USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 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 : amide:sc= -5.22! C(o=-5.8!,f=-3.8!) USER MOD Set 1.2: A 272 MET CE :methyl 161:sc= -0.601 (180deg=-1.03) USER MOD Set 2.1: A 233 ASN : amide:sc= -3.35! C(o=-8.2!,f=-12!) USER MOD Set 2.2: A 236 ASN : amide:sc= -4.83! C(o=-8.2!,f=-13!) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 GLN : amide:sc= -1.25 K(o=-1.2,f=-4.6!) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 228 ASN : amide:sc= -0.853 K(o=-0.85,f=0) USER MOD Single : A 229 THR OG1 : rot 49:sc= 1.16 USER MOD Single : A 235 GLN : amide:sc= -0.0151 K(o=-0.015,f=-0.8) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00498) USER MOD Single : A 250 ASN : amide:sc= -2.87 K(o=-2.9,f=-9.4!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 1.08 (180deg=1.08) USER MOD Single : A 255 THR OG1 : rot 47:sc= 0.878 USER MOD Single : A 266 LYS NZ :NH3+ -133:sc= 1.3 (180deg=0.723) USER MOD Single : A 268 THR OG1 : rot -24:sc= 0.668 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 : amide:sc= -1.81! K(o=-1.8!,f=-0.52) USER MOD Single : A 280 CYS SG : rot -42:sc= -18.9! USER MOD Single : A 281 ASN : amide:sc= -0.82 K(o=-0.82,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.68 K(o=-0.68,f=-2.3!) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 291 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.68) USER MOD Single : A 297 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 10.551 5.283 -0.649 1.00 4.69 N ATOM 2 CA GLY A 220 10.628 4.301 0.462 1.00 4.23 C ATOM 3 C GLY A 220 10.612 2.875 -0.044 1.00 3.74 C ATOM 4 O GLY A 220 9.547 2.304 -0.222 1.00 3.79 O ATOM 0 HA2 GLY A 220 11.539 4.473 1.036 1.00 4.23 H new ATOM 0 HA3 GLY A 220 9.790 4.455 1.141 1.00 4.23 H new ATOM 10 N PRO A 221 11.796 2.300 -0.338 1.00 3.49 N ATOM 11 CA PRO A 221 11.952 0.906 -0.777 1.00 3.23 C ATOM 12 C PRO A 221 10.971 -0.087 -0.134 1.00 2.59 C ATOM 13 O PRO A 221 10.248 -0.811 -0.822 1.00 2.75 O ATOM 14 CB PRO A 221 13.379 0.614 -0.317 1.00 3.34 C ATOM 15 CG PRO A 221 14.105 1.890 -0.560 1.00 3.90 C ATOM 16 CD PRO A 221 13.106 2.992 -0.314 1.00 3.80 C ATOM 0 HA PRO A 221 11.753 0.790 -1.842 1.00 3.23 H new ATOM 0 HB2 PRO A 221 13.409 0.332 0.735 1.00 3.34 H new ATOM 0 HB3 PRO A 221 13.819 -0.209 -0.880 1.00 3.34 H new ATOM 0 HG2 PRO A 221 14.962 1.984 0.107 1.00 3.90 H new ATOM 0 HG3 PRO A 221 14.489 1.932 -1.579 1.00 3.90 H new ATOM 0 HD2 PRO A 221 13.281 3.483 0.643 1.00 3.80 H new ATOM 0 HD3 PRO A 221 13.164 3.763 -1.083 1.00 3.80 H new ATOM 24 N TYR A 222 10.956 -0.092 1.177 1.00 2.37 N ATOM 25 CA TYR A 222 10.219 -1.062 1.969 1.00 2.06 C ATOM 26 C TYR A 222 9.929 -0.419 3.308 1.00 2.25 C ATOM 27 O TYR A 222 10.250 0.762 3.464 1.00 2.77 O ATOM 28 CB TYR A 222 10.989 -2.385 2.119 1.00 2.28 C ATOM 29 CG TYR A 222 12.423 -2.244 2.584 1.00 2.92 C ATOM 30 CD1 TYR A 222 12.736 -2.197 3.936 1.00 3.39 C ATOM 31 CD2 TYR A 222 13.465 -2.176 1.669 1.00 3.43 C ATOM 32 CE1 TYR A 222 14.043 -2.082 4.362 1.00 4.22 C ATOM 33 CE2 TYR A 222 14.777 -2.064 2.087 1.00 4.30 C ATOM 34 CZ TYR A 222 15.060 -2.017 3.433 1.00 4.65 C ATOM 35 OH TYR A 222 16.364 -1.911 3.856 1.00 5.60 O ATOM 0 H TYR A 222 11.464 0.590 1.740 1.00 2.37 H new ATOM 0 HA TYR A 222 9.287 -1.327 1.470 1.00 2.06 H new ATOM 0 HB2 TYR A 222 10.455 -3.020 2.826 1.00 2.28 H new ATOM 0 HB3 TYR A 222 10.984 -2.901 1.159 1.00 2.28 H new ATOM 0 HD1 TYR A 222 11.943 -2.251 4.667 1.00 3.39 H new ATOM 0 HD2 TYR A 222 13.246 -2.211 0.612 1.00 3.43 H new ATOM 0 HE1 TYR A 222 14.269 -2.043 5.417 1.00 4.22 H new ATOM 0 HE2 TYR A 222 15.576 -2.014 1.362 1.00 4.30 H new ATOM 0 HH TYR A 222 16.959 -1.877 3.078 1.00 5.60 H new ATOM 45 N ALA A 223 9.256 -1.132 4.225 1.00 2.49 N ATOM 46 CA ALA A 223 8.999 -0.602 5.572 1.00 2.89 C ATOM 47 C ALA A 223 10.218 0.189 6.037 1.00 2.33 C ATOM 48 O ALA A 223 11.351 -0.247 5.823 1.00 2.21 O ATOM 49 CB ALA A 223 8.692 -1.734 6.539 1.00 3.84 C ATOM 0 H ALA A 223 8.884 -2.067 4.060 1.00 2.49 H new ATOM 0 HA ALA A 223 8.132 0.057 5.544 1.00 2.89 H new ATOM 0 HB1 ALA A 223 8.504 -1.324 7.531 1.00 3.84 H new ATOM 0 HB2 ALA A 223 7.810 -2.275 6.197 1.00 3.84 H new ATOM 0 HB3 ALA A 223 9.542 -2.416 6.583 1.00 3.84 H new ATOM 55 N GLN A 224 9.981 1.289 6.747 1.00 2.43 N ATOM 56 CA GLN A 224 10.821 2.484 6.620 1.00 2.08 C ATOM 57 C GLN A 224 12.311 2.175 6.577 1.00 1.83 C ATOM 58 O GLN A 224 12.905 1.705 7.546 1.00 2.07 O ATOM 59 CB GLN A 224 10.530 3.488 7.740 1.00 2.42 C ATOM 60 CG GLN A 224 10.783 2.969 9.143 1.00 2.85 C ATOM 61 CD GLN A 224 10.999 4.092 10.135 1.00 3.37 C ATOM 62 OE1 GLN A 224 11.515 5.154 9.781 1.00 4.07 O ATOM 63 NE2 GLN A 224 10.606 3.870 11.375 1.00 3.48 N ATOM 0 H GLN A 224 9.216 1.381 7.416 1.00 2.43 H new ATOM 0 HA GLN A 224 10.558 2.926 5.659 1.00 2.08 H new ATOM 0 HB2 GLN A 224 11.142 4.376 7.581 1.00 2.42 H new ATOM 0 HB3 GLN A 224 9.489 3.801 7.666 1.00 2.42 H new ATOM 0 HG2 GLN A 224 9.936 2.361 9.463 1.00 2.85 H new ATOM 0 HG3 GLN A 224 11.658 2.319 9.136 1.00 2.85 H new ATOM 0 HE21 GLN A 224 10.183 2.976 11.624 1.00 3.48 H new ATOM 0 HE22 GLN A 224 10.725 4.593 12.085 1.00 3.48 H new ATOM 72 N PRO A 225 12.925 2.447 5.405 1.00 1.72 N ATOM 73 CA PRO A 225 14.368 2.342 5.213 1.00 1.92 C ATOM 74 C PRO A 225 15.108 3.480 5.928 1.00 2.14 C ATOM 75 O PRO A 225 16.172 3.912 5.486 1.00 2.66 O ATOM 76 CB PRO A 225 14.568 2.442 3.691 1.00 2.14 C ATOM 77 CG PRO A 225 13.227 2.660 3.075 1.00 2.04 C ATOM 78 CD PRO A 225 12.228 2.860 4.177 1.00 1.87 C ATOM 0 HA PRO A 225 14.765 1.415 5.626 1.00 1.92 H new ATOM 0 HB2 PRO A 225 15.240 3.264 3.446 1.00 2.14 H new ATOM 0 HB3 PRO A 225 15.024 1.531 3.304 1.00 2.14 H new ATOM 0 HG2 PRO A 225 13.248 3.530 2.419 1.00 2.04 H new ATOM 0 HG3 PRO A 225 12.948 1.804 2.460 1.00 2.04 H new ATOM 0 HD2 PRO A 225 11.909 3.901 4.236 1.00 1.87 H new ATOM 0 HD3 PRO A 225 11.333 2.261 4.011 1.00 1.87 H new ATOM 86 N SER A 226 14.499 3.957 7.029 1.00 1.95 N ATOM 87 CA SER A 226 15.044 5.008 7.899 1.00 2.16 C ATOM 88 C SER A 226 14.651 6.403 7.415 1.00 2.03 C ATOM 89 O SER A 226 15.028 7.403 8.021 1.00 2.18 O ATOM 90 CB SER A 226 16.564 4.898 8.051 1.00 2.66 C ATOM 91 OG SER A 226 16.940 3.597 8.478 1.00 3.31 O ATOM 0 H SER A 226 13.592 3.612 7.343 1.00 1.95 H new ATOM 0 HA SER A 226 14.601 4.855 8.883 1.00 2.16 H new ATOM 0 HB2 SER A 226 17.046 5.126 7.100 1.00 2.66 H new ATOM 0 HB3 SER A 226 16.915 5.637 8.771 1.00 2.66 H new ATOM 0 HG SER A 226 17.915 3.551 8.566 1.00 3.31 H new ATOM 97 N ILE A 227 13.860 6.470 6.351 1.00 1.95 N ATOM 98 CA ILE A 227 13.393 7.755 5.834 1.00 2.10 C ATOM 99 C ILE A 227 12.090 8.181 6.544 1.00 2.00 C ATOM 100 O ILE A 227 11.490 9.203 6.218 1.00 2.30 O ATOM 101 CB ILE A 227 13.201 7.719 4.280 1.00 2.25 C ATOM 102 CG1 ILE A 227 14.516 7.387 3.569 1.00 2.55 C ATOM 103 CG2 ILE A 227 12.679 9.038 3.736 1.00 2.41 C ATOM 104 CD1 ILE A 227 14.782 5.912 3.417 1.00 2.87 C ATOM 0 H ILE A 227 13.529 5.657 5.831 1.00 1.95 H new ATOM 0 HA ILE A 227 14.161 8.498 6.046 1.00 2.10 H new ATOM 0 HB ILE A 227 12.464 6.940 4.084 1.00 2.25 H new ATOM 0 HG12 ILE A 227 14.508 7.847 2.581 1.00 2.55 H new ATOM 0 HG13 ILE A 227 15.339 7.838 4.123 1.00 2.55 H new ATOM 0 HG21 ILE A 227 12.562 8.965 2.655 1.00 2.41 H new ATOM 0 HG22 ILE A 227 11.714 9.263 4.191 1.00 2.41 H new ATOM 0 HG23 ILE A 227 13.386 9.834 3.971 1.00 2.41 H new ATOM 0 HD11 ILE A 227 15.732 5.765 2.904 1.00 2.87 H new ATOM 0 HD12 ILE A 227 14.826 5.447 4.402 1.00 2.87 H new ATOM 0 HD13 ILE A 227 13.981 5.456 2.835 1.00 2.87 H new ATOM 116 N ASN A 228 11.682 7.402 7.554 1.00 1.79 N ATOM 117 CA ASN A 228 10.435 7.665 8.309 1.00 1.83 C ATOM 118 C ASN A 228 9.214 7.364 7.464 1.00 1.88 C ATOM 119 O ASN A 228 8.118 7.852 7.729 1.00 2.30 O ATOM 120 CB ASN A 228 10.355 9.120 8.800 1.00 2.31 C ATOM 121 CG ASN A 228 11.103 9.365 10.099 1.00 2.87 C ATOM 122 OD1 ASN A 228 10.747 10.253 10.874 1.00 3.55 O ATOM 123 ND2 ASN A 228 12.146 8.588 10.350 1.00 3.10 N ATOM 0 H ASN A 228 12.195 6.580 7.873 1.00 1.79 H new ATOM 0 HA ASN A 228 10.454 7.004 9.176 1.00 1.83 H new ATOM 0 HB2 ASN A 228 10.757 9.777 8.029 1.00 2.31 H new ATOM 0 HB3 ASN A 228 9.308 9.392 8.936 1.00 2.31 H new ATOM 0 HD21 ASN A 228 12.682 8.716 11.208 1.00 3.10 H new ATOM 0 HD22 ASN A 228 12.413 7.862 9.685 1.00 3.10 H new ATOM 130 N THR A 229 9.401 6.533 6.467 1.00 2.19 N ATOM 131 CA THR A 229 8.356 6.265 5.502 1.00 2.52 C ATOM 132 C THR A 229 8.175 4.763 5.300 1.00 2.03 C ATOM 133 O THR A 229 8.864 4.165 4.468 1.00 2.87 O ATOM 134 CB THR A 229 8.708 6.909 4.143 1.00 3.92 C ATOM 135 OG1 THR A 229 9.881 6.291 3.591 1.00 4.47 O ATOM 136 CG2 THR A 229 8.972 8.395 4.282 1.00 4.68 C ATOM 0 H THR A 229 10.271 6.027 6.300 1.00 2.19 H new ATOM 0 HA THR A 229 7.429 6.691 5.887 1.00 2.52 H new ATOM 0 HB THR A 229 7.852 6.760 3.484 1.00 3.92 H new ATOM 0 HG1 THR A 229 9.784 5.316 3.626 1.00 4.47 H new ATOM 0 HG21 THR A 229 9.216 8.814 3.306 1.00 4.68 H new ATOM 0 HG22 THR A 229 8.083 8.887 4.676 1.00 4.68 H new ATOM 0 HG23 THR A 229 9.807 8.554 4.964 1.00 4.68 H new ATOM 144 N PRO A 230 7.294 4.093 6.052 1.00 1.09 N ATOM 145 CA PRO A 230 7.104 2.680 5.834 1.00 1.06 C ATOM 146 C PRO A 230 5.911 2.353 4.944 1.00 1.08 C ATOM 147 O PRO A 230 4.775 2.203 5.409 1.00 1.84 O ATOM 148 CB PRO A 230 6.842 2.199 7.261 1.00 1.66 C ATOM 149 CG PRO A 230 6.158 3.349 7.949 1.00 1.77 C ATOM 150 CD PRO A 230 6.490 4.604 7.167 1.00 1.32 C ATOM 0 HA PRO A 230 7.947 2.218 5.321 1.00 1.06 H new ATOM 0 HB2 PRO A 230 6.214 1.308 7.267 1.00 1.66 H new ATOM 0 HB3 PRO A 230 7.772 1.937 7.765 1.00 1.66 H new ATOM 0 HG2 PRO A 230 5.080 3.191 7.982 1.00 1.77 H new ATOM 0 HG3 PRO A 230 6.499 3.437 8.980 1.00 1.77 H new ATOM 0 HD2 PRO A 230 5.591 5.112 6.817 1.00 1.32 H new ATOM 0 HD3 PRO A 230 7.046 5.321 7.771 1.00 1.32 H new ATOM 158 N LEU A 231 6.186 2.300 3.655 1.00 1.29 N ATOM 159 CA LEU A 231 5.456 1.517 2.689 1.00 1.31 C ATOM 160 C LEU A 231 6.491 1.086 1.646 1.00 0.89 C ATOM 161 O LEU A 231 7.530 1.736 1.558 1.00 1.38 O ATOM 162 CB LEU A 231 4.314 2.342 2.101 1.00 2.04 C ATOM 163 CG LEU A 231 3.088 1.548 1.630 1.00 2.75 C ATOM 164 CD1 LEU A 231 2.529 0.687 2.751 1.00 3.41 C ATOM 165 CD2 LEU A 231 2.013 2.485 1.108 1.00 3.64 C ATOM 0 H LEU A 231 6.956 2.824 3.240 1.00 1.29 H new ATOM 0 HA LEU A 231 4.980 0.638 3.123 1.00 1.31 H new ATOM 0 HB2 LEU A 231 3.989 3.064 2.850 1.00 2.04 H new ATOM 0 HB3 LEU A 231 4.701 2.912 1.256 1.00 2.04 H new ATOM 0 HG LEU A 231 3.408 0.892 0.821 1.00 2.75 H new ATOM 0 HD11 LEU A 231 1.661 0.136 2.388 1.00 3.41 H new ATOM 0 HD12 LEU A 231 3.292 -0.016 3.085 1.00 3.41 H new ATOM 0 HD13 LEU A 231 2.232 1.323 3.585 1.00 3.41 H new ATOM 0 HD21 LEU A 231 1.152 1.903 0.779 1.00 3.64 H new ATOM 0 HD22 LEU A 231 1.708 3.167 1.902 1.00 3.64 H new ATOM 0 HD23 LEU A 231 2.406 3.058 0.268 1.00 3.64 H new ATOM 177 N PRO A 232 6.286 0.013 0.873 1.00 1.28 N ATOM 178 CA PRO A 232 7.219 -0.352 -0.206 1.00 1.64 C ATOM 179 C PRO A 232 7.127 0.581 -1.425 1.00 1.09 C ATOM 180 O PRO A 232 6.154 1.318 -1.584 1.00 1.25 O ATOM 181 CB PRO A 232 6.806 -1.778 -0.581 1.00 2.66 C ATOM 182 CG PRO A 232 5.825 -2.211 0.460 1.00 2.98 C ATOM 183 CD PRO A 232 5.201 -0.959 1.002 1.00 2.18 C ATOM 0 HA PRO A 232 8.255 -0.270 0.122 1.00 1.64 H new ATOM 0 HB2 PRO A 232 6.358 -1.806 -1.574 1.00 2.66 H new ATOM 0 HB3 PRO A 232 7.670 -2.442 -0.602 1.00 2.66 H new ATOM 0 HG2 PRO A 232 5.068 -2.868 0.031 1.00 2.98 H new ATOM 0 HG3 PRO A 232 6.321 -2.772 1.252 1.00 2.98 H new ATOM 0 HD2 PRO A 232 4.321 -0.664 0.431 1.00 2.18 H new ATOM 0 HD3 PRO A 232 4.884 -1.079 2.038 1.00 2.18 H new ATOM 191 N ASN A 233 8.150 0.543 -2.288 1.00 0.77 N ATOM 192 CA ASN A 233 8.215 1.412 -3.450 1.00 0.98 C ATOM 193 C ASN A 233 7.467 0.850 -4.654 1.00 0.61 C ATOM 194 O ASN A 233 7.396 -0.365 -4.857 1.00 1.31 O ATOM 195 CB ASN A 233 9.668 1.602 -3.883 1.00 2.09 C ATOM 196 CG ASN A 233 10.353 2.830 -3.325 1.00 2.85 C ATOM 197 OD1 ASN A 233 9.717 3.793 -2.919 1.00 3.08 O ATOM 198 ND2 ASN A 233 11.678 2.812 -3.345 1.00 3.66 N ATOM 0 H ASN A 233 8.946 -0.088 -2.194 1.00 0.77 H new ATOM 0 HA ASN A 233 7.752 2.351 -3.146 1.00 0.98 H new ATOM 0 HB2 ASN A 233 10.237 0.722 -3.585 1.00 2.09 H new ATOM 0 HB3 ASN A 233 9.702 1.650 -4.971 1.00 2.09 H new ATOM 0 HD21 ASN A 233 12.204 3.621 -3.014 1.00 3.66 H new ATOM 0 HD22 ASN A 233 12.172 1.989 -3.691 1.00 3.66 H new ATOM 205 N LEU A 234 6.933 1.763 -5.456 1.00 0.89 N ATOM 206 CA LEU A 234 6.567 1.481 -6.843 1.00 0.65 C ATOM 207 C LEU A 234 7.825 1.023 -7.560 1.00 0.63 C ATOM 208 O LEU A 234 7.823 0.097 -8.365 1.00 0.85 O ATOM 209 CB LEU A 234 6.034 2.780 -7.468 1.00 0.57 C ATOM 210 CG LEU A 234 5.594 2.775 -8.941 1.00 0.55 C ATOM 211 CD1 LEU A 234 6.784 2.945 -9.874 1.00 0.90 C ATOM 212 CD2 LEU A 234 4.829 1.515 -9.289 1.00 0.86 C ATOM 0 H LEU A 234 6.740 2.721 -5.165 1.00 0.89 H new ATOM 0 HA LEU A 234 5.800 0.710 -6.916 1.00 0.65 H new ATOM 0 HB2 LEU A 234 5.182 3.106 -6.872 1.00 0.57 H new ATOM 0 HB3 LEU A 234 6.809 3.539 -7.359 1.00 0.57 H new ATOM 0 HG LEU A 234 4.926 3.625 -9.078 1.00 0.55 H new ATOM 0 HD11 LEU A 234 6.440 2.937 -10.908 1.00 0.90 H new ATOM 0 HD12 LEU A 234 7.279 3.893 -9.663 1.00 0.90 H new ATOM 0 HD13 LEU A 234 7.487 2.127 -9.720 1.00 0.90 H new ATOM 0 HD21 LEU A 234 4.534 1.546 -10.338 1.00 0.86 H new ATOM 0 HD22 LEU A 234 5.463 0.645 -9.116 1.00 0.86 H new ATOM 0 HD23 LEU A 234 3.939 1.445 -8.664 1.00 0.86 H new ATOM 224 N GLN A 235 8.890 1.715 -7.214 1.00 0.59 N ATOM 225 CA GLN A 235 10.224 1.453 -7.651 1.00 0.72 C ATOM 226 C GLN A 235 10.624 -0.003 -7.490 1.00 0.76 C ATOM 227 O GLN A 235 11.086 -0.648 -8.432 1.00 0.99 O ATOM 228 CB GLN A 235 11.073 2.318 -6.762 1.00 0.79 C ATOM 229 CG GLN A 235 11.920 3.311 -7.506 1.00 1.06 C ATOM 230 CD GLN A 235 13.365 2.877 -7.629 1.00 1.32 C ATOM 231 OE1 GLN A 235 13.668 1.682 -7.637 1.00 1.98 O ATOM 232 NE2 GLN A 235 14.266 3.837 -7.735 1.00 1.70 N ATOM 0 H GLN A 235 8.833 2.517 -6.586 1.00 0.59 H new ATOM 0 HA GLN A 235 10.336 1.665 -8.714 1.00 0.72 H new ATOM 0 HB2 GLN A 235 10.426 2.855 -6.069 1.00 0.79 H new ATOM 0 HB3 GLN A 235 11.722 1.679 -6.163 1.00 0.79 H new ATOM 0 HG2 GLN A 235 11.505 3.461 -8.503 1.00 1.06 H new ATOM 0 HG3 GLN A 235 11.877 4.273 -6.995 1.00 1.06 H new ATOM 0 HE21 GLN A 235 13.974 4.814 -7.724 1.00 1.70 H new ATOM 0 HE22 GLN A 235 15.254 3.601 -7.828 1.00 1.70 H new ATOM 241 N ASN A 236 10.444 -0.501 -6.284 1.00 0.64 N ATOM 242 CA ASN A 236 10.874 -1.835 -5.933 1.00 0.65 C ATOM 243 C ASN A 236 10.002 -2.880 -6.617 1.00 0.57 C ATOM 244 O ASN A 236 10.492 -3.923 -7.040 1.00 0.61 O ATOM 245 CB ASN A 236 10.840 -2.022 -4.413 1.00 0.75 C ATOM 246 CG ASN A 236 11.861 -1.174 -3.660 1.00 0.95 C ATOM 247 OD1 ASN A 236 12.237 -0.088 -4.097 1.00 1.48 O ATOM 248 ND2 ASN A 236 12.307 -1.662 -2.506 1.00 1.06 N ATOM 0 H ASN A 236 9.996 0.008 -5.522 1.00 0.64 H new ATOM 0 HA ASN A 236 11.899 -1.967 -6.278 1.00 0.65 H new ATOM 0 HB2 ASN A 236 9.842 -1.778 -4.050 1.00 0.75 H new ATOM 0 HB3 ASN A 236 11.015 -3.073 -4.183 1.00 0.75 H new ATOM 0 HD21 ASN A 236 12.982 -1.132 -1.955 1.00 1.06 H new ATOM 0 HD22 ASN A 236 11.974 -2.567 -2.172 1.00 1.06 H new ATOM 255 N GLY A 237 8.715 -2.585 -6.735 1.00 0.55 N ATOM 256 CA GLY A 237 7.794 -3.508 -7.351 1.00 0.52 C ATOM 257 C GLY A 237 7.133 -2.925 -8.601 1.00 0.52 C ATOM 258 O GLY A 237 7.745 -2.911 -9.670 1.00 0.65 O ATOM 0 H GLY A 237 8.293 -1.715 -6.411 1.00 0.55 H new ATOM 0 HA2 GLY A 237 8.324 -4.423 -7.617 1.00 0.52 H new ATOM 0 HA3 GLY A 237 7.024 -3.783 -6.631 1.00 0.52 H new ATOM 262 N PRO A 238 5.877 -2.438 -8.499 1.00 0.40 N ATOM 263 CA PRO A 238 5.119 -2.418 -7.254 1.00 0.28 C ATOM 264 C PRO A 238 4.754 -3.764 -6.786 1.00 0.28 C ATOM 265 O PRO A 238 4.367 -4.664 -7.533 1.00 0.41 O ATOM 266 CB PRO A 238 3.903 -1.564 -7.570 1.00 0.25 C ATOM 267 CG PRO A 238 3.699 -1.754 -9.015 1.00 0.59 C ATOM 268 CD PRO A 238 5.089 -1.864 -9.601 1.00 0.43 C ATOM 0 HA PRO A 238 5.705 -2.012 -6.429 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.032 -1.884 -6.999 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.077 -0.516 -7.326 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.115 -2.652 -9.215 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.154 -0.916 -9.449 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.104 -2.505 -10.483 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.475 -0.892 -9.907 1.00 0.43 H new ATOM 276 N PHE A 239 4.929 -3.868 -5.512 1.00 0.24 N ATOM 277 CA PHE A 239 4.817 -5.113 -4.846 1.00 0.26 C ATOM 278 C PHE A 239 3.359 -5.430 -4.653 1.00 0.22 C ATOM 279 O PHE A 239 2.530 -4.526 -4.601 1.00 0.26 O ATOM 280 CB PHE A 239 5.499 -5.071 -3.483 1.00 0.38 C ATOM 281 CG PHE A 239 7.004 -5.034 -3.481 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.748 -5.857 -4.306 1.00 0.56 C ATOM 283 CD2 PHE A 239 7.671 -4.209 -2.595 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.130 -5.852 -4.248 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.048 -4.193 -2.539 1.00 0.79 C ATOM 286 CZ PHE A 239 9.778 -5.016 -3.365 1.00 0.78 C ATOM 0 H PHE A 239 5.156 -3.082 -4.902 1.00 0.24 H new ATOM 0 HA PHE A 239 5.303 -5.877 -5.452 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.136 -4.193 -2.948 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.179 -5.945 -2.915 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.245 -6.511 -5.003 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.105 -3.567 -1.937 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.701 -6.503 -4.894 1.00 0.71 H new ATOM 0 HE2 PHE A 239 9.553 -3.535 -1.847 1.00 0.79 H new ATOM 0 HZ PHE A 239 10.857 -5.007 -3.321 1.00 0.78 H new ATOM 296 N TYR A 240 3.039 -6.689 -4.523 1.00 0.22 N ATOM 297 CA TYR A 240 1.741 -7.048 -4.095 1.00 0.21 C ATOM 298 C TYR A 240 1.884 -7.106 -2.613 1.00 0.19 C ATOM 299 O TYR A 240 2.983 -7.337 -2.139 1.00 0.23 O ATOM 300 CB TYR A 240 1.326 -8.403 -4.667 1.00 0.24 C ATOM 301 CG TYR A 240 0.693 -8.363 -6.040 1.00 0.36 C ATOM 302 CD1 TYR A 240 0.401 -7.165 -6.678 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.378 -9.546 -6.695 1.00 0.64 C ATOM 304 CE1 TYR A 240 -0.182 -7.148 -7.931 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.202 -9.537 -7.944 1.00 0.79 C ATOM 306 CZ TYR A 240 -0.482 -8.337 -8.558 1.00 0.69 C ATOM 307 OH TYR A 240 -1.061 -8.327 -9.808 1.00 0.88 O ATOM 0 H TYR A 240 3.666 -7.471 -4.710 1.00 0.22 H new ATOM 0 HA TYR A 240 0.970 -6.351 -4.424 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.206 -9.045 -4.710 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.624 -8.870 -3.976 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.633 -6.231 -6.187 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.592 -10.490 -6.216 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -0.401 -6.208 -8.416 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -0.436 -10.467 -8.440 1.00 0.79 H new ATOM 0 HH TYR A 240 -1.206 -9.248 -10.109 1.00 0.88 H new ATOM 317 N ALA A 241 0.872 -6.798 -1.876 1.00 0.14 N ATOM 318 CA ALA A 241 0.967 -6.966 -0.466 1.00 0.15 C ATOM 319 C ALA A 241 -0.344 -7.406 0.121 1.00 0.11 C ATOM 320 O ALA A 241 -1.368 -6.807 -0.124 1.00 0.12 O ATOM 321 CB ALA A 241 1.473 -5.690 0.179 1.00 0.24 C ATOM 0 H ALA A 241 -0.017 -6.434 -2.218 1.00 0.14 H new ATOM 0 HA ALA A 241 1.687 -7.758 -0.258 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.542 -5.830 1.258 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.458 -5.447 -0.219 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.783 -4.874 -0.038 1.00 0.24 H new ATOM 327 N ARG A 242 -0.307 -8.433 0.927 1.00 0.10 N ATOM 328 CA ARG A 242 -1.518 -8.963 1.482 1.00 0.08 C ATOM 329 C ARG A 242 -1.977 -8.061 2.615 1.00 0.08 C ATOM 330 O ARG A 242 -1.384 -8.060 3.693 1.00 0.11 O ATOM 331 CB ARG A 242 -1.285 -10.359 2.032 1.00 0.10 C ATOM 332 CG ARG A 242 -2.506 -11.002 2.696 1.00 0.10 C ATOM 333 CD ARG A 242 -3.441 -11.643 1.694 1.00 0.11 C ATOM 334 NE ARG A 242 -2.749 -12.536 0.766 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.239 -12.897 -0.418 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.419 -12.435 -0.817 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.554 -13.724 -1.197 1.00 0.43 N ATOM 0 H ARG A 242 0.545 -8.916 1.211 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.274 -9.011 0.699 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.950 -11.003 1.219 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.474 -10.317 2.759 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.173 -11.755 3.410 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -3.049 -10.245 3.262 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.209 -12.204 2.227 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -3.951 -10.863 1.129 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.838 -12.904 1.042 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -4.949 -11.804 -0.216 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -4.795 -12.711 -1.724 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.651 -14.084 -0.889 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -2.931 -14.000 -2.104 1.00 0.43 H new ATOM 351 N VAL A 243 -3.002 -7.276 2.368 1.00 0.07 N ATOM 352 CA VAL A 243 -3.546 -6.422 3.383 1.00 0.08 C ATOM 353 C VAL A 243 -4.076 -7.268 4.518 1.00 0.11 C ATOM 354 O VAL A 243 -4.671 -8.314 4.289 1.00 0.14 O ATOM 355 CB VAL A 243 -4.673 -5.522 2.828 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.659 -6.316 1.989 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.403 -4.859 3.966 1.00 0.18 C ATOM 0 H VAL A 243 -3.473 -7.216 1.465 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.750 -5.771 3.743 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.214 -4.767 2.190 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.437 -5.651 1.615 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.137 -6.772 1.148 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.112 -7.096 2.601 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.196 -4.226 3.569 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.837 -5.621 4.613 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.705 -4.250 4.540 1.00 0.18 H new ATOM 367 N ILE A 244 -3.850 -6.835 5.739 1.00 0.12 N ATOM 368 CA ILE A 244 -4.348 -7.590 6.878 1.00 0.16 C ATOM 369 C ILE A 244 -5.230 -6.751 7.741 1.00 0.13 C ATOM 370 O ILE A 244 -5.701 -7.217 8.765 1.00 0.17 O ATOM 371 CB ILE A 244 -3.263 -8.147 7.800 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.196 -7.087 8.047 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.709 -9.420 7.228 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.501 -7.203 9.382 1.00 0.61 C ATOM 0 H ILE A 244 -3.337 -5.984 5.971 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.882 -8.421 6.417 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.688 -8.398 8.772 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.449 -7.149 7.255 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.656 -6.102 7.975 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -1.937 -9.811 7.890 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.509 -10.154 7.131 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.279 -9.221 6.247 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.758 -6.411 9.475 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.234 -7.109 10.183 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.008 -8.173 9.453 1.00 0.61 H new ATOM 386 N GLN A 245 -5.414 -5.516 7.333 1.00 0.11 N ATOM 387 CA GLN A 245 -6.265 -4.575 8.039 1.00 0.12 C ATOM 388 C GLN A 245 -6.424 -3.335 7.205 1.00 0.11 C ATOM 389 O GLN A 245 -5.554 -2.471 7.158 1.00 0.12 O ATOM 390 CB GLN A 245 -5.702 -4.216 9.419 1.00 0.15 C ATOM 391 CG GLN A 245 -6.132 -5.169 10.518 1.00 0.21 C ATOM 392 CD GLN A 245 -5.854 -4.635 11.907 1.00 0.33 C ATOM 393 OE1 GLN A 245 -4.779 -4.856 12.466 1.00 1.05 O ATOM 394 NE2 GLN A 245 -6.819 -3.935 12.478 1.00 1.20 N ATOM 0 H GLN A 245 -4.976 -5.130 6.497 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.235 -5.046 8.200 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.613 -4.204 9.366 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -6.020 -3.207 9.680 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.199 -5.371 10.419 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.614 -6.120 10.390 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.695 -3.774 11.981 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -6.688 -3.556 13.416 1.00 1.20 H new ATOM 403 N LYS A 246 -7.508 -3.298 6.488 1.00 0.12 N ATOM 404 CA LYS A 246 -7.858 -2.151 5.702 1.00 0.12 C ATOM 405 C LYS A 246 -9.340 -1.908 5.884 1.00 0.15 C ATOM 406 O LYS A 246 -10.065 -2.792 6.344 1.00 0.19 O ATOM 407 CB LYS A 246 -7.473 -2.431 4.261 1.00 0.12 C ATOM 408 CG LYS A 246 -7.167 -1.229 3.354 1.00 0.13 C ATOM 409 CD LYS A 246 -5.812 -1.413 2.697 1.00 0.14 C ATOM 410 CE LYS A 246 -4.727 -0.853 3.545 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.387 -1.020 2.915 1.00 0.21 N ATOM 0 H LYS A 246 -8.177 -4.065 6.431 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.330 -1.248 6.010 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.595 -3.077 4.269 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.283 -2.999 3.802 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.940 -1.130 2.592 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.176 -0.309 3.939 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.630 -2.473 2.521 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.807 -0.923 1.723 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.915 0.206 3.723 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.735 -1.346 4.517 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.655 -0.647 3.553 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.210 -2.029 2.737 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.359 -0.500 2.015 1.00 0.21 H new ATOM 425 N ARG A 247 -9.784 -0.741 5.539 1.00 0.16 N ATOM 426 CA ARG A 247 -11.168 -0.392 5.671 1.00 0.16 C ATOM 427 C ARG A 247 -11.804 -0.561 4.313 1.00 0.14 C ATOM 428 O ARG A 247 -11.094 -0.795 3.337 1.00 0.14 O ATOM 429 CB ARG A 247 -11.296 1.049 6.154 1.00 0.17 C ATOM 430 CG ARG A 247 -11.022 2.075 5.069 1.00 0.18 C ATOM 431 CD ARG A 247 -11.125 3.500 5.576 1.00 0.23 C ATOM 432 NE ARG A 247 -12.517 3.921 5.699 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.899 5.139 6.076 1.00 0.63 C ATOM 434 NH1 ARG A 247 -11.990 6.066 6.346 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.189 5.433 6.172 1.00 0.63 N ATOM 0 H ARG A 247 -9.197 0.001 5.156 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.666 -1.030 6.402 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.301 1.205 6.546 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.603 1.211 6.980 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -10.025 1.910 4.661 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.729 1.932 4.252 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.632 3.580 6.545 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.599 4.169 4.895 1.00 0.23 H new ATOM 0 HE ARG A 247 -13.243 3.238 5.482 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -10.997 5.846 6.265 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -12.283 6.999 6.635 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.891 4.725 5.957 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.479 6.367 6.461 1.00 0.63 H new ATOM 449 N VAL A 248 -13.117 -0.526 4.232 1.00 0.15 N ATOM 450 CA VAL A 248 -13.744 -0.365 2.951 1.00 0.15 C ATOM 451 C VAL A 248 -14.100 1.107 2.743 1.00 0.14 C ATOM 452 O VAL A 248 -15.152 1.580 3.178 1.00 0.16 O ATOM 453 CB VAL A 248 -14.980 -1.275 2.793 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.842 -0.819 1.634 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.538 -2.709 2.575 1.00 0.21 C ATOM 0 H VAL A 248 -13.755 -0.606 5.024 1.00 0.15 H new ATOM 0 HA VAL A 248 -13.039 -0.673 2.179 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.572 -1.213 3.706 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.707 -1.476 1.543 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.179 0.202 1.811 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.261 -0.854 0.712 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.415 -3.347 2.464 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.929 -2.769 1.673 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.952 -3.043 3.431 1.00 0.21 H new ATOM 465 N PRO A 249 -13.166 1.865 2.150 1.00 0.13 N ATOM 466 CA PRO A 249 -13.383 3.201 1.692 1.00 0.15 C ATOM 467 C PRO A 249 -13.701 3.171 0.210 1.00 0.16 C ATOM 468 O PRO A 249 -14.410 2.286 -0.271 1.00 0.17 O ATOM 469 CB PRO A 249 -12.021 3.874 1.940 1.00 0.16 C ATOM 470 CG PRO A 249 -11.026 2.760 2.036 1.00 0.14 C ATOM 471 CD PRO A 249 -11.794 1.487 1.877 1.00 0.13 C ATOM 0 HA PRO A 249 -14.207 3.717 2.186 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.768 4.555 1.128 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -12.037 4.463 2.857 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.265 2.853 1.261 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.509 2.784 2.995 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.685 1.079 0.872 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.446 0.722 2.571 1.00 0.13 H new ATOM 479 N ASN A 250 -13.178 4.139 -0.498 1.00 0.17 N ATOM 480 CA ASN A 250 -13.150 4.109 -1.945 1.00 0.20 C ATOM 481 C ASN A 250 -12.203 5.163 -2.452 1.00 0.21 C ATOM 482 O ASN A 250 -11.635 5.932 -1.674 1.00 0.19 O ATOM 483 CB ASN A 250 -14.534 4.307 -2.575 1.00 0.24 C ATOM 484 CG ASN A 250 -15.344 5.398 -1.905 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.231 6.565 -2.254 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.174 5.024 -0.945 1.00 1.28 N ATOM 0 H ASN A 250 -12.758 4.974 -0.090 1.00 0.17 H new ATOM 0 HA ASN A 250 -12.808 3.117 -2.239 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.414 4.549 -3.631 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.087 3.369 -2.524 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.748 5.719 -0.468 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.240 4.041 -0.682 1.00 1.28 H new ATOM 493 N ALA A 251 -12.031 5.200 -3.753 1.00 0.26 N ATOM 494 CA ALA A 251 -11.139 6.157 -4.363 1.00 0.31 C ATOM 495 C ALA A 251 -11.735 7.552 -4.351 1.00 0.37 C ATOM 496 O ALA A 251 -11.065 8.530 -4.655 1.00 0.42 O ATOM 497 CB ALA A 251 -10.794 5.723 -5.775 1.00 0.39 C ATOM 0 H ALA A 251 -12.499 4.576 -4.411 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.221 6.192 -3.777 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.121 6.452 -6.226 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.307 4.748 -5.747 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -11.706 5.656 -6.368 1.00 0.39 H new ATOM 503 N TYR A 252 -12.999 7.634 -4.005 1.00 0.39 N ATOM 504 CA TYR A 252 -13.687 8.905 -3.913 1.00 0.47 C ATOM 505 C TYR A 252 -13.611 9.396 -2.484 1.00 0.46 C ATOM 506 O TYR A 252 -14.071 10.484 -2.137 1.00 0.56 O ATOM 507 CB TYR A 252 -15.135 8.709 -4.320 1.00 0.57 C ATOM 508 CG TYR A 252 -15.294 7.773 -5.494 1.00 0.95 C ATOM 509 CD1 TYR A 252 -14.457 7.854 -6.605 1.00 1.30 C ATOM 510 CD2 TYR A 252 -16.275 6.799 -5.482 1.00 1.27 C ATOM 511 CE1 TYR A 252 -14.602 6.984 -7.669 1.00 1.80 C ATOM 512 CE2 TYR A 252 -16.427 5.926 -6.540 1.00 1.76 C ATOM 513 CZ TYR A 252 -15.590 6.023 -7.631 1.00 1.98 C ATOM 514 OH TYR A 252 -15.733 5.149 -8.681 1.00 2.53 O ATOM 0 H TYR A 252 -13.579 6.826 -3.780 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.225 9.640 -4.573 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.696 8.318 -3.471 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.571 9.676 -4.571 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -13.684 8.607 -6.635 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -16.934 6.720 -4.630 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -13.946 7.056 -8.524 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -17.198 5.170 -6.513 1.00 1.76 H new ATOM 0 HH TYR A 252 -16.474 4.535 -8.497 1.00 2.53 H new ATOM 524 N ASP A 253 -13.019 8.553 -1.668 1.00 0.40 N ATOM 525 CA ASP A 253 -12.955 8.741 -0.255 1.00 0.43 C ATOM 526 C ASP A 253 -11.524 8.915 0.168 1.00 0.38 C ATOM 527 O ASP A 253 -10.875 7.939 0.546 1.00 0.34 O ATOM 528 CB ASP A 253 -13.502 7.485 0.376 1.00 0.44 C ATOM 529 CG ASP A 253 -14.489 7.750 1.495 1.00 0.56 C ATOM 530 OD1 ASP A 253 -15.429 8.550 1.291 1.00 0.80 O ATOM 531 OD2 ASP A 253 -14.326 7.168 2.584 1.00 0.88 O ATOM 0 H ASP A 253 -12.560 7.700 -1.987 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.521 9.622 0.047 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.989 6.884 -0.392 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.674 6.893 0.766 1.00 0.44 H new ATOM 536 N LYS A 254 -11.016 10.145 0.061 1.00 0.43 N ATOM 537 CA LYS A 254 -9.636 10.454 0.448 1.00 0.41 C ATOM 538 C LYS A 254 -8.669 9.783 -0.498 1.00 0.31 C ATOM 539 O LYS A 254 -7.458 9.931 -0.370 1.00 0.28 O ATOM 540 CB LYS A 254 -9.376 9.943 1.852 1.00 0.45 C ATOM 541 CG LYS A 254 -10.461 10.340 2.814 1.00 0.60 C ATOM 542 CD LYS A 254 -10.590 9.346 3.951 1.00 0.74 C ATOM 543 CE LYS A 254 -11.713 8.365 3.662 1.00 0.79 C ATOM 544 NZ LYS A 254 -13.037 8.907 4.061 1.00 1.32 N ATOM 0 H LYS A 254 -11.541 10.946 -0.291 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.495 11.534 0.409 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.292 8.856 1.831 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.420 10.330 2.206 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -10.246 11.329 3.218 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.410 10.412 2.283 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -9.651 8.808 4.082 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.788 9.873 4.884 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.723 8.128 2.598 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -11.527 7.432 4.195 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -13.777 8.208 3.848 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -13.036 9.110 5.081 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -13.226 9.783 3.534 1.00 1.32 H new ATOM 558 N THR A 255 -9.245 9.056 -1.443 1.00 0.28 N ATOM 559 CA THR A 255 -8.557 8.059 -2.222 1.00 0.22 C ATOM 560 C THR A 255 -7.955 7.071 -1.258 1.00 0.15 C ATOM 561 O THR A 255 -6.821 7.222 -0.804 1.00 0.14 O ATOM 562 CB THR A 255 -7.488 8.593 -3.228 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.922 9.835 -2.801 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.080 8.763 -4.616 1.00 0.55 C ATOM 0 H THR A 255 -10.230 9.152 -1.690 1.00 0.28 H new ATOM 0 HA THR A 255 -9.296 7.598 -2.877 1.00 0.22 H new ATOM 0 HB THR A 255 -6.695 7.846 -3.261 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.682 9.776 -1.853 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.313 9.136 -5.295 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.447 7.802 -4.975 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.905 9.474 -4.575 1.00 0.55 H new ATOM 572 N ALA A 256 -8.804 6.160 -0.820 1.00 0.13 N ATOM 573 CA ALA A 256 -8.406 5.106 0.080 1.00 0.11 C ATOM 574 C ALA A 256 -8.698 3.712 -0.512 1.00 0.10 C ATOM 575 O ALA A 256 -9.439 3.585 -1.488 1.00 0.12 O ATOM 576 CB ALA A 256 -9.080 5.318 1.419 1.00 0.13 C ATOM 0 H ALA A 256 -9.790 6.134 -1.082 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.327 5.145 0.226 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.784 4.525 2.105 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.780 6.283 1.829 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.162 5.300 1.289 1.00 0.13 H new ATOM 582 N LEU A 257 -8.138 2.674 0.108 1.00 0.10 N ATOM 583 CA LEU A 257 -8.197 1.297 -0.424 1.00 0.09 C ATOM 584 C LEU A 257 -9.346 0.499 0.120 1.00 0.09 C ATOM 585 O LEU A 257 -9.378 0.200 1.312 1.00 0.11 O ATOM 586 CB LEU A 257 -6.919 0.527 -0.078 1.00 0.11 C ATOM 587 CG LEU A 257 -5.693 0.886 -0.870 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.036 1.251 -2.300 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.955 2.009 -0.192 1.00 0.21 C ATOM 0 H LEU A 257 -7.631 2.754 0.989 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.321 1.413 -1.501 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.702 0.681 0.979 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.113 -0.537 -0.211 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.046 0.009 -0.909 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.124 1.504 -2.840 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.522 0.404 -2.785 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.710 2.108 -2.305 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.068 2.264 -0.772 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.605 2.881 -0.121 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.657 1.697 0.809 1.00 0.21 H new ATOM 601 N ALA A 258 -10.241 0.076 -0.764 1.00 0.10 N ATOM 602 CA ALA A 258 -11.369 -0.725 -0.344 1.00 0.11 C ATOM 603 C ALA A 258 -11.050 -2.179 -0.436 1.00 0.11 C ATOM 604 O ALA A 258 -11.221 -2.816 -1.471 1.00 0.14 O ATOM 605 CB ALA A 258 -12.565 -0.419 -1.190 1.00 0.14 C ATOM 0 H ALA A 258 -10.204 0.275 -1.764 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.590 -0.480 0.695 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.407 -1.029 -0.863 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.821 0.636 -1.091 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.339 -0.641 -2.233 1.00 0.14 H new ATOM 611 N LEU A 259 -10.605 -2.700 0.663 1.00 0.10 N ATOM 612 CA LEU A 259 -10.249 -4.089 0.732 1.00 0.12 C ATOM 613 C LEU A 259 -10.346 -4.597 2.149 1.00 0.12 C ATOM 614 O LEU A 259 -10.489 -3.822 3.094 1.00 0.12 O ATOM 615 CB LEU A 259 -8.841 -4.318 0.194 1.00 0.14 C ATOM 616 CG LEU A 259 -7.987 -3.064 0.101 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.567 -3.371 0.469 1.00 0.49 C ATOM 618 CD2 LEU A 259 -8.051 -2.481 -1.287 1.00 0.55 C ATOM 0 H LEU A 259 -10.477 -2.183 1.533 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.953 -4.643 0.111 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.334 -5.040 0.835 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.913 -4.767 -0.797 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.379 -2.329 0.804 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -5.968 -2.463 0.398 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.530 -3.751 1.490 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.169 -4.123 -0.213 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.433 -1.584 -1.334 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.683 -3.213 -2.006 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.083 -2.224 -1.526 1.00 0.55 H new ATOM 630 N GLU A 260 -10.257 -5.899 2.293 1.00 0.15 N ATOM 631 CA GLU A 260 -10.456 -6.524 3.577 1.00 0.16 C ATOM 632 C GLU A 260 -9.154 -7.114 4.072 1.00 0.15 C ATOM 633 O GLU A 260 -8.183 -7.229 3.334 1.00 0.16 O ATOM 634 CB GLU A 260 -11.555 -7.591 3.462 1.00 0.21 C ATOM 635 CG GLU A 260 -11.525 -8.692 4.512 1.00 0.23 C ATOM 636 CD GLU A 260 -12.906 -9.168 4.897 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.479 -9.996 4.159 1.00 0.92 O ATOM 638 OE2 GLU A 260 -13.428 -8.710 5.934 1.00 0.75 O ATOM 0 H GLU A 260 -10.047 -6.546 1.533 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.779 -5.781 4.306 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.524 -7.094 3.512 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.484 -8.053 2.477 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -10.947 -9.535 4.132 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -11.010 -8.327 5.401 1.00 0.23 H new ATOM 645 N VAL A 261 -9.116 -7.404 5.337 1.00 0.16 N ATOM 646 CA VAL A 261 -8.083 -8.223 5.898 1.00 0.16 C ATOM 647 C VAL A 261 -7.961 -9.549 5.151 1.00 0.17 C ATOM 648 O VAL A 261 -8.924 -10.313 5.060 1.00 0.21 O ATOM 649 CB VAL A 261 -8.417 -8.507 7.357 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.408 -9.465 7.978 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.508 -7.201 8.089 1.00 0.18 C ATOM 0 H VAL A 261 -9.805 -7.077 6.014 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.136 -7.691 5.813 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.381 -9.010 7.430 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.673 -9.648 9.019 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.416 -10.407 7.430 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.412 -9.026 7.929 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.747 -7.387 9.136 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.554 -6.679 8.022 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.290 -6.587 7.642 1.00 0.18 H new ATOM 661 N GLY A 262 -6.787 -9.817 4.610 1.00 0.17 N ATOM 662 CA GLY A 262 -6.567 -11.065 3.932 1.00 0.18 C ATOM 663 C GLY A 262 -6.624 -10.912 2.444 1.00 0.17 C ATOM 664 O GLY A 262 -6.430 -11.864 1.690 1.00 0.19 O ATOM 0 H GLY A 262 -5.983 -9.189 4.630 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.595 -11.467 4.218 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.317 -11.788 4.251 1.00 0.18 H new ATOM 668 N GLU A 263 -6.919 -9.708 2.029 1.00 0.16 N ATOM 669 CA GLU A 263 -6.954 -9.352 0.643 1.00 0.17 C ATOM 670 C GLU A 263 -5.591 -8.854 0.248 1.00 0.13 C ATOM 671 O GLU A 263 -4.627 -9.113 0.953 1.00 0.11 O ATOM 672 CB GLU A 263 -8.032 -8.306 0.547 1.00 0.18 C ATOM 673 CG GLU A 263 -9.282 -8.829 1.222 1.00 0.21 C ATOM 674 CD GLU A 263 -10.089 -9.762 0.348 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.447 -9.367 -0.777 1.00 0.84 O ATOM 676 OE2 GLU A 263 -10.380 -10.893 0.785 1.00 0.75 O ATOM 0 H GLU A 263 -7.145 -8.938 2.658 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.181 -10.174 -0.036 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.705 -7.382 1.023 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.237 -8.071 -0.497 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.001 -9.351 2.136 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.907 -7.986 1.516 1.00 0.21 H new ATOM 683 N LEU A 264 -5.469 -8.167 -0.851 1.00 0.17 N ATOM 684 CA LEU A 264 -4.171 -7.637 -1.186 1.00 0.18 C ATOM 685 C LEU A 264 -4.244 -6.269 -1.813 1.00 0.17 C ATOM 686 O LEU A 264 -5.225 -5.885 -2.448 1.00 0.31 O ATOM 687 CB LEU A 264 -3.350 -8.668 -1.966 1.00 0.48 C ATOM 688 CG LEU A 264 -2.870 -8.414 -3.409 1.00 0.31 C ATOM 689 CD1 LEU A 264 -1.967 -7.214 -3.555 1.00 0.36 C ATOM 690 CD2 LEU A 264 -2.052 -9.598 -3.804 1.00 0.83 C ATOM 0 H LEU A 264 -6.219 -7.963 -1.512 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.621 -7.460 -0.262 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -2.460 -8.875 -1.371 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -3.938 -9.585 -1.988 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.757 -8.241 -4.019 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.674 -7.104 -4.599 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.497 -6.318 -3.231 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -1.077 -7.351 -2.941 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -1.688 -9.465 -4.823 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.205 -9.697 -3.126 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.665 -10.498 -3.753 1.00 0.83 H new ATOM 702 N VAL A 265 -3.168 -5.560 -1.591 1.00 0.19 N ATOM 703 CA VAL A 265 -3.009 -4.199 -1.964 1.00 0.19 C ATOM 704 C VAL A 265 -1.626 -4.028 -2.610 1.00 0.24 C ATOM 705 O VAL A 265 -0.656 -4.615 -2.159 1.00 0.47 O ATOM 706 CB VAL A 265 -3.140 -3.365 -0.681 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.901 -3.455 0.146 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.404 -1.930 -0.912 1.00 0.27 C ATOM 0 H VAL A 265 -2.347 -5.944 -1.123 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.758 -3.875 -2.686 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.001 -3.795 -0.170 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.021 -2.855 1.048 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.723 -4.494 0.422 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.053 -3.081 -0.428 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.482 -1.416 0.046 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.587 -1.498 -1.490 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.338 -1.816 -1.462 1.00 0.27 H new ATOM 718 N LYS A 266 -1.530 -3.260 -3.667 1.00 0.14 N ATOM 719 CA LYS A 266 -0.291 -3.197 -4.431 1.00 0.15 C ATOM 720 C LYS A 266 0.252 -1.790 -4.470 1.00 0.32 C ATOM 721 O LYS A 266 -0.311 -0.919 -5.110 1.00 0.74 O ATOM 722 CB LYS A 266 -0.533 -3.730 -5.841 1.00 0.26 C ATOM 723 CG LYS A 266 0.655 -3.556 -6.791 1.00 0.42 C ATOM 724 CD LYS A 266 0.445 -2.441 -7.811 1.00 0.57 C ATOM 725 CE LYS A 266 -0.927 -2.522 -8.480 1.00 0.96 C ATOM 726 NZ LYS A 266 -1.061 -1.580 -9.620 1.00 1.84 N ATOM 0 H LYS A 266 -2.283 -2.671 -4.022 1.00 0.14 H new ATOM 0 HA LYS A 266 0.457 -3.820 -3.941 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.782 -4.789 -5.779 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.400 -3.223 -6.265 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.551 -3.343 -6.208 1.00 0.42 H new ATOM 0 HG3 LYS A 266 0.832 -4.494 -7.318 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.550 -1.475 -7.318 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.223 -2.496 -8.573 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -1.096 -3.540 -8.832 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -1.700 -2.307 -7.743 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -1.964 -1.070 -9.544 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 -0.276 -0.898 -9.601 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 -1.037 -2.111 -10.514 1.00 1.84 H new ATOM 740 N VAL A 267 1.375 -1.571 -3.825 1.00 0.14 N ATOM 741 CA VAL A 267 1.830 -0.225 -3.635 1.00 0.16 C ATOM 742 C VAL A 267 2.569 0.252 -4.867 1.00 0.20 C ATOM 743 O VAL A 267 3.665 -0.197 -5.189 1.00 0.23 O ATOM 744 CB VAL A 267 2.677 -0.065 -2.368 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.969 -0.865 -2.440 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.926 1.405 -2.125 1.00 0.22 C ATOM 0 H VAL A 267 1.976 -2.296 -3.432 1.00 0.14 H new ATOM 0 HA VAL A 267 0.952 0.405 -3.490 1.00 0.16 H new ATOM 0 HB VAL A 267 2.128 -0.473 -1.519 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.537 -0.722 -1.521 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.736 -1.923 -2.561 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.561 -0.524 -3.289 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.528 1.528 -1.225 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.456 1.830 -2.977 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.973 1.919 -1.997 1.00 0.22 H new ATOM 756 N THR A 268 1.933 1.186 -5.531 1.00 0.21 N ATOM 757 CA THR A 268 2.316 1.622 -6.842 1.00 0.24 C ATOM 758 C THR A 268 2.568 3.123 -6.873 1.00 0.24 C ATOM 759 O THR A 268 2.997 3.669 -7.887 1.00 0.35 O ATOM 760 CB THR A 268 1.170 1.311 -7.814 1.00 0.26 C ATOM 761 OG1 THR A 268 1.432 1.863 -9.112 1.00 0.31 O ATOM 762 CG2 THR A 268 -0.138 1.871 -7.254 1.00 0.24 C ATOM 0 H THR A 268 1.116 1.673 -5.162 1.00 0.21 H new ATOM 0 HA THR A 268 3.233 1.104 -7.124 1.00 0.24 H new ATOM 0 HB THR A 268 1.086 0.230 -7.922 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.050 2.619 -9.027 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.953 1.651 -7.944 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.346 1.412 -6.288 1.00 0.24 H new ATOM 0 HG23 THR A 268 -0.049 2.950 -7.131 1.00 0.24 H new ATOM 770 N LYS A 269 2.278 3.801 -5.783 1.00 0.20 N ATOM 771 CA LYS A 269 2.295 5.237 -5.799 1.00 0.23 C ATOM 772 C LYS A 269 3.274 5.740 -4.769 1.00 0.28 C ATOM 773 O LYS A 269 2.995 5.726 -3.586 1.00 0.45 O ATOM 774 CB LYS A 269 0.903 5.765 -5.480 1.00 0.25 C ATOM 775 CG LYS A 269 0.729 7.264 -5.681 1.00 0.49 C ATOM 776 CD LYS A 269 0.974 7.683 -7.119 1.00 0.59 C ATOM 777 CE LYS A 269 2.266 8.473 -7.254 1.00 0.49 C ATOM 778 NZ LYS A 269 2.535 8.854 -8.662 1.00 1.40 N ATOM 0 H LYS A 269 2.031 3.381 -4.887 1.00 0.20 H new ATOM 0 HA LYS A 269 2.597 5.586 -6.786 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.179 5.242 -6.105 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.665 5.521 -4.445 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.280 7.553 -5.387 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.417 7.799 -5.026 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.018 6.799 -7.755 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.138 8.287 -7.471 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.209 9.371 -6.639 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.097 7.879 -6.873 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 3.424 9.391 -8.713 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 2.615 7.996 -9.245 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 1.755 9.442 -9.018 1.00 1.40 H new ATOM 792 N ILE A 270 4.433 6.149 -5.194 1.00 0.31 N ATOM 793 CA ILE A 270 5.366 6.704 -4.251 1.00 0.34 C ATOM 794 C ILE A 270 5.251 8.223 -4.227 1.00 0.38 C ATOM 795 O ILE A 270 5.731 8.916 -5.124 1.00 0.42 O ATOM 796 CB ILE A 270 6.823 6.259 -4.503 1.00 0.39 C ATOM 797 CG1 ILE A 270 6.976 5.476 -5.816 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.289 5.394 -3.347 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.744 6.278 -7.082 1.00 1.44 C ATOM 0 H ILE A 270 4.752 6.112 -6.162 1.00 0.31 H new ATOM 0 HA ILE A 270 5.098 6.310 -3.271 1.00 0.34 H new ATOM 0 HB ILE A 270 7.433 7.159 -4.583 1.00 0.39 H new ATOM 0 HG12 ILE A 270 7.980 5.054 -5.853 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.278 4.639 -5.803 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.317 5.078 -3.521 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.237 5.966 -2.421 1.00 0.61 H new ATOM 0 HG23 ILE A 270 6.648 4.516 -3.268 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.876 5.633 -7.951 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.730 6.679 -7.078 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.459 7.100 -7.128 1.00 1.44 H new ATOM 811 N ASN A 271 4.579 8.721 -3.194 1.00 0.40 N ATOM 812 CA ASN A 271 4.324 10.143 -3.033 1.00 0.47 C ATOM 813 C ASN A 271 4.455 10.569 -1.565 1.00 0.49 C ATOM 814 O ASN A 271 4.561 9.717 -0.687 1.00 0.51 O ATOM 815 CB ASN A 271 2.922 10.463 -3.554 1.00 0.52 C ATOM 816 CG ASN A 271 1.814 9.608 -2.943 1.00 0.57 C ATOM 817 OD1 ASN A 271 0.790 9.389 -3.575 1.00 0.94 O ATOM 818 ND2 ASN A 271 1.994 9.115 -1.720 1.00 0.46 N ATOM 0 H ASN A 271 4.196 8.145 -2.444 1.00 0.40 H new ATOM 0 HA ASN A 271 5.066 10.699 -3.605 1.00 0.47 H new ATOM 0 HB2 ASN A 271 2.705 11.513 -3.357 1.00 0.52 H new ATOM 0 HB3 ASN A 271 2.911 10.332 -4.636 1.00 0.52 H new ATOM 0 HD21 ASN A 271 1.269 8.541 -1.290 1.00 0.46 H new ATOM 0 HD22 ASN A 271 2.857 9.312 -1.213 1.00 0.46 H new ATOM 825 N MET A 272 4.382 11.884 -1.310 1.00 0.55 N ATOM 826 CA MET A 272 4.557 12.477 0.038 1.00 0.61 C ATOM 827 C MET A 272 5.803 11.952 0.760 1.00 0.57 C ATOM 828 O MET A 272 6.653 11.284 0.170 1.00 0.59 O ATOM 829 CB MET A 272 3.300 12.349 0.940 1.00 0.78 C ATOM 830 CG MET A 272 2.361 11.205 0.607 1.00 0.63 C ATOM 831 SD MET A 272 0.893 11.160 1.655 1.00 0.77 S ATOM 832 CE MET A 272 0.018 9.767 0.934 1.00 0.59 C ATOM 0 H MET A 272 4.199 12.577 -2.035 1.00 0.55 H new ATOM 0 HA MET A 272 4.705 13.541 -0.147 1.00 0.61 H new ATOM 0 HB2 MET A 272 3.628 12.236 1.973 1.00 0.78 H new ATOM 0 HB3 MET A 272 2.739 13.282 0.884 1.00 0.78 H new ATOM 0 HG2 MET A 272 2.053 11.289 -0.435 1.00 0.63 H new ATOM 0 HG3 MET A 272 2.899 10.262 0.706 1.00 0.63 H new ATOM 0 HE1 MET A 272 -0.719 9.393 1.645 1.00 0.59 H new ATOM 0 HE2 MET A 272 -0.487 10.087 0.023 1.00 0.59 H new ATOM 0 HE3 MET A 272 0.728 8.975 0.696 1.00 0.59 H new ATOM 842 N SER A 273 5.933 12.302 2.032 1.00 0.68 N ATOM 843 CA SER A 273 7.135 12.009 2.784 1.00 0.75 C ATOM 844 C SER A 273 6.861 11.166 4.033 1.00 0.85 C ATOM 845 O SER A 273 7.555 11.306 5.036 1.00 1.04 O ATOM 846 CB SER A 273 7.776 13.334 3.176 1.00 0.89 C ATOM 847 OG SER A 273 6.780 14.287 3.530 1.00 1.24 O ATOM 0 H SER A 273 5.213 12.792 2.563 1.00 0.68 H new ATOM 0 HA SER A 273 7.802 11.417 2.157 1.00 0.75 H new ATOM 0 HB2 SER A 273 8.455 13.181 4.015 1.00 0.89 H new ATOM 0 HB3 SER A 273 8.373 13.715 2.347 1.00 0.89 H new ATOM 0 HG SER A 273 7.210 15.131 3.781 1.00 1.24 H new ATOM 853 N GLY A 274 5.872 10.281 3.976 1.00 0.80 N ATOM 854 CA GLY A 274 5.607 9.419 5.123 1.00 0.97 C ATOM 855 C GLY A 274 4.743 8.230 4.762 1.00 0.85 C ATOM 856 O GLY A 274 5.160 7.082 4.918 1.00 1.00 O ATOM 0 H GLY A 274 5.257 10.143 3.174 1.00 0.80 H new ATOM 0 HA2 GLY A 274 6.552 9.066 5.535 1.00 0.97 H new ATOM 0 HA3 GLY A 274 5.115 9.999 5.904 1.00 0.97 H new ATOM 860 N GLN A 275 3.546 8.498 4.266 1.00 0.69 N ATOM 861 CA GLN A 275 2.651 7.439 3.824 1.00 0.58 C ATOM 862 C GLN A 275 2.520 7.516 2.327 1.00 0.47 C ATOM 863 O GLN A 275 2.769 8.560 1.737 1.00 0.48 O ATOM 864 CB GLN A 275 1.285 7.535 4.511 1.00 0.64 C ATOM 865 CG GLN A 275 1.226 6.761 5.820 1.00 0.79 C ATOM 866 CD GLN A 275 2.185 7.281 6.875 1.00 1.11 C ATOM 867 OE1 GLN A 275 2.410 8.485 6.994 1.00 1.87 O ATOM 868 NE2 GLN A 275 2.795 6.367 7.615 1.00 1.33 N ATOM 0 H GLN A 275 3.171 9.440 4.159 1.00 0.69 H new ATOM 0 HA GLN A 275 3.069 6.472 4.103 1.00 0.58 H new ATOM 0 HB2 GLN A 275 1.053 8.583 4.703 1.00 0.64 H new ATOM 0 HB3 GLN A 275 0.517 7.157 3.836 1.00 0.64 H new ATOM 0 HG2 GLN A 275 0.210 6.803 6.212 1.00 0.79 H new ATOM 0 HG3 GLN A 275 1.449 5.712 5.623 1.00 0.79 H new ATOM 0 HE21 GLN A 275 2.580 5.379 7.485 1.00 1.33 H new ATOM 0 HE22 GLN A 275 3.480 6.652 8.315 1.00 1.33 H new ATOM 877 N TRP A 276 2.177 6.412 1.702 1.00 0.41 N ATOM 878 CA TRP A 276 2.133 6.364 0.257 1.00 0.33 C ATOM 879 C TRP A 276 0.854 5.676 -0.192 1.00 0.23 C ATOM 880 O TRP A 276 0.035 5.282 0.641 1.00 0.22 O ATOM 881 CB TRP A 276 3.377 5.657 -0.314 1.00 0.41 C ATOM 882 CG TRP A 276 4.654 5.893 0.470 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.954 5.408 1.710 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.802 6.647 0.063 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.198 5.827 2.103 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.741 6.588 1.105 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.122 7.369 -1.073 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.979 7.226 1.031 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.346 8.003 -1.149 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.261 7.929 -0.101 1.00 0.82 C ATOM 0 H TRP A 276 1.926 5.540 2.168 1.00 0.41 H new ATOM 0 HA TRP A 276 2.137 7.383 -0.129 1.00 0.33 H new ATOM 0 HB2 TRP A 276 3.183 4.585 -0.353 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.529 5.991 -1.340 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.302 4.781 2.300 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.645 5.607 2.993 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.421 7.436 -1.892 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.689 7.165 1.843 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.598 8.566 -2.036 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.210 8.438 -0.188 1.00 0.82 H new ATOM 901 N GLU A 277 0.684 5.534 -1.496 1.00 0.19 N ATOM 902 CA GLU A 277 -0.550 5.068 -2.057 1.00 0.16 C ATOM 903 C GLU A 277 -0.374 3.722 -2.690 1.00 0.19 C ATOM 904 O GLU A 277 0.733 3.265 -2.911 1.00 0.48 O ATOM 905 CB GLU A 277 -1.094 6.098 -3.040 1.00 0.15 C ATOM 906 CG GLU A 277 -1.939 7.147 -2.356 1.00 0.23 C ATOM 907 CD GLU A 277 -2.339 8.293 -3.260 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.818 8.021 -4.381 1.00 1.03 O ATOM 909 OE2 GLU A 277 -2.149 9.463 -2.870 1.00 0.92 O ATOM 0 H GLU A 277 1.405 5.742 -2.187 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.283 4.947 -1.259 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.263 6.581 -3.554 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.689 5.593 -3.801 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.839 6.675 -1.963 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.389 7.544 -1.503 1.00 0.23 H new ATOM 916 N GLY A 278 -1.489 3.102 -2.944 1.00 0.39 N ATOM 917 CA GLY A 278 -1.535 1.766 -3.422 1.00 0.34 C ATOM 918 C GLY A 278 -2.655 1.625 -4.409 1.00 0.28 C ATOM 919 O GLY A 278 -3.400 2.574 -4.645 1.00 0.32 O ATOM 0 H GLY A 278 -2.408 3.527 -2.819 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.587 1.504 -3.892 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.680 1.076 -2.591 1.00 0.34 H new ATOM 923 N GLU A 279 -2.788 0.454 -4.961 1.00 0.22 N ATOM 924 CA GLU A 279 -3.824 0.163 -5.894 1.00 0.18 C ATOM 925 C GLU A 279 -4.053 -1.318 -5.875 1.00 0.13 C ATOM 926 O GLU A 279 -3.184 -2.109 -6.227 1.00 0.14 O ATOM 927 CB GLU A 279 -3.491 0.616 -7.291 1.00 0.25 C ATOM 928 CG GLU A 279 -4.702 0.500 -8.172 1.00 0.27 C ATOM 929 CD GLU A 279 -4.600 -0.632 -9.173 1.00 0.66 C ATOM 930 OE1 GLU A 279 -3.614 -0.665 -9.937 1.00 1.08 O ATOM 931 OE2 GLU A 279 -5.507 -1.491 -9.202 1.00 0.99 O ATOM 0 H GLU A 279 -2.168 -0.333 -4.769 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.721 0.708 -5.601 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.142 1.648 -7.274 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.679 0.011 -7.694 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.584 0.349 -7.550 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.846 1.439 -8.707 1.00 0.27 H new ATOM 938 N CYS A 280 -5.199 -1.671 -5.394 1.00 0.10 N ATOM 939 CA CYS A 280 -5.545 -3.038 -5.174 1.00 0.12 C ATOM 940 C CYS A 280 -6.673 -3.460 -6.076 1.00 0.15 C ATOM 941 O CYS A 280 -7.831 -3.269 -5.737 1.00 0.19 O ATOM 942 CB CYS A 280 -5.985 -3.121 -3.755 1.00 0.17 C ATOM 943 SG CYS A 280 -5.569 -1.643 -2.854 1.00 1.52 S ATOM 0 H CYS A 280 -5.932 -1.009 -5.139 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.699 -3.693 -5.385 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.063 -3.281 -3.716 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.518 -3.983 -3.278 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.370 -1.259 -3.179 1.00 1.52 H new ATOM 949 N ASN A 281 -6.333 -4.005 -7.224 1.00 0.18 N ATOM 950 CA ASN A 281 -7.329 -4.483 -8.177 1.00 0.25 C ATOM 951 C ASN A 281 -8.445 -3.449 -8.375 1.00 0.23 C ATOM 952 O ASN A 281 -9.629 -3.791 -8.433 1.00 0.32 O ATOM 953 CB ASN A 281 -7.916 -5.821 -7.712 1.00 0.33 C ATOM 954 CG ASN A 281 -6.855 -6.885 -7.468 1.00 0.48 C ATOM 955 OD1 ASN A 281 -7.060 -7.808 -6.679 1.00 1.04 O ATOM 956 ND2 ASN A 281 -5.705 -6.760 -8.124 1.00 0.69 N ATOM 0 H ASN A 281 -5.368 -4.132 -7.528 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.833 -4.632 -9.136 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.482 -5.663 -6.794 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.619 -6.183 -8.462 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -4.959 -7.441 -7.981 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.569 -5.983 -8.771 1.00 0.69 H new ATOM 963 N GLY A 282 -8.055 -2.182 -8.477 1.00 0.17 N ATOM 964 CA GLY A 282 -9.001 -1.136 -8.776 1.00 0.18 C ATOM 965 C GLY A 282 -9.343 -0.239 -7.597 1.00 0.16 C ATOM 966 O GLY A 282 -10.083 0.730 -7.761 1.00 0.28 O ATOM 0 H GLY A 282 -7.093 -1.865 -8.356 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.600 -0.520 -9.581 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.919 -1.590 -9.149 1.00 0.18 H new ATOM 970 N LYS A 283 -8.805 -0.524 -6.417 1.00 0.10 N ATOM 971 CA LYS A 283 -8.884 0.439 -5.330 1.00 0.10 C ATOM 972 C LYS A 283 -7.571 1.141 -5.253 1.00 0.09 C ATOM 973 O LYS A 283 -6.535 0.527 -5.458 1.00 0.12 O ATOM 974 CB LYS A 283 -9.145 -0.150 -3.942 1.00 0.11 C ATOM 975 CG LYS A 283 -10.360 -1.051 -3.827 1.00 0.15 C ATOM 976 CD LYS A 283 -10.114 -2.419 -4.428 1.00 0.14 C ATOM 977 CE LYS A 283 -11.341 -3.284 -4.373 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.173 -4.539 -5.151 1.00 0.38 N ATOM 0 H LYS A 283 -8.321 -1.393 -6.193 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.734 1.080 -5.565 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.265 -0.717 -3.637 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.256 0.671 -3.234 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.632 -1.160 -2.777 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.207 -0.582 -4.328 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.794 -2.308 -5.464 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.300 -2.909 -3.894 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.566 -3.528 -3.335 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.194 -2.728 -4.762 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.042 -5.106 -5.087 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -10.984 -4.307 -6.147 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.375 -5.083 -4.765 1.00 0.38 H new ATOM 992 N ARG A 284 -7.603 2.405 -4.952 1.00 0.07 N ATOM 993 CA ARG A 284 -6.387 3.170 -4.833 1.00 0.09 C ATOM 994 C ARG A 284 -6.497 4.114 -3.663 1.00 0.11 C ATOM 995 O ARG A 284 -7.585 4.596 -3.357 1.00 0.13 O ATOM 996 CB ARG A 284 -6.104 3.946 -6.088 1.00 0.11 C ATOM 997 CG ARG A 284 -6.360 3.121 -7.316 1.00 0.20 C ATOM 998 CD ARG A 284 -5.678 3.719 -8.519 1.00 0.35 C ATOM 999 NE ARG A 284 -6.067 3.071 -9.770 1.00 0.68 N ATOM 1000 CZ ARG A 284 -5.410 3.229 -10.920 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -4.356 4.034 -10.976 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -5.817 2.599 -12.014 1.00 1.46 N ATOM 0 H ARG A 284 -8.458 2.934 -4.783 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.562 2.476 -4.672 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.728 4.840 -6.113 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.067 4.281 -6.083 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -6.000 2.104 -7.157 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.433 3.055 -7.497 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.916 4.781 -8.576 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.598 3.641 -8.395 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.887 2.464 -9.763 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -4.049 4.531 -10.140 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -3.853 4.155 -11.855 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -6.635 1.991 -11.978 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -5.312 2.723 -12.891 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.384 4.396 -3.028 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.426 5.189 -1.829 1.00 0.14 C ATOM 1018 C GLY A 285 -4.210 5.026 -0.962 1.00 0.15 C ATOM 1019 O GLY A 285 -3.302 4.313 -1.316 1.00 0.24 O ATOM 0 H GLY A 285 -4.454 4.093 -3.317 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.531 6.239 -2.101 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.312 4.918 -1.254 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.209 5.643 0.200 1.00 0.11 N ATOM 1024 CA HIS A 286 -3.021 5.693 1.019 1.00 0.12 C ATOM 1025 C HIS A 286 -3.271 5.089 2.366 1.00 0.12 C ATOM 1026 O HIS A 286 -4.324 5.299 2.963 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.534 7.134 1.169 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.633 8.162 1.174 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.576 8.267 2.179 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.947 9.116 0.269 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.422 9.238 1.887 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -5.059 9.771 0.736 1.00 0.23 N ATOM 0 H HIS A 286 -5.020 6.117 0.598 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.246 5.110 0.522 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.969 7.219 2.097 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.846 7.359 0.354 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.421 9.324 -0.651 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.266 9.543 2.487 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.529 10.546 0.268 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.264 4.382 2.849 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.397 3.518 4.010 1.00 0.11 C ATOM 1043 C PHE A 287 -1.029 2.937 4.362 1.00 0.15 C ATOM 1044 O PHE A 287 -0.425 2.251 3.539 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.354 2.354 3.714 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.835 2.611 3.900 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.327 3.387 4.939 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.737 2.063 3.006 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.685 3.606 5.077 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.090 2.279 3.134 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.569 3.053 4.171 1.00 0.12 C ATOM 0 H PHE A 287 -1.327 4.391 2.446 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.792 4.109 4.837 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.193 2.038 2.683 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.074 1.516 4.352 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.641 3.825 5.649 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.372 1.454 2.192 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.055 4.209 5.893 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.776 1.843 2.423 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.630 3.226 4.274 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.524 3.205 5.576 1.00 0.17 N ATOM 1062 CA PRO A 288 0.787 2.718 6.034 1.00 0.23 C ATOM 1063 C PRO A 288 0.943 1.198 6.001 1.00 0.18 C ATOM 1064 O PRO A 288 -0.013 0.440 5.800 1.00 0.16 O ATOM 1065 CB PRO A 288 0.865 3.212 7.486 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.540 3.523 7.855 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.154 4.043 6.599 1.00 0.23 C ATOM 0 HA PRO A 288 1.577 3.084 5.378 1.00 0.23 H new ATOM 0 HB2 PRO A 288 1.287 2.450 8.141 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.501 4.093 7.571 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.061 2.635 8.213 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -0.585 4.263 8.654 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.239 3.936 6.602 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -0.938 5.101 6.448 1.00 0.23 H new ATOM 1075 N PHE A 289 2.179 0.776 6.227 1.00 0.23 N ATOM 1076 CA PHE A 289 2.552 -0.640 6.249 1.00 0.26 C ATOM 1077 C PHE A 289 2.051 -1.325 7.511 1.00 0.23 C ATOM 1078 O PHE A 289 2.115 -2.547 7.631 1.00 0.26 O ATOM 1079 CB PHE A 289 4.069 -0.781 6.189 1.00 0.38 C ATOM 1080 CG PHE A 289 4.568 -2.196 6.264 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.489 -3.032 5.171 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.126 -2.683 7.433 1.00 0.32 C ATOM 1083 CE1 PHE A 289 4.959 -4.329 5.236 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.593 -3.979 7.508 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.512 -4.804 6.407 1.00 0.26 C ATOM 0 H PHE A 289 2.960 1.408 6.402 1.00 0.23 H new ATOM 0 HA PHE A 289 2.093 -1.114 5.382 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.426 -0.332 5.262 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.507 -0.211 7.009 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.054 -2.668 4.252 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.197 -2.040 8.298 1.00 0.32 H new ATOM 0 HE1 PHE A 289 4.894 -4.971 4.370 1.00 0.26 H new ATOM 0 HE2 PHE A 289 6.022 -4.347 8.429 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.880 -5.818 6.461 1.00 0.26 H new ATOM 1095 N THR A 290 1.523 -0.532 8.429 1.00 0.24 N ATOM 1096 CA THR A 290 1.119 -0.997 9.745 1.00 0.27 C ATOM 1097 C THR A 290 0.079 -2.122 9.699 1.00 0.23 C ATOM 1098 O THR A 290 -0.343 -2.617 10.743 1.00 0.28 O ATOM 1099 CB THR A 290 0.553 0.182 10.541 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.349 0.926 9.711 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.669 1.092 11.037 1.00 0.44 C ATOM 0 H THR A 290 1.361 0.464 8.279 1.00 0.24 H new ATOM 0 HA THR A 290 2.007 -1.408 10.225 1.00 0.27 H new ATOM 0 HB THR A 290 0.021 -0.207 11.409 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.714 1.680 10.219 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.240 1.921 11.599 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.341 0.526 11.682 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.227 1.481 10.185 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.311 -2.549 8.500 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.363 -3.536 8.361 1.00 0.16 C ATOM 1111 C HIS A 291 -1.322 -4.169 6.993 1.00 0.14 C ATOM 1112 O HIS A 291 -2.363 -4.500 6.417 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.754 -2.949 8.639 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.989 -1.543 8.160 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -2.485 -1.042 6.976 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -3.737 -0.547 8.692 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -2.923 0.192 6.804 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -3.683 0.518 7.827 1.00 0.77 N ATOM 0 H HIS A 291 0.087 -2.225 7.619 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.180 -4.304 9.113 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.498 -3.597 8.177 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.930 -2.978 9.714 1.00 0.20 H new ATOM 0 HD2 HIS A 291 -4.277 -0.584 9.626 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -2.695 0.829 5.962 1.00 0.19 H new ATOM 0 HE2 HIS A 291 -4.154 1.413 7.956 1.00 0.77 H new ATOM 1127 N VAL A 292 -0.123 -4.317 6.456 1.00 0.16 N ATOM 1128 CA VAL A 292 0.058 -5.126 5.268 1.00 0.15 C ATOM 1129 C VAL A 292 1.222 -6.045 5.404 1.00 0.19 C ATOM 1130 O VAL A 292 2.270 -5.721 5.958 1.00 0.22 O ATOM 1131 CB VAL A 292 0.232 -4.280 3.993 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -1.015 -3.490 3.714 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.421 -3.350 4.116 1.00 0.31 C ATOM 0 H VAL A 292 0.730 -3.892 6.820 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.857 -5.710 5.169 1.00 0.15 H new ATOM 0 HB VAL A 292 0.414 -4.960 3.160 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.876 -2.897 2.810 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.854 -4.172 3.575 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.221 -2.827 4.554 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.521 -2.764 3.202 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.272 -2.679 4.962 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.327 -3.936 4.272 1.00 0.31 H new ATOM 1143 N ARG A 293 0.968 -7.213 4.919 1.00 0.22 N ATOM 1144 CA ARG A 293 1.977 -8.168 4.642 1.00 0.21 C ATOM 1145 C ARG A 293 2.310 -7.906 3.213 1.00 0.32 C ATOM 1146 O ARG A 293 1.532 -7.254 2.553 1.00 0.70 O ATOM 1147 CB ARG A 293 1.412 -9.563 4.790 1.00 0.19 C ATOM 1148 CG ARG A 293 0.308 -9.662 5.812 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.580 -10.855 5.550 1.00 0.26 C ATOM 1150 NE ARG A 293 0.172 -12.104 5.423 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.330 -13.311 5.677 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.566 -13.441 6.146 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.416 -14.390 5.483 1.00 0.60 N ATOM 0 H ARG A 293 0.025 -7.535 4.700 1.00 0.22 H new ATOM 0 HA ARG A 293 2.838 -8.096 5.306 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.033 -9.897 3.824 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.216 -10.244 5.069 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.740 -9.740 6.810 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.290 -8.751 5.794 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.301 -10.951 6.362 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.150 -10.685 4.636 1.00 0.26 H new ATOM 0 HE ARG A 293 1.144 -12.046 5.120 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.137 -12.613 6.314 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -1.944 -14.369 6.338 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.372 -14.294 5.140 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.034 -15.316 5.677 1.00 0.60 H new ATOM 1167 N LEU A 294 3.444 -8.301 2.735 1.00 0.18 N ATOM 1168 CA LEU A 294 3.669 -8.178 1.314 1.00 0.18 C ATOM 1169 C LEU A 294 3.797 -9.509 0.600 1.00 0.21 C ATOM 1170 O LEU A 294 3.900 -10.579 1.201 1.00 0.30 O ATOM 1171 CB LEU A 294 4.886 -7.335 0.979 1.00 0.22 C ATOM 1172 CG LEU A 294 5.219 -6.194 1.938 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.440 -5.449 1.446 1.00 0.66 C ATOM 1174 CD2 LEU A 294 4.049 -5.242 2.086 1.00 0.58 C ATOM 0 H LEU A 294 4.211 -8.700 3.276 1.00 0.18 H new ATOM 0 HA LEU A 294 2.771 -7.676 0.954 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.752 -7.995 0.923 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.743 -6.912 -0.015 1.00 0.22 H new ATOM 0 HG LEU A 294 5.428 -6.622 2.918 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.672 -4.636 2.134 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.287 -6.133 1.393 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.242 -5.040 0.455 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.317 -4.441 2.775 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.801 -4.817 1.114 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.187 -5.783 2.476 1.00 0.58 H new ATOM 1186 N LEU A 295 3.766 -9.378 -0.706 1.00 0.20 N ATOM 1187 CA LEU A 295 3.890 -10.430 -1.654 1.00 0.22 C ATOM 1188 C LEU A 295 5.011 -10.066 -2.626 1.00 0.28 C ATOM 1189 O LEU A 295 5.559 -8.964 -2.558 1.00 0.31 O ATOM 1190 CB LEU A 295 2.593 -10.495 -2.420 1.00 0.23 C ATOM 1191 CG LEU A 295 1.759 -11.750 -2.251 1.00 0.25 C ATOM 1192 CD1 LEU A 295 0.982 -11.647 -0.960 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.823 -11.928 -3.434 1.00 0.28 C ATOM 0 H LEU A 295 3.645 -8.468 -1.151 1.00 0.20 H new ATOM 0 HA LEU A 295 4.107 -11.381 -1.168 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.983 -9.640 -2.128 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.819 -10.378 -3.480 1.00 0.23 H new ATOM 0 HG LEU A 295 2.410 -12.623 -2.211 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.378 -12.544 -0.827 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.675 -11.549 -0.125 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.331 -10.773 -0.996 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.232 -12.833 -3.297 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.158 -11.067 -3.504 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.407 -12.011 -4.351 1.00 0.28 H new ATOM 1205 N ASP A 296 5.291 -10.933 -3.580 1.00 0.39 N ATOM 1206 CA ASP A 296 6.404 -10.709 -4.484 1.00 0.50 C ATOM 1207 C ASP A 296 5.923 -10.097 -5.799 1.00 0.73 C ATOM 1208 O ASP A 296 5.812 -10.787 -6.811 1.00 1.81 O ATOM 1209 CB ASP A 296 7.166 -12.012 -4.738 1.00 0.84 C ATOM 1210 CG ASP A 296 8.522 -11.778 -5.375 1.00 1.76 C ATOM 1211 OD1 ASP A 296 9.479 -11.430 -4.654 1.00 2.44 O ATOM 1212 OD2 ASP A 296 8.632 -11.930 -6.610 1.00 2.42 O ATOM 0 H ASP A 296 4.768 -11.792 -3.749 1.00 0.39 H new ATOM 0 HA ASP A 296 7.086 -10.002 -4.012 1.00 0.50 H new ATOM 0 HB2 ASP A 296 7.298 -12.541 -3.794 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.571 -12.657 -5.385 1.00 0.84 H new ATOM 1217 N GLN A 297 5.591 -8.799 -5.725 1.00 0.53 N ATOM 1218 CA GLN A 297 5.262 -7.953 -6.903 1.00 0.41 C ATOM 1219 C GLN A 297 4.434 -8.701 -7.945 1.00 0.64 C ATOM 1220 O GLN A 297 4.995 -9.100 -8.989 1.00 1.25 O ATOM 1221 CB GLN A 297 6.537 -7.393 -7.555 1.00 0.51 C ATOM 1222 CG GLN A 297 7.811 -8.112 -7.156 1.00 0.88 C ATOM 1223 CD GLN A 297 9.030 -7.562 -7.852 1.00 0.87 C ATOM 1224 OE1 GLN A 297 9.455 -8.068 -8.888 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.576 -6.496 -7.304 1.00 1.02 N ATOM 1226 OXT GLN A 297 3.230 -8.893 -7.717 1.00 1.41 O ATOM 0 H GLN A 297 5.540 -8.294 -4.840 1.00 0.53 H new ATOM 0 HA GLN A 297 4.658 -7.127 -6.529 1.00 0.41 H new ATOM 0 HB2 GLN A 297 6.429 -7.444 -8.638 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.632 -6.339 -7.293 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.946 -8.032 -6.077 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.713 -9.173 -7.387 1.00 0.88 H new ATOM 0 HE21 GLN A 297 9.189 -6.110 -6.443 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.386 -6.056 -7.741 1.00 1.02 H new TER 1235 GLN A 297