USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=12 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= -7.39! C(o=-10!,f=-6.2!) USER MOD Set 1.2: A 272 MET CE :methyl 179:sc= -1.7 (180deg=-1.53) USER MOD Set 1.3: A 286 HIS : no HD1:sc= -1 K(o=-10,f=-8.4!) USER MOD Set 2.1: A 233 ASN : amide:sc= -0.899 K(o=-1.1,f=0.081) USER MOD Set 2.2: A 236 ASN : amide:sc= -0.159 K(o=-1.1,f=0.081) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 228 ASN : amide:sc= -0.0522 X(o=-0.052,f=0) USER MOD Single : A 229 THR OG1 : rot 52:sc= -1.92! USER MOD Single : A 235 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 ASN : amide:sc= -1.69 K(o=-1.7,f=-10!) 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= 1.12 USER MOD Single : A 266 LYS NZ :NH3+ -152:sc= 1.27 (180deg=0.93) USER MOD Single : A 268 THR OG1 : rot -15:sc= 1.04 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= -1.87! K(o=-1.9!,f=-0.42) USER MOD Single : A 280 CYS SG : rot 112:sc= -3.24! USER MOD Single : A 281 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.0021) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 291 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.61) USER MOD Single : A 297 GLN : amide:sc= -5.91! C(o=-5.9!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 16.381 1.785 -2.914 1.00 4.69 N ATOM 2 CA GLY A 220 16.574 1.413 -1.490 1.00 4.23 C ATOM 3 C GLY A 220 15.853 0.123 -1.144 1.00 3.74 C ATOM 4 O GLY A 220 15.050 -0.364 -1.941 1.00 3.79 O ATOM 0 HA2 GLY A 220 17.639 1.301 -1.284 1.00 4.23 H new ATOM 0 HA3 GLY A 220 16.208 2.217 -0.851 1.00 4.23 H new ATOM 10 N PRO A 221 16.137 -0.463 0.033 1.00 3.49 N ATOM 11 CA PRO A 221 15.396 -1.626 0.559 1.00 3.23 C ATOM 12 C PRO A 221 13.913 -1.315 0.694 1.00 2.59 C ATOM 13 O PRO A 221 13.546 -0.141 0.801 1.00 2.75 O ATOM 14 CB PRO A 221 16.007 -1.814 1.955 1.00 3.34 C ATOM 15 CG PRO A 221 17.370 -1.231 1.844 1.00 3.90 C ATOM 16 CD PRO A 221 17.213 -0.041 0.949 1.00 3.80 C ATOM 0 HA PRO A 221 15.471 -2.501 -0.086 1.00 3.23 H new ATOM 0 HB2 PRO A 221 15.418 -1.305 2.718 1.00 3.34 H new ATOM 0 HB3 PRO A 221 16.047 -2.867 2.233 1.00 3.34 H new ATOM 0 HG2 PRO A 221 17.756 -0.941 2.821 1.00 3.90 H new ATOM 0 HG3 PRO A 221 18.073 -1.950 1.424 1.00 3.90 H new ATOM 0 HD2 PRO A 221 16.940 0.853 1.509 1.00 3.80 H new ATOM 0 HD3 PRO A 221 18.134 0.187 0.413 1.00 3.80 H new ATOM 24 N TYR A 222 13.035 -2.318 0.697 1.00 2.37 N ATOM 25 CA TYR A 222 11.646 -1.985 0.940 1.00 2.06 C ATOM 26 C TYR A 222 11.409 -1.916 2.443 1.00 2.25 C ATOM 27 O TYR A 222 11.027 -2.875 3.110 1.00 2.77 O ATOM 28 CB TYR A 222 10.687 -2.967 0.238 1.00 2.28 C ATOM 29 CG TYR A 222 10.824 -4.431 0.629 1.00 2.92 C ATOM 30 CD1 TYR A 222 11.888 -5.205 0.178 1.00 3.43 C ATOM 31 CD2 TYR A 222 9.867 -5.042 1.432 1.00 3.39 C ATOM 32 CE1 TYR A 222 11.992 -6.543 0.519 1.00 4.30 C ATOM 33 CE2 TYR A 222 9.969 -6.375 1.780 1.00 4.22 C ATOM 34 CZ TYR A 222 11.031 -7.121 1.322 1.00 4.65 C ATOM 35 OH TYR A 222 11.126 -8.451 1.662 1.00 5.60 O ATOM 0 H TYR A 222 13.246 -3.304 0.544 1.00 2.37 H new ATOM 0 HA TYR A 222 11.431 -1.008 0.507 1.00 2.06 H new ATOM 0 HB2 TYR A 222 9.664 -2.652 0.442 1.00 2.28 H new ATOM 0 HB3 TYR A 222 10.838 -2.884 -0.838 1.00 2.28 H new ATOM 0 HD1 TYR A 222 12.645 -4.755 -0.448 1.00 3.43 H new ATOM 0 HD2 TYR A 222 9.028 -4.464 1.790 1.00 3.39 H new ATOM 0 HE1 TYR A 222 12.822 -7.132 0.158 1.00 4.30 H new ATOM 0 HE2 TYR A 222 9.218 -6.830 2.409 1.00 4.22 H new ATOM 0 HH TYR A 222 10.369 -8.698 2.233 1.00 5.60 H new ATOM 45 N ALA A 223 11.706 -0.742 2.940 1.00 2.49 N ATOM 46 CA ALA A 223 11.469 -0.330 4.302 1.00 2.89 C ATOM 47 C ALA A 223 11.165 1.146 4.252 1.00 2.33 C ATOM 48 O ALA A 223 11.373 1.751 3.204 1.00 2.21 O ATOM 49 CB ALA A 223 12.682 -0.611 5.179 1.00 3.84 C ATOM 0 H ALA A 223 12.141 -0.011 2.378 1.00 2.49 H new ATOM 0 HA ALA A 223 10.640 -0.886 4.740 1.00 2.89 H new ATOM 0 HB1 ALA A 223 12.475 -0.290 6.200 1.00 3.84 H new ATOM 0 HB2 ALA A 223 12.897 -1.680 5.171 1.00 3.84 H new ATOM 0 HB3 ALA A 223 13.543 -0.064 4.795 1.00 3.84 H new ATOM 55 N GLN A 224 10.641 1.733 5.312 1.00 2.43 N ATOM 56 CA GLN A 224 10.779 3.174 5.449 1.00 2.08 C ATOM 57 C GLN A 224 12.258 3.506 5.363 1.00 1.83 C ATOM 58 O GLN A 224 13.021 3.191 6.278 1.00 2.07 O ATOM 59 CB GLN A 224 10.199 3.695 6.764 1.00 2.42 C ATOM 60 CG GLN A 224 10.578 2.877 7.989 1.00 2.85 C ATOM 61 CD GLN A 224 10.174 3.552 9.283 1.00 3.37 C ATOM 62 OE1 GLN A 224 9.049 3.392 9.755 1.00 4.07 O ATOM 63 NE2 GLN A 224 11.098 4.290 9.879 1.00 3.48 N ATOM 0 H GLN A 224 10.136 1.261 6.062 1.00 2.43 H new ATOM 0 HA GLN A 224 10.217 3.659 4.651 1.00 2.08 H new ATOM 0 HB2 GLN A 224 10.532 4.722 6.912 1.00 2.42 H new ATOM 0 HB3 GLN A 224 9.112 3.721 6.682 1.00 2.42 H new ATOM 0 HG2 GLN A 224 10.103 1.898 7.930 1.00 2.85 H new ATOM 0 HG3 GLN A 224 11.655 2.709 7.991 1.00 2.85 H new ATOM 0 HE21 GLN A 224 12.019 4.396 9.453 1.00 3.48 H new ATOM 0 HE22 GLN A 224 10.889 4.752 10.764 1.00 3.48 H new ATOM 72 N PRO A 225 12.701 4.133 4.257 1.00 1.72 N ATOM 73 CA PRO A 225 14.111 4.445 4.045 1.00 1.92 C ATOM 74 C PRO A 225 14.544 5.618 4.921 1.00 2.14 C ATOM 75 O PRO A 225 15.365 6.447 4.522 1.00 2.66 O ATOM 76 CB PRO A 225 14.199 4.793 2.549 1.00 2.14 C ATOM 77 CG PRO A 225 12.835 4.577 1.982 1.00 2.04 C ATOM 78 CD PRO A 225 11.877 4.595 3.132 1.00 1.87 C ATOM 0 HA PRO A 225 14.771 3.620 4.313 1.00 1.92 H new ATOM 0 HB2 PRO A 225 14.518 5.826 2.409 1.00 2.14 H new ATOM 0 HB3 PRO A 225 14.932 4.162 2.047 1.00 2.14 H new ATOM 0 HG2 PRO A 225 12.588 5.357 1.262 1.00 2.04 H new ATOM 0 HG3 PRO A 225 12.784 3.626 1.452 1.00 2.04 H new ATOM 0 HD2 PRO A 225 11.477 5.594 3.308 1.00 1.87 H new ATOM 0 HD3 PRO A 225 11.026 3.937 2.958 1.00 1.87 H new ATOM 86 N SER A 226 13.932 5.670 6.110 1.00 1.95 N ATOM 87 CA SER A 226 14.243 6.638 7.160 1.00 2.16 C ATOM 88 C SER A 226 13.582 7.977 6.877 1.00 2.03 C ATOM 89 O SER A 226 13.914 8.996 7.479 1.00 2.18 O ATOM 90 CB SER A 226 15.752 6.785 7.342 1.00 2.66 C ATOM 91 OG SER A 226 16.348 5.526 7.620 1.00 3.31 O ATOM 0 H SER A 226 13.189 5.022 6.372 1.00 1.95 H new ATOM 0 HA SER A 226 13.836 6.262 8.099 1.00 2.16 H new ATOM 0 HB2 SER A 226 16.193 7.211 6.440 1.00 2.66 H new ATOM 0 HB3 SER A 226 15.959 7.479 8.156 1.00 2.66 H new ATOM 0 HG SER A 226 17.315 5.639 7.732 1.00 3.31 H new ATOM 97 N ILE A 227 12.618 7.955 5.972 1.00 1.95 N ATOM 98 CA ILE A 227 11.833 9.143 5.664 1.00 2.10 C ATOM 99 C ILE A 227 10.590 9.216 6.564 1.00 2.00 C ATOM 100 O ILE A 227 9.729 10.074 6.384 1.00 2.30 O ATOM 101 CB ILE A 227 11.391 9.133 4.185 1.00 2.25 C ATOM 102 CG1 ILE A 227 12.512 8.580 3.304 1.00 2.55 C ATOM 103 CG2 ILE A 227 11.016 10.539 3.723 1.00 2.41 C ATOM 104 CD1 ILE A 227 12.036 8.120 1.949 1.00 2.87 C ATOM 0 H ILE A 227 12.358 7.127 5.436 1.00 1.95 H new ATOM 0 HA ILE A 227 12.460 10.016 5.845 1.00 2.10 H new ATOM 0 HB ILE A 227 10.514 8.492 4.095 1.00 2.25 H new ATOM 0 HG12 ILE A 227 13.273 9.349 3.172 1.00 2.55 H new ATOM 0 HG13 ILE A 227 12.989 7.744 3.817 1.00 2.55 H new ATOM 0 HG21 ILE A 227 10.708 10.508 2.678 1.00 2.41 H new ATOM 0 HG22 ILE A 227 10.195 10.915 4.333 1.00 2.41 H new ATOM 0 HG23 ILE A 227 11.878 11.198 3.828 1.00 2.41 H new ATOM 0 HD11 ILE A 227 12.882 7.740 1.376 1.00 2.87 H new ATOM 0 HD12 ILE A 227 11.296 7.329 2.072 1.00 2.87 H new ATOM 0 HD13 ILE A 227 11.585 8.958 1.418 1.00 2.87 H new ATOM 116 N ASN A 228 10.527 8.314 7.553 1.00 1.79 N ATOM 117 CA ASN A 228 9.346 8.166 8.432 1.00 1.83 C ATOM 118 C ASN A 228 8.165 7.650 7.631 1.00 1.88 C ATOM 119 O ASN A 228 7.006 7.853 7.993 1.00 2.30 O ATOM 120 CB ASN A 228 8.949 9.486 9.110 1.00 2.31 C ATOM 121 CG ASN A 228 10.088 10.117 9.888 1.00 2.87 C ATOM 122 OD1 ASN A 228 10.286 9.820 11.066 1.00 3.55 O ATOM 123 ND2 ASN A 228 10.833 11.002 9.246 1.00 3.10 N ATOM 0 H ASN A 228 11.285 7.667 7.770 1.00 1.79 H new ATOM 0 HA ASN A 228 9.620 7.456 9.212 1.00 1.83 H new ATOM 0 HB2 ASN A 228 8.601 10.188 8.352 1.00 2.31 H new ATOM 0 HB3 ASN A 228 8.112 9.305 9.784 1.00 2.31 H new ATOM 0 HD21 ASN A 228 11.604 11.465 9.728 1.00 3.10 H new ATOM 0 HD22 ASN A 228 10.637 11.221 8.269 1.00 3.10 H new ATOM 130 N THR A 229 8.479 6.951 6.561 1.00 2.19 N ATOM 131 CA THR A 229 7.485 6.553 5.588 1.00 2.52 C ATOM 132 C THR A 229 7.489 5.047 5.372 1.00 2.03 C ATOM 133 O THR A 229 8.194 4.555 4.488 1.00 2.87 O ATOM 134 CB THR A 229 7.815 7.228 4.250 1.00 3.92 C ATOM 135 OG1 THR A 229 9.167 6.914 3.882 1.00 4.47 O ATOM 136 CG2 THR A 229 7.669 8.728 4.334 1.00 4.68 C ATOM 0 H THR A 229 9.427 6.644 6.342 1.00 2.19 H new ATOM 0 HA THR A 229 6.504 6.851 5.958 1.00 2.52 H new ATOM 0 HB THR A 229 7.114 6.855 3.503 1.00 3.92 H new ATOM 0 HG1 THR A 229 9.300 5.944 3.921 1.00 4.47 H new ATOM 0 HG21 THR A 229 7.911 9.172 3.368 1.00 4.68 H new ATOM 0 HG22 THR A 229 6.643 8.979 4.602 1.00 4.68 H new ATOM 0 HG23 THR A 229 8.348 9.118 5.092 1.00 4.68 H new ATOM 144 N PRO A 230 6.728 4.260 6.141 1.00 1.09 N ATOM 145 CA PRO A 230 6.749 2.830 5.939 1.00 1.06 C ATOM 146 C PRO A 230 5.624 2.338 5.037 1.00 1.08 C ATOM 147 O PRO A 230 4.499 2.095 5.480 1.00 1.84 O ATOM 148 CB PRO A 230 6.547 2.324 7.367 1.00 1.66 C ATOM 149 CG PRO A 230 5.694 3.369 8.036 1.00 1.77 C ATOM 150 CD PRO A 230 5.861 4.657 7.255 1.00 1.32 C ATOM 0 HA PRO A 230 7.657 2.485 5.444 1.00 1.06 H new ATOM 0 HB2 PRO A 230 6.057 1.351 7.375 1.00 1.66 H new ATOM 0 HB3 PRO A 230 7.500 2.205 7.882 1.00 1.66 H new ATOM 0 HG2 PRO A 230 4.649 3.061 8.049 1.00 1.77 H new ATOM 0 HG3 PRO A 230 5.999 3.507 9.073 1.00 1.77 H new ATOM 0 HD2 PRO A 230 4.904 5.042 6.903 1.00 1.32 H new ATOM 0 HD3 PRO A 230 6.317 5.440 7.861 1.00 1.32 H new ATOM 158 N LEU A 231 5.934 2.268 3.756 1.00 1.29 N ATOM 159 CA LEU A 231 5.256 1.428 2.795 1.00 1.31 C ATOM 160 C LEU A 231 6.327 0.995 1.786 1.00 0.89 C ATOM 161 O LEU A 231 7.355 1.667 1.697 1.00 1.38 O ATOM 162 CB LEU A 231 4.109 2.211 2.159 1.00 2.04 C ATOM 163 CG LEU A 231 2.927 1.387 1.635 1.00 2.75 C ATOM 164 CD1 LEU A 231 2.366 0.489 2.725 1.00 3.41 C ATOM 165 CD2 LEU A 231 1.838 2.306 1.104 1.00 3.64 C ATOM 0 H LEU A 231 6.691 2.814 3.345 1.00 1.29 H new ATOM 0 HA LEU A 231 4.802 0.543 3.241 1.00 1.31 H new ATOM 0 HB2 LEU A 231 3.731 2.921 2.895 1.00 2.04 H new ATOM 0 HB3 LEU A 231 4.512 2.795 1.331 1.00 2.04 H new ATOM 0 HG LEU A 231 3.287 0.756 0.822 1.00 2.75 H new ATOM 0 HD11 LEU A 231 1.529 -0.085 2.328 1.00 3.41 H new ATOM 0 HD12 LEU A 231 3.143 -0.193 3.070 1.00 3.41 H new ATOM 0 HD13 LEU A 231 2.024 1.101 3.560 1.00 3.41 H new ATOM 0 HD21 LEU A 231 1.005 1.708 0.735 1.00 3.64 H new ATOM 0 HD22 LEU A 231 1.490 2.958 1.905 1.00 3.64 H new ATOM 0 HD23 LEU A 231 2.238 2.912 0.291 1.00 3.64 H new ATOM 177 N PRO A 232 6.160 -0.099 1.031 1.00 1.28 N ATOM 178 CA PRO A 232 7.102 -0.433 -0.047 1.00 1.64 C ATOM 179 C PRO A 232 7.023 0.572 -1.204 1.00 1.09 C ATOM 180 O PRO A 232 5.995 1.212 -1.409 1.00 1.25 O ATOM 181 CB PRO A 232 6.664 -1.829 -0.502 1.00 2.66 C ATOM 182 CG PRO A 232 5.744 -2.323 0.567 1.00 2.98 C ATOM 183 CD PRO A 232 5.109 -1.108 1.171 1.00 2.18 C ATOM 0 HA PRO A 232 8.138 -0.402 0.289 1.00 1.64 H new ATOM 0 HB2 PRO A 232 6.159 -1.787 -1.467 1.00 2.66 H new ATOM 0 HB3 PRO A 232 7.522 -2.491 -0.619 1.00 2.66 H new ATOM 0 HG2 PRO A 232 4.989 -2.991 0.152 1.00 2.98 H new ATOM 0 HG3 PRO A 232 6.292 -2.890 1.320 1.00 2.98 H new ATOM 0 HD2 PRO A 232 4.199 -0.822 0.644 1.00 2.18 H new ATOM 0 HD3 PRO A 232 4.837 -1.268 2.214 1.00 2.18 H new ATOM 191 N ASN A 233 8.111 0.715 -1.954 1.00 0.77 N ATOM 192 CA ASN A 233 8.180 1.692 -3.020 1.00 0.98 C ATOM 193 C ASN A 233 7.637 1.126 -4.331 1.00 0.61 C ATOM 194 O ASN A 233 7.809 -0.062 -4.617 1.00 1.31 O ATOM 195 CB ASN A 233 9.637 2.113 -3.211 1.00 2.09 C ATOM 196 CG ASN A 233 10.288 2.596 -1.926 1.00 2.85 C ATOM 197 OD1 ASN A 233 10.790 1.796 -1.137 1.00 3.08 O ATOM 198 ND2 ASN A 233 10.313 3.903 -1.724 1.00 3.66 N ATOM 0 H ASN A 233 8.959 0.160 -1.837 1.00 0.77 H new ATOM 0 HA ASN A 233 7.567 2.550 -2.745 1.00 0.98 H new ATOM 0 HB2 ASN A 233 10.205 1.270 -3.605 1.00 2.09 H new ATOM 0 HB3 ASN A 233 9.686 2.906 -3.957 1.00 2.09 H new ATOM 0 HD21 ASN A 233 10.760 4.282 -0.889 1.00 3.66 H new ATOM 0 HD22 ASN A 233 9.885 4.532 -2.403 1.00 3.66 H new ATOM 205 N LEU A 234 6.966 1.988 -5.110 1.00 0.89 N ATOM 206 CA LEU A 234 6.664 1.704 -6.523 1.00 0.65 C ATOM 207 C LEU A 234 7.926 1.153 -7.144 1.00 0.63 C ATOM 208 O LEU A 234 7.948 0.096 -7.761 1.00 0.85 O ATOM 209 CB LEU A 234 6.308 3.022 -7.239 1.00 0.57 C ATOM 210 CG LEU A 234 5.662 2.951 -8.637 1.00 0.55 C ATOM 211 CD1 LEU A 234 5.627 4.334 -9.266 1.00 0.90 C ATOM 212 CD2 LEU A 234 6.398 1.993 -9.557 1.00 0.86 C ATOM 0 H LEU A 234 6.621 2.891 -4.785 1.00 0.89 H new ATOM 0 HA LEU A 234 5.834 1.003 -6.609 1.00 0.65 H new ATOM 0 HB2 LEU A 234 5.632 3.579 -6.590 1.00 0.57 H new ATOM 0 HB3 LEU A 234 7.222 3.609 -7.326 1.00 0.57 H new ATOM 0 HG LEU A 234 4.647 2.576 -8.507 1.00 0.55 H new ATOM 0 HD11 LEU A 234 5.169 4.273 -10.253 1.00 0.90 H new ATOM 0 HD12 LEU A 234 5.044 5.006 -8.636 1.00 0.90 H new ATOM 0 HD13 LEU A 234 6.643 4.717 -9.361 1.00 0.90 H new ATOM 0 HD21 LEU A 234 5.908 1.975 -10.531 1.00 0.86 H new ATOM 0 HD22 LEU A 234 7.430 2.323 -9.676 1.00 0.86 H new ATOM 0 HD23 LEU A 234 6.385 0.992 -9.126 1.00 0.86 H new ATOM 224 N GLN A 235 8.967 1.923 -6.919 1.00 0.59 N ATOM 225 CA GLN A 235 10.302 1.671 -7.340 1.00 0.72 C ATOM 226 C GLN A 235 10.703 0.207 -7.274 1.00 0.76 C ATOM 227 O GLN A 235 11.218 -0.357 -8.238 1.00 0.99 O ATOM 228 CB GLN A 235 11.107 2.480 -6.372 1.00 0.79 C ATOM 229 CG GLN A 235 11.996 3.510 -7.009 1.00 1.06 C ATOM 230 CD GLN A 235 13.300 2.934 -7.519 1.00 1.32 C ATOM 231 OE1 GLN A 235 14.293 2.877 -6.793 1.00 1.98 O ATOM 232 NE2 GLN A 235 13.308 2.507 -8.770 1.00 1.70 N ATOM 0 H GLN A 235 8.884 2.798 -6.401 1.00 0.59 H new ATOM 0 HA GLN A 235 10.447 1.932 -8.388 1.00 0.72 H new ATOM 0 HB2 GLN A 235 10.427 2.981 -5.683 1.00 0.79 H new ATOM 0 HB3 GLN A 235 11.722 1.805 -5.777 1.00 0.79 H new ATOM 0 HG2 GLN A 235 11.464 3.979 -7.837 1.00 1.06 H new ATOM 0 HG3 GLN A 235 12.211 4.295 -6.284 1.00 1.06 H new ATOM 0 HE21 GLN A 235 12.463 2.573 -9.337 1.00 1.70 H new ATOM 0 HE22 GLN A 235 14.160 2.112 -9.168 1.00 1.70 H new ATOM 241 N ASN A 236 10.445 -0.400 -6.137 1.00 0.64 N ATOM 242 CA ASN A 236 10.916 -1.737 -5.867 1.00 0.65 C ATOM 243 C ASN A 236 10.041 -2.785 -6.551 1.00 0.57 C ATOM 244 O ASN A 236 10.503 -3.880 -6.871 1.00 0.61 O ATOM 245 CB ASN A 236 10.963 -1.966 -4.357 1.00 0.75 C ATOM 246 CG ASN A 236 11.897 -1.001 -3.645 1.00 0.95 C ATOM 247 OD1 ASN A 236 12.860 -0.506 -4.227 1.00 1.48 O ATOM 248 ND2 ASN A 236 11.625 -0.737 -2.376 1.00 1.06 N ATOM 0 H ASN A 236 9.906 0.018 -5.378 1.00 0.64 H new ATOM 0 HA ASN A 236 11.921 -1.842 -6.276 1.00 0.65 H new ATOM 0 HB2 ASN A 236 9.959 -1.862 -3.947 1.00 0.75 H new ATOM 0 HB3 ASN A 236 11.284 -2.989 -4.159 1.00 0.75 H new ATOM 0 HD21 ASN A 236 12.224 -0.103 -1.847 1.00 1.06 H new ATOM 0 HD22 ASN A 236 10.816 -1.167 -1.928 1.00 1.06 H new ATOM 255 N GLY A 237 8.780 -2.441 -6.781 1.00 0.55 N ATOM 256 CA GLY A 237 7.878 -3.346 -7.439 1.00 0.52 C ATOM 257 C GLY A 237 7.212 -2.717 -8.661 1.00 0.52 C ATOM 258 O GLY A 237 7.823 -2.657 -9.730 1.00 0.65 O ATOM 0 H GLY A 237 8.371 -1.544 -6.519 1.00 0.55 H new ATOM 0 HA2 GLY A 237 8.423 -4.239 -7.745 1.00 0.52 H new ATOM 0 HA3 GLY A 237 7.110 -3.666 -6.734 1.00 0.52 H new ATOM 262 N PRO A 238 5.956 -2.239 -8.532 1.00 0.40 N ATOM 263 CA PRO A 238 5.203 -2.272 -7.280 1.00 0.28 C ATOM 264 C PRO A 238 4.860 -3.637 -6.837 1.00 0.28 C ATOM 265 O PRO A 238 4.514 -4.534 -7.607 1.00 0.41 O ATOM 266 CB PRO A 238 3.966 -1.438 -7.567 1.00 0.25 C ATOM 267 CG PRO A 238 3.772 -1.579 -9.021 1.00 0.59 C ATOM 268 CD PRO A 238 5.165 -1.613 -9.602 1.00 0.43 C ATOM 0 HA PRO A 238 5.793 -1.879 -6.452 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.101 -1.802 -7.012 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.112 -0.396 -7.283 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.223 -2.490 -9.259 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.197 -0.746 -9.425 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.203 -2.193 -10.524 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.528 -0.613 -9.839 1.00 0.43 H new ATOM 276 N PHE A 239 4.997 -3.759 -5.559 1.00 0.24 N ATOM 277 CA PHE A 239 4.921 -5.018 -4.917 1.00 0.26 C ATOM 278 C PHE A 239 3.478 -5.370 -4.661 1.00 0.22 C ATOM 279 O PHE A 239 2.615 -4.494 -4.643 1.00 0.26 O ATOM 280 CB PHE A 239 5.686 -5.000 -3.602 1.00 0.38 C ATOM 281 CG PHE A 239 7.184 -5.053 -3.718 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.800 -5.840 -4.673 1.00 0.56 C ATOM 283 CD2 PHE A 239 7.977 -4.354 -2.826 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.176 -5.924 -4.741 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.352 -4.428 -2.893 1.00 0.79 C ATOM 286 CZ PHE A 239 9.953 -5.218 -3.851 1.00 0.78 C ATOM 0 H PHE A 239 5.167 -2.975 -4.928 1.00 0.24 H new ATOM 0 HA PHE A 239 5.371 -5.767 -5.568 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.414 -4.096 -3.057 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.357 -5.847 -3.000 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.197 -6.396 -5.375 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.513 -3.742 -2.067 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.643 -6.544 -5.492 1.00 0.71 H new ATOM 0 HE2 PHE A 239 9.958 -3.868 -2.196 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.030 -5.282 -3.902 1.00 0.78 H new ATOM 296 N TYR A 240 3.215 -6.634 -4.439 1.00 0.22 N ATOM 297 CA TYR A 240 1.923 -7.035 -4.009 1.00 0.21 C ATOM 298 C TYR A 240 2.018 -7.053 -2.525 1.00 0.19 C ATOM 299 O TYR A 240 3.117 -7.178 -1.998 1.00 0.23 O ATOM 300 CB TYR A 240 1.561 -8.424 -4.543 1.00 0.24 C ATOM 301 CG TYR A 240 0.636 -8.452 -5.743 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.016 -7.312 -6.190 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.384 -9.649 -6.405 1.00 0.64 C ATOM 304 CE1 TYR A 240 -0.886 -7.361 -7.255 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.483 -9.703 -7.480 1.00 0.79 C ATOM 306 CZ TYR A 240 -1.116 -8.556 -7.900 1.00 0.69 C ATOM 307 OH TYR A 240 -1.987 -8.597 -8.969 1.00 0.88 O ATOM 0 H TYR A 240 3.886 -7.393 -4.552 1.00 0.22 H new ATOM 0 HA TYR A 240 1.145 -6.364 -4.374 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.483 -8.942 -4.807 1.00 0.24 H new ATOM 0 HB3 TYR A 240 1.096 -8.992 -3.737 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.162 -6.370 -5.693 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.874 -10.552 -6.073 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.388 -6.463 -7.585 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -0.662 -10.640 -7.987 1.00 0.79 H new ATOM 0 HH TYR A 240 -2.039 -9.513 -9.314 1.00 0.88 H new ATOM 317 N ALA A 241 0.944 -6.850 -1.837 1.00 0.14 N ATOM 318 CA ALA A 241 1.000 -6.992 -0.425 1.00 0.15 C ATOM 319 C ALA A 241 -0.319 -7.419 0.140 1.00 0.11 C ATOM 320 O ALA A 241 -1.338 -6.804 -0.117 1.00 0.12 O ATOM 321 CB ALA A 241 1.489 -5.707 0.214 1.00 0.24 C ATOM 0 H ALA A 241 0.035 -6.591 -2.221 1.00 0.14 H new ATOM 0 HA ALA A 241 1.714 -7.782 -0.192 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.527 -5.830 1.296 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.485 -5.471 -0.159 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.807 -4.894 -0.035 1.00 0.24 H new ATOM 327 N ARG A 242 -0.301 -8.463 0.936 1.00 0.10 N ATOM 328 CA ARG A 242 -1.514 -8.999 1.443 1.00 0.08 C ATOM 329 C ARG A 242 -1.979 -8.123 2.584 1.00 0.08 C ATOM 330 O ARG A 242 -1.425 -8.162 3.684 1.00 0.11 O ATOM 331 CB ARG A 242 -1.275 -10.415 1.920 1.00 0.10 C ATOM 332 CG ARG A 242 -2.486 -11.075 2.589 1.00 0.10 C ATOM 333 CD ARG A 242 -3.457 -11.664 1.586 1.00 0.11 C ATOM 334 NE ARG A 242 -2.795 -12.493 0.582 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.381 -12.915 -0.539 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.646 -12.594 -0.794 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.706 -13.666 -1.399 1.00 0.43 N ATOM 0 H ARG A 242 0.544 -8.947 1.238 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.280 -9.022 0.668 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.969 -11.024 1.070 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.444 -10.412 2.625 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.142 -11.861 3.261 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -3.005 -10.337 3.201 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.200 -12.263 2.113 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -3.994 -10.856 1.088 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.826 -12.765 0.748 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.171 -12.023 -0.131 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.091 -12.918 -1.652 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.738 -13.921 -1.203 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.155 -13.988 -2.256 1.00 0.43 H new ATOM 351 N VAL A 243 -2.959 -7.303 2.303 1.00 0.07 N ATOM 352 CA VAL A 243 -3.503 -6.427 3.287 1.00 0.08 C ATOM 353 C VAL A 243 -4.091 -7.262 4.394 1.00 0.11 C ATOM 354 O VAL A 243 -4.691 -8.294 4.135 1.00 0.14 O ATOM 355 CB VAL A 243 -4.579 -5.508 2.679 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.692 -6.303 2.039 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.149 -4.626 3.747 1.00 0.18 C ATOM 0 H VAL A 243 -3.396 -7.230 1.384 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.712 -5.787 3.678 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.105 -4.904 1.905 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.432 -5.621 1.621 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.283 -6.926 1.244 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.165 -6.936 2.790 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -5.910 -3.977 3.315 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.598 -5.242 4.526 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.355 -4.017 4.178 1.00 0.18 H new ATOM 367 N ILE A 244 -3.891 -6.855 5.624 1.00 0.12 N ATOM 368 CA ILE A 244 -4.437 -7.626 6.723 1.00 0.16 C ATOM 369 C ILE A 244 -5.223 -6.770 7.661 1.00 0.13 C ATOM 370 O ILE A 244 -5.614 -7.232 8.721 1.00 0.17 O ATOM 371 CB ILE A 244 -3.398 -8.404 7.547 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.126 -7.591 7.780 1.00 0.43 C ATOM 373 CG2 ILE A 244 -3.092 -9.732 6.891 1.00 0.37 C ATOM 374 CD1 ILE A 244 -2.101 -6.877 9.115 1.00 0.61 C ATOM 0 H ILE A 244 -3.370 -6.019 5.889 1.00 0.12 H new ATOM 0 HA ILE A 244 -5.078 -8.356 6.229 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.830 -8.597 8.529 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.264 -8.254 7.716 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.023 -6.856 6.982 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.355 -10.271 7.486 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -4.005 -10.323 6.823 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.695 -9.561 5.890 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -1.169 -6.320 9.212 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.944 -6.188 9.175 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -2.172 -7.608 9.920 1.00 0.61 H new ATOM 386 N GLN A 245 -5.441 -5.537 7.253 1.00 0.11 N ATOM 387 CA GLN A 245 -6.250 -4.590 8.003 1.00 0.12 C ATOM 388 C GLN A 245 -6.402 -3.322 7.206 1.00 0.11 C ATOM 389 O GLN A 245 -5.508 -2.485 7.141 1.00 0.12 O ATOM 390 CB GLN A 245 -5.655 -4.295 9.383 1.00 0.15 C ATOM 391 CG GLN A 245 -6.165 -5.226 10.467 1.00 0.21 C ATOM 392 CD GLN A 245 -5.582 -4.929 11.831 1.00 0.33 C ATOM 393 OE1 GLN A 245 -5.216 -3.791 12.134 1.00 1.05 O ATOM 394 NE2 GLN A 245 -5.498 -5.947 12.666 1.00 1.20 N ATOM 0 H GLN A 245 -5.060 -5.158 6.386 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.231 -5.036 8.171 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.569 -4.373 9.327 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.887 -3.266 9.659 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.251 -5.152 10.519 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.929 -6.255 10.194 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -5.812 -6.873 12.375 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -5.119 -5.808 13.603 1.00 1.20 H new ATOM 403 N LYS A 246 -7.513 -3.243 6.531 1.00 0.12 N ATOM 404 CA LYS A 246 -7.863 -2.079 5.764 1.00 0.12 C ATOM 405 C LYS A 246 -9.333 -1.801 5.989 1.00 0.15 C ATOM 406 O LYS A 246 -10.054 -2.656 6.508 1.00 0.19 O ATOM 407 CB LYS A 246 -7.523 -2.357 4.315 1.00 0.12 C ATOM 408 CG LYS A 246 -7.200 -1.151 3.417 1.00 0.13 C ATOM 409 CD LYS A 246 -5.838 -1.330 2.782 1.00 0.14 C ATOM 410 CE LYS A 246 -4.764 -0.805 3.667 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.413 -0.993 3.069 1.00 0.21 N ATOM 0 H LYS A 246 -8.207 -3.989 6.496 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.310 -1.190 6.066 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.667 -3.031 4.294 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.361 -2.893 3.870 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.961 -1.049 2.643 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.219 -0.234 4.005 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.663 -2.387 2.580 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.809 -0.813 1.823 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.934 0.255 3.855 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.808 -1.311 4.631 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.692 -0.615 3.715 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.240 -2.007 2.913 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.362 -0.489 2.161 1.00 0.21 H new ATOM 425 N ARG A 247 -9.770 -0.631 5.626 1.00 0.16 N ATOM 426 CA ARG A 247 -11.150 -0.264 5.761 1.00 0.16 C ATOM 427 C ARG A 247 -11.801 -0.499 4.417 1.00 0.14 C ATOM 428 O ARG A 247 -11.097 -0.771 3.446 1.00 0.14 O ATOM 429 CB ARG A 247 -11.259 1.209 6.157 1.00 0.17 C ATOM 430 CG ARG A 247 -10.930 2.156 5.018 1.00 0.18 C ATOM 431 CD ARG A 247 -11.000 3.615 5.419 1.00 0.23 C ATOM 432 NE ARG A 247 -12.377 4.092 5.384 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.741 5.324 5.030 1.00 0.63 C ATOM 434 NH1 ARG A 247 -11.829 6.215 4.666 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.024 5.658 5.024 1.00 0.63 N ATOM 0 H ARG A 247 -9.178 0.098 5.227 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.642 -0.854 6.535 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.271 1.411 6.509 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.586 1.406 6.991 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.929 1.935 4.647 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.621 1.978 4.194 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.591 3.742 6.421 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.385 4.213 4.746 1.00 0.23 H new ATOM 0 HE ARG A 247 -13.113 3.437 5.649 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -10.842 5.959 4.656 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -12.115 7.156 4.396 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.731 4.972 5.290 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.304 6.601 4.753 1.00 0.63 H new ATOM 449 N VAL A 248 -13.116 -0.473 4.342 1.00 0.15 N ATOM 450 CA VAL A 248 -13.750 -0.346 3.057 1.00 0.15 C ATOM 451 C VAL A 248 -14.108 1.117 2.814 1.00 0.14 C ATOM 452 O VAL A 248 -15.149 1.608 3.252 1.00 0.16 O ATOM 453 CB VAL A 248 -14.983 -1.260 2.909 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.885 -0.779 1.787 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.533 -2.681 2.630 1.00 0.21 C ATOM 0 H VAL A 248 -13.750 -0.537 5.139 1.00 0.15 H new ATOM 0 HA VAL A 248 -13.043 -0.677 2.297 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.548 -1.229 3.840 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.747 -1.441 1.704 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.225 0.234 2.002 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.332 -0.784 0.848 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.406 -3.325 2.526 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.953 -2.704 1.708 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.916 -3.036 3.456 1.00 0.21 H new ATOM 465 N PRO A 249 -13.185 1.851 2.188 1.00 0.13 N ATOM 466 CA PRO A 249 -13.402 3.181 1.733 1.00 0.15 C ATOM 467 C PRO A 249 -13.758 3.175 0.258 1.00 0.16 C ATOM 468 O PRO A 249 -14.416 2.263 -0.239 1.00 0.17 O ATOM 469 CB PRO A 249 -12.028 3.837 1.943 1.00 0.16 C ATOM 470 CG PRO A 249 -11.041 2.710 1.999 1.00 0.14 C ATOM 471 CD PRO A 249 -11.830 1.450 1.878 1.00 0.13 C ATOM 0 HA PRO A 249 -14.214 3.693 2.249 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.793 4.522 1.128 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -12.009 4.419 2.864 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.313 2.791 1.192 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.482 2.730 2.935 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.758 1.030 0.875 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.472 0.687 2.570 1.00 0.13 H new ATOM 479 N ASN A 250 -13.310 4.196 -0.420 1.00 0.17 N ATOM 480 CA ASN A 250 -13.326 4.244 -1.863 1.00 0.20 C ATOM 481 C ASN A 250 -12.348 5.302 -2.309 1.00 0.21 C ATOM 482 O ASN A 250 -11.693 5.940 -1.482 1.00 0.19 O ATOM 483 CB ASN A 250 -14.721 4.537 -2.435 1.00 0.24 C ATOM 484 CG ASN A 250 -15.399 5.736 -1.796 1.00 0.69 C ATOM 485 OD1 ASN A 250 -14.747 6.682 -1.370 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.719 5.703 -1.730 1.00 1.28 N ATOM 0 H ASN A 250 -12.918 5.030 0.016 1.00 0.17 H new ATOM 0 HA ASN A 250 -13.042 3.262 -2.242 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.636 4.707 -3.508 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.352 3.658 -2.300 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -17.228 6.482 -1.314 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -17.228 4.898 -2.095 1.00 1.28 H new ATOM 493 N ALA A 251 -12.245 5.498 -3.602 1.00 0.26 N ATOM 494 CA ALA A 251 -11.332 6.484 -4.128 1.00 0.31 C ATOM 495 C ALA A 251 -11.856 7.897 -3.909 1.00 0.37 C ATOM 496 O ALA A 251 -11.139 8.873 -4.100 1.00 0.42 O ATOM 497 CB ALA A 251 -11.072 6.221 -5.597 1.00 0.39 C ATOM 0 H ALA A 251 -12.780 4.990 -4.307 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.389 6.401 -3.588 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.382 6.971 -5.984 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.636 5.229 -5.717 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.011 6.273 -6.148 1.00 0.39 H new ATOM 503 N TYR A 252 -13.106 8.001 -3.509 1.00 0.39 N ATOM 504 CA TYR A 252 -13.704 9.289 -3.218 1.00 0.47 C ATOM 505 C TYR A 252 -13.235 9.760 -1.861 1.00 0.46 C ATOM 506 O TYR A 252 -13.105 10.955 -1.595 1.00 0.56 O ATOM 507 CB TYR A 252 -15.220 9.170 -3.212 1.00 0.57 C ATOM 508 CG TYR A 252 -15.804 8.649 -4.500 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.096 8.705 -5.696 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.075 8.108 -4.516 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.647 8.232 -6.870 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.634 7.631 -5.684 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.917 7.697 -6.858 1.00 1.98 C ATOM 514 OH TYR A 252 -17.472 7.225 -8.023 1.00 2.53 O ATOM 0 H TYR A 252 -13.731 7.206 -3.377 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.405 10.004 -3.984 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.518 8.510 -2.398 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.649 10.150 -3.002 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.101 9.125 -5.706 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.641 8.057 -3.598 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.086 8.281 -7.792 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.628 7.208 -5.678 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.371 6.880 -7.841 1.00 2.53 H new ATOM 524 N ASP A 253 -12.970 8.789 -1.019 1.00 0.40 N ATOM 525 CA ASP A 253 -12.582 9.007 0.334 1.00 0.43 C ATOM 526 C ASP A 253 -11.115 9.210 0.406 1.00 0.38 C ATOM 527 O ASP A 253 -10.382 8.273 0.737 1.00 0.34 O ATOM 528 CB ASP A 253 -12.855 7.757 1.109 1.00 0.44 C ATOM 529 CG ASP A 253 -13.587 8.004 2.413 1.00 0.56 C ATOM 530 OD1 ASP A 253 -12.923 8.267 3.438 1.00 0.88 O ATOM 531 OD2 ASP A 253 -14.829 7.922 2.423 1.00 0.80 O ATOM 0 H ASP A 253 -13.023 7.803 -1.274 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.123 9.870 0.722 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.445 7.078 0.493 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -11.910 7.256 1.321 1.00 0.44 H new ATOM 536 N LYS A 254 -10.673 10.402 0.084 1.00 0.43 N ATOM 537 CA LYS A 254 -9.282 10.746 0.245 1.00 0.41 C ATOM 538 C LYS A 254 -8.408 9.873 -0.643 1.00 0.31 C ATOM 539 O LYS A 254 -7.188 9.936 -0.567 1.00 0.28 O ATOM 540 CB LYS A 254 -8.922 10.521 1.705 1.00 0.45 C ATOM 541 CG LYS A 254 -9.887 11.202 2.648 1.00 0.60 C ATOM 542 CD LYS A 254 -9.636 10.813 4.092 1.00 0.74 C ATOM 543 CE LYS A 254 -10.180 9.425 4.389 1.00 0.79 C ATOM 544 NZ LYS A 254 -9.796 8.964 5.745 1.00 1.32 N ATOM 0 H LYS A 254 -11.257 11.150 -0.291 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.116 11.785 -0.041 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -8.910 9.451 1.913 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -7.914 10.893 1.889 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -9.796 12.283 2.542 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -10.909 10.940 2.374 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.566 10.839 4.298 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.106 11.540 4.754 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.266 9.434 4.302 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -9.806 8.721 3.646 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -10.185 8.014 5.912 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -8.759 8.932 5.820 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -10.174 9.622 6.456 1.00 1.32 H new ATOM 558 N THR A 255 -9.075 9.064 -1.464 1.00 0.28 N ATOM 559 CA THR A 255 -8.490 7.965 -2.190 1.00 0.22 C ATOM 560 C THR A 255 -7.925 6.982 -1.196 1.00 0.15 C ATOM 561 O THR A 255 -6.800 7.119 -0.717 1.00 0.14 O ATOM 562 CB THR A 255 -7.446 8.351 -3.280 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.365 9.117 -2.746 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.108 9.128 -4.407 1.00 0.55 C ATOM 0 H THR A 255 -10.074 9.169 -1.641 1.00 0.28 H new ATOM 0 HA THR A 255 -9.293 7.514 -2.773 1.00 0.22 H new ATOM 0 HB THR A 255 -7.039 7.417 -3.668 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.349 9.024 -1.771 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.361 9.388 -5.157 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.884 8.515 -4.865 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.554 10.039 -4.008 1.00 0.55 H new ATOM 572 N ALA A 256 -8.799 6.088 -0.769 1.00 0.13 N ATOM 573 CA ALA A 256 -8.425 5.006 0.106 1.00 0.11 C ATOM 574 C ALA A 256 -8.764 3.628 -0.507 1.00 0.10 C ATOM 575 O ALA A 256 -9.538 3.534 -1.462 1.00 0.12 O ATOM 576 CB ALA A 256 -9.065 5.205 1.465 1.00 0.13 C ATOM 0 H ALA A 256 -9.787 6.097 -1.023 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.343 5.017 0.234 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.780 4.385 2.125 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.726 6.149 1.892 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.149 5.224 1.357 1.00 0.13 H new ATOM 582 N LEU A 257 -8.199 2.569 0.071 1.00 0.10 N ATOM 583 CA LEU A 257 -8.295 1.201 -0.473 1.00 0.09 C ATOM 584 C LEU A 257 -9.466 0.422 0.051 1.00 0.09 C ATOM 585 O LEU A 257 -9.498 0.087 1.231 1.00 0.11 O ATOM 586 CB LEU A 257 -7.043 0.406 -0.092 1.00 0.11 C ATOM 587 CG LEU A 257 -5.858 0.527 -1.011 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.265 0.718 -2.457 1.00 0.27 C ATOM 589 CD2 LEU A 257 -5.006 1.668 -0.522 1.00 0.21 C ATOM 0 H LEU A 257 -7.658 2.628 0.934 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.409 1.325 -1.550 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.733 0.718 0.905 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.316 -0.647 -0.026 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.290 -0.403 -0.989 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.373 0.800 -3.078 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.858 -0.136 -2.784 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.857 1.628 -2.551 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.138 1.778 -1.172 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.589 2.589 -0.536 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.674 1.464 0.496 1.00 0.21 H new ATOM 601 N ALA A 258 -10.380 0.047 -0.836 1.00 0.10 N ATOM 602 CA ALA A 258 -11.494 -0.776 -0.425 1.00 0.11 C ATOM 603 C ALA A 258 -11.126 -2.221 -0.488 1.00 0.11 C ATOM 604 O ALA A 258 -11.228 -2.869 -1.525 1.00 0.14 O ATOM 605 CB ALA A 258 -12.689 -0.522 -1.286 1.00 0.14 C ATOM 0 H ALA A 258 -10.368 0.297 -1.825 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.743 -0.515 0.604 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.515 -1.153 -0.957 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.979 0.526 -1.206 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.446 -0.753 -2.323 1.00 0.14 H new ATOM 611 N LEU A 259 -10.708 -2.722 0.635 1.00 0.10 N ATOM 612 CA LEU A 259 -10.308 -4.095 0.730 1.00 0.12 C ATOM 613 C LEU A 259 -10.433 -4.579 2.160 1.00 0.12 C ATOM 614 O LEU A 259 -10.622 -3.786 3.079 1.00 0.12 O ATOM 615 CB LEU A 259 -8.878 -4.290 0.219 1.00 0.14 C ATOM 616 CG LEU A 259 -8.050 -3.016 0.104 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.647 -3.276 0.571 1.00 0.49 C ATOM 618 CD2 LEU A 259 -8.029 -2.508 -1.322 1.00 0.55 C ATOM 0 H LEU A 259 -10.634 -2.196 1.506 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.971 -4.687 0.100 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.362 -4.980 0.886 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.921 -4.766 -0.761 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.509 -2.253 0.733 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -6.060 -2.361 0.486 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.664 -3.601 1.611 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.197 -4.054 -0.045 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.431 -1.598 -1.375 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.594 -3.267 -1.972 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.047 -2.293 -1.647 1.00 0.55 H new ATOM 630 N GLU A 260 -10.327 -5.875 2.341 1.00 0.15 N ATOM 631 CA GLU A 260 -10.535 -6.471 3.646 1.00 0.16 C ATOM 632 C GLU A 260 -9.228 -7.023 4.183 1.00 0.15 C ATOM 633 O GLU A 260 -8.240 -7.127 3.468 1.00 0.16 O ATOM 634 CB GLU A 260 -11.617 -7.566 3.545 1.00 0.21 C ATOM 635 CG GLU A 260 -11.557 -8.663 4.603 1.00 0.23 C ATOM 636 CD GLU A 260 -12.926 -9.174 5.003 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.435 -10.109 4.350 1.00 0.92 O ATOM 638 OE2 GLU A 260 -13.509 -8.635 5.963 1.00 0.75 O ATOM 0 H GLU A 260 -10.098 -6.540 1.602 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.883 -5.712 4.347 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.595 -7.089 3.600 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.544 -8.032 2.562 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -10.962 -9.494 4.224 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -11.045 -8.281 5.486 1.00 0.23 H new ATOM 645 N VAL A 261 -9.208 -7.297 5.455 1.00 0.16 N ATOM 646 CA VAL A 261 -8.162 -8.081 6.048 1.00 0.16 C ATOM 647 C VAL A 261 -7.972 -9.405 5.310 1.00 0.17 C ATOM 648 O VAL A 261 -8.904 -10.202 5.209 1.00 0.21 O ATOM 649 CB VAL A 261 -8.530 -8.381 7.492 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.538 -9.346 8.112 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.633 -7.079 8.239 1.00 0.18 C ATOM 0 H VAL A 261 -9.920 -6.982 6.114 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.234 -7.513 5.989 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.498 -8.880 7.544 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.822 -9.546 9.145 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.538 -10.279 7.549 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.540 -8.908 8.088 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.897 -7.276 9.278 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.675 -6.560 8.200 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.402 -6.457 7.781 1.00 0.18 H new ATOM 661 N GLY A 262 -6.781 -9.633 4.791 1.00 0.17 N ATOM 662 CA GLY A 262 -6.501 -10.885 4.134 1.00 0.18 C ATOM 663 C GLY A 262 -6.603 -10.770 2.647 1.00 0.17 C ATOM 664 O GLY A 262 -6.420 -11.738 1.909 1.00 0.19 O ATOM 0 H GLY A 262 -6.003 -8.974 4.813 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.500 -11.221 4.404 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.198 -11.644 4.488 1.00 0.18 H new ATOM 668 N GLU A 263 -6.925 -9.585 2.215 1.00 0.16 N ATOM 669 CA GLU A 263 -6.982 -9.269 0.824 1.00 0.17 C ATOM 670 C GLU A 263 -5.605 -8.843 0.346 1.00 0.13 C ATOM 671 O GLU A 263 -4.610 -9.180 0.963 1.00 0.11 O ATOM 672 CB GLU A 263 -8.043 -8.205 0.707 1.00 0.18 C ATOM 673 CG GLU A 263 -9.338 -8.730 1.288 1.00 0.21 C ATOM 674 CD GLU A 263 -10.229 -9.375 0.253 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.939 -8.643 -0.467 1.00 0.84 O ATOM 676 OE2 GLU A 263 -10.241 -10.619 0.171 1.00 0.75 O ATOM 0 H GLU A 263 -7.157 -8.804 2.829 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.249 -10.110 0.184 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.732 -7.304 1.236 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.185 -7.929 -0.338 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.112 -9.456 2.068 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.876 -7.909 1.763 1.00 0.21 H new ATOM 683 N LEU A 264 -5.535 -8.113 -0.723 1.00 0.17 N ATOM 684 CA LEU A 264 -4.248 -7.756 -1.300 1.00 0.18 C ATOM 685 C LEU A 264 -4.280 -6.303 -1.716 1.00 0.17 C ATOM 686 O LEU A 264 -5.338 -5.737 -1.951 1.00 0.31 O ATOM 687 CB LEU A 264 -4.023 -8.693 -2.481 1.00 0.48 C ATOM 688 CG LEU A 264 -2.626 -8.844 -3.127 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.142 -7.577 -3.775 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.593 -9.324 -2.142 1.00 0.83 C ATOM 0 H LEU A 264 -6.345 -7.746 -1.224 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.427 -7.865 -0.592 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.336 -9.687 -2.163 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.707 -8.381 -3.270 1.00 0.48 H new ATOM 0 HG LEU A 264 -2.753 -9.598 -3.904 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.157 -7.744 -4.211 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.839 -7.279 -4.558 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.078 -6.787 -3.027 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.628 -9.415 -2.642 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.512 -8.609 -1.323 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -1.890 -10.296 -1.748 1.00 0.83 H new ATOM 702 N VAL A 265 -3.122 -5.705 -1.742 1.00 0.19 N ATOM 703 CA VAL A 265 -2.967 -4.326 -2.114 1.00 0.19 C ATOM 704 C VAL A 265 -1.588 -4.124 -2.747 1.00 0.24 C ATOM 705 O VAL A 265 -0.612 -4.707 -2.302 1.00 0.47 O ATOM 706 CB VAL A 265 -3.154 -3.437 -0.868 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.885 -3.294 -0.055 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.650 -2.083 -1.223 1.00 0.27 C ATOM 0 H VAL A 265 -2.246 -6.169 -1.502 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.722 -4.044 -2.848 1.00 0.19 H new ATOM 0 HB VAL A 265 -3.900 -3.949 -0.260 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.076 -2.658 0.809 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.557 -4.277 0.283 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.107 -2.844 -0.671 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.768 -1.489 -0.316 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.935 -1.596 -1.885 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.612 -2.169 -1.728 1.00 0.27 H new ATOM 718 N LYS A 266 -1.508 -3.328 -3.794 1.00 0.14 N ATOM 719 CA LYS A 266 -0.266 -3.196 -4.543 1.00 0.15 C ATOM 720 C LYS A 266 0.244 -1.781 -4.524 1.00 0.32 C ATOM 721 O LYS A 266 -0.333 -0.900 -5.137 1.00 0.74 O ATOM 722 CB LYS A 266 -0.496 -3.669 -5.973 1.00 0.26 C ATOM 723 CG LYS A 266 0.704 -3.476 -6.897 1.00 0.42 C ATOM 724 CD LYS A 266 0.528 -2.305 -7.859 1.00 0.57 C ATOM 725 CE LYS A 266 -0.865 -2.277 -8.489 1.00 0.96 C ATOM 726 NZ LYS A 266 -0.951 -1.348 -9.648 1.00 1.84 N ATOM 0 H LYS A 266 -2.281 -2.764 -4.147 1.00 0.14 H new ATOM 0 HA LYS A 266 0.497 -3.815 -4.071 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.761 -4.726 -5.956 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.350 -3.133 -6.388 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.598 -3.314 -6.295 1.00 0.42 H new ATOM 0 HG3 LYS A 266 0.866 -4.389 -7.470 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.702 -1.370 -7.326 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.279 -2.368 -8.646 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -1.133 -3.282 -8.814 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -1.594 -1.980 -7.735 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -1.926 -0.997 -9.740 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 -0.307 -0.545 -9.498 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 -0.680 -1.851 -10.517 1.00 1.84 H new ATOM 740 N VAL A 267 1.360 -1.568 -3.873 1.00 0.14 N ATOM 741 CA VAL A 267 1.803 -0.227 -3.643 1.00 0.16 C ATOM 742 C VAL A 267 2.586 0.276 -4.840 1.00 0.20 C ATOM 743 O VAL A 267 3.704 -0.147 -5.120 1.00 0.23 O ATOM 744 CB VAL A 267 2.601 -0.096 -2.340 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.871 -0.932 -2.361 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.884 1.365 -2.074 1.00 0.22 C ATOM 0 H VAL A 267 1.967 -2.298 -3.500 1.00 0.14 H new ATOM 0 HA VAL A 267 0.922 0.403 -3.521 1.00 0.16 H new ATOM 0 HB VAL A 267 2.002 -0.491 -1.520 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.404 -0.808 -1.418 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.613 -1.982 -2.497 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.508 -0.606 -3.183 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.451 1.463 -1.148 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.462 1.780 -2.900 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.943 1.907 -1.982 1.00 0.22 H new ATOM 756 N THR A 268 1.965 1.211 -5.513 1.00 0.21 N ATOM 757 CA THR A 268 2.379 1.666 -6.809 1.00 0.24 C ATOM 758 C THR A 268 2.629 3.156 -6.806 1.00 0.24 C ATOM 759 O THR A 268 3.010 3.731 -7.820 1.00 0.35 O ATOM 760 CB THR A 268 1.255 1.373 -7.814 1.00 0.26 C ATOM 761 OG1 THR A 268 1.536 1.968 -9.091 1.00 0.31 O ATOM 762 CG2 THR A 268 -0.069 1.903 -7.259 1.00 0.24 C ATOM 0 H THR A 268 1.135 1.688 -5.162 1.00 0.21 H new ATOM 0 HA THR A 268 3.300 1.150 -7.080 1.00 0.24 H new ATOM 0 HB THR A 268 1.185 0.295 -7.959 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.257 2.625 -8.994 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.870 1.697 -7.969 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.289 1.411 -6.311 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.008 2.979 -7.100 1.00 0.24 H new ATOM 770 N LYS A 269 2.393 3.800 -5.689 1.00 0.20 N ATOM 771 CA LYS A 269 2.472 5.226 -5.669 1.00 0.23 C ATOM 772 C LYS A 269 3.464 5.674 -4.628 1.00 0.28 C ATOM 773 O LYS A 269 3.181 5.659 -3.444 1.00 0.45 O ATOM 774 CB LYS A 269 1.101 5.807 -5.360 1.00 0.25 C ATOM 775 CG LYS A 269 0.985 7.307 -5.571 1.00 0.49 C ATOM 776 CD LYS A 269 1.242 7.709 -7.013 1.00 0.59 C ATOM 777 CE LYS A 269 2.662 8.211 -7.214 1.00 0.49 C ATOM 778 NZ LYS A 269 2.924 8.548 -8.637 1.00 1.40 N ATOM 0 H LYS A 269 2.149 3.362 -4.801 1.00 0.20 H new ATOM 0 HA LYS A 269 2.803 5.580 -6.646 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.361 5.308 -5.985 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.850 5.579 -4.324 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.011 7.637 -5.276 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.695 7.819 -4.922 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.063 6.855 -7.666 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.537 8.487 -7.305 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.829 9.092 -6.594 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.368 7.450 -6.883 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 3.902 8.887 -8.739 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 2.788 7.701 -9.225 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.266 9.292 -8.944 1.00 1.40 H new ATOM 792 N ILE A 270 4.641 6.040 -5.050 1.00 0.31 N ATOM 793 CA ILE A 270 5.552 6.657 -4.128 1.00 0.34 C ATOM 794 C ILE A 270 5.393 8.172 -4.176 1.00 0.38 C ATOM 795 O ILE A 270 5.860 8.841 -5.097 1.00 0.42 O ATOM 796 CB ILE A 270 7.032 6.245 -4.325 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.354 5.710 -5.732 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.382 5.175 -3.304 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.861 6.545 -6.899 1.00 1.44 C ATOM 0 H ILE A 270 4.987 5.926 -6.003 1.00 0.31 H new ATOM 0 HA ILE A 270 5.284 6.288 -3.138 1.00 0.34 H new ATOM 0 HB ILE A 270 7.626 7.149 -4.193 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.436 5.606 -5.819 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.929 4.710 -5.823 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.422 4.876 -3.432 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.240 5.571 -2.299 1.00 0.61 H new ATOM 0 HG23 ILE A 270 6.735 4.309 -3.448 1.00 0.61 H new ATOM 0 HD11 ILE A 270 7.148 6.067 -7.835 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.775 6.630 -6.853 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.305 7.539 -6.848 1.00 1.44 H new ATOM 811 N ASN A 271 4.692 8.696 -3.179 1.00 0.40 N ATOM 812 CA ASN A 271 4.377 10.110 -3.109 1.00 0.47 C ATOM 813 C ASN A 271 4.437 10.627 -1.667 1.00 0.49 C ATOM 814 O ASN A 271 4.582 9.834 -0.737 1.00 0.51 O ATOM 815 CB ASN A 271 2.981 10.338 -3.694 1.00 0.52 C ATOM 816 CG ASN A 271 1.862 9.562 -2.995 1.00 0.57 C ATOM 817 OD1 ASN A 271 0.785 9.399 -3.555 1.00 0.94 O ATOM 818 ND2 ASN A 271 2.092 9.062 -1.785 1.00 0.46 N ATOM 0 H ASN A 271 4.328 8.150 -2.398 1.00 0.40 H new ATOM 0 HA ASN A 271 5.118 10.663 -3.686 1.00 0.47 H new ATOM 0 HB2 ASN A 271 2.751 11.402 -3.647 1.00 0.52 H new ATOM 0 HB3 ASN A 271 2.994 10.061 -4.748 1.00 0.52 H new ATOM 0 HD21 ASN A 271 1.365 8.531 -1.306 1.00 0.46 H new ATOM 0 HD22 ASN A 271 2.996 9.209 -1.336 1.00 0.46 H new ATOM 825 N MET A 272 4.268 11.949 -1.501 1.00 0.55 N ATOM 826 CA MET A 272 4.277 12.635 -0.184 1.00 0.61 C ATOM 827 C MET A 272 5.459 12.230 0.708 1.00 0.57 C ATOM 828 O MET A 272 6.400 11.565 0.267 1.00 0.59 O ATOM 829 CB MET A 272 2.938 12.492 0.586 1.00 0.78 C ATOM 830 CG MET A 272 2.130 11.248 0.282 1.00 0.63 C ATOM 831 SD MET A 272 0.537 11.210 1.132 1.00 0.77 S ATOM 832 CE MET A 272 -0.147 9.688 0.481 1.00 0.59 C ATOM 0 H MET A 272 4.119 12.586 -2.284 1.00 0.55 H new ATOM 0 HA MET A 272 4.405 13.689 -0.430 1.00 0.61 H new ATOM 0 HB2 MET A 272 3.152 12.511 1.655 1.00 0.78 H new ATOM 0 HB3 MET A 272 2.321 13.364 0.369 1.00 0.78 H new ATOM 0 HG2 MET A 272 1.963 11.185 -0.793 1.00 0.63 H new ATOM 0 HG3 MET A 272 2.708 10.369 0.567 1.00 0.63 H new ATOM 0 HE1 MET A 272 -1.127 9.511 0.924 1.00 0.59 H new ATOM 0 HE2 MET A 272 -0.247 9.768 -0.601 1.00 0.59 H new ATOM 0 HE3 MET A 272 0.516 8.858 0.724 1.00 0.59 H new ATOM 842 N SER A 273 5.427 12.685 1.957 1.00 0.68 N ATOM 843 CA SER A 273 6.533 12.495 2.873 1.00 0.75 C ATOM 844 C SER A 273 6.115 11.786 4.165 1.00 0.85 C ATOM 845 O SER A 273 6.672 12.049 5.233 1.00 1.04 O ATOM 846 CB SER A 273 7.121 13.866 3.190 1.00 0.89 C ATOM 847 OG SER A 273 6.103 14.855 3.217 1.00 1.24 O ATOM 0 H SER A 273 4.636 13.192 2.355 1.00 0.68 H new ATOM 0 HA SER A 273 7.272 11.851 2.397 1.00 0.75 H new ATOM 0 HB2 SER A 273 7.630 13.835 4.153 1.00 0.89 H new ATOM 0 HB3 SER A 273 7.869 14.128 2.442 1.00 0.89 H new ATOM 0 HG SER A 273 6.500 15.727 3.424 1.00 1.24 H new ATOM 853 N GLY A 274 5.150 10.879 4.081 1.00 0.80 N ATOM 854 CA GLY A 274 4.770 10.117 5.263 1.00 0.97 C ATOM 855 C GLY A 274 4.134 8.788 4.915 1.00 0.85 C ATOM 856 O GLY A 274 4.652 7.729 5.272 1.00 1.00 O ATOM 0 H GLY A 274 4.629 10.657 3.233 1.00 0.80 H new ATOM 0 HA2 GLY A 274 5.652 9.944 5.879 1.00 0.97 H new ATOM 0 HA3 GLY A 274 4.073 10.704 5.862 1.00 0.97 H new ATOM 860 N GLN A 275 3.018 8.837 4.213 1.00 0.69 N ATOM 861 CA GLN A 275 2.356 7.624 3.756 1.00 0.58 C ATOM 862 C GLN A 275 2.338 7.614 2.251 1.00 0.47 C ATOM 863 O GLN A 275 2.509 8.648 1.622 1.00 0.48 O ATOM 864 CB GLN A 275 0.933 7.511 4.316 1.00 0.64 C ATOM 865 CG GLN A 275 0.857 6.673 5.581 1.00 0.79 C ATOM 866 CD GLN A 275 1.620 7.271 6.743 1.00 1.11 C ATOM 867 OE1 GLN A 275 1.669 8.487 6.913 1.00 1.87 O ATOM 868 NE2 GLN A 275 2.255 6.414 7.525 1.00 1.33 N ATOM 0 H GLN A 275 2.549 9.702 3.945 1.00 0.69 H new ATOM 0 HA GLN A 275 2.912 6.761 4.123 1.00 0.58 H new ATOM 0 HB2 GLN A 275 0.551 8.510 4.525 1.00 0.64 H new ATOM 0 HB3 GLN A 275 0.284 7.074 3.558 1.00 0.64 H new ATOM 0 HG2 GLN A 275 -0.188 6.552 5.866 1.00 0.79 H new ATOM 0 HG3 GLN A 275 1.248 5.677 5.373 1.00 0.79 H new ATOM 0 HE21 GLN A 275 2.186 5.412 7.346 1.00 1.33 H new ATOM 0 HE22 GLN A 275 2.814 6.755 8.307 1.00 1.33 H new ATOM 877 N TRP A 276 2.162 6.452 1.669 1.00 0.41 N ATOM 878 CA TRP A 276 2.136 6.357 0.230 1.00 0.33 C ATOM 879 C TRP A 276 0.840 5.706 -0.213 1.00 0.23 C ATOM 880 O TRP A 276 0.008 5.343 0.619 1.00 0.22 O ATOM 881 CB TRP A 276 3.335 5.575 -0.305 1.00 0.41 C ATOM 882 CG TRP A 276 4.617 5.736 0.483 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.906 5.180 1.693 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.787 6.475 0.109 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.177 5.515 2.086 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.736 6.314 1.130 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.125 7.251 -0.986 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.999 6.901 1.077 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.373 7.839 -1.041 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.299 7.660 -0.015 1.00 0.82 C ATOM 0 H TRP A 276 2.036 5.569 2.163 1.00 0.41 H new ATOM 0 HA TRP A 276 2.196 7.365 -0.180 1.00 0.33 H new ATOM 0 HB2 TRP A 276 3.075 4.517 -0.332 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.519 5.884 -1.334 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.229 4.562 2.263 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.630 5.216 2.950 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.419 7.395 -1.790 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.715 6.760 1.873 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.636 8.448 -1.893 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.269 8.130 -0.086 1.00 0.82 H new ATOM 901 N GLU A 277 0.679 5.548 -1.515 1.00 0.19 N ATOM 902 CA GLU A 277 -0.555 5.082 -2.075 1.00 0.16 C ATOM 903 C GLU A 277 -0.374 3.740 -2.703 1.00 0.19 C ATOM 904 O GLU A 277 0.735 3.279 -2.902 1.00 0.48 O ATOM 905 CB GLU A 277 -1.099 6.099 -3.068 1.00 0.15 C ATOM 906 CG GLU A 277 -1.976 7.131 -2.405 1.00 0.23 C ATOM 907 CD GLU A 277 -2.445 8.228 -3.342 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.319 8.054 -4.573 1.00 1.03 O ATOM 909 OE2 GLU A 277 -2.929 9.272 -2.856 1.00 0.92 O ATOM 0 H GLU A 277 1.406 5.742 -2.204 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.287 4.971 -1.275 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.268 6.598 -3.567 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.669 5.582 -3.839 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.847 6.634 -1.978 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.429 7.582 -1.577 1.00 0.23 H new ATOM 916 N GLY A 278 -1.485 3.127 -2.976 1.00 0.39 N ATOM 917 CA GLY A 278 -1.521 1.809 -3.488 1.00 0.34 C ATOM 918 C GLY A 278 -2.671 1.671 -4.429 1.00 0.28 C ATOM 919 O GLY A 278 -3.436 2.611 -4.621 1.00 0.32 O ATOM 0 H GLY A 278 -2.406 3.545 -2.843 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.587 1.582 -4.003 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.617 1.093 -2.672 1.00 0.34 H new ATOM 923 N GLU A 279 -2.796 0.518 -5.005 1.00 0.22 N ATOM 924 CA GLU A 279 -3.861 0.225 -5.901 1.00 0.18 C ATOM 925 C GLU A 279 -4.115 -1.269 -5.873 1.00 0.13 C ATOM 926 O GLU A 279 -3.273 -2.071 -6.272 1.00 0.14 O ATOM 927 CB GLU A 279 -3.530 0.679 -7.302 1.00 0.25 C ATOM 928 CG GLU A 279 -4.704 0.498 -8.216 1.00 0.27 C ATOM 929 CD GLU A 279 -4.497 -0.643 -9.187 1.00 0.66 C ATOM 930 OE1 GLU A 279 -3.590 -0.538 -10.047 1.00 1.08 O ATOM 931 OE2 GLU A 279 -5.214 -1.651 -9.082 1.00 0.99 O ATOM 0 H GLU A 279 -2.149 -0.257 -4.861 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.757 0.761 -5.588 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.234 1.728 -7.288 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.679 0.112 -7.680 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.599 0.311 -7.623 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.876 1.420 -8.772 1.00 0.27 H new ATOM 938 N CYS A 280 -5.252 -1.624 -5.350 1.00 0.10 N ATOM 939 CA CYS A 280 -5.654 -3.003 -5.219 1.00 0.12 C ATOM 940 C CYS A 280 -6.675 -3.359 -6.273 1.00 0.15 C ATOM 941 O CYS A 280 -7.864 -3.144 -6.064 1.00 0.19 O ATOM 942 CB CYS A 280 -6.283 -3.196 -3.861 1.00 0.17 C ATOM 943 SG CYS A 280 -7.285 -4.682 -3.696 1.00 1.52 S ATOM 0 H CYS A 280 -5.939 -0.958 -4.996 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.778 -3.640 -5.339 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -5.493 -3.223 -3.111 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -6.905 -2.329 -3.638 1.00 0.17 H new ATOM 0 HG CYS A 280 -6.702 -5.510 -2.880 1.00 1.52 H new ATOM 949 N ASN A 281 -6.210 -3.879 -7.398 1.00 0.18 N ATOM 950 CA ASN A 281 -7.091 -4.324 -8.477 1.00 0.25 C ATOM 951 C ASN A 281 -8.250 -3.350 -8.699 1.00 0.23 C ATOM 952 O ASN A 281 -9.380 -3.759 -8.966 1.00 0.32 O ATOM 953 CB ASN A 281 -7.626 -5.731 -8.194 1.00 0.33 C ATOM 954 CG ASN A 281 -6.526 -6.777 -8.108 1.00 0.48 C ATOM 955 OD1 ASN A 281 -6.682 -7.799 -7.440 1.00 1.04 O ATOM 956 ND2 ASN A 281 -5.401 -6.528 -8.767 1.00 0.69 N ATOM 0 H ASN A 281 -5.217 -4.006 -7.593 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.498 -4.350 -9.391 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.184 -5.720 -7.258 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.327 -6.012 -8.980 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -4.630 -7.195 -8.730 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.308 -5.670 -9.311 1.00 0.69 H new ATOM 963 N GLY A 282 -7.947 -2.063 -8.607 1.00 0.17 N ATOM 964 CA GLY A 282 -8.922 -1.042 -8.908 1.00 0.18 C ATOM 965 C GLY A 282 -9.429 -0.278 -7.693 1.00 0.16 C ATOM 966 O GLY A 282 -10.325 0.553 -7.820 1.00 0.28 O ATOM 0 H GLY A 282 -7.033 -1.708 -8.326 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.483 -0.333 -9.610 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.771 -1.505 -9.411 1.00 0.18 H new ATOM 970 N LYS A 283 -8.862 -0.536 -6.521 1.00 0.10 N ATOM 971 CA LYS A 283 -8.970 0.421 -5.431 1.00 0.10 C ATOM 972 C LYS A 283 -7.652 1.114 -5.350 1.00 0.09 C ATOM 973 O LYS A 283 -6.630 0.508 -5.623 1.00 0.12 O ATOM 974 CB LYS A 283 -9.244 -0.165 -4.041 1.00 0.11 C ATOM 975 CG LYS A 283 -10.454 -1.069 -3.929 1.00 0.15 C ATOM 976 CD LYS A 283 -10.194 -2.447 -4.507 1.00 0.14 C ATOM 977 CE LYS A 283 -11.436 -3.304 -4.481 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.298 -4.528 -5.313 1.00 0.38 N ATOM 0 H LYS A 283 -8.334 -1.381 -6.305 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.827 1.054 -5.664 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.365 -0.727 -3.726 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.365 0.659 -3.338 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.739 -1.164 -2.881 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.296 -0.612 -4.448 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.839 -2.351 -5.533 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.402 -2.936 -3.940 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.655 -3.590 -3.452 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.285 -2.720 -4.837 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.176 -5.083 -5.263 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -11.115 -4.258 -6.301 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.506 -5.101 -4.959 1.00 0.38 H new ATOM 992 N ARG A 284 -7.657 2.362 -4.984 1.00 0.07 N ATOM 993 CA ARG A 284 -6.425 3.091 -4.835 1.00 0.09 C ATOM 994 C ARG A 284 -6.524 3.980 -3.624 1.00 0.11 C ATOM 995 O ARG A 284 -7.616 4.415 -3.271 1.00 0.13 O ATOM 996 CB ARG A 284 -6.133 3.913 -6.067 1.00 0.11 C ATOM 997 CG ARG A 284 -6.454 3.151 -7.323 1.00 0.20 C ATOM 998 CD ARG A 284 -5.824 3.777 -8.536 1.00 0.35 C ATOM 999 NE ARG A 284 -6.292 3.155 -9.780 1.00 0.68 N ATOM 1000 CZ ARG A 284 -6.962 3.801 -10.738 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -7.249 5.090 -10.602 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -7.347 3.155 -11.832 1.00 1.46 N ATOM 0 H ARG A 284 -8.500 2.900 -4.782 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.606 2.384 -4.705 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.716 4.833 -6.039 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.082 4.202 -6.073 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -6.106 2.123 -7.223 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.535 3.110 -7.456 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -6.053 4.842 -8.555 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.740 3.685 -8.470 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.093 2.165 -9.922 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -6.958 5.592 -9.763 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -7.761 5.579 -11.337 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -7.131 2.164 -11.942 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -7.859 3.650 -12.563 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.408 4.277 -3.005 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.460 5.039 -1.786 1.00 0.14 C ATOM 1018 C GLY A 285 -4.226 4.902 -0.935 1.00 0.15 C ATOM 1019 O GLY A 285 -3.354 4.116 -1.239 1.00 0.24 O ATOM 0 H GLY A 285 -4.474 4.010 -3.317 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.607 6.091 -2.031 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.327 4.723 -1.207 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.170 5.629 0.165 1.00 0.11 N ATOM 1024 CA HIS A 286 -2.968 5.683 0.965 1.00 0.12 C ATOM 1025 C HIS A 286 -3.205 5.098 2.321 1.00 0.12 C ATOM 1026 O HIS A 286 -4.229 5.352 2.948 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.461 7.118 1.103 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.540 8.156 1.176 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.337 8.350 2.283 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.958 9.052 0.256 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.199 9.318 2.036 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.988 9.764 0.812 1.00 0.23 N ATOM 0 H HIS A 286 -4.944 6.189 0.522 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.207 5.093 0.453 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.846 7.188 2.001 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.814 7.344 0.255 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.554 9.183 -0.737 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -5.950 9.684 2.720 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.506 10.515 0.355 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.215 4.362 2.782 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.368 3.498 3.940 1.00 0.11 C ATOM 1043 C PHE A 287 -1.019 2.894 4.320 1.00 0.15 C ATOM 1044 O PHE A 287 -0.402 2.213 3.505 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.347 2.357 3.624 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.818 2.638 3.844 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.269 3.413 4.904 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.749 2.113 2.968 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.620 3.654 5.076 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.095 2.350 3.132 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.534 3.122 4.187 1.00 0.12 C ATOM 0 H PHE A 287 -1.283 4.344 2.368 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.754 4.094 4.767 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.208 2.070 2.582 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.071 1.495 4.232 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.558 3.832 5.601 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.415 1.506 2.140 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -6.960 4.258 5.905 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.806 1.932 2.435 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.589 3.310 4.318 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.546 3.133 5.554 1.00 0.17 N ATOM 1062 CA PRO A 288 0.749 2.635 6.042 1.00 0.23 C ATOM 1063 C PRO A 288 0.903 1.118 5.976 1.00 0.18 C ATOM 1064 O PRO A 288 -0.057 0.366 5.776 1.00 0.16 O ATOM 1065 CB PRO A 288 0.779 3.087 7.507 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.638 3.385 7.839 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.207 3.946 6.580 1.00 0.23 C ATOM 0 HA PRO A 288 1.560 3.020 5.423 1.00 0.23 H new ATOM 0 HB2 PRO A 288 1.182 2.307 8.154 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.410 3.966 7.637 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.170 2.486 8.149 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -0.712 4.098 8.660 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.292 3.846 6.543 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -0.981 5.006 6.468 1.00 0.23 H new ATOM 1075 N PHE A 289 2.140 0.689 6.158 1.00 0.23 N ATOM 1076 CA PHE A 289 2.497 -0.729 6.153 1.00 0.26 C ATOM 1077 C PHE A 289 2.044 -1.426 7.427 1.00 0.23 C ATOM 1078 O PHE A 289 2.053 -2.654 7.507 1.00 0.26 O ATOM 1079 CB PHE A 289 4.007 -0.886 5.970 1.00 0.38 C ATOM 1080 CG PHE A 289 4.546 -2.255 6.279 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.527 -3.242 5.320 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.082 -2.544 7.520 1.00 0.32 C ATOM 1083 CE1 PHE A 289 5.035 -4.499 5.585 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.587 -3.798 7.798 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.566 -4.778 6.828 1.00 0.26 C ATOM 0 H PHE A 289 2.932 1.313 6.314 1.00 0.23 H new ATOM 0 HA PHE A 289 1.981 -1.203 5.318 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.261 -0.636 4.940 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.512 -0.161 6.608 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.109 -3.031 4.347 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.106 -1.779 8.282 1.00 0.32 H new ATOM 0 HE1 PHE A 289 5.017 -5.262 4.821 1.00 0.26 H new ATOM 0 HE2 PHE A 289 5.998 -4.011 8.774 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.963 -5.760 7.040 1.00 0.26 H new ATOM 1095 N THR A 290 1.604 -0.642 8.397 1.00 0.24 N ATOM 1096 CA THR A 290 1.225 -1.140 9.711 1.00 0.27 C ATOM 1097 C THR A 290 0.117 -2.200 9.665 1.00 0.23 C ATOM 1098 O THR A 290 -0.323 -2.681 10.709 1.00 0.28 O ATOM 1099 CB THR A 290 0.777 0.026 10.597 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.036 0.926 9.831 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.977 0.771 11.165 1.00 0.44 C ATOM 0 H THR A 290 1.498 0.367 8.295 1.00 0.24 H new ATOM 0 HA THR A 290 2.109 -1.624 10.126 1.00 0.27 H new ATOM 0 HB THR A 290 0.198 -0.374 11.430 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.324 1.671 10.399 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.632 1.594 11.790 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.579 0.088 11.764 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.581 1.165 10.348 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.326 -2.572 8.468 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.407 -3.522 8.339 1.00 0.16 C ATOM 1111 C HIS A 291 -1.359 -4.214 6.991 1.00 0.14 C ATOM 1112 O HIS A 291 -2.397 -4.574 6.427 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.783 -2.878 8.574 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.963 -1.469 8.085 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -2.513 -1.016 6.866 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -3.618 -0.426 8.648 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -2.894 0.239 6.701 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -3.566 0.622 7.764 1.00 0.77 N ATOM 0 H HIS A 291 0.049 -2.229 7.584 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.268 -4.270 9.120 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.537 -3.503 8.095 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.988 -2.895 9.644 1.00 0.20 H new ATOM 0 HD2 HIS A 291 -4.095 -0.420 9.617 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -2.687 0.850 5.835 1.00 0.19 H new ATOM 0 HE2 HIS A 291 -3.979 1.543 7.907 1.00 0.77 H new ATOM 1127 N VAL A 292 -0.153 -4.384 6.463 1.00 0.16 N ATOM 1128 CA VAL A 292 0.047 -5.218 5.290 1.00 0.15 C ATOM 1129 C VAL A 292 1.188 -6.168 5.469 1.00 0.19 C ATOM 1130 O VAL A 292 2.207 -5.878 6.093 1.00 0.22 O ATOM 1131 CB VAL A 292 0.300 -4.387 4.024 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.916 -3.579 3.668 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.497 -3.482 4.210 1.00 0.31 C ATOM 0 H VAL A 292 0.697 -3.956 6.829 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.879 -5.780 5.170 1.00 0.15 H new ATOM 0 HB VAL A 292 0.510 -5.074 3.204 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.716 -2.997 2.768 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.757 -4.248 3.488 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.158 -2.905 4.489 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.659 -2.902 3.302 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.315 -2.805 5.045 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.381 -4.085 4.418 1.00 0.31 H new ATOM 1143 N ARG A 293 0.950 -7.321 4.929 1.00 0.22 N ATOM 1144 CA ARG A 293 1.973 -8.263 4.647 1.00 0.21 C ATOM 1145 C ARG A 293 2.327 -7.966 3.230 1.00 0.32 C ATOM 1146 O ARG A 293 1.552 -7.300 2.576 1.00 0.70 O ATOM 1147 CB ARG A 293 1.428 -9.665 4.733 1.00 0.19 C ATOM 1148 CG ARG A 293 0.259 -9.820 5.675 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.542 -11.029 5.282 1.00 0.26 C ATOM 1150 NE ARG A 293 0.151 -12.274 5.609 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.388 -13.490 5.507 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.665 -13.636 5.173 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.353 -14.563 5.761 1.00 0.60 N ATOM 0 H ARG A 293 0.016 -7.636 4.668 1.00 0.22 H new ATOM 0 HA ARG A 293 2.813 -8.196 5.338 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.122 -9.985 3.737 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.227 -10.334 5.051 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.615 -9.924 6.700 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.368 -8.929 5.644 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.506 -11.006 5.790 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -0.745 -10.997 4.212 1.00 0.26 H new ATOM 0 HE ARG A 293 1.114 -12.208 5.938 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.242 -12.815 4.992 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -2.069 -14.570 5.097 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.330 -14.455 6.033 1.00 0.60 H new ATOM 0 HH22 ARG A 293 -0.055 -15.495 5.684 1.00 0.60 H new ATOM 1167 N LEU A 294 3.464 -8.352 2.746 1.00 0.18 N ATOM 1168 CA LEU A 294 3.700 -8.157 1.334 1.00 0.18 C ATOM 1169 C LEU A 294 3.896 -9.453 0.568 1.00 0.21 C ATOM 1170 O LEU A 294 3.868 -10.551 1.123 1.00 0.30 O ATOM 1171 CB LEU A 294 4.887 -7.254 1.066 1.00 0.22 C ATOM 1172 CG LEU A 294 5.184 -6.189 2.117 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.408 -5.394 1.719 1.00 0.66 C ATOM 1174 CD2 LEU A 294 3.995 -5.267 2.308 1.00 0.58 C ATOM 0 H LEU A 294 4.221 -8.787 3.273 1.00 0.18 H new ATOM 0 HA LEU A 294 2.789 -7.679 0.974 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.773 -7.879 0.954 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.727 -6.755 0.110 1.00 0.22 H new ATOM 0 HG LEU A 294 5.379 -6.689 3.066 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.612 -4.636 2.476 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.265 -6.063 1.635 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.231 -4.909 0.759 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.233 -4.517 3.062 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.763 -4.772 1.365 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.133 -5.848 2.634 1.00 0.58 H new ATOM 1186 N LEU A 295 4.083 -9.273 -0.728 1.00 0.20 N ATOM 1187 CA LEU A 295 4.237 -10.317 -1.685 1.00 0.22 C ATOM 1188 C LEU A 295 5.332 -9.928 -2.675 1.00 0.28 C ATOM 1189 O LEU A 295 5.901 -8.836 -2.583 1.00 0.31 O ATOM 1190 CB LEU A 295 2.936 -10.435 -2.440 1.00 0.23 C ATOM 1191 CG LEU A 295 2.201 -11.760 -2.343 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.482 -11.820 -1.015 1.00 0.29 C ATOM 1193 CD2 LEU A 295 1.222 -11.915 -3.498 1.00 0.28 C ATOM 0 H LEU A 295 4.132 -8.344 -1.146 1.00 0.20 H new ATOM 0 HA LEU A 295 4.498 -11.254 -1.193 1.00 0.22 H new ATOM 0 HB2 LEU A 295 2.267 -9.650 -2.087 1.00 0.23 H new ATOM 0 HB3 LEU A 295 3.136 -10.235 -3.493 1.00 0.23 H new ATOM 0 HG LEU A 295 2.914 -12.582 -2.406 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.949 -12.767 -0.932 1.00 0.29 H new ATOM 0 HD12 LEU A 295 2.207 -11.739 -0.205 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.771 -10.997 -0.949 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.705 -12.871 -3.411 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.494 -11.104 -3.469 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.765 -11.881 -4.442 1.00 0.28 H new ATOM 1205 N ASP A 296 5.563 -10.770 -3.666 1.00 0.39 N ATOM 1206 CA ASP A 296 6.607 -10.520 -4.641 1.00 0.50 C ATOM 1207 C ASP A 296 6.027 -9.931 -5.917 1.00 0.73 C ATOM 1208 O ASP A 296 5.860 -10.630 -6.915 1.00 1.81 O ATOM 1209 CB ASP A 296 7.403 -11.790 -4.954 1.00 0.84 C ATOM 1210 CG ASP A 296 8.365 -12.169 -3.845 1.00 1.76 C ATOM 1211 OD1 ASP A 296 7.949 -12.861 -2.897 1.00 2.42 O ATOM 1212 OD2 ASP A 296 9.552 -11.789 -3.929 1.00 2.44 O ATOM 0 H ASP A 296 5.041 -11.633 -3.816 1.00 0.39 H new ATOM 0 HA ASP A 296 7.293 -9.795 -4.203 1.00 0.50 H new ATOM 0 HB2 ASP A 296 6.711 -12.614 -5.126 1.00 0.84 H new ATOM 0 HB3 ASP A 296 7.961 -11.645 -5.879 1.00 0.84 H new ATOM 1217 N GLN A 297 5.715 -8.634 -5.834 1.00 0.53 N ATOM 1218 CA GLN A 297 5.300 -7.795 -6.979 1.00 0.41 C ATOM 1219 C GLN A 297 4.417 -8.544 -7.976 1.00 0.64 C ATOM 1220 O GLN A 297 4.922 -8.958 -9.038 1.00 1.25 O ATOM 1221 CB GLN A 297 6.539 -7.216 -7.668 1.00 0.51 C ATOM 1222 CG GLN A 297 7.761 -8.113 -7.570 1.00 0.88 C ATOM 1223 CD GLN A 297 9.002 -7.483 -8.151 1.00 0.87 C ATOM 1224 OE1 GLN A 297 9.844 -8.156 -8.744 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.148 -6.194 -7.921 1.00 1.02 N ATOM 1226 OXT GLN A 297 3.218 -8.718 -7.689 1.00 1.41 O ATOM 0 H GLN A 297 5.742 -8.120 -4.953 1.00 0.53 H new ATOM 0 HA GLN A 297 4.688 -6.983 -6.587 1.00 0.41 H new ATOM 0 HB2 GLN A 297 6.311 -7.039 -8.719 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.772 -6.248 -7.225 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.941 -8.359 -6.524 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.559 -9.051 -8.088 1.00 0.88 H new ATOM 0 HE21 GLN A 297 8.421 -5.679 -7.425 1.00 1.02 H new ATOM 0 HE22 GLN A 297 9.988 -5.711 -8.239 1.00 1.02 H new TER 1235 GLN A 297