USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 572 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 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 273 SER OG : rot 180:sc= -0.384 USER MOD Set 2.1: A 235 GLN : amide:sc= -7.24! C(o=-21!,f=-19!) USER MOD Set 2.2: A 236 ASN : amide:sc= -9.14! C(o=-21!,f=-15!) USER MOD Set 2.3: A 297 GLN : amide:sc= -4.48! C(o=-21!,f=-15!) USER MOD Set 3.1: A 233 ASN : amide:sc= -0.499 X(o=1.2,f=0.98) USER MOD Set 3.2: A 266 LYS NZ :NH3+ -161:sc= 1.31 (180deg=1.22) USER MOD Set 3.3: A 268 THR OG1 : rot 5:sc= 0.412 USER MOD Single : A 228 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 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+ -111:sc= -2.27 (180deg=-7.27!) USER MOD Single : A 250 ASN : amide:sc= -2.56! C(o=-2.6!,f=-2.7!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -129:sc= 0.659 (180deg=-0.648) USER MOD Single : A 255 THR OG1 : rot 180:sc= -2.77! USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= -3.13 K(o=-3.1,f=-11!) USER MOD Single : A 275 GLN : amide:sc= -1.3 K(o=-1.3,f=0) USER MOD Single : A 280 CYS SG : rot 100:sc= 0.179 USER MOD Single : A 281 ASN : amide:sc= -2.23! K(o=-2.2!,f=-0.055) USER MOD Single : A 283 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0736) USER MOD Single : A 286 HIS : no HE2:sc= -0.657 X(o=-0.66,f=-0.42) USER MOD Single : A 290 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 291 HIS : no HE2:sc= -0.959 X(o=-0.96,f=-1) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -11.624 -0.348 1.044 1.00 1.37 N ATOM 98 CA ILE A 227 -10.740 -1.340 1.655 1.00 1.12 C ATOM 99 C ILE A 227 -10.831 -1.323 3.191 1.00 1.27 C ATOM 100 O ILE A 227 -10.050 -0.665 3.881 1.00 1.47 O ATOM 101 CB ILE A 227 -9.255 -1.175 1.185 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.124 -1.486 -0.316 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.325 -2.087 1.977 1.00 1.14 C ATOM 104 CD1 ILE A 227 -9.517 -0.339 -1.220 1.00 1.47 C ATOM 0 HA ILE A 227 -11.089 -2.314 1.311 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.966 -0.139 1.363 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -8.092 -1.766 -0.530 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -9.744 -2.350 -0.553 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.301 -1.952 1.630 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.385 -1.837 3.036 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -8.623 -3.125 1.832 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -9.396 -0.638 -2.261 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -10.558 -0.072 -1.037 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -8.880 0.521 -1.014 1.00 1.47 H new ATOM 116 N ASN A 228 -11.856 -1.998 3.698 1.00 1.52 N ATOM 117 CA ASN A 228 -12.019 -2.268 5.124 1.00 1.82 C ATOM 118 C ASN A 228 -12.739 -3.603 5.290 1.00 1.80 C ATOM 119 O ASN A 228 -13.845 -3.773 4.773 1.00 2.07 O ATOM 120 CB ASN A 228 -12.814 -1.151 5.804 1.00 2.42 C ATOM 121 CG ASN A 228 -12.927 -1.352 7.306 1.00 3.09 C ATOM 122 OD1 ASN A 228 -12.041 -1.926 7.937 1.00 3.44 O ATOM 123 ND2 ASN A 228 -14.019 -0.885 7.887 1.00 3.83 N ATOM 0 H ASN A 228 -12.608 -2.379 3.124 1.00 1.52 H new ATOM 0 HA ASN A 228 -11.038 -2.312 5.596 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -12.334 -0.193 5.603 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -13.813 -1.104 5.370 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -14.149 -0.995 8.893 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -14.732 -0.414 7.330 1.00 3.83 H new ATOM 130 N THR A 229 -12.112 -4.544 5.995 1.00 1.66 N ATOM 131 CA THR A 229 -12.622 -5.920 6.093 1.00 1.67 C ATOM 132 C THR A 229 -12.871 -6.525 4.693 1.00 1.68 C ATOM 133 O THR A 229 -13.928 -7.108 4.432 1.00 2.22 O ATOM 134 CB THR A 229 -13.939 -5.953 6.888 1.00 1.80 C ATOM 135 OG1 THR A 229 -13.841 -5.112 8.049 1.00 1.91 O ATOM 136 CG2 THR A 229 -14.282 -7.371 7.330 1.00 1.88 C ATOM 0 H THR A 229 -11.247 -4.382 6.510 1.00 1.66 H new ATOM 0 HA THR A 229 -11.865 -6.511 6.608 1.00 1.67 H new ATOM 0 HB THR A 229 -14.729 -5.588 6.231 1.00 1.80 H new ATOM 0 HG1 THR A 229 -14.685 -5.140 8.545 1.00 1.91 H new ATOM 0 HG21 THR A 229 -15.218 -7.362 7.889 1.00 1.88 H new ATOM 0 HG22 THR A 229 -14.390 -8.009 6.453 1.00 1.88 H new ATOM 0 HG23 THR A 229 -13.484 -7.757 7.964 1.00 1.88 H new ATOM 144 N PRO A 230 -11.918 -6.382 3.762 1.00 1.34 N ATOM 145 CA PRO A 230 -12.090 -6.763 2.377 1.00 1.46 C ATOM 146 C PRO A 230 -11.296 -8.013 1.982 1.00 1.44 C ATOM 147 O PRO A 230 -10.394 -8.440 2.698 1.00 1.32 O ATOM 148 CB PRO A 230 -11.533 -5.518 1.715 1.00 1.46 C ATOM 149 CG PRO A 230 -10.353 -5.143 2.570 1.00 1.48 C ATOM 150 CD PRO A 230 -10.589 -5.774 3.929 1.00 1.35 C ATOM 0 HA PRO A 230 -13.111 -7.036 2.110 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -11.233 -5.714 0.686 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.273 -4.718 1.684 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -9.424 -5.506 2.130 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -10.264 -4.060 2.655 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -9.829 -6.517 4.171 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -10.577 -5.034 4.729 1.00 1.35 H new ATOM 158 N LEU A 231 -11.691 -8.649 0.891 1.00 1.78 N ATOM 159 CA LEU A 231 -10.872 -9.702 0.297 1.00 1.82 C ATOM 160 C LEU A 231 -9.748 -9.067 -0.527 1.00 1.52 C ATOM 161 O LEU A 231 -9.986 -8.107 -1.254 1.00 1.52 O ATOM 162 CB LEU A 231 -11.725 -10.622 -0.580 1.00 2.34 C ATOM 163 CG LEU A 231 -12.843 -11.361 0.158 1.00 2.79 C ATOM 164 CD1 LEU A 231 -13.658 -12.198 -0.813 1.00 3.30 C ATOM 165 CD2 LEU A 231 -12.266 -12.237 1.261 1.00 3.42 C ATOM 0 H LEU A 231 -12.565 -8.460 0.400 1.00 1.78 H new ATOM 0 HA LEU A 231 -10.438 -10.307 1.093 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -12.168 -10.029 -1.380 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -11.073 -11.357 -1.052 1.00 2.34 H new ATOM 0 HG LEU A 231 -13.502 -10.622 0.614 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -14.449 -12.717 -0.271 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -14.101 -11.550 -1.569 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -13.010 -12.929 -1.296 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -13.076 -12.755 1.775 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -11.586 -12.969 0.826 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -11.723 -11.615 1.973 1.00 3.42 H new ATOM 177 N PRO A 232 -8.503 -9.557 -0.396 1.00 1.40 N ATOM 178 CA PRO A 232 -7.340 -8.975 -1.085 1.00 1.28 C ATOM 179 C PRO A 232 -7.463 -8.930 -2.603 1.00 1.55 C ATOM 180 O PRO A 232 -8.037 -9.825 -3.226 1.00 1.84 O ATOM 181 CB PRO A 232 -6.186 -9.896 -0.692 1.00 1.40 C ATOM 182 CG PRO A 232 -6.618 -10.532 0.575 1.00 1.45 C ATOM 183 CD PRO A 232 -8.113 -10.691 0.464 1.00 1.54 C ATOM 0 HA PRO A 232 -7.215 -7.932 -0.793 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -5.996 -10.642 -1.464 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.261 -9.335 -0.557 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -6.131 -11.497 0.714 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -6.353 -9.914 1.433 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -8.385 -11.648 0.019 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -8.598 -10.644 1.439 1.00 1.54 H new ATOM 191 N ASN A 233 -6.924 -7.853 -3.170 1.00 1.58 N ATOM 192 CA ASN A 233 -6.699 -7.728 -4.609 1.00 2.01 C ATOM 193 C ASN A 233 -7.989 -7.655 -5.422 1.00 1.76 C ATOM 194 O ASN A 233 -8.520 -8.684 -5.851 1.00 2.31 O ATOM 195 CB ASN A 233 -5.816 -8.880 -5.113 1.00 2.67 C ATOM 196 CG ASN A 233 -5.450 -8.744 -6.579 1.00 3.38 C ATOM 197 OD1 ASN A 233 -4.497 -8.049 -6.924 1.00 3.96 O ATOM 198 ND2 ASN A 233 -6.174 -9.430 -7.447 1.00 3.82 N ATOM 0 H ASN A 233 -6.628 -7.034 -2.639 1.00 1.58 H new ATOM 0 HA ASN A 233 -6.187 -6.777 -4.758 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -4.904 -8.919 -4.518 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -6.337 -9.825 -4.960 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -5.948 -9.393 -8.441 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -6.958 -9.996 -7.123 1.00 3.82 H new ATOM 205 N LEU A 234 -8.525 -6.435 -5.560 1.00 1.61 N ATOM 206 CA LEU A 234 -9.508 -6.127 -6.606 1.00 1.90 C ATOM 207 C LEU A 234 -10.845 -6.584 -6.153 1.00 1.69 C ATOM 208 O LEU A 234 -11.518 -7.396 -6.789 1.00 1.91 O ATOM 209 CB LEU A 234 -9.187 -6.790 -7.928 1.00 2.77 C ATOM 210 CG LEU A 234 -8.177 -6.078 -8.830 1.00 3.77 C ATOM 211 CD1 LEU A 234 -8.789 -4.816 -9.415 1.00 4.30 C ATOM 212 CD2 LEU A 234 -6.910 -5.743 -8.066 1.00 4.49 C ATOM 0 H LEU A 234 -8.293 -5.644 -4.959 1.00 1.61 H new ATOM 0 HA LEU A 234 -9.486 -5.049 -6.769 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -8.811 -7.792 -7.723 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -10.117 -6.906 -8.485 1.00 2.77 H new ATOM 0 HG LEU A 234 -7.915 -6.752 -9.645 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -8.059 -4.320 -10.054 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -9.669 -5.077 -10.003 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -9.079 -4.144 -8.607 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -6.208 -5.238 -8.729 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -7.152 -5.089 -7.228 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -6.458 -6.661 -7.691 1.00 4.49 H new ATOM 224 N GLN A 235 -11.184 -6.088 -5.019 1.00 1.58 N ATOM 225 CA GLN A 235 -12.381 -6.446 -4.368 1.00 1.78 C ATOM 226 C GLN A 235 -13.345 -5.305 -4.584 1.00 1.59 C ATOM 227 O GLN A 235 -14.553 -5.474 -4.702 1.00 1.97 O ATOM 228 CB GLN A 235 -12.024 -6.712 -2.915 1.00 2.17 C ATOM 229 CG GLN A 235 -11.976 -5.498 -2.010 1.00 2.56 C ATOM 230 CD GLN A 235 -10.633 -4.798 -2.051 1.00 3.18 C ATOM 231 OE1 GLN A 235 -9.933 -4.797 -3.067 1.00 3.71 O ATOM 232 NE2 GLN A 235 -10.258 -4.207 -0.938 1.00 3.72 N ATOM 0 H GLN A 235 -10.621 -5.407 -4.510 1.00 1.58 H new ATOM 0 HA GLN A 235 -12.862 -7.348 -4.747 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -12.749 -7.417 -2.507 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -11.051 -7.202 -2.884 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -12.757 -4.797 -2.306 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -12.192 -5.803 -0.986 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -10.865 -4.230 -0.119 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -9.360 -3.726 -0.894 1.00 3.72 H new ATOM 241 N ASN A 236 -12.747 -4.136 -4.665 1.00 1.40 N ATOM 242 CA ASN A 236 -13.419 -2.932 -5.085 1.00 1.65 C ATOM 243 C ASN A 236 -12.468 -2.126 -5.959 1.00 1.69 C ATOM 244 O ASN A 236 -12.743 -0.979 -6.296 1.00 2.36 O ATOM 245 CB ASN A 236 -13.883 -2.106 -3.881 1.00 2.09 C ATOM 246 CG ASN A 236 -12.773 -1.816 -2.893 1.00 2.95 C ATOM 247 OD1 ASN A 236 -12.630 -2.492 -1.878 1.00 3.67 O ATOM 248 ND2 ASN A 236 -11.960 -0.830 -3.201 1.00 3.34 N ATOM 0 H ASN A 236 -11.763 -3.996 -4.436 1.00 1.40 H new ATOM 0 HA ASN A 236 -14.310 -3.196 -5.654 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -14.301 -1.164 -4.235 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -14.685 -2.639 -3.370 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -11.177 -0.604 -2.587 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -12.112 -0.291 -4.054 1.00 3.34 H new ATOM 255 N GLY A 237 -11.338 -2.743 -6.307 1.00 1.32 N ATOM 256 CA GLY A 237 -10.306 -2.062 -7.020 1.00 1.67 C ATOM 257 C GLY A 237 -9.148 -1.758 -6.106 1.00 1.38 C ATOM 258 O GLY A 237 -9.330 -1.619 -4.896 1.00 1.70 O ATOM 0 H GLY A 237 -11.132 -3.720 -6.096 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -9.967 -2.675 -7.855 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -10.697 -1.136 -7.442 1.00 1.67 H new ATOM 262 N PRO A 238 -7.941 -1.694 -6.649 1.00 0.90 N ATOM 263 CA PRO A 238 -6.734 -1.443 -5.876 1.00 0.65 C ATOM 264 C PRO A 238 -6.649 -0.023 -5.385 1.00 0.50 C ATOM 265 O PRO A 238 -7.190 0.899 -5.987 1.00 0.76 O ATOM 266 CB PRO A 238 -5.602 -1.728 -6.855 1.00 0.65 C ATOM 267 CG PRO A 238 -6.261 -2.458 -7.970 1.00 0.96 C ATOM 268 CD PRO A 238 -7.633 -1.875 -8.058 1.00 0.88 C ATOM 0 HA PRO A 238 -6.702 -2.061 -4.979 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.135 -0.807 -7.203 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -4.818 -2.329 -6.394 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -5.716 -2.326 -8.905 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.300 -3.529 -7.772 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -7.648 -0.935 -8.609 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.336 -2.545 -8.552 1.00 0.88 H new ATOM 276 N PHE A 239 -5.917 0.134 -4.316 1.00 0.37 N ATOM 277 CA PHE A 239 -5.849 1.394 -3.618 1.00 0.28 C ATOM 278 C PHE A 239 -4.452 1.930 -3.671 1.00 0.27 C ATOM 279 O PHE A 239 -3.490 1.196 -3.509 1.00 0.51 O ATOM 280 CB PHE A 239 -6.320 1.247 -2.161 1.00 0.34 C ATOM 281 CG PHE A 239 -5.757 0.032 -1.495 1.00 0.41 C ATOM 282 CD1 PHE A 239 -6.196 -1.195 -1.899 1.00 0.90 C ATOM 283 CD2 PHE A 239 -4.803 0.109 -0.499 1.00 0.35 C ATOM 284 CE1 PHE A 239 -5.710 -2.349 -1.332 1.00 1.09 C ATOM 285 CE2 PHE A 239 -4.308 -1.039 0.082 1.00 0.35 C ATOM 286 CZ PHE A 239 -4.765 -2.271 -0.333 1.00 0.73 C ATOM 0 H PHE A 239 -5.350 -0.606 -3.902 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.518 2.099 -4.111 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -6.029 2.134 -1.598 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.409 1.198 -2.138 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -6.940 -1.261 -2.679 1.00 0.90 H new ATOM 0 HD2 PHE A 239 -4.443 1.074 -0.174 1.00 0.35 H new ATOM 0 HE1 PHE A 239 -6.067 -3.311 -1.668 1.00 1.09 H new ATOM 0 HE2 PHE A 239 -3.563 -0.973 0.861 1.00 0.35 H new ATOM 0 HZ PHE A 239 -4.383 -3.172 0.124 1.00 0.73 H new ATOM 296 N TYR A 240 -4.339 3.209 -3.887 1.00 0.16 N ATOM 297 CA TYR A 240 -3.037 3.806 -4.068 1.00 0.21 C ATOM 298 C TYR A 240 -2.620 4.433 -2.771 1.00 0.21 C ATOM 299 O TYR A 240 -3.421 5.066 -2.134 1.00 0.36 O ATOM 300 CB TYR A 240 -3.078 4.832 -5.200 1.00 0.25 C ATOM 301 CG TYR A 240 -3.576 4.237 -6.493 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.953 3.127 -7.040 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.671 4.771 -7.159 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.403 2.561 -8.216 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.129 4.214 -8.337 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.492 3.109 -8.863 1.00 0.45 C ATOM 307 OH TYR A 240 -4.950 2.540 -10.032 1.00 0.59 O ATOM 0 H TYR A 240 -5.123 3.859 -3.943 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.306 3.047 -4.348 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.723 5.662 -4.912 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -2.080 5.242 -5.352 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.100 2.697 -6.537 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -5.172 5.635 -6.750 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -2.906 1.695 -8.627 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.982 4.641 -8.844 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.724 3.044 -10.360 1.00 0.59 H new ATOM 317 N ALA A 241 -1.400 4.229 -2.342 1.00 0.17 N ATOM 318 CA ALA A 241 -0.988 4.793 -1.071 1.00 0.19 C ATOM 319 C ALA A 241 0.269 5.628 -1.224 1.00 0.15 C ATOM 320 O ALA A 241 1.275 5.171 -1.767 1.00 0.19 O ATOM 321 CB ALA A 241 -0.792 3.714 -0.020 1.00 0.35 C ATOM 0 H ALA A 241 -0.687 3.692 -2.835 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.791 5.447 -0.731 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.484 4.173 0.919 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.729 3.177 0.129 1.00 0.35 H new ATOM 0 HB3 ALA A 241 -0.023 3.017 -0.353 1.00 0.35 H new ATOM 327 N ARG A 242 0.195 6.856 -0.749 1.00 0.16 N ATOM 328 CA ARG A 242 1.314 7.770 -0.785 1.00 0.16 C ATOM 329 C ARG A 242 2.286 7.413 0.309 1.00 0.14 C ATOM 330 O ARG A 242 1.977 7.529 1.494 1.00 0.23 O ATOM 331 CB ARG A 242 0.840 9.214 -0.580 1.00 0.29 C ATOM 332 CG ARG A 242 1.975 10.232 -0.475 1.00 0.33 C ATOM 333 CD ARG A 242 2.417 10.728 -1.842 1.00 0.79 C ATOM 334 NE ARG A 242 1.330 11.400 -2.555 1.00 1.19 N ATOM 335 CZ ARG A 242 1.453 11.964 -3.758 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.628 11.976 -4.381 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.396 12.526 -4.331 1.00 2.05 N ATOM 0 H ARG A 242 -0.647 7.247 -0.326 1.00 0.16 H new ATOM 0 HA ARG A 242 1.796 7.691 -1.759 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.191 9.494 -1.410 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.237 9.262 0.327 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.650 11.078 0.131 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.823 9.779 0.039 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.255 11.416 -1.726 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.775 9.887 -2.435 1.00 0.79 H new ATOM 0 HE ARG A 242 0.417 11.440 -2.102 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.444 11.552 -3.939 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.713 12.409 -5.300 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.504 12.525 -3.852 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.484 12.959 -5.250 1.00 2.05 H new ATOM 351 N VAL A 243 3.441 6.943 -0.084 1.00 0.10 N ATOM 352 CA VAL A 243 4.489 6.700 0.862 1.00 0.14 C ATOM 353 C VAL A 243 5.107 8.023 1.271 1.00 0.11 C ATOM 354 O VAL A 243 5.803 8.673 0.491 1.00 0.15 O ATOM 355 CB VAL A 243 5.562 5.745 0.301 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.919 6.088 -1.133 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.796 5.773 1.177 1.00 0.32 C ATOM 0 H VAL A 243 3.676 6.722 -1.052 1.00 0.10 H new ATOM 0 HA VAL A 243 4.058 6.210 1.736 1.00 0.14 H new ATOM 0 HB VAL A 243 5.148 4.737 0.304 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.678 5.394 -1.495 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.029 6.011 -1.758 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.307 7.106 -1.178 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.546 5.095 0.771 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.199 6.785 1.205 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.532 5.459 2.187 1.00 0.32 H new ATOM 367 N ILE A 244 4.827 8.438 2.488 1.00 0.13 N ATOM 368 CA ILE A 244 5.372 9.680 2.972 1.00 0.15 C ATOM 369 C ILE A 244 6.705 9.451 3.663 1.00 0.14 C ATOM 370 O ILE A 244 7.458 10.393 3.868 1.00 0.20 O ATOM 371 CB ILE A 244 4.400 10.404 3.916 1.00 0.25 C ATOM 372 CG1 ILE A 244 4.008 9.498 5.081 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.167 10.857 3.147 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.002 10.124 6.011 1.00 0.76 C ATOM 0 H ILE A 244 4.233 7.939 3.150 1.00 0.13 H new ATOM 0 HA ILE A 244 5.530 10.321 2.105 1.00 0.15 H new ATOM 0 HB ILE A 244 4.898 11.283 4.325 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.598 8.568 4.687 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.903 9.238 5.647 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.484 11.369 3.824 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.465 11.537 2.349 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.668 9.989 2.716 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.768 9.427 6.816 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.417 11.039 6.433 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.092 10.359 5.458 1.00 0.76 H new ATOM 386 N GLN A 245 6.979 8.198 4.039 1.00 0.12 N ATOM 387 CA GLN A 245 8.285 7.813 4.581 1.00 0.14 C ATOM 388 C GLN A 245 8.581 6.338 4.348 1.00 0.14 C ATOM 389 O GLN A 245 7.971 5.466 4.962 1.00 0.17 O ATOM 390 CB GLN A 245 8.380 8.113 6.073 1.00 0.21 C ATOM 391 CG GLN A 245 8.474 9.591 6.376 1.00 0.33 C ATOM 392 CD GLN A 245 8.533 9.871 7.861 1.00 0.54 C ATOM 393 OE1 GLN A 245 9.610 9.925 8.453 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.373 10.038 8.473 1.00 1.06 N ATOM 0 H GLN A 245 6.310 7.430 3.977 1.00 0.12 H new ATOM 0 HA GLN A 245 9.027 8.408 4.048 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.506 7.700 6.577 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.254 7.608 6.484 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.362 10.002 5.896 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.613 10.103 5.946 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.504 9.985 7.942 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.347 10.220 9.476 1.00 1.06 H new ATOM 403 N LYS A 246 9.481 6.069 3.421 1.00 0.15 N ATOM 404 CA LYS A 246 10.005 4.729 3.218 1.00 0.16 C ATOM 405 C LYS A 246 11.514 4.782 3.049 1.00 0.22 C ATOM 406 O LYS A 246 12.090 5.853 2.850 1.00 0.29 O ATOM 407 CB LYS A 246 9.386 4.057 1.998 1.00 0.18 C ATOM 408 CG LYS A 246 8.781 2.690 2.289 1.00 0.20 C ATOM 409 CD LYS A 246 7.472 2.803 3.061 1.00 0.29 C ATOM 410 CE LYS A 246 6.370 1.970 2.425 1.00 0.28 C ATOM 411 NZ LYS A 246 5.937 2.521 1.113 1.00 0.36 N ATOM 0 H LYS A 246 9.869 6.769 2.789 1.00 0.15 H new ATOM 0 HA LYS A 246 9.747 4.140 4.098 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.612 4.707 1.591 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.150 3.949 1.228 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.605 2.163 1.351 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.491 2.093 2.862 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.627 2.477 4.090 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.162 3.847 3.101 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.722 0.947 2.290 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.515 1.926 3.099 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.972 2.900 1.197 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.584 3.282 0.826 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.951 1.766 0.398 1.00 0.36 H new ATOM 425 N ARG A 247 12.134 3.626 3.130 1.00 0.27 N ATOM 426 CA ARG A 247 13.533 3.476 2.795 1.00 0.37 C ATOM 427 C ARG A 247 13.574 3.034 1.349 1.00 0.27 C ATOM 428 O ARG A 247 12.533 2.669 0.810 1.00 0.21 O ATOM 429 CB ARG A 247 14.203 2.423 3.687 1.00 0.55 C ATOM 430 CG ARG A 247 13.778 0.997 3.361 1.00 0.69 C ATOM 431 CD ARG A 247 14.328 -0.014 4.351 1.00 0.72 C ATOM 432 NE ARG A 247 15.768 -0.218 4.195 1.00 1.24 N ATOM 433 CZ ARG A 247 16.387 -1.367 4.464 1.00 1.29 C ATOM 434 NH1 ARG A 247 15.681 -2.438 4.809 1.00 1.33 N ATOM 435 NH2 ARG A 247 17.706 -1.454 4.357 1.00 2.10 N ATOM 0 H ARG A 247 11.682 2.762 3.430 1.00 0.27 H new ATOM 0 HA ARG A 247 14.071 4.411 2.948 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.285 2.505 3.583 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.966 2.636 4.729 1.00 0.55 H new ATOM 0 HG2 ARG A 247 12.690 0.938 3.354 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.118 0.740 2.358 1.00 0.69 H new ATOM 0 HD2 ARG A 247 14.119 0.324 5.366 1.00 0.72 H new ATOM 0 HD3 ARG A 247 13.812 -0.965 4.220 1.00 0.72 H new ATOM 0 HE ARG A 247 16.331 0.564 3.861 1.00 1.24 H new ATOM 0 HH11 ARG A 247 14.664 -2.381 4.868 1.00 1.33 H new ATOM 0 HH12 ARG A 247 16.156 -3.317 5.015 1.00 1.33 H new ATOM 0 HH21 ARG A 247 18.249 -0.640 4.068 1.00 2.10 H new ATOM 0 HH22 ARG A 247 18.177 -2.335 4.563 1.00 2.10 H new ATOM 449 N VAL A 248 14.723 3.094 0.701 1.00 0.32 N ATOM 450 CA VAL A 248 14.829 2.537 -0.632 1.00 0.31 C ATOM 451 C VAL A 248 15.468 1.153 -0.536 1.00 0.26 C ATOM 452 O VAL A 248 16.690 1.014 -0.578 1.00 0.30 O ATOM 453 CB VAL A 248 15.662 3.439 -1.573 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.492 3.004 -3.021 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.272 4.902 -1.401 1.00 1.18 C ATOM 0 H VAL A 248 15.578 3.513 1.067 1.00 0.32 H new ATOM 0 HA VAL A 248 13.828 2.467 -1.057 1.00 0.31 H new ATOM 0 HB VAL A 248 16.713 3.333 -1.306 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.086 3.651 -3.667 1.00 1.12 H new ATOM 0 HG12 VAL A 248 15.827 1.973 -3.133 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.441 3.077 -3.302 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.870 5.519 -2.072 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.215 5.027 -1.638 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.452 5.208 -0.370 1.00 1.18 H new ATOM 465 N PRO A 249 14.639 0.115 -0.371 1.00 0.20 N ATOM 466 CA PRO A 249 15.069 -1.249 -0.178 1.00 0.20 C ATOM 467 C PRO A 249 14.966 -2.086 -1.436 1.00 0.27 C ATOM 468 O PRO A 249 14.423 -1.652 -2.449 1.00 0.34 O ATOM 469 CB PRO A 249 14.078 -1.753 0.871 1.00 0.21 C ATOM 470 CG PRO A 249 12.871 -0.864 0.748 1.00 0.23 C ATOM 471 CD PRO A 249 13.189 0.176 -0.299 1.00 0.22 C ATOM 0 HA PRO A 249 16.118 -1.314 0.110 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.816 -2.796 0.693 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.505 -1.698 1.872 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.994 -1.444 0.461 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.642 -0.391 1.703 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.725 -0.057 -1.257 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.838 1.166 -0.008 1.00 0.22 H new ATOM 479 N ASN A 250 15.515 -3.278 -1.383 1.00 0.31 N ATOM 480 CA ASN A 250 15.348 -4.204 -2.478 1.00 0.39 C ATOM 481 C ASN A 250 14.359 -5.297 -2.144 1.00 0.36 C ATOM 482 O ASN A 250 14.066 -5.576 -0.986 1.00 0.35 O ATOM 483 CB ASN A 250 16.675 -4.804 -2.958 1.00 0.51 C ATOM 484 CG ASN A 250 17.277 -5.895 -2.072 1.00 1.13 C ATOM 485 OD1 ASN A 250 17.957 -6.786 -2.576 1.00 1.97 O ATOM 486 ND2 ASN A 250 17.054 -5.849 -0.767 1.00 1.56 N ATOM 0 H ASN A 250 16.074 -3.626 -0.604 1.00 0.31 H new ATOM 0 HA ASN A 250 14.943 -3.618 -3.303 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.525 -5.216 -3.956 1.00 0.51 H new ATOM 0 HB3 ASN A 250 17.402 -3.998 -3.052 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.450 -6.564 -0.156 1.00 1.56 H new ATOM 0 HD22 ASN A 250 16.486 -5.099 -0.373 1.00 1.56 H new ATOM 493 N ALA A 251 13.872 -5.905 -3.196 1.00 0.43 N ATOM 494 CA ALA A 251 12.871 -6.957 -3.126 1.00 0.48 C ATOM 495 C ALA A 251 13.409 -8.217 -2.458 1.00 0.53 C ATOM 496 O ALA A 251 12.647 -9.121 -2.125 1.00 0.60 O ATOM 497 CB ALA A 251 12.386 -7.280 -4.527 1.00 0.59 C ATOM 0 H ALA A 251 14.162 -5.683 -4.148 1.00 0.43 H new ATOM 0 HA ALA A 251 12.044 -6.595 -2.515 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.635 -8.069 -4.479 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.948 -6.388 -4.975 1.00 0.59 H new ATOM 0 HB3 ALA A 251 13.226 -7.616 -5.135 1.00 0.59 H new ATOM 503 N TYR A 252 14.722 -8.293 -2.287 1.00 0.54 N ATOM 504 CA TYR A 252 15.327 -9.421 -1.597 1.00 0.65 C ATOM 505 C TYR A 252 15.217 -9.218 -0.089 1.00 0.60 C ATOM 506 O TYR A 252 15.424 -10.142 0.700 1.00 0.69 O ATOM 507 CB TYR A 252 16.789 -9.597 -2.019 1.00 0.77 C ATOM 508 CG TYR A 252 17.403 -10.898 -1.553 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.004 -12.105 -2.108 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.376 -10.920 -0.561 1.00 2.46 C ATOM 511 CE1 TYR A 252 17.554 -13.299 -1.688 1.00 2.83 C ATOM 512 CE2 TYR A 252 18.931 -12.111 -0.135 1.00 3.46 C ATOM 513 CZ TYR A 252 18.516 -13.297 -0.703 1.00 3.61 C ATOM 514 OH TYR A 252 19.065 -14.490 -0.283 1.00 4.61 O ATOM 0 H TYR A 252 15.384 -7.590 -2.615 1.00 0.54 H new ATOM 0 HA TYR A 252 14.793 -10.331 -1.870 1.00 0.65 H new ATOM 0 HB2 TYR A 252 16.853 -9.544 -3.106 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.375 -8.767 -1.624 1.00 0.77 H new ATOM 0 HD1 TYR A 252 16.250 -12.110 -2.882 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.703 -9.992 -0.116 1.00 2.46 H new ATOM 0 HE1 TYR A 252 17.231 -14.230 -2.130 1.00 2.83 H new ATOM 0 HE2 TYR A 252 19.685 -12.113 0.638 1.00 3.46 H new ATOM 0 HH TYR A 252 19.729 -14.316 0.416 1.00 4.61 H new ATOM 524 N ASP A 253 14.893 -7.993 0.301 1.00 0.50 N ATOM 525 CA ASP A 253 14.627 -7.671 1.690 1.00 0.51 C ATOM 526 C ASP A 253 13.209 -8.078 2.016 1.00 0.48 C ATOM 527 O ASP A 253 12.293 -7.260 1.963 1.00 0.43 O ATOM 528 CB ASP A 253 14.806 -6.172 1.920 1.00 0.49 C ATOM 529 CG ASP A 253 14.621 -5.774 3.374 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.386 -6.265 4.230 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.704 -4.985 3.680 1.00 1.32 O ATOM 0 H ASP A 253 14.808 -7.200 -0.335 1.00 0.50 H new ATOM 0 HA ASP A 253 15.323 -8.206 2.335 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.802 -5.875 1.590 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.090 -5.627 1.305 1.00 0.49 H new ATOM 536 N LYS A 254 13.038 -9.347 2.370 1.00 0.55 N ATOM 537 CA LYS A 254 11.734 -9.964 2.356 1.00 0.55 C ATOM 538 C LYS A 254 11.199 -9.834 0.947 1.00 0.49 C ATOM 539 O LYS A 254 11.452 -10.696 0.109 1.00 0.54 O ATOM 540 CB LYS A 254 10.785 -9.346 3.394 1.00 0.57 C ATOM 541 CG LYS A 254 11.144 -9.707 4.830 1.00 0.73 C ATOM 542 CD LYS A 254 11.440 -8.475 5.674 1.00 1.32 C ATOM 543 CE LYS A 254 12.682 -7.757 5.189 1.00 1.62 C ATOM 544 NZ LYS A 254 12.954 -6.509 5.945 1.00 2.40 N ATOM 0 H LYS A 254 13.794 -9.963 2.670 1.00 0.55 H new ATOM 0 HA LYS A 254 11.811 -11.014 2.638 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.796 -8.261 3.286 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.767 -9.676 3.187 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.322 -10.265 5.279 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.014 -10.364 4.831 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.588 -7.795 5.639 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.571 -8.769 6.715 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.540 -8.424 5.276 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.569 -7.519 4.131 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 13.097 -5.724 5.279 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 12.146 -6.295 6.564 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.810 -6.633 6.523 1.00 2.40 H new ATOM 558 N THR A 255 10.467 -8.766 0.690 1.00 0.42 N ATOM 559 CA THR A 255 10.102 -8.402 -0.671 1.00 0.39 C ATOM 560 C THR A 255 10.162 -6.892 -0.899 1.00 0.31 C ATOM 561 O THR A 255 9.796 -6.426 -1.959 1.00 0.32 O ATOM 562 CB THR A 255 8.711 -8.944 -1.042 1.00 0.47 C ATOM 563 OG1 THR A 255 7.780 -8.675 0.016 1.00 0.49 O ATOM 564 CG2 THR A 255 8.775 -10.439 -1.303 1.00 0.60 C ATOM 0 H THR A 255 10.112 -8.133 1.406 1.00 0.42 H new ATOM 0 HA THR A 255 10.840 -8.865 -1.326 1.00 0.39 H new ATOM 0 HB THR A 255 8.376 -8.444 -1.951 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.897 -9.022 -0.229 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.782 -10.806 -1.564 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.462 -10.636 -2.126 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.126 -10.950 -0.407 1.00 0.60 H new ATOM 572 N ALA A 256 10.718 -6.181 0.077 1.00 0.26 N ATOM 573 CA ALA A 256 10.535 -4.731 0.283 1.00 0.21 C ATOM 574 C ALA A 256 10.273 -3.858 -0.956 1.00 0.17 C ATOM 575 O ALA A 256 10.997 -3.902 -1.951 1.00 0.21 O ATOM 576 CB ALA A 256 11.717 -4.186 1.054 1.00 0.23 C ATOM 0 H ALA A 256 11.330 -6.604 0.775 1.00 0.26 H new ATOM 0 HA ALA A 256 9.599 -4.661 0.837 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.588 -3.115 1.209 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.784 -4.687 2.020 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.632 -4.363 0.489 1.00 0.23 H new ATOM 582 N LEU A 257 9.216 -3.032 -0.831 1.00 0.14 N ATOM 583 CA LEU A 257 8.894 -1.972 -1.791 1.00 0.14 C ATOM 584 C LEU A 257 10.018 -0.955 -1.887 1.00 0.13 C ATOM 585 O LEU A 257 10.319 -0.282 -0.904 1.00 0.15 O ATOM 586 CB LEU A 257 7.639 -1.187 -1.360 1.00 0.15 C ATOM 587 CG LEU A 257 6.288 -1.730 -1.797 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.335 -2.181 -3.244 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.841 -2.838 -0.877 1.00 0.21 C ATOM 0 H LEU A 257 8.560 -3.087 -0.052 1.00 0.14 H new ATOM 0 HA LEU A 257 8.734 -2.472 -2.746 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.640 -1.122 -0.272 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.732 -0.170 -1.740 1.00 0.15 H new ATOM 0 HG LEU A 257 5.550 -0.931 -1.730 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.358 -2.566 -3.537 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.597 -1.336 -3.880 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.083 -2.966 -3.356 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.872 -3.215 -1.205 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.571 -3.647 -0.900 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.756 -2.455 0.140 1.00 0.21 H new ATOM 601 N ALA A 258 10.600 -0.804 -3.064 1.00 0.14 N ATOM 602 CA ALA A 258 11.611 0.219 -3.267 1.00 0.16 C ATOM 603 C ALA A 258 10.956 1.539 -3.667 1.00 0.17 C ATOM 604 O ALA A 258 10.603 1.737 -4.830 1.00 0.24 O ATOM 605 CB ALA A 258 12.602 -0.229 -4.327 1.00 0.22 C ATOM 0 H ALA A 258 10.393 -1.371 -3.886 1.00 0.14 H new ATOM 0 HA ALA A 258 12.150 0.373 -2.332 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.355 0.545 -4.471 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.086 -1.151 -4.006 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.077 -0.403 -5.266 1.00 0.22 H new ATOM 611 N LEU A 259 10.773 2.428 -2.693 1.00 0.13 N ATOM 612 CA LEU A 259 10.151 3.729 -2.934 1.00 0.15 C ATOM 613 C LEU A 259 10.557 4.708 -1.836 1.00 0.15 C ATOM 614 O LEU A 259 11.067 4.295 -0.803 1.00 0.18 O ATOM 615 CB LEU A 259 8.619 3.605 -3.047 1.00 0.20 C ATOM 616 CG LEU A 259 8.008 2.329 -2.459 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.237 2.262 -0.963 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.524 2.257 -2.771 1.00 0.55 C ATOM 0 H LEU A 259 11.048 2.270 -1.724 1.00 0.13 H new ATOM 0 HA LEU A 259 10.507 4.116 -3.889 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.166 4.464 -2.551 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.345 3.664 -4.100 1.00 0.20 H new ATOM 0 HG LEU A 259 8.502 1.473 -2.919 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.794 1.348 -0.568 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.308 2.265 -0.758 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.774 3.125 -0.485 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.107 1.344 -2.346 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.019 3.122 -2.340 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.379 2.253 -3.851 1.00 0.55 H new ATOM 630 N GLU A 260 10.317 5.994 -2.046 1.00 0.18 N ATOM 631 CA GLU A 260 10.812 7.013 -1.150 1.00 0.24 C ATOM 632 C GLU A 260 9.678 7.947 -0.756 1.00 0.20 C ATOM 633 O GLU A 260 8.516 7.698 -1.064 1.00 0.21 O ATOM 634 CB GLU A 260 11.972 7.779 -1.809 1.00 0.39 C ATOM 635 CG GLU A 260 11.575 9.087 -2.484 1.00 0.52 C ATOM 636 CD GLU A 260 12.638 9.590 -3.432 1.00 0.96 C ATOM 637 OE1 GLU A 260 12.635 9.173 -4.611 1.00 1.27 O ATOM 638 OE2 GLU A 260 13.481 10.405 -3.005 1.00 1.74 O ATOM 0 H GLU A 260 9.779 6.352 -2.835 1.00 0.18 H new ATOM 0 HA GLU A 260 11.196 6.546 -0.243 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.725 7.992 -1.050 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.441 7.132 -2.550 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.643 8.943 -3.031 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.384 9.843 -1.722 1.00 0.52 H new ATOM 645 N VAL A 261 10.020 8.984 -0.040 1.00 0.33 N ATOM 646 CA VAL A 261 9.062 9.957 0.433 1.00 0.32 C ATOM 647 C VAL A 261 8.451 10.789 -0.691 1.00 0.22 C ATOM 648 O VAL A 261 9.161 11.442 -1.459 1.00 0.28 O ATOM 649 CB VAL A 261 9.761 10.859 1.438 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.863 12.002 1.867 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.188 9.987 2.585 1.00 0.93 C ATOM 0 H VAL A 261 10.981 9.183 0.236 1.00 0.33 H new ATOM 0 HA VAL A 261 8.232 9.423 0.896 1.00 0.32 H new ATOM 0 HB VAL A 261 10.637 11.337 0.999 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.391 12.629 2.586 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.591 12.598 0.996 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.960 11.602 2.329 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.696 10.594 3.334 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.311 9.518 3.032 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.867 9.215 2.222 1.00 0.93 H new ATOM 661 N GLY A 262 7.125 10.743 -0.780 1.00 0.17 N ATOM 662 CA GLY A 262 6.411 11.564 -1.724 1.00 0.20 C ATOM 663 C GLY A 262 5.898 10.753 -2.883 1.00 0.22 C ATOM 664 O GLY A 262 5.234 11.276 -3.777 1.00 0.31 O ATOM 0 H GLY A 262 6.533 10.143 -0.206 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.576 12.054 -1.223 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.068 12.352 -2.092 1.00 0.20 H new ATOM 668 N GLU A 263 6.183 9.463 -2.848 1.00 0.16 N ATOM 669 CA GLU A 263 5.878 8.589 -3.954 1.00 0.18 C ATOM 670 C GLU A 263 4.545 7.889 -3.735 1.00 0.15 C ATOM 671 O GLU A 263 3.859 8.137 -2.740 1.00 0.19 O ATOM 672 CB GLU A 263 7.004 7.578 -4.093 1.00 0.23 C ATOM 673 CG GLU A 263 8.375 8.223 -3.988 1.00 0.26 C ATOM 674 CD GLU A 263 8.711 9.085 -5.188 1.00 0.61 C ATOM 675 OE1 GLU A 263 9.010 8.527 -6.261 1.00 1.02 O ATOM 676 OE2 GLU A 263 8.674 10.329 -5.066 1.00 1.04 O ATOM 0 H GLU A 263 6.629 9.000 -2.056 1.00 0.16 H new ATOM 0 HA GLU A 263 5.793 9.171 -4.872 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.903 6.817 -3.319 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.917 7.070 -5.053 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.417 8.833 -3.085 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.131 7.445 -3.882 1.00 0.26 H new ATOM 683 N LEU A 264 4.186 7.005 -4.643 1.00 0.14 N ATOM 684 CA LEU A 264 2.906 6.329 -4.571 1.00 0.13 C ATOM 685 C LEU A 264 3.081 4.849 -4.794 1.00 0.15 C ATOM 686 O LEU A 264 4.073 4.413 -5.371 1.00 0.24 O ATOM 687 CB LEU A 264 1.940 6.907 -5.606 1.00 0.15 C ATOM 688 CG LEU A 264 0.478 6.508 -5.422 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.083 7.155 -4.173 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.337 6.895 -6.644 1.00 0.18 C ATOM 0 H LEU A 264 4.763 6.737 -5.440 1.00 0.14 H new ATOM 0 HA LEU A 264 2.488 6.486 -3.577 1.00 0.13 H new ATOM 0 HB2 LEU A 264 2.010 7.994 -5.578 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.264 6.592 -6.598 1.00 0.15 H new ATOM 0 HG LEU A 264 0.420 5.426 -5.307 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.126 6.865 -4.050 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.489 6.828 -3.305 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.016 8.239 -4.264 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.377 6.603 -6.495 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.281 7.973 -6.792 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.061 6.387 -7.522 1.00 0.18 H new ATOM 702 N VAL A 265 2.122 4.077 -4.323 1.00 0.14 N ATOM 703 CA VAL A 265 2.179 2.648 -4.471 1.00 0.15 C ATOM 704 C VAL A 265 0.797 2.133 -4.808 1.00 0.15 C ATOM 705 O VAL A 265 -0.211 2.789 -4.534 1.00 0.27 O ATOM 706 CB VAL A 265 2.699 1.958 -3.185 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.587 1.820 -2.167 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.299 0.600 -3.494 1.00 0.41 C ATOM 0 H VAL A 265 1.295 4.422 -3.835 1.00 0.14 H new ATOM 0 HA VAL A 265 2.877 2.413 -5.274 1.00 0.15 H new ATOM 0 HB VAL A 265 3.483 2.587 -2.765 1.00 0.20 H new ATOM 0 HG11 VAL A 265 1.972 1.333 -1.271 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.206 2.808 -1.908 1.00 0.40 H new ATOM 0 HG13 VAL A 265 0.781 1.219 -2.588 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.655 0.141 -2.572 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.541 -0.038 -3.948 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.133 0.720 -4.185 1.00 0.41 H new ATOM 718 N LYS A 266 0.763 0.971 -5.396 1.00 0.13 N ATOM 719 CA LYS A 266 -0.471 0.310 -5.726 1.00 0.15 C ATOM 720 C LYS A 266 -0.513 -0.976 -4.914 1.00 0.13 C ATOM 721 O LYS A 266 0.116 -1.965 -5.262 1.00 0.14 O ATOM 722 CB LYS A 266 -0.506 0.064 -7.253 1.00 0.24 C ATOM 723 CG LYS A 266 -1.716 -0.695 -7.793 1.00 0.85 C ATOM 724 CD LYS A 266 -1.513 -2.192 -7.669 1.00 0.49 C ATOM 725 CE LYS A 266 -2.349 -2.985 -8.665 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.903 -4.406 -8.742 1.00 1.32 N ATOM 0 H LYS A 266 1.598 0.450 -5.663 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.352 0.904 -5.482 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.457 1.030 -7.755 1.00 0.24 H new ATOM 0 HB3 LYS A 266 0.393 -0.486 -7.531 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -2.611 -0.398 -7.246 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -1.880 -0.431 -8.838 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -0.459 -2.425 -7.820 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -1.767 -2.506 -6.657 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -3.398 -2.947 -8.373 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -2.276 -2.525 -9.651 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -2.250 -4.831 -9.625 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -0.864 -4.445 -8.724 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -2.283 -4.934 -7.931 1.00 1.32 H new ATOM 740 N VAL A 267 -1.228 -0.942 -3.809 1.00 0.16 N ATOM 741 CA VAL A 267 -1.255 -2.062 -2.899 1.00 0.16 C ATOM 742 C VAL A 267 -2.179 -3.147 -3.441 1.00 0.17 C ATOM 743 O VAL A 267 -3.392 -2.961 -3.547 1.00 0.25 O ATOM 744 CB VAL A 267 -1.709 -1.651 -1.483 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.309 -2.698 -0.482 1.00 0.55 C ATOM 746 CG2 VAL A 267 -1.136 -0.308 -1.075 1.00 0.63 C ATOM 0 H VAL A 267 -1.799 -0.147 -3.521 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.237 -2.444 -2.820 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.795 -1.562 -1.503 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.636 -2.394 0.512 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.775 -3.648 -0.743 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.225 -2.812 -0.488 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.480 -0.055 -0.072 1.00 0.63 H new ATOM 0 HG22 VAL A 267 -0.047 -0.359 -1.083 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.468 0.458 -1.776 1.00 0.63 H new ATOM 756 N THR A 268 -1.585 -4.265 -3.810 1.00 0.15 N ATOM 757 CA THR A 268 -2.300 -5.381 -4.377 1.00 0.19 C ATOM 758 C THR A 268 -2.760 -6.350 -3.276 1.00 0.22 C ATOM 759 O THR A 268 -3.464 -7.321 -3.545 1.00 0.34 O ATOM 760 CB THR A 268 -1.393 -6.110 -5.395 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.152 -7.014 -6.198 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.268 -6.867 -4.696 1.00 0.29 C ATOM 0 H THR A 268 -0.581 -4.421 -3.722 1.00 0.15 H new ATOM 0 HA THR A 268 -3.188 -5.009 -4.888 1.00 0.19 H new ATOM 0 HB THR A 268 -0.952 -5.348 -6.037 1.00 0.24 H new ATOM 0 HG1 THR A 268 -3.104 -6.924 -5.982 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.351 -7.368 -5.440 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.344 -6.166 -4.128 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.694 -7.608 -4.020 1.00 0.29 H new ATOM 770 N LYS A 269 -2.357 -6.076 -2.038 1.00 0.18 N ATOM 771 CA LYS A 269 -2.690 -6.929 -0.906 1.00 0.20 C ATOM 772 C LYS A 269 -3.321 -6.090 0.192 1.00 0.22 C ATOM 773 O LYS A 269 -2.814 -5.036 0.522 1.00 0.35 O ATOM 774 CB LYS A 269 -1.410 -7.597 -0.406 1.00 0.23 C ATOM 775 CG LYS A 269 -1.592 -8.753 0.561 1.00 0.40 C ATOM 776 CD LYS A 269 -1.676 -10.105 -0.140 1.00 1.55 C ATOM 777 CE LYS A 269 -2.675 -10.121 -1.281 1.00 2.25 C ATOM 778 NZ LYS A 269 -2.883 -11.494 -1.811 1.00 2.84 N ATOM 0 H LYS A 269 -1.794 -5.261 -1.794 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.403 -7.697 -1.205 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.851 -7.957 -1.270 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.794 -6.839 0.078 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -0.760 -8.766 1.265 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.500 -8.594 1.143 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.691 -10.371 -0.523 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.952 -10.869 0.587 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.627 -9.716 -0.937 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -2.323 -9.471 -2.082 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -3.572 -11.465 -2.589 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -1.980 -11.871 -2.162 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -3.243 -12.108 -1.053 1.00 2.84 H new ATOM 792 N ILE A 270 -4.433 -6.544 0.739 1.00 0.33 N ATOM 793 CA ILE A 270 -5.103 -5.797 1.796 1.00 0.39 C ATOM 794 C ILE A 270 -4.869 -6.457 3.143 1.00 0.55 C ATOM 795 O ILE A 270 -4.381 -7.586 3.206 1.00 0.73 O ATOM 796 CB ILE A 270 -6.625 -5.642 1.538 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.329 -7.000 1.439 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.865 -4.843 0.267 1.00 1.09 C ATOM 799 CD1 ILE A 270 -7.592 -7.677 2.770 1.00 1.90 C ATOM 0 H ILE A 270 -4.890 -7.417 0.475 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.670 -4.797 1.801 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.047 -5.108 2.390 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -8.279 -6.864 0.922 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -6.723 -7.664 0.823 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.937 -4.742 0.098 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.419 -3.854 0.369 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.411 -5.360 -0.579 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -8.093 -8.630 2.601 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -6.646 -7.850 3.283 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -8.227 -7.038 3.384 1.00 1.90 H new ATOM 811 N ASN A 271 -5.208 -5.754 4.212 1.00 0.60 N ATOM 812 CA ASN A 271 -5.128 -6.321 5.550 1.00 0.82 C ATOM 813 C ASN A 271 -5.882 -5.440 6.540 1.00 0.70 C ATOM 814 O ASN A 271 -6.391 -4.379 6.175 1.00 0.87 O ATOM 815 CB ASN A 271 -3.669 -6.467 5.977 1.00 1.17 C ATOM 816 CG ASN A 271 -3.078 -5.155 6.412 1.00 1.58 C ATOM 817 OD1 ASN A 271 -2.940 -4.880 7.604 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.769 -4.317 5.448 1.00 1.88 N ATOM 0 H ASN A 271 -5.541 -4.790 4.180 1.00 0.60 H new ATOM 0 HA ASN A 271 -5.588 -7.309 5.539 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -3.600 -7.185 6.794 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.087 -6.870 5.148 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.398 -3.394 5.674 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -2.901 -4.589 4.474 1.00 1.88 H new ATOM 825 N MET A 272 -5.931 -5.884 7.785 1.00 0.81 N ATOM 826 CA MET A 272 -6.696 -5.207 8.828 1.00 0.97 C ATOM 827 C MET A 272 -5.985 -3.977 9.397 1.00 1.02 C ATOM 828 O MET A 272 -6.609 -2.942 9.620 1.00 1.22 O ATOM 829 CB MET A 272 -6.989 -6.189 9.963 1.00 1.24 C ATOM 830 CG MET A 272 -5.739 -6.872 10.503 1.00 1.30 C ATOM 831 SD MET A 272 -6.052 -7.818 12.008 1.00 2.03 S ATOM 832 CE MET A 272 -4.406 -8.417 12.374 1.00 2.52 C ATOM 0 H MET A 272 -5.444 -6.722 8.104 1.00 0.81 H new ATOM 0 HA MET A 272 -7.619 -4.857 8.365 1.00 0.97 H new ATOM 0 HB2 MET A 272 -7.485 -5.658 10.776 1.00 1.24 H new ATOM 0 HB3 MET A 272 -7.685 -6.948 9.607 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.335 -7.537 9.739 1.00 1.30 H new ATOM 0 HG3 MET A 272 -4.978 -6.119 10.705 1.00 1.30 H new ATOM 0 HE1 MET A 272 -4.432 -9.022 13.281 1.00 2.52 H new ATOM 0 HE2 MET A 272 -4.047 -9.024 11.543 1.00 2.52 H new ATOM 0 HE3 MET A 272 -3.735 -7.571 12.522 1.00 2.52 H new ATOM 842 N SER A 273 -4.689 -4.088 9.615 1.00 0.93 N ATOM 843 CA SER A 273 -3.958 -3.094 10.396 1.00 1.02 C ATOM 844 C SER A 273 -3.269 -2.059 9.510 1.00 0.91 C ATOM 845 O SER A 273 -2.547 -1.193 9.999 1.00 1.14 O ATOM 846 CB SER A 273 -2.923 -3.796 11.277 1.00 1.14 C ATOM 847 OG SER A 273 -3.525 -4.824 12.049 1.00 1.50 O ATOM 0 H SER A 273 -4.115 -4.855 9.264 1.00 0.93 H new ATOM 0 HA SER A 273 -4.680 -2.563 11.016 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.136 -4.219 10.653 1.00 1.14 H new ATOM 0 HB3 SER A 273 -2.450 -3.070 11.938 1.00 1.14 H new ATOM 0 HG SER A 273 -2.843 -5.259 12.603 1.00 1.50 H new ATOM 853 N GLY A 274 -3.484 -2.153 8.209 1.00 0.64 N ATOM 854 CA GLY A 274 -2.860 -1.217 7.298 1.00 0.61 C ATOM 855 C GLY A 274 -1.448 -1.623 6.939 1.00 0.49 C ATOM 856 O GLY A 274 -0.715 -0.857 6.329 1.00 0.57 O ATOM 0 H GLY A 274 -4.076 -2.857 7.768 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.457 -1.144 6.389 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.847 -0.226 7.751 1.00 0.61 H new ATOM 860 N GLN A 275 -1.069 -2.841 7.296 1.00 0.41 N ATOM 861 CA GLN A 275 0.264 -3.329 6.987 1.00 0.40 C ATOM 862 C GLN A 275 0.168 -4.315 5.833 1.00 0.32 C ATOM 863 O GLN A 275 0.126 -5.529 6.035 1.00 0.41 O ATOM 864 CB GLN A 275 0.889 -3.996 8.215 1.00 0.56 C ATOM 865 CG GLN A 275 2.356 -4.346 8.036 1.00 0.69 C ATOM 866 CD GLN A 275 2.937 -5.073 9.230 1.00 0.76 C ATOM 867 OE1 GLN A 275 2.917 -6.300 9.294 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.454 -4.322 10.190 1.00 0.81 N ATOM 0 H GLN A 275 -1.661 -3.504 7.796 1.00 0.41 H new ATOM 0 HA GLN A 275 0.903 -2.494 6.701 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.785 -3.331 9.072 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.333 -4.904 8.447 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.471 -4.967 7.148 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.924 -3.432 7.862 1.00 0.69 H new ATOM 0 HE21 GLN A 275 3.452 -3.306 10.100 1.00 0.81 H new ATOM 0 HE22 GLN A 275 3.855 -4.759 11.020 1.00 0.81 H new ATOM 877 N TRP A 276 0.103 -3.774 4.628 1.00 0.22 N ATOM 878 CA TRP A 276 -0.202 -4.559 3.446 1.00 0.17 C ATOM 879 C TRP A 276 1.021 -4.755 2.580 1.00 0.15 C ATOM 880 O TRP A 276 2.117 -4.291 2.907 1.00 0.19 O ATOM 881 CB TRP A 276 -1.294 -3.879 2.614 1.00 0.18 C ATOM 882 CG TRP A 276 -1.534 -2.439 2.959 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.609 -1.434 2.993 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.791 -1.841 3.290 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.211 -0.255 3.360 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.553 -0.479 3.537 1.00 0.31 C ATOM 887 CE3 TRP A 276 -4.093 -2.331 3.411 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.570 0.399 3.899 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -5.102 -1.458 3.764 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.835 -0.106 4.005 1.00 0.47 C ATOM 0 H TRP A 276 0.259 -2.783 4.443 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.551 -5.533 3.790 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -1.025 -3.947 1.560 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.226 -4.430 2.741 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.440 -1.549 2.765 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.738 0.640 3.481 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.307 -3.374 3.232 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.367 1.442 4.089 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -6.114 -1.824 3.856 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.646 0.552 4.281 1.00 0.47 H new ATOM 901 N GLU A 277 0.812 -5.416 1.455 1.00 0.12 N ATOM 902 CA GLU A 277 1.871 -5.681 0.528 1.00 0.12 C ATOM 903 C GLU A 277 1.697 -4.777 -0.659 1.00 0.11 C ATOM 904 O GLU A 277 0.636 -4.747 -1.245 1.00 0.12 O ATOM 905 CB GLU A 277 1.840 -7.126 0.053 1.00 0.14 C ATOM 906 CG GLU A 277 2.352 -8.157 1.051 1.00 0.19 C ATOM 907 CD GLU A 277 1.539 -8.293 2.326 1.00 1.21 C ATOM 908 OE1 GLU A 277 1.775 -7.529 3.282 1.00 2.07 O ATOM 909 OE2 GLU A 277 0.686 -9.204 2.389 1.00 1.55 O ATOM 0 H GLU A 277 -0.098 -5.778 1.169 1.00 0.12 H new ATOM 0 HA GLU A 277 2.825 -5.503 1.024 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.814 -7.381 -0.212 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.433 -7.203 -0.858 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.387 -9.128 0.558 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.376 -7.899 1.320 1.00 0.19 H new ATOM 916 N GLY A 278 2.735 -4.073 -1.023 1.00 0.13 N ATOM 917 CA GLY A 278 2.618 -3.087 -2.070 1.00 0.12 C ATOM 918 C GLY A 278 3.120 -3.589 -3.382 1.00 0.12 C ATOM 919 O GLY A 278 3.766 -4.634 -3.463 1.00 0.15 O ATOM 0 H GLY A 278 3.666 -4.161 -0.615 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.574 -2.792 -2.172 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.176 -2.194 -1.788 1.00 0.12 H new ATOM 923 N GLU A 279 2.816 -2.836 -4.402 1.00 0.11 N ATOM 924 CA GLU A 279 3.352 -3.065 -5.710 1.00 0.14 C ATOM 925 C GLU A 279 3.594 -1.703 -6.344 1.00 0.17 C ATOM 926 O GLU A 279 2.665 -0.920 -6.517 1.00 0.20 O ATOM 927 CB GLU A 279 2.360 -3.882 -6.538 1.00 0.20 C ATOM 928 CG GLU A 279 2.878 -4.286 -7.903 1.00 0.31 C ATOM 929 CD GLU A 279 1.830 -5.018 -8.721 1.00 1.08 C ATOM 930 OE1 GLU A 279 0.831 -4.384 -9.120 1.00 1.27 O ATOM 931 OE2 GLU A 279 1.997 -6.236 -8.965 1.00 2.07 O ATOM 0 H GLU A 279 2.183 -2.039 -4.346 1.00 0.11 H new ATOM 0 HA GLU A 279 4.285 -3.627 -5.662 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.093 -4.781 -5.982 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.446 -3.302 -6.665 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.203 -3.397 -8.444 1.00 0.31 H new ATOM 0 HG3 GLU A 279 3.754 -4.924 -7.783 1.00 0.31 H new ATOM 938 N CYS A 280 4.833 -1.410 -6.671 1.00 0.20 N ATOM 939 CA CYS A 280 5.177 -0.108 -7.205 1.00 0.27 C ATOM 940 C CYS A 280 6.010 -0.243 -8.459 1.00 0.29 C ATOM 941 O CYS A 280 7.220 -0.457 -8.389 1.00 0.33 O ATOM 942 CB CYS A 280 5.939 0.715 -6.162 1.00 0.39 C ATOM 943 SG CYS A 280 6.415 2.370 -6.719 1.00 0.51 S ATOM 0 H CYS A 280 5.619 -2.053 -6.577 1.00 0.20 H new ATOM 0 HA CYS A 280 4.250 0.407 -7.456 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.321 0.809 -5.269 1.00 0.39 H new ATOM 0 HB3 CYS A 280 6.837 0.170 -5.872 1.00 0.39 H new ATOM 0 HG CYS A 280 5.571 3.243 -6.255 1.00 0.51 H new ATOM 949 N ASN A 281 5.345 -0.152 -9.605 1.00 0.37 N ATOM 950 CA ASN A 281 6.021 -0.155 -10.897 1.00 0.49 C ATOM 951 C ASN A 281 6.935 -1.366 -11.011 1.00 0.45 C ATOM 952 O ASN A 281 8.049 -1.281 -11.526 1.00 0.53 O ATOM 953 CB ASN A 281 6.808 1.148 -11.100 1.00 0.63 C ATOM 954 CG ASN A 281 5.911 2.344 -11.385 1.00 0.80 C ATOM 955 OD1 ASN A 281 6.306 3.269 -12.096 1.00 1.44 O ATOM 956 ND2 ASN A 281 4.698 2.341 -10.839 1.00 0.97 N ATOM 0 H ASN A 281 4.330 -0.075 -9.665 1.00 0.37 H new ATOM 0 HA ASN A 281 5.269 -0.218 -11.683 1.00 0.49 H new ATOM 0 HB2 ASN A 281 7.402 1.350 -10.209 1.00 0.63 H new ATOM 0 HB3 ASN A 281 7.507 1.019 -11.927 1.00 0.63 H new ATOM 0 HD21 ASN A 281 4.062 3.121 -11.004 1.00 0.97 H new ATOM 0 HD22 ASN A 281 4.403 1.558 -10.255 1.00 0.97 H new ATOM 963 N GLY A 282 6.449 -2.490 -10.506 1.00 0.37 N ATOM 964 CA GLY A 282 7.175 -3.729 -10.612 1.00 0.39 C ATOM 965 C GLY A 282 7.840 -4.147 -9.320 1.00 0.34 C ATOM 966 O GLY A 282 8.308 -5.281 -9.200 1.00 0.46 O ATOM 0 H GLY A 282 5.555 -2.561 -10.021 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.492 -4.516 -10.932 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.934 -3.632 -11.388 1.00 0.39 H new ATOM 970 N LYS A 283 7.890 -3.253 -8.345 1.00 0.25 N ATOM 971 CA LYS A 283 8.369 -3.631 -7.036 1.00 0.23 C ATOM 972 C LYS A 283 7.210 -4.126 -6.197 1.00 0.14 C ATOM 973 O LYS A 283 6.125 -3.573 -6.233 1.00 0.17 O ATOM 974 CB LYS A 283 9.073 -2.466 -6.339 1.00 0.33 C ATOM 975 CG LYS A 283 10.166 -1.843 -7.182 1.00 0.74 C ATOM 976 CD LYS A 283 10.061 -0.333 -7.169 1.00 0.61 C ATOM 977 CE LYS A 283 11.102 0.308 -8.068 1.00 1.28 C ATOM 978 NZ LYS A 283 10.820 0.060 -9.509 1.00 1.93 N ATOM 0 H LYS A 283 7.608 -2.277 -8.437 1.00 0.25 H new ATOM 0 HA LYS A 283 9.100 -4.431 -7.155 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.337 -1.703 -6.087 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.502 -2.817 -5.400 1.00 0.33 H new ATOM 0 HG2 LYS A 283 11.142 -2.147 -6.803 1.00 0.74 H new ATOM 0 HG3 LYS A 283 10.094 -2.208 -8.206 1.00 0.74 H new ATOM 0 HD2 LYS A 283 9.065 -0.034 -7.495 1.00 0.61 H new ATOM 0 HD3 LYS A 283 10.186 0.032 -6.150 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.130 1.382 -7.883 1.00 1.28 H new ATOM 0 HE3 LYS A 283 12.088 -0.084 -7.818 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 11.437 0.661 -10.092 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 11.001 -0.940 -9.731 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 9.825 0.285 -9.712 1.00 1.93 H new ATOM 992 N ARG A 284 7.452 -5.180 -5.469 1.00 0.16 N ATOM 993 CA ARG A 284 6.475 -5.757 -4.570 1.00 0.12 C ATOM 994 C ARG A 284 7.007 -5.544 -3.157 1.00 0.13 C ATOM 995 O ARG A 284 8.079 -4.973 -3.012 1.00 0.20 O ATOM 996 CB ARG A 284 6.314 -7.251 -4.886 1.00 0.18 C ATOM 997 CG ARG A 284 5.329 -8.009 -4.005 1.00 0.21 C ATOM 998 CD ARG A 284 3.900 -7.850 -4.492 1.00 0.26 C ATOM 999 NE ARG A 284 3.025 -8.875 -3.927 1.00 0.41 N ATOM 1000 CZ ARG A 284 2.261 -9.693 -4.654 1.00 0.52 C ATOM 1001 NH1 ARG A 284 2.220 -9.584 -5.976 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.548 -10.633 -4.049 1.00 0.67 N ATOM 0 H ARG A 284 8.344 -5.674 -5.479 1.00 0.16 H new ATOM 0 HA ARG A 284 5.494 -5.293 -4.677 1.00 0.12 H new ATOM 0 HB2 ARG A 284 5.997 -7.352 -5.924 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.290 -7.729 -4.803 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.593 -9.066 -3.991 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.406 -7.648 -2.979 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.529 -6.862 -4.219 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.876 -7.909 -5.580 1.00 0.26 H new ATOM 0 HE ARG A 284 2.996 -8.971 -2.912 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.776 -8.870 -6.446 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.633 -10.215 -6.522 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.585 -10.728 -3.034 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.962 -11.262 -4.598 1.00 0.67 H new ATOM 1016 N GLY A 285 6.255 -5.896 -2.129 1.00 0.14 N ATOM 1017 CA GLY A 285 6.830 -5.956 -0.797 1.00 0.18 C ATOM 1018 C GLY A 285 5.759 -5.857 0.249 1.00 0.14 C ATOM 1019 O GLY A 285 4.612 -6.128 -0.046 1.00 0.15 O ATOM 0 H GLY A 285 5.266 -6.140 -2.187 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.379 -6.889 -0.675 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.547 -5.145 -0.668 1.00 0.18 H new ATOM 1023 N HIS A 286 6.115 -5.463 1.458 1.00 0.15 N ATOM 1024 CA HIS A 286 5.124 -5.238 2.504 1.00 0.13 C ATOM 1025 C HIS A 286 5.598 -4.172 3.480 1.00 0.15 C ATOM 1026 O HIS A 286 6.739 -4.196 3.940 1.00 0.20 O ATOM 1027 CB HIS A 286 4.758 -6.542 3.234 1.00 0.18 C ATOM 1028 CG HIS A 286 5.898 -7.303 3.843 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.720 -8.469 4.552 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.224 -7.066 3.850 1.00 0.67 C ATOM 1031 CE1 HIS A 286 6.890 -8.911 4.968 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.827 -8.076 4.559 1.00 0.52 N ATOM 0 H HIS A 286 7.079 -5.292 1.743 1.00 0.15 H new ATOM 0 HA HIS A 286 4.216 -4.875 2.023 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.045 -6.304 4.023 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.247 -7.197 2.529 1.00 0.18 H new ATOM 0 HD1 HIS A 286 4.823 -8.921 4.728 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.724 -6.231 3.382 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.055 -9.807 5.547 1.00 0.65 H new ATOM 1041 N PHE A 287 4.716 -3.231 3.769 1.00 0.14 N ATOM 1042 CA PHE A 287 5.039 -2.098 4.634 1.00 0.17 C ATOM 1043 C PHE A 287 3.795 -1.599 5.369 1.00 0.20 C ATOM 1044 O PHE A 287 2.710 -1.537 4.794 1.00 0.29 O ATOM 1045 CB PHE A 287 5.676 -0.956 3.823 1.00 0.20 C ATOM 1046 CG PHE A 287 7.133 -1.163 3.514 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.079 -1.099 4.524 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.554 -1.413 2.221 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.421 -1.283 4.249 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.893 -1.598 1.937 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.829 -1.533 2.951 1.00 0.30 C ATOM 0 H PHE A 287 3.759 -3.226 3.415 1.00 0.14 H new ATOM 0 HA PHE A 287 5.761 -2.439 5.376 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.130 -0.840 2.887 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.561 -0.024 4.376 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.764 -0.903 5.538 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.827 -1.464 1.424 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.149 -1.232 5.045 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.208 -1.793 0.923 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.876 -1.677 2.731 1.00 0.30 H new ATOM 1061 N PRO A 288 3.950 -1.244 6.658 1.00 0.22 N ATOM 1062 CA PRO A 288 2.833 -0.807 7.513 1.00 0.26 C ATOM 1063 C PRO A 288 2.258 0.565 7.141 1.00 0.24 C ATOM 1064 O PRO A 288 2.866 1.341 6.393 1.00 0.28 O ATOM 1065 CB PRO A 288 3.453 -0.764 8.913 1.00 0.33 C ATOM 1066 CG PRO A 288 4.910 -0.565 8.680 1.00 0.54 C ATOM 1067 CD PRO A 288 5.226 -1.273 7.394 1.00 0.32 C ATOM 0 HA PRO A 288 1.983 -1.482 7.415 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.033 0.048 9.506 1.00 0.33 H new ATOM 0 HB3 PRO A 288 3.263 -1.688 9.458 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.152 0.495 8.611 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.496 -0.973 9.504 1.00 0.54 H new ATOM 0 HD2 PRO A 288 6.018 -0.767 6.842 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.563 -2.294 7.571 1.00 0.32 H new ATOM 1075 N PHE A 289 1.082 0.849 7.699 1.00 0.31 N ATOM 1076 CA PHE A 289 0.337 2.075 7.426 1.00 0.37 C ATOM 1077 C PHE A 289 0.970 3.277 8.130 1.00 0.33 C ATOM 1078 O PHE A 289 0.609 4.425 7.877 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.111 1.910 7.899 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.071 2.884 7.278 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.542 2.674 5.995 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -2.506 4.002 7.973 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -3.427 3.559 5.413 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -3.394 4.890 7.395 1.00 1.12 C ATOM 1085 CZ PHE A 289 -3.855 4.667 6.112 1.00 0.50 C ATOM 0 H PHE A 289 0.616 0.227 8.360 1.00 0.31 H new ATOM 0 HA PHE A 289 0.361 2.257 6.352 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.442 0.896 7.675 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.144 2.024 8.983 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -2.213 1.807 5.441 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -2.148 4.181 8.976 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -3.784 3.383 4.409 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -3.727 5.757 7.946 1.00 1.12 H new ATOM 0 HZ PHE A 289 -4.549 5.359 5.658 1.00 0.50 H new ATOM 1095 N THR A 290 1.941 2.998 8.989 1.00 0.33 N ATOM 1096 CA THR A 290 2.528 3.994 9.877 1.00 0.41 C ATOM 1097 C THR A 290 3.289 5.104 9.142 1.00 0.38 C ATOM 1098 O THR A 290 3.747 6.064 9.763 1.00 0.57 O ATOM 1099 CB THR A 290 3.480 3.293 10.851 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.239 2.309 10.133 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.714 2.625 11.983 1.00 0.61 C ATOM 0 H THR A 290 2.347 2.068 9.090 1.00 0.33 H new ATOM 0 HA THR A 290 1.702 4.476 10.400 1.00 0.41 H new ATOM 0 HB THR A 290 4.145 4.037 11.288 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.853 1.856 10.748 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.416 2.136 12.658 1.00 0.61 H new ATOM 0 HG22 THR A 290 2.147 3.377 12.532 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.030 1.883 11.571 1.00 0.61 H new ATOM 1109 N HIS A 291 3.420 4.985 7.828 1.00 0.25 N ATOM 1110 CA HIS A 291 4.196 5.946 7.057 1.00 0.26 C ATOM 1111 C HIS A 291 3.672 6.034 5.633 1.00 0.23 C ATOM 1112 O HIS A 291 4.411 6.337 4.693 1.00 0.26 O ATOM 1113 CB HIS A 291 5.691 5.587 7.077 1.00 0.35 C ATOM 1114 CG HIS A 291 5.999 4.131 6.872 1.00 0.40 C ATOM 1115 ND1 HIS A 291 7.086 3.513 7.443 1.00 1.01 N ATOM 1116 CD2 HIS A 291 5.365 3.174 6.155 1.00 1.26 C ATOM 1117 CE1 HIS A 291 7.109 2.245 7.091 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.072 2.006 6.308 1.00 0.88 N ATOM 0 H HIS A 291 3.001 4.236 7.276 1.00 0.25 H new ATOM 0 HA HIS A 291 4.085 6.927 7.520 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.197 6.162 6.302 1.00 0.35 H new ATOM 0 HB3 HIS A 291 6.111 5.900 8.033 1.00 0.35 H new ATOM 0 HD1 HIS A 291 7.770 3.968 8.047 1.00 1.01 H new ATOM 0 HD2 HIS A 291 4.467 3.305 5.569 1.00 1.26 H new ATOM 0 HE1 HIS A 291 7.852 1.521 7.392 1.00 0.72 H new ATOM 1127 N VAL A 292 2.385 5.757 5.486 1.00 0.21 N ATOM 1128 CA VAL A 292 1.708 5.884 4.210 1.00 0.21 C ATOM 1129 C VAL A 292 0.369 6.589 4.381 1.00 0.24 C ATOM 1130 O VAL A 292 -0.187 6.635 5.479 1.00 0.32 O ATOM 1131 CB VAL A 292 1.471 4.514 3.553 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.789 3.833 3.247 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.620 3.635 4.444 1.00 0.51 C ATOM 0 H VAL A 292 1.785 5.439 6.247 1.00 0.21 H new ATOM 0 HA VAL A 292 2.357 6.474 3.563 1.00 0.21 H new ATOM 0 HB VAL A 292 0.939 4.675 2.615 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.599 2.865 2.783 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.370 4.455 2.566 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.347 3.688 4.172 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.464 2.670 3.961 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.126 3.486 5.398 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.343 4.115 4.615 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.129 7.149 3.293 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.405 7.844 3.291 1.00 0.24 C ATOM 1145 C ARG A 293 -2.240 7.369 2.127 1.00 0.24 C ATOM 1146 O ARG A 293 -1.918 7.630 0.984 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.176 9.345 3.189 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.334 9.905 4.325 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.143 10.052 5.606 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.329 10.548 6.719 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.202 9.922 7.887 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.834 8.775 8.105 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.554 10.447 8.843 1.00 0.74 N ATOM 0 H ARG A 293 0.339 7.135 2.387 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.933 7.629 4.220 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.687 9.567 2.240 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.141 9.852 3.177 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.517 9.248 4.505 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.068 10.876 4.035 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.974 10.736 5.433 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.574 9.088 5.875 1.00 0.45 H new ATOM 0 HE ARG A 293 0.171 11.428 6.591 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.420 8.369 7.376 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.733 8.300 9.002 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.038 11.330 8.683 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.651 9.967 9.738 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.318 6.688 2.421 1.00 0.23 N ATOM 1168 CA LEU A 294 -4.031 5.949 1.402 1.00 0.26 C ATOM 1169 C LEU A 294 -4.966 6.807 0.584 1.00 0.27 C ATOM 1170 O LEU A 294 -5.891 7.446 1.078 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.759 4.770 2.035 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.293 3.714 1.080 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -4.167 3.256 0.194 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.872 2.546 1.859 1.00 1.31 C ATOM 0 H LEU A 294 -3.723 6.628 3.355 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.291 5.575 0.694 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -4.079 4.285 2.736 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.595 5.157 2.618 1.00 0.38 H new ATOM 0 HG LEU A 294 -6.090 4.135 0.467 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -4.534 2.498 -0.498 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -3.780 4.105 -0.370 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.371 2.834 0.807 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.251 1.797 1.164 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.095 2.103 2.482 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.687 2.899 2.492 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.652 6.787 -0.688 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.425 7.383 -1.750 1.00 0.31 C ATOM 1188 C LEU A 295 -6.475 6.407 -2.242 1.00 0.36 C ATOM 1189 O LEU A 295 -6.973 6.544 -3.353 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.528 7.667 -2.941 1.00 0.33 C ATOM 1191 CG LEU A 295 -3.591 8.861 -2.875 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.604 8.727 -1.730 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -2.867 8.953 -4.202 1.00 0.39 C ATOM 0 H LEU A 295 -3.806 6.330 -1.028 1.00 0.27 H new ATOM 0 HA LEU A 295 -5.879 8.294 -1.360 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -3.921 6.779 -3.118 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.167 7.795 -3.814 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.163 9.770 -2.690 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -1.948 9.598 -1.711 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.147 8.661 -0.787 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.007 7.826 -1.868 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -2.185 9.803 -4.186 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.301 8.037 -4.372 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -3.593 9.085 -5.004 1.00 0.39 H new ATOM 1205 N ASP A 296 -6.683 5.357 -1.472 1.00 0.55 N ATOM 1206 CA ASP A 296 -7.773 4.416 -1.691 1.00 0.66 C ATOM 1207 C ASP A 296 -7.820 3.915 -3.132 1.00 0.86 C ATOM 1208 O ASP A 296 -6.887 4.100 -3.915 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.112 5.064 -1.320 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.156 5.525 0.120 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -9.212 4.665 1.025 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -9.135 6.749 0.360 1.00 1.97 O ATOM 0 H ASP A 296 -6.097 5.128 -0.669 1.00 0.55 H new ATOM 0 HA ASP A 296 -7.592 3.554 -1.049 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -9.293 5.915 -1.976 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -9.917 4.350 -1.494 1.00 1.02 H new ATOM 1217 N GLN A 297 -8.885 3.226 -3.455 1.00 0.62 N ATOM 1218 CA GLN A 297 -9.118 2.773 -4.805 1.00 0.87 C ATOM 1219 C GLN A 297 -9.609 3.927 -5.677 1.00 1.60 C ATOM 1220 O GLN A 297 -8.918 4.266 -6.658 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.098 1.593 -4.815 1.00 1.01 C ATOM 1222 CG GLN A 297 -11.523 1.899 -4.374 1.00 2.20 C ATOM 1223 CD GLN A 297 -11.644 2.477 -2.978 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -11.759 1.746 -2.004 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -11.628 3.793 -2.876 1.00 3.77 N ATOM 1226 OXT GLN A 297 -10.655 4.531 -5.350 1.00 2.17 O ATOM 0 H GLN A 297 -9.614 2.963 -2.792 1.00 0.62 H new ATOM 0 HA GLN A 297 -8.177 2.419 -5.227 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -10.132 1.185 -5.825 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -9.700 0.811 -4.168 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -11.965 2.600 -5.082 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -12.109 0.982 -4.425 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -11.530 4.368 -3.713 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -11.713 4.235 -1.961 1.00 3.77 H new