USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 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 228 ASN : amide:sc= 0 X(o=0.6,f=0.55) USER MOD Set 1.2: A 229 THR OG1 : rot 88:sc= 0.602 USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 GLN : amide:sc= -0.293 X(o=-0.29,f=0.11) USER MOD Single : A 226 SER OG : rot -91:sc= -0.379! USER MOD Single : A 233 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.15) USER MOD Single : A 235 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 236 ASN : amide:sc= -1.4 X(o=-1.4,f=-0.98) 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+ 135:sc= -4.19! (180deg=-8.68!) USER MOD Single : A 250 ASN : amide:sc= -2.08 K(o=-2.1,f=-3.9!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -150:sc= 0.591 (180deg=0.0822) USER MOD Single : A 255 THR OG1 : rot 175:sc= -3.14! USER MOD Single : A 266 LYS NZ :NH3+ -124:sc= -0.16 (180deg=-1.83!) USER MOD Single : A 268 THR OG1 : rot -40:sc= 0.461 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= -5.29! C(o=-5.3!,f=-2.9!) USER MOD Single : A 272 MET CE :methyl 174:sc= 0 (180deg=-0.0684) USER MOD Single : A 273 SER OG : rot 180:sc= -0.492 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 280 CYS SG : rot 108:sc= 1.24 USER MOD Single : A 281 ASN : amide:sc= -0.728 K(o=-0.73,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HE2:sc= -0.626 K(o=-0.63,f=-0.11) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 291 HIS : no HD1:sc= -0.137 K(o=-0.14,f=-0.86) USER MOD Single : A 297 GLN : amide:sc= 0.213! C(o=0.21!,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -17.768 11.676 -0.230 1.00 6.89 N ATOM 2 CA GLY A 220 -17.619 10.445 0.582 1.00 6.03 C ATOM 3 C GLY A 220 -16.202 9.923 0.558 1.00 5.17 C ATOM 4 O GLY A 220 -15.273 10.685 0.287 1.00 5.52 O ATOM 0 HA2 GLY A 220 -17.913 10.651 1.611 1.00 6.03 H new ATOM 0 HA3 GLY A 220 -18.295 9.677 0.205 1.00 6.03 H new ATOM 10 N PRO A 221 -15.998 8.626 0.846 1.00 4.25 N ATOM 11 CA PRO A 221 -14.660 8.026 0.882 1.00 3.64 C ATOM 12 C PRO A 221 -13.883 8.288 -0.410 1.00 3.42 C ATOM 13 O PRO A 221 -12.797 8.875 -0.376 1.00 3.65 O ATOM 14 CB PRO A 221 -14.952 6.531 1.086 1.00 3.01 C ATOM 15 CG PRO A 221 -16.286 6.494 1.740 1.00 3.25 C ATOM 16 CD PRO A 221 -17.052 7.651 1.166 1.00 4.10 C ATOM 0 HA PRO A 221 -14.027 8.444 1.665 1.00 3.64 H new ATOM 0 HB2 PRO A 221 -14.961 5.996 0.136 1.00 3.01 H new ATOM 0 HB3 PRO A 221 -14.192 6.060 1.710 1.00 3.01 H new ATOM 0 HG2 PRO A 221 -16.794 5.550 1.540 1.00 3.25 H new ATOM 0 HG3 PRO A 221 -16.194 6.584 2.822 1.00 3.25 H new ATOM 0 HD2 PRO A 221 -17.615 7.361 0.279 1.00 4.10 H new ATOM 0 HD3 PRO A 221 -17.769 8.054 1.881 1.00 4.10 H new ATOM 24 N TYR A 222 -14.476 7.914 -1.537 1.00 3.36 N ATOM 25 CA TYR A 222 -13.930 8.223 -2.854 1.00 3.25 C ATOM 26 C TYR A 222 -14.872 7.707 -3.929 1.00 2.52 C ATOM 27 O TYR A 222 -15.658 8.468 -4.495 1.00 2.61 O ATOM 28 CB TYR A 222 -12.528 7.633 -3.042 1.00 3.76 C ATOM 29 CG TYR A 222 -11.926 7.926 -4.398 1.00 4.63 C ATOM 30 CD1 TYR A 222 -11.525 9.211 -4.743 1.00 5.31 C ATOM 31 CD2 TYR A 222 -11.758 6.914 -5.332 1.00 5.08 C ATOM 32 CE1 TYR A 222 -10.972 9.475 -5.982 1.00 6.23 C ATOM 33 CE2 TYR A 222 -11.209 7.169 -6.570 1.00 6.03 C ATOM 34 CZ TYR A 222 -10.817 8.450 -6.891 1.00 6.52 C ATOM 35 OH TYR A 222 -10.264 8.704 -8.124 1.00 7.54 O ATOM 0 H TYR A 222 -15.349 7.388 -1.564 1.00 3.36 H new ATOM 0 HA TYR A 222 -13.838 9.306 -2.938 1.00 3.25 H new ATOM 0 HB2 TYR A 222 -11.870 8.028 -2.268 1.00 3.76 H new ATOM 0 HB3 TYR A 222 -12.575 6.553 -2.900 1.00 3.76 H new ATOM 0 HD1 TYR A 222 -11.647 10.015 -4.033 1.00 5.31 H new ATOM 0 HD2 TYR A 222 -12.063 5.908 -5.084 1.00 5.08 H new ATOM 0 HE1 TYR A 222 -10.663 10.478 -6.236 1.00 6.23 H new ATOM 0 HE2 TYR A 222 -11.087 6.369 -7.285 1.00 6.03 H new ATOM 0 HH TYR A 222 -10.225 7.873 -8.643 1.00 7.54 H new ATOM 45 N ALA A 223 -14.809 6.413 -4.190 1.00 2.13 N ATOM 46 CA ALA A 223 -15.696 5.784 -5.136 1.00 2.17 C ATOM 47 C ALA A 223 -16.614 4.840 -4.390 1.00 2.50 C ATOM 48 O ALA A 223 -17.823 4.810 -4.618 1.00 3.04 O ATOM 49 CB ALA A 223 -14.891 5.049 -6.185 1.00 2.26 C ATOM 0 H ALA A 223 -14.143 5.777 -3.752 1.00 2.13 H new ATOM 0 HA ALA A 223 -16.300 6.535 -5.645 1.00 2.17 H new ATOM 0 HB1 ALA A 223 -15.567 4.576 -6.897 1.00 2.26 H new ATOM 0 HB2 ALA A 223 -14.247 5.755 -6.710 1.00 2.26 H new ATOM 0 HB3 ALA A 223 -14.278 4.286 -5.705 1.00 2.26 H new ATOM 55 N GLN A 224 -16.026 4.087 -3.472 1.00 2.41 N ATOM 56 CA GLN A 224 -16.776 3.260 -2.553 1.00 2.84 C ATOM 57 C GLN A 224 -16.274 3.536 -1.156 1.00 2.61 C ATOM 58 O GLN A 224 -15.312 4.280 -0.996 1.00 2.25 O ATOM 59 CB GLN A 224 -16.602 1.780 -2.882 1.00 3.26 C ATOM 60 CG GLN A 224 -17.445 1.301 -4.053 1.00 3.94 C ATOM 61 CD GLN A 224 -18.933 1.486 -3.825 1.00 4.73 C ATOM 62 OE1 GLN A 224 -19.510 2.507 -4.198 1.00 5.34 O ATOM 63 NE2 GLN A 224 -19.564 0.511 -3.191 1.00 5.07 N ATOM 0 H GLN A 224 -15.015 4.036 -3.347 1.00 2.41 H new ATOM 0 HA GLN A 224 -17.837 3.496 -2.634 1.00 2.84 H new ATOM 0 HB2 GLN A 224 -15.552 1.589 -3.102 1.00 3.26 H new ATOM 0 HB3 GLN A 224 -16.855 1.191 -2.001 1.00 3.26 H new ATOM 0 HG2 GLN A 224 -17.150 1.843 -4.952 1.00 3.94 H new ATOM 0 HG3 GLN A 224 -17.239 0.246 -4.235 1.00 3.94 H new ATOM 0 HE21 GLN A 224 -19.052 -0.321 -2.897 1.00 5.07 H new ATOM 0 HE22 GLN A 224 -20.562 0.591 -2.996 1.00 5.07 H new ATOM 72 N PRO A 225 -16.937 3.006 -0.124 1.00 3.00 N ATOM 73 CA PRO A 225 -16.388 3.033 1.221 1.00 2.88 C ATOM 74 C PRO A 225 -14.940 2.558 1.234 1.00 2.43 C ATOM 75 O PRO A 225 -14.613 1.529 0.639 1.00 2.62 O ATOM 76 CB PRO A 225 -17.281 2.075 1.986 1.00 3.40 C ATOM 77 CG PRO A 225 -18.588 2.114 1.271 1.00 4.04 C ATOM 78 CD PRO A 225 -18.270 2.379 -0.175 1.00 3.72 C ATOM 0 HA PRO A 225 -16.371 4.035 1.651 1.00 2.88 H new ATOM 0 HB2 PRO A 225 -16.865 1.068 1.993 1.00 3.40 H new ATOM 0 HB3 PRO A 225 -17.390 2.382 3.026 1.00 3.40 H new ATOM 0 HG2 PRO A 225 -19.122 1.171 1.385 1.00 4.04 H new ATOM 0 HG3 PRO A 225 -19.230 2.895 1.677 1.00 4.04 H new ATOM 0 HD2 PRO A 225 -18.259 1.459 -0.759 1.00 3.72 H new ATOM 0 HD3 PRO A 225 -19.007 3.038 -0.634 1.00 3.72 H new ATOM 86 N SER A 226 -14.092 3.319 1.912 1.00 2.20 N ATOM 87 CA SER A 226 -12.653 3.128 1.856 1.00 2.08 C ATOM 88 C SER A 226 -12.241 1.688 2.167 1.00 1.74 C ATOM 89 O SER A 226 -12.825 1.029 3.037 1.00 1.98 O ATOM 90 CB SER A 226 -11.982 4.067 2.855 1.00 2.61 C ATOM 91 OG SER A 226 -12.405 5.407 2.672 1.00 3.08 O ATOM 0 H SER A 226 -14.385 4.087 2.517 1.00 2.20 H new ATOM 0 HA SER A 226 -12.333 3.349 0.838 1.00 2.08 H new ATOM 0 HB2 SER A 226 -12.215 3.746 3.870 1.00 2.61 H new ATOM 0 HB3 SER A 226 -10.900 4.007 2.742 1.00 2.61 H new ATOM 0 HG SER A 226 -11.795 5.861 2.054 1.00 3.08 H new ATOM 97 N ILE A 227 -11.228 1.210 1.455 1.00 1.37 N ATOM 98 CA ILE A 227 -10.671 -0.109 1.707 1.00 1.12 C ATOM 99 C ILE A 227 -9.866 -0.123 3.006 1.00 1.27 C ATOM 100 O ILE A 227 -8.737 0.371 3.064 1.00 1.47 O ATOM 101 CB ILE A 227 -9.768 -0.593 0.548 1.00 0.97 C ATOM 102 CG1 ILE A 227 -10.596 -0.954 -0.688 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.946 -1.791 0.983 1.00 1.14 C ATOM 104 CD1 ILE A 227 -9.753 -1.445 -1.848 1.00 1.47 C ATOM 0 H ILE A 227 -10.775 1.720 0.696 1.00 1.37 H new ATOM 0 HA ILE A 227 -11.518 -0.790 1.792 1.00 1.12 H new ATOM 0 HB ILE A 227 -9.099 0.226 0.285 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -11.319 -1.725 -0.421 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -11.165 -0.080 -1.005 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -8.316 -2.120 0.156 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.318 -1.513 1.830 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -9.612 -2.602 1.276 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -10.400 -1.684 -2.692 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -9.048 -0.667 -2.140 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.205 -2.338 -1.547 1.00 1.47 H new ATOM 116 N ASN A 228 -10.480 -0.645 4.053 1.00 1.52 N ATOM 117 CA ASN A 228 -9.794 -0.903 5.311 1.00 1.82 C ATOM 118 C ASN A 228 -10.411 -2.121 5.978 1.00 1.80 C ATOM 119 O ASN A 228 -11.625 -2.137 6.191 1.00 2.07 O ATOM 120 CB ASN A 228 -9.879 0.310 6.246 1.00 2.42 C ATOM 121 CG ASN A 228 -9.167 0.076 7.567 1.00 3.09 C ATOM 122 OD1 ASN A 228 -9.754 -0.422 8.528 1.00 3.44 O ATOM 123 ND2 ASN A 228 -7.894 0.437 7.627 1.00 3.83 N ATOM 0 H ASN A 228 -11.467 -0.902 4.057 1.00 1.52 H new ATOM 0 HA ASN A 228 -8.741 -1.091 5.103 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -9.443 1.178 5.751 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -10.926 0.545 6.438 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -7.367 0.305 8.490 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -7.441 0.847 6.810 1.00 3.83 H new ATOM 130 N THR A 229 -9.570 -3.131 6.269 1.00 1.66 N ATOM 131 CA THR A 229 -9.960 -4.396 6.942 1.00 1.67 C ATOM 132 C THR A 229 -9.970 -5.599 5.981 1.00 1.68 C ATOM 133 O THR A 229 -9.169 -6.519 6.156 1.00 2.22 O ATOM 134 CB THR A 229 -11.329 -4.348 7.660 1.00 1.80 C ATOM 135 OG1 THR A 229 -11.398 -3.220 8.546 1.00 1.91 O ATOM 136 CG2 THR A 229 -11.571 -5.622 8.459 1.00 1.88 C ATOM 0 H THR A 229 -8.577 -3.095 6.040 1.00 1.66 H new ATOM 0 HA THR A 229 -9.185 -4.521 7.698 1.00 1.67 H new ATOM 0 HB THR A 229 -12.097 -4.255 6.893 1.00 1.80 H new ATOM 0 HG1 THR A 229 -11.725 -2.438 8.055 1.00 1.91 H new ATOM 0 HG21 THR A 229 -12.540 -5.562 8.954 1.00 1.88 H new ATOM 0 HG22 THR A 229 -11.559 -6.481 7.787 1.00 1.88 H new ATOM 0 HG23 THR A 229 -10.787 -5.736 9.208 1.00 1.88 H new ATOM 144 N PRO A 230 -10.888 -5.628 4.981 1.00 1.34 N ATOM 145 CA PRO A 230 -11.067 -6.772 4.078 1.00 1.46 C ATOM 146 C PRO A 230 -9.774 -7.351 3.501 1.00 1.44 C ATOM 147 O PRO A 230 -8.756 -6.666 3.379 1.00 1.32 O ATOM 148 CB PRO A 230 -11.908 -6.203 2.929 1.00 1.46 C ATOM 149 CG PRO A 230 -12.108 -4.756 3.213 1.00 1.48 C ATOM 150 CD PRO A 230 -11.869 -4.583 4.672 1.00 1.35 C ATOM 0 HA PRO A 230 -11.516 -7.600 4.627 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -11.401 -6.342 1.974 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.866 -6.719 2.860 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -11.418 -4.146 2.630 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -13.116 -4.442 2.944 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -11.484 -3.589 4.901 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -12.786 -4.710 5.247 1.00 1.35 H new ATOM 158 N LEU A 231 -9.852 -8.628 3.136 1.00 1.78 N ATOM 159 CA LEU A 231 -8.757 -9.333 2.477 1.00 1.82 C ATOM 160 C LEU A 231 -8.506 -8.725 1.091 1.00 1.52 C ATOM 161 O LEU A 231 -9.296 -7.896 0.636 1.00 1.52 O ATOM 162 CB LEU A 231 -9.094 -10.832 2.357 1.00 2.34 C ATOM 163 CG LEU A 231 -9.052 -11.643 3.662 1.00 2.79 C ATOM 164 CD1 LEU A 231 -10.192 -11.262 4.596 1.00 3.30 C ATOM 165 CD2 LEU A 231 -9.085 -13.131 3.355 1.00 3.42 C ATOM 0 H LEU A 231 -10.679 -9.205 3.290 1.00 1.78 H new ATOM 0 HA LEU A 231 -7.851 -9.228 3.073 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -10.091 -10.926 1.927 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -8.398 -11.284 1.650 1.00 2.34 H new ATOM 0 HG LEU A 231 -8.119 -11.408 4.174 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -10.129 -11.856 5.508 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -10.119 -10.204 4.847 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -11.145 -11.453 4.103 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -9.055 -13.696 4.287 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -10.001 -13.371 2.815 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -8.223 -13.395 2.743 1.00 3.42 H new ATOM 177 N PRO A 232 -7.419 -9.129 0.391 1.00 1.40 N ATOM 178 CA PRO A 232 -7.073 -8.560 -0.919 1.00 1.28 C ATOM 179 C PRO A 232 -8.240 -8.606 -1.901 1.00 1.55 C ATOM 180 O PRO A 232 -8.817 -9.667 -2.160 1.00 1.84 O ATOM 181 CB PRO A 232 -5.926 -9.451 -1.399 1.00 1.40 C ATOM 182 CG PRO A 232 -5.309 -9.973 -0.152 1.00 1.45 C ATOM 183 CD PRO A 232 -6.437 -10.140 0.825 1.00 1.54 C ATOM 0 HA PRO A 232 -6.809 -7.505 -0.849 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -6.291 -10.261 -2.030 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.206 -8.886 -1.991 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -4.805 -10.922 -0.333 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -4.559 -9.282 0.232 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -6.854 -11.146 0.789 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -6.109 -9.967 1.850 1.00 1.54 H new ATOM 191 N ASN A 233 -8.559 -7.441 -2.457 1.00 1.58 N ATOM 192 CA ASN A 233 -9.750 -7.265 -3.274 1.00 2.01 C ATOM 193 C ASN A 233 -9.777 -5.843 -3.840 1.00 1.76 C ATOM 194 O ASN A 233 -8.728 -5.225 -4.018 1.00 2.31 O ATOM 195 CB ASN A 233 -11.002 -7.505 -2.419 1.00 2.67 C ATOM 196 CG ASN A 233 -12.006 -8.449 -3.059 1.00 3.38 C ATOM 197 OD1 ASN A 233 -12.806 -9.071 -2.361 1.00 3.96 O ATOM 198 ND2 ASN A 233 -11.969 -8.587 -4.375 1.00 3.82 N ATOM 0 H ASN A 233 -7.999 -6.595 -2.353 1.00 1.58 H new ATOM 0 HA ASN A 233 -9.734 -7.980 -4.096 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -10.700 -7.910 -1.453 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -11.488 -6.549 -2.225 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -12.616 -9.224 -4.839 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -11.293 -8.056 -4.925 1.00 3.82 H new ATOM 205 N LEU A 234 -10.987 -5.330 -4.075 1.00 1.61 N ATOM 206 CA LEU A 234 -11.233 -4.016 -4.624 1.00 1.90 C ATOM 207 C LEU A 234 -12.696 -3.949 -4.951 1.00 1.69 C ATOM 208 O LEU A 234 -13.271 -4.894 -5.486 1.00 1.91 O ATOM 209 CB LEU A 234 -10.389 -3.654 -5.859 1.00 2.77 C ATOM 210 CG LEU A 234 -10.301 -4.668 -7.014 1.00 3.77 C ATOM 211 CD1 LEU A 234 -11.576 -4.706 -7.847 1.00 4.30 C ATOM 212 CD2 LEU A 234 -9.122 -4.316 -7.900 1.00 4.49 C ATOM 0 H LEU A 234 -11.845 -5.845 -3.878 1.00 1.61 H new ATOM 0 HA LEU A 234 -10.934 -3.281 -3.876 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -10.781 -2.722 -6.266 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -9.374 -3.451 -5.518 1.00 2.77 H new ATOM 0 HG LEU A 234 -10.168 -5.658 -6.578 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -11.465 -5.436 -8.649 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -12.417 -4.988 -7.213 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -11.760 -3.721 -8.276 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -9.056 -5.032 -8.719 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -9.258 -3.313 -8.304 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -8.204 -4.350 -7.314 1.00 4.49 H new ATOM 224 N GLN A 235 -13.311 -2.886 -4.553 1.00 1.58 N ATOM 225 CA GLN A 235 -14.731 -2.768 -4.692 1.00 1.78 C ATOM 226 C GLN A 235 -15.073 -1.801 -5.822 1.00 1.59 C ATOM 227 O GLN A 235 -16.114 -1.914 -6.470 1.00 1.97 O ATOM 228 CB GLN A 235 -15.273 -2.348 -3.346 1.00 2.17 C ATOM 229 CG GLN A 235 -16.723 -1.910 -3.354 1.00 2.56 C ATOM 230 CD GLN A 235 -17.661 -3.055 -3.689 1.00 3.18 C ATOM 231 OE1 GLN A 235 -17.382 -4.211 -3.372 1.00 3.71 O ATOM 232 NE2 GLN A 235 -18.771 -2.743 -4.337 1.00 3.72 N ATOM 0 H GLN A 235 -12.853 -2.080 -4.126 1.00 1.58 H new ATOM 0 HA GLN A 235 -15.197 -3.712 -4.974 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -15.163 -3.180 -2.650 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -14.663 -1.530 -2.964 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -16.984 -1.502 -2.378 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -16.856 -1.108 -4.081 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -18.963 -1.771 -4.581 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -19.435 -3.474 -4.593 1.00 3.72 H new ATOM 241 N ASN A 236 -14.184 -0.847 -6.045 1.00 1.40 N ATOM 242 CA ASN A 236 -14.314 0.085 -7.153 1.00 1.65 C ATOM 243 C ASN A 236 -12.957 0.279 -7.806 1.00 1.69 C ATOM 244 O ASN A 236 -12.818 1.021 -8.776 1.00 2.36 O ATOM 245 CB ASN A 236 -14.832 1.449 -6.681 1.00 2.09 C ATOM 246 CG ASN A 236 -15.635 2.161 -7.758 1.00 2.95 C ATOM 247 OD1 ASN A 236 -16.858 2.013 -7.837 1.00 3.67 O ATOM 248 ND2 ASN A 236 -14.961 2.939 -8.593 1.00 3.34 N ATOM 0 H ASN A 236 -13.357 -0.697 -5.467 1.00 1.40 H new ATOM 0 HA ASN A 236 -15.029 -0.332 -7.862 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -15.454 1.313 -5.796 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -13.989 2.074 -6.386 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -15.453 3.440 -9.332 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -13.950 3.036 -8.496 1.00 3.34 H new ATOM 255 N GLY A 237 -11.955 -0.407 -7.276 1.00 1.32 N ATOM 256 CA GLY A 237 -10.617 -0.160 -7.652 1.00 1.67 C ATOM 257 C GLY A 237 -9.700 -0.448 -6.499 1.00 1.38 C ATOM 258 O GLY A 237 -10.148 -0.661 -5.376 1.00 1.70 O ATOM 0 H GLY A 237 -12.071 -1.142 -6.578 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.349 -0.783 -8.505 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -10.504 0.877 -7.967 1.00 1.67 H new ATOM 262 N PRO A 238 -8.423 -0.501 -6.772 1.00 0.90 N ATOM 263 CA PRO A 238 -7.379 -0.775 -5.803 1.00 0.65 C ATOM 264 C PRO A 238 -7.019 0.462 -5.035 1.00 0.50 C ATOM 265 O PRO A 238 -7.389 1.577 -5.422 1.00 0.76 O ATOM 266 CB PRO A 238 -6.206 -1.215 -6.685 1.00 0.65 C ATOM 267 CG PRO A 238 -6.824 -1.388 -8.032 1.00 0.96 C ATOM 268 CD PRO A 238 -7.863 -0.324 -8.082 1.00 0.88 C ATOM 0 HA PRO A 238 -7.670 -1.515 -5.058 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.414 -0.467 -6.701 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.761 -2.143 -6.326 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.089 -1.268 -8.828 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -7.261 -2.380 -8.148 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -7.442 0.670 -8.230 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.591 -0.483 -8.877 1.00 0.88 H new ATOM 276 N PHE A 239 -6.301 0.296 -3.955 1.00 0.37 N ATOM 277 CA PHE A 239 -5.976 1.444 -3.161 1.00 0.28 C ATOM 278 C PHE A 239 -4.528 1.780 -3.335 1.00 0.27 C ATOM 279 O PHE A 239 -3.649 0.961 -3.125 1.00 0.51 O ATOM 280 CB PHE A 239 -6.293 1.240 -1.680 1.00 0.34 C ATOM 281 CG PHE A 239 -5.771 -0.052 -1.147 1.00 0.41 C ATOM 282 CD1 PHE A 239 -6.319 -1.226 -1.591 1.00 0.90 C ATOM 283 CD2 PHE A 239 -4.749 -0.097 -0.218 1.00 0.35 C ATOM 284 CE1 PHE A 239 -5.871 -2.440 -1.128 1.00 1.09 C ATOM 285 CE2 PHE A 239 -4.296 -1.307 0.261 1.00 0.35 C ATOM 286 CZ PHE A 239 -4.858 -2.481 -0.196 1.00 0.73 C ATOM 0 H PHE A 239 -5.941 -0.596 -3.615 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.596 2.270 -3.509 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.867 2.063 -1.106 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.373 1.277 -1.536 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -7.117 -1.197 -2.318 1.00 0.90 H new ATOM 0 HD2 PHE A 239 -4.303 0.821 0.135 1.00 0.35 H new ATOM 0 HE1 PHE A 239 -6.311 -3.356 -1.493 1.00 1.09 H new ATOM 0 HE2 PHE A 239 -3.502 -1.336 0.993 1.00 0.35 H new ATOM 0 HZ PHE A 239 -4.504 -3.431 0.177 1.00 0.73 H new ATOM 296 N TYR A 240 -4.305 2.996 -3.710 1.00 0.16 N ATOM 297 CA TYR A 240 -2.975 3.511 -3.893 1.00 0.21 C ATOM 298 C TYR A 240 -2.545 4.138 -2.599 1.00 0.21 C ATOM 299 O TYR A 240 -3.361 4.716 -1.919 1.00 0.36 O ATOM 300 CB TYR A 240 -2.979 4.553 -5.007 1.00 0.25 C ATOM 301 CG TYR A 240 -3.780 4.133 -6.219 1.00 0.25 C ATOM 302 CD1 TYR A 240 -3.431 3.009 -6.953 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.894 4.859 -6.621 1.00 0.37 C ATOM 304 CE1 TYR A 240 -4.170 2.616 -8.054 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.637 4.474 -7.719 1.00 0.46 C ATOM 306 CZ TYR A 240 -5.272 3.354 -8.432 1.00 0.45 C ATOM 307 OH TYR A 240 -6.014 2.966 -9.525 1.00 0.59 O ATOM 0 H TYR A 240 -5.044 3.673 -3.902 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.286 2.713 -4.171 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.384 5.488 -4.619 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.952 4.753 -5.311 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.567 2.431 -6.660 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -5.184 5.739 -6.066 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -3.886 1.737 -8.614 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -6.501 5.049 -8.018 1.00 0.46 H new ATOM 0 HH TYR A 240 -6.756 3.592 -9.655 1.00 0.59 H new ATOM 317 N ALA A 241 -1.297 4.023 -2.228 1.00 0.17 N ATOM 318 CA ALA A 241 -0.873 4.627 -0.983 1.00 0.19 C ATOM 319 C ALA A 241 0.324 5.530 -1.198 1.00 0.15 C ATOM 320 O ALA A 241 1.328 5.122 -1.785 1.00 0.19 O ATOM 321 CB ALA A 241 -0.570 3.572 0.061 1.00 0.35 C ATOM 0 H ALA A 241 -0.571 3.532 -2.750 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.696 5.238 -0.613 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.254 4.055 0.986 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.465 2.979 0.249 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.227 2.922 -0.299 1.00 0.35 H new ATOM 327 N ARG A 242 0.204 6.758 -0.733 1.00 0.16 N ATOM 328 CA ARG A 242 1.284 7.715 -0.817 1.00 0.16 C ATOM 329 C ARG A 242 2.294 7.421 0.263 1.00 0.14 C ATOM 330 O ARG A 242 2.022 7.594 1.449 1.00 0.23 O ATOM 331 CB ARG A 242 0.775 9.149 -0.642 1.00 0.29 C ATOM 332 CG ARG A 242 1.885 10.196 -0.655 1.00 0.33 C ATOM 333 CD ARG A 242 2.305 10.548 -2.075 1.00 0.79 C ATOM 334 NE ARG A 242 1.180 11.020 -2.883 1.00 1.19 N ATOM 335 CZ ARG A 242 1.269 11.324 -4.181 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.445 11.277 -4.802 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.187 11.693 -4.853 1.00 2.05 N ATOM 0 H ARG A 242 -0.641 7.117 -0.289 1.00 0.16 H new ATOM 0 HA ARG A 242 1.739 7.627 -1.804 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.065 9.374 -1.438 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.231 9.220 0.300 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.544 11.095 -0.142 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.746 9.821 -0.102 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.076 11.318 -2.044 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.748 9.672 -2.549 1.00 0.79 H new ATOM 0 HE ARG A 242 0.273 11.123 -2.428 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.283 11.008 -4.287 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.508 11.510 -5.793 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.715 11.745 -4.379 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.256 11.925 -5.844 1.00 2.05 H new ATOM 351 N VAL A 243 3.444 6.947 -0.140 1.00 0.10 N ATOM 352 CA VAL A 243 4.518 6.747 0.790 1.00 0.14 C ATOM 353 C VAL A 243 5.122 8.091 1.146 1.00 0.11 C ATOM 354 O VAL A 243 5.782 8.731 0.329 1.00 0.15 O ATOM 355 CB VAL A 243 5.593 5.796 0.229 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.905 6.105 -1.219 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.848 5.871 1.073 1.00 0.32 C ATOM 0 H VAL A 243 3.658 6.694 -1.105 1.00 0.10 H new ATOM 0 HA VAL A 243 4.117 6.275 1.687 1.00 0.14 H new ATOM 0 HB VAL A 243 5.200 4.780 0.270 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.667 5.415 -1.582 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.001 5.995 -1.818 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.272 7.128 -1.302 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.600 5.195 0.667 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.233 6.891 1.063 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.615 5.582 2.098 1.00 0.32 H new ATOM 367 N ILE A 244 4.864 8.533 2.358 1.00 0.13 N ATOM 368 CA ILE A 244 5.397 9.796 2.799 1.00 0.15 C ATOM 369 C ILE A 244 6.736 9.605 3.487 1.00 0.14 C ATOM 370 O ILE A 244 7.490 10.554 3.631 1.00 0.20 O ATOM 371 CB ILE A 244 4.427 10.531 3.731 1.00 0.25 C ATOM 372 CG1 ILE A 244 4.036 9.633 4.903 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.200 10.986 2.955 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.028 10.259 5.825 1.00 0.76 C ATOM 0 H ILE A 244 4.295 8.040 3.046 1.00 0.13 H new ATOM 0 HA ILE A 244 5.539 10.412 1.911 1.00 0.15 H new ATOM 0 HB ILE A 244 4.921 11.415 4.134 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.631 8.698 4.515 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.931 9.381 5.472 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.517 11.507 3.626 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.505 11.659 2.154 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.697 10.118 2.528 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.796 9.567 6.634 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.438 11.179 6.241 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.118 10.486 5.269 1.00 0.76 H new ATOM 386 N GLN A 245 7.008 8.376 3.933 1.00 0.12 N ATOM 387 CA GLN A 245 8.317 8.016 4.484 1.00 0.14 C ATOM 388 C GLN A 245 8.583 6.525 4.334 1.00 0.14 C ATOM 389 O GLN A 245 7.946 5.702 4.992 1.00 0.17 O ATOM 390 CB GLN A 245 8.437 8.408 5.960 1.00 0.21 C ATOM 391 CG GLN A 245 8.527 9.904 6.169 1.00 0.33 C ATOM 392 CD GLN A 245 8.677 10.296 7.627 1.00 0.54 C ATOM 393 OE1 GLN A 245 9.788 10.401 8.148 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.558 10.517 8.292 1.00 1.06 N ATOM 0 H GLN A 245 6.335 7.610 3.923 1.00 0.12 H new ATOM 0 HA GLN A 245 9.062 8.572 3.915 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.575 8.022 6.504 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.321 7.933 6.386 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.376 10.293 5.606 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.632 10.376 5.763 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.658 10.419 7.822 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.594 10.786 9.275 1.00 1.06 H new ATOM 403 N LYS A 246 9.489 6.177 3.433 1.00 0.15 N ATOM 404 CA LYS A 246 9.923 4.798 3.289 1.00 0.16 C ATOM 405 C LYS A 246 11.435 4.709 3.183 1.00 0.22 C ATOM 406 O LYS A 246 12.126 5.705 2.967 1.00 0.29 O ATOM 407 CB LYS A 246 9.301 4.126 2.069 1.00 0.18 C ATOM 408 CG LYS A 246 8.762 2.730 2.357 1.00 0.20 C ATOM 409 CD LYS A 246 7.403 2.788 3.052 1.00 0.29 C ATOM 410 CE LYS A 246 6.323 2.042 2.278 1.00 0.28 C ATOM 411 NZ LYS A 246 5.934 2.742 1.028 1.00 0.36 N ATOM 0 H LYS A 246 9.937 6.831 2.791 1.00 0.15 H new ATOM 0 HA LYS A 246 9.587 4.275 4.184 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.490 4.750 1.693 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.048 4.063 1.278 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.671 2.174 1.424 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.470 2.188 2.984 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.490 2.361 4.051 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.105 3.829 3.175 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.680 1.042 2.034 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.444 1.921 2.912 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 5.875 2.055 0.249 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 5.008 3.197 1.159 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 6.646 3.465 0.799 1.00 0.36 H new ATOM 425 N ARG A 247 11.918 3.498 3.333 1.00 0.27 N ATOM 426 CA ARG A 247 13.309 3.170 3.121 1.00 0.37 C ATOM 427 C ARG A 247 13.433 2.731 1.671 1.00 0.27 C ATOM 428 O ARG A 247 12.411 2.436 1.052 1.00 0.21 O ATOM 429 CB ARG A 247 13.687 2.048 4.100 1.00 0.55 C ATOM 430 CG ARG A 247 14.910 1.227 3.725 1.00 0.69 C ATOM 431 CD ARG A 247 15.071 0.050 4.678 1.00 0.72 C ATOM 432 NE ARG A 247 16.026 -0.946 4.193 1.00 1.24 N ATOM 433 CZ ARG A 247 15.786 -2.261 4.180 1.00 1.29 C ATOM 434 NH1 ARG A 247 14.614 -2.732 4.600 1.00 1.33 N ATOM 435 NH2 ARG A 247 16.714 -3.104 3.751 1.00 2.10 N ATOM 0 H ARG A 247 11.347 2.700 3.610 1.00 0.27 H new ATOM 0 HA ARG A 247 13.982 4.009 3.301 1.00 0.37 H new ATOM 0 HB2 ARG A 247 13.857 2.490 5.082 1.00 0.55 H new ATOM 0 HB3 ARG A 247 12.836 1.374 4.197 1.00 0.55 H new ATOM 0 HG2 ARG A 247 14.813 0.864 2.702 1.00 0.69 H new ATOM 0 HG3 ARG A 247 15.801 1.854 3.757 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.399 0.418 5.650 1.00 0.72 H new ATOM 0 HD3 ARG A 247 14.102 -0.426 4.828 1.00 0.72 H new ATOM 0 HE ARG A 247 16.927 -0.618 3.845 1.00 1.24 H new ATOM 0 HH11 ARG A 247 13.896 -2.089 4.933 1.00 1.33 H new ATOM 0 HH12 ARG A 247 14.434 -3.736 4.589 1.00 1.33 H new ATOM 0 HH21 ARG A 247 17.615 -2.750 3.429 1.00 2.10 H new ATOM 0 HH22 ARG A 247 16.527 -4.107 3.743 1.00 2.10 H new ATOM 449 N VAL A 248 14.630 2.712 1.106 1.00 0.32 N ATOM 450 CA VAL A 248 14.780 2.188 -0.243 1.00 0.31 C ATOM 451 C VAL A 248 15.419 0.801 -0.175 1.00 0.26 C ATOM 452 O VAL A 248 16.641 0.658 -0.208 1.00 0.30 O ATOM 453 CB VAL A 248 15.633 3.122 -1.132 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.404 2.821 -2.606 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.331 4.587 -0.837 1.00 1.18 C ATOM 0 H VAL A 248 15.489 3.043 1.545 1.00 0.32 H new ATOM 0 HA VAL A 248 13.791 2.123 -0.696 1.00 0.31 H new ATOM 0 HB VAL A 248 16.682 2.937 -0.899 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.014 3.490 -3.213 1.00 1.12 H new ATOM 0 HG12 VAL A 248 15.682 1.788 -2.814 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.352 2.970 -2.848 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.945 5.221 -1.477 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.277 4.788 -1.031 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.554 4.801 0.208 1.00 1.18 H new ATOM 465 N PRO A 249 14.579 -0.231 -0.031 1.00 0.20 N ATOM 466 CA PRO A 249 14.970 -1.623 0.077 1.00 0.20 C ATOM 467 C PRO A 249 14.738 -2.401 -1.206 1.00 0.27 C ATOM 468 O PRO A 249 14.147 -1.890 -2.153 1.00 0.34 O ATOM 469 CB PRO A 249 14.028 -2.122 1.176 1.00 0.21 C ATOM 470 CG PRO A 249 12.875 -1.145 1.200 1.00 0.23 C ATOM 471 CD PRO A 249 13.138 -0.142 0.112 1.00 0.22 C ATOM 0 HA PRO A 249 16.033 -1.748 0.284 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.680 -3.133 0.964 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.534 -2.154 2.141 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.928 -1.659 1.032 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.804 -0.654 2.170 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.619 -0.396 -0.812 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.816 0.861 0.394 1.00 0.22 H new ATOM 479 N ASN A 250 15.224 -3.622 -1.256 1.00 0.31 N ATOM 480 CA ASN A 250 14.952 -4.468 -2.389 1.00 0.39 C ATOM 481 C ASN A 250 14.099 -5.660 -2.006 1.00 0.36 C ATOM 482 O ASN A 250 13.852 -5.927 -0.831 1.00 0.35 O ATOM 483 CB ASN A 250 16.241 -4.935 -3.061 1.00 0.51 C ATOM 484 CG ASN A 250 17.033 -5.941 -2.245 1.00 1.13 C ATOM 485 OD1 ASN A 250 16.980 -5.963 -1.018 1.00 1.97 O ATOM 486 ND2 ASN A 250 17.781 -6.785 -2.933 1.00 1.56 N ATOM 0 H ASN A 250 15.804 -4.045 -0.531 1.00 0.31 H new ATOM 0 HA ASN A 250 14.391 -3.866 -3.104 1.00 0.39 H new ATOM 0 HB2 ASN A 250 15.996 -5.378 -4.026 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.870 -4.067 -3.259 1.00 0.51 H new ATOM 0 HD21 ASN A 250 18.340 -7.485 -2.446 1.00 1.56 H new ATOM 0 HD22 ASN A 250 17.800 -6.736 -3.952 1.00 1.56 H new ATOM 493 N ALA A 251 13.672 -6.374 -3.027 1.00 0.43 N ATOM 494 CA ALA A 251 12.813 -7.546 -2.879 1.00 0.48 C ATOM 495 C ALA A 251 13.518 -8.699 -2.166 1.00 0.53 C ATOM 496 O ALA A 251 12.883 -9.689 -1.813 1.00 0.60 O ATOM 497 CB ALA A 251 12.300 -7.997 -4.240 1.00 0.59 C ATOM 0 H ALA A 251 13.910 -6.160 -3.996 1.00 0.43 H new ATOM 0 HA ALA A 251 11.970 -7.252 -2.254 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.661 -8.871 -4.116 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.727 -7.191 -4.698 1.00 0.59 H new ATOM 0 HB3 ALA A 251 13.144 -8.252 -4.881 1.00 0.59 H new ATOM 503 N TYR A 252 14.831 -8.596 -1.981 1.00 0.54 N ATOM 504 CA TYR A 252 15.559 -9.587 -1.200 1.00 0.65 C ATOM 505 C TYR A 252 15.300 -9.350 0.284 1.00 0.60 C ATOM 506 O TYR A 252 15.377 -10.269 1.102 1.00 0.69 O ATOM 507 CB TYR A 252 17.063 -9.529 -1.505 1.00 0.77 C ATOM 508 CG TYR A 252 17.903 -10.464 -0.658 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.942 -11.830 -0.915 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.652 -9.977 0.406 1.00 2.46 C ATOM 511 CE1 TYR A 252 18.703 -12.682 -0.134 1.00 2.83 C ATOM 512 CE2 TYR A 252 19.413 -10.822 1.190 1.00 3.46 C ATOM 513 CZ TYR A 252 19.437 -12.171 0.917 1.00 3.61 C ATOM 514 OH TYR A 252 20.192 -13.015 1.705 1.00 4.61 O ATOM 0 H TYR A 252 15.407 -7.843 -2.358 1.00 0.54 H new ATOM 0 HA TYR A 252 15.206 -10.582 -1.472 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.219 -9.770 -2.557 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.414 -8.508 -1.356 1.00 0.77 H new ATOM 0 HD1 TYR A 252 17.369 -12.232 -1.737 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.639 -8.919 0.624 1.00 2.46 H new ATOM 0 HE1 TYR A 252 18.722 -13.741 -0.346 1.00 2.83 H new ATOM 0 HE2 TYR A 252 19.987 -10.426 2.014 1.00 3.46 H new ATOM 0 HH TYR A 252 20.648 -12.494 2.399 1.00 4.61 H new ATOM 524 N ASP A 253 14.983 -8.103 0.611 1.00 0.50 N ATOM 525 CA ASP A 253 14.617 -7.716 1.962 1.00 0.51 C ATOM 526 C ASP A 253 13.173 -8.081 2.198 1.00 0.48 C ATOM 527 O ASP A 253 12.282 -7.247 2.038 1.00 0.43 O ATOM 528 CB ASP A 253 14.802 -6.211 2.127 1.00 0.49 C ATOM 529 CG ASP A 253 14.805 -5.757 3.575 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.850 -5.860 4.252 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.742 -5.321 4.063 1.00 1.32 O ATOM 0 H ASP A 253 14.973 -7.332 -0.057 1.00 0.50 H new ATOM 0 HA ASP A 253 15.250 -8.234 2.683 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.741 -5.915 1.660 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.004 -5.694 1.594 1.00 0.49 H new ATOM 536 N LYS A 254 12.943 -9.329 2.590 1.00 0.55 N ATOM 537 CA LYS A 254 11.623 -9.904 2.537 1.00 0.55 C ATOM 538 C LYS A 254 11.146 -9.812 1.103 1.00 0.49 C ATOM 539 O LYS A 254 11.414 -10.705 0.303 1.00 0.54 O ATOM 540 CB LYS A 254 10.661 -9.218 3.517 1.00 0.57 C ATOM 541 CG LYS A 254 10.916 -9.606 4.967 1.00 0.73 C ATOM 542 CD LYS A 254 11.168 -8.398 5.861 1.00 1.32 C ATOM 543 CE LYS A 254 12.414 -7.638 5.439 1.00 1.62 C ATOM 544 NZ LYS A 254 12.784 -6.578 6.414 1.00 2.40 N ATOM 0 H LYS A 254 13.663 -9.956 2.948 1.00 0.55 H new ATOM 0 HA LYS A 254 11.652 -10.948 2.850 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.755 -8.137 3.414 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.636 -9.476 3.252 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.059 -10.162 5.347 1.00 0.73 H new ATOM 0 HG3 LYS A 254 11.776 -10.274 5.015 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.306 -7.732 5.825 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.274 -8.726 6.895 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.244 -8.336 5.332 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.248 -7.187 4.461 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 13.258 -5.798 5.915 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 11.926 -6.221 6.881 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.428 -6.973 7.129 1.00 2.40 H new ATOM 558 N THR A 255 10.435 -8.751 0.787 1.00 0.42 N ATOM 559 CA THR A 255 10.127 -8.428 -0.595 1.00 0.39 C ATOM 560 C THR A 255 10.187 -6.926 -0.857 1.00 0.31 C ATOM 561 O THR A 255 9.922 -6.489 -1.959 1.00 0.32 O ATOM 562 CB THR A 255 8.756 -8.992 -1.008 1.00 0.47 C ATOM 563 OG1 THR A 255 7.807 -8.811 0.057 1.00 0.49 O ATOM 564 CG2 THR A 255 8.863 -10.468 -1.352 1.00 0.60 C ATOM 0 H THR A 255 10.057 -8.094 1.469 1.00 0.42 H new ATOM 0 HA THR A 255 10.893 -8.902 -1.208 1.00 0.39 H new ATOM 0 HB THR A 255 8.416 -8.451 -1.891 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.919 -9.098 -0.244 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.882 -10.846 -1.641 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.561 -10.599 -2.179 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.223 -11.019 -0.483 1.00 0.60 H new ATOM 572 N ALA A 256 10.633 -6.189 0.153 1.00 0.26 N ATOM 573 CA ALA A 256 10.381 -4.746 0.331 1.00 0.21 C ATOM 574 C ALA A 256 10.267 -3.866 -0.934 1.00 0.17 C ATOM 575 O ALA A 256 11.091 -3.923 -1.850 1.00 0.21 O ATOM 576 CB ALA A 256 11.436 -4.181 1.255 1.00 0.23 C ATOM 0 H ALA A 256 11.201 -6.584 0.902 1.00 0.26 H new ATOM 0 HA ALA A 256 9.374 -4.702 0.747 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.263 -3.114 1.396 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.385 -4.688 2.219 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.423 -4.333 0.817 1.00 0.23 H new ATOM 582 N LEU A 257 9.218 -3.019 -0.919 1.00 0.14 N ATOM 583 CA LEU A 257 8.997 -1.962 -1.920 1.00 0.14 C ATOM 584 C LEU A 257 10.128 -0.947 -1.891 1.00 0.13 C ATOM 585 O LEU A 257 10.359 -0.308 -0.868 1.00 0.15 O ATOM 586 CB LEU A 257 7.701 -1.176 -1.621 1.00 0.15 C ATOM 587 CG LEU A 257 6.371 -1.832 -1.968 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.352 -2.309 -3.406 1.00 0.21 C ATOM 589 CD2 LEU A 257 6.081 -2.962 -1.022 1.00 0.21 C ATOM 0 H LEU A 257 8.493 -3.052 -0.202 1.00 0.14 H new ATOM 0 HA LEU A 257 8.937 -2.460 -2.888 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.690 -0.942 -0.556 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.755 -0.227 -2.155 1.00 0.15 H new ATOM 0 HG LEU A 257 5.586 -1.084 -1.861 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.390 -2.773 -3.623 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.505 -1.460 -4.073 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.148 -3.038 -3.558 1.00 0.21 H new ATOM 0 HD21 LEU A 257 5.127 -3.420 -1.284 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.873 -3.708 -1.092 1.00 0.21 H new ATOM 0 HD23 LEU A 257 6.032 -2.580 -0.002 1.00 0.21 H new ATOM 601 N ALA A 258 10.800 -0.767 -3.009 1.00 0.14 N ATOM 602 CA ALA A 258 11.796 0.283 -3.119 1.00 0.16 C ATOM 603 C ALA A 258 11.142 1.592 -3.538 1.00 0.17 C ATOM 604 O ALA A 258 10.859 1.799 -4.718 1.00 0.24 O ATOM 605 CB ALA A 258 12.865 -0.115 -4.117 1.00 0.22 C ATOM 0 H ALA A 258 10.677 -1.330 -3.851 1.00 0.14 H new ATOM 0 HA ALA A 258 12.262 0.426 -2.144 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.607 0.680 -4.192 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.349 -1.033 -3.785 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.409 -0.278 -5.093 1.00 0.22 H new ATOM 611 N LEU A 259 10.883 2.463 -2.571 1.00 0.13 N ATOM 612 CA LEU A 259 10.254 3.749 -2.852 1.00 0.15 C ATOM 613 C LEU A 259 10.598 4.751 -1.761 1.00 0.15 C ATOM 614 O LEU A 259 11.071 4.373 -0.692 1.00 0.18 O ATOM 615 CB LEU A 259 8.729 3.609 -3.034 1.00 0.20 C ATOM 616 CG LEU A 259 8.093 2.341 -2.458 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.267 2.281 -0.953 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.621 2.276 -2.830 1.00 0.55 C ATOM 0 H LEU A 259 11.098 2.304 -1.587 1.00 0.13 H new ATOM 0 HA LEU A 259 10.649 4.123 -3.797 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.248 4.473 -2.574 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.506 3.650 -4.100 1.00 0.20 H new ATOM 0 HG LEU A 259 8.601 1.478 -2.888 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.806 1.371 -0.569 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.329 2.280 -0.709 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.791 3.149 -0.497 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.180 1.370 -2.414 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.105 3.148 -2.428 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.520 2.264 -3.915 1.00 0.55 H new ATOM 630 N GLU A 260 10.344 6.021 -2.031 1.00 0.18 N ATOM 631 CA GLU A 260 10.814 7.093 -1.189 1.00 0.24 C ATOM 632 C GLU A 260 9.655 8.020 -0.844 1.00 0.20 C ATOM 633 O GLU A 260 8.501 7.732 -1.145 1.00 0.21 O ATOM 634 CB GLU A 260 11.944 7.850 -1.903 1.00 0.39 C ATOM 635 CG GLU A 260 11.491 9.082 -2.677 1.00 0.52 C ATOM 636 CD GLU A 260 12.505 9.529 -3.704 1.00 0.96 C ATOM 637 OE1 GLU A 260 12.717 8.791 -4.689 1.00 1.74 O ATOM 638 OE2 GLU A 260 13.079 10.628 -3.547 1.00 1.27 O ATOM 0 H GLU A 260 9.806 6.331 -2.841 1.00 0.18 H new ATOM 0 HA GLU A 260 11.211 6.688 -0.258 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.684 8.154 -1.163 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.443 7.168 -2.591 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.546 8.866 -3.175 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.304 9.897 -1.978 1.00 0.52 H new ATOM 645 N VAL A 261 9.973 9.102 -0.184 1.00 0.33 N ATOM 646 CA VAL A 261 8.996 10.081 0.235 1.00 0.32 C ATOM 647 C VAL A 261 8.366 10.837 -0.931 1.00 0.22 C ATOM 648 O VAL A 261 9.061 11.451 -1.747 1.00 0.28 O ATOM 649 CB VAL A 261 9.684 11.054 1.180 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.760 12.188 1.573 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.176 10.260 2.360 1.00 0.93 C ATOM 0 H VAL A 261 10.930 9.334 0.083 1.00 0.33 H new ATOM 0 HA VAL A 261 8.178 9.558 0.730 1.00 0.32 H new ATOM 0 HB VAL A 261 10.532 11.537 0.693 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.282 12.865 2.249 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.452 12.732 0.680 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.880 11.784 2.073 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.677 10.926 3.063 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.331 9.781 2.854 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.877 9.498 2.019 1.00 0.93 H new ATOM 661 N GLY A 262 7.043 10.771 -1.006 1.00 0.17 N ATOM 662 CA GLY A 262 6.312 11.540 -1.982 1.00 0.20 C ATOM 663 C GLY A 262 5.819 10.674 -3.108 1.00 0.22 C ATOM 664 O GLY A 262 5.163 11.146 -4.036 1.00 0.31 O ATOM 0 H GLY A 262 6.463 10.191 -0.400 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.466 12.030 -1.501 1.00 0.20 H new ATOM 0 HA3 GLY A 262 6.952 12.327 -2.380 1.00 0.20 H new ATOM 668 N GLU A 263 6.129 9.395 -3.015 1.00 0.16 N ATOM 669 CA GLU A 263 5.846 8.469 -4.080 1.00 0.18 C ATOM 670 C GLU A 263 4.508 7.789 -3.854 1.00 0.15 C ATOM 671 O GLU A 263 3.863 7.994 -2.825 1.00 0.19 O ATOM 672 CB GLU A 263 6.973 7.448 -4.138 1.00 0.23 C ATOM 673 CG GLU A 263 8.341 8.100 -4.077 1.00 0.26 C ATOM 674 CD GLU A 263 8.680 8.839 -5.351 1.00 0.61 C ATOM 675 OE1 GLU A 263 9.170 8.195 -6.301 1.00 1.02 O ATOM 676 OE2 GLU A 263 8.436 10.063 -5.422 1.00 1.04 O ATOM 0 H GLU A 263 6.581 8.977 -2.202 1.00 0.16 H new ATOM 0 HA GLU A 263 5.784 9.000 -5.030 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.869 6.747 -3.309 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.889 6.869 -5.058 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.373 8.794 -3.237 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.097 7.337 -3.890 1.00 0.26 H new ATOM 683 N LEU A 264 4.096 6.974 -4.801 1.00 0.14 N ATOM 684 CA LEU A 264 2.821 6.298 -4.702 1.00 0.13 C ATOM 685 C LEU A 264 2.993 4.833 -5.014 1.00 0.15 C ATOM 686 O LEU A 264 3.920 4.445 -5.722 1.00 0.24 O ATOM 687 CB LEU A 264 1.805 6.933 -5.658 1.00 0.15 C ATOM 688 CG LEU A 264 0.346 6.547 -5.414 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.182 7.240 -4.173 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.508 6.893 -6.622 1.00 0.18 C ATOM 0 H LEU A 264 4.625 6.764 -5.647 1.00 0.14 H new ATOM 0 HA LEU A 264 2.444 6.400 -3.684 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.893 8.017 -5.587 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.070 6.658 -6.679 1.00 0.15 H new ATOM 0 HG LEU A 264 0.295 5.470 -5.257 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.222 6.956 -4.012 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.413 6.943 -3.309 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.117 8.320 -4.304 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.543 6.611 -6.429 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.454 7.965 -6.811 1.00 0.18 H new ATOM 0 HD23 LEU A 264 -0.141 6.352 -7.494 1.00 0.18 H new ATOM 702 N VAL A 265 2.107 4.025 -4.477 1.00 0.14 N ATOM 703 CA VAL A 265 2.178 2.600 -4.665 1.00 0.15 C ATOM 704 C VAL A 265 0.782 2.085 -4.946 1.00 0.15 C ATOM 705 O VAL A 265 -0.204 2.747 -4.625 1.00 0.27 O ATOM 706 CB VAL A 265 2.759 1.896 -3.413 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.702 1.749 -2.342 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.335 0.542 -3.762 1.00 0.41 C ATOM 0 H VAL A 265 1.324 4.337 -3.903 1.00 0.14 H new ATOM 0 HA VAL A 265 2.841 2.382 -5.502 1.00 0.15 H new ATOM 0 HB VAL A 265 3.565 2.522 -3.029 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.132 1.252 -1.472 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.337 2.735 -2.053 1.00 0.40 H new ATOM 0 HG13 VAL A 265 0.874 1.154 -2.727 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.735 0.074 -2.862 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.552 -0.089 -4.182 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.134 0.664 -4.493 1.00 0.41 H new ATOM 718 N LYS A 266 0.697 0.921 -5.536 1.00 0.13 N ATOM 719 CA LYS A 266 -0.578 0.289 -5.758 1.00 0.15 C ATOM 720 C LYS A 266 -0.606 -0.980 -4.936 1.00 0.13 C ATOM 721 O LYS A 266 -0.038 -2.001 -5.316 1.00 0.14 O ATOM 722 CB LYS A 266 -0.788 0.004 -7.255 1.00 0.24 C ATOM 723 CG LYS A 266 -2.156 -0.565 -7.618 1.00 0.85 C ATOM 724 CD LYS A 266 -2.181 -2.087 -7.568 1.00 0.49 C ATOM 725 CE LYS A 266 -1.044 -2.687 -8.386 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.175 -4.157 -8.557 1.00 1.32 N ATOM 0 H LYS A 266 1.500 0.389 -5.873 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.394 0.943 -5.450 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.638 0.930 -7.810 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.021 -0.695 -7.587 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -2.905 -0.169 -6.933 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.432 -0.232 -8.619 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -2.102 -2.420 -6.533 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.136 -2.450 -7.948 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -1.017 -2.212 -9.367 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -0.095 -2.465 -7.899 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -0.314 -4.625 -8.209 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -1.997 -4.497 -8.018 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -1.306 -4.379 -9.565 1.00 1.32 H new ATOM 740 N VAL A 267 -1.251 -0.898 -3.795 1.00 0.16 N ATOM 741 CA VAL A 267 -1.330 -2.016 -2.896 1.00 0.16 C ATOM 742 C VAL A 267 -2.331 -3.026 -3.441 1.00 0.17 C ATOM 743 O VAL A 267 -3.534 -2.746 -3.546 1.00 0.25 O ATOM 744 CB VAL A 267 -1.737 -1.597 -1.469 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.495 -2.729 -0.511 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.990 -0.355 -1.013 1.00 0.63 C ATOM 0 H VAL A 267 -1.731 -0.059 -3.470 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.337 -2.459 -2.829 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.800 -1.356 -1.483 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.785 -2.423 0.494 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -2.086 -3.594 -0.813 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.437 -2.992 -0.519 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.304 -0.092 -0.003 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.082 -0.552 -1.020 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.211 0.471 -1.689 1.00 0.63 H new ATOM 756 N THR A 268 -1.808 -4.180 -3.818 1.00 0.15 N ATOM 757 CA THR A 268 -2.587 -5.246 -4.390 1.00 0.19 C ATOM 758 C THR A 268 -2.959 -6.272 -3.313 1.00 0.22 C ATOM 759 O THR A 268 -3.622 -7.272 -3.595 1.00 0.34 O ATOM 760 CB THR A 268 -1.789 -5.933 -5.525 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.571 -6.955 -6.154 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.484 -6.524 -4.998 1.00 0.29 C ATOM 0 H THR A 268 -0.815 -4.398 -3.731 1.00 0.15 H new ATOM 0 HA THR A 268 -3.504 -4.827 -4.803 1.00 0.19 H new ATOM 0 HB THR A 268 -1.549 -5.171 -6.267 1.00 0.24 H new ATOM 0 HG1 THR A 268 -3.076 -7.447 -5.473 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.056 -7.000 -5.816 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.129 -5.730 -4.572 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.704 -7.264 -4.229 1.00 0.29 H new ATOM 770 N LYS A 269 -2.537 -6.013 -2.075 1.00 0.18 N ATOM 771 CA LYS A 269 -2.703 -6.961 -0.992 1.00 0.20 C ATOM 772 C LYS A 269 -3.245 -6.246 0.219 1.00 0.22 C ATOM 773 O LYS A 269 -2.532 -5.482 0.835 1.00 0.35 O ATOM 774 CB LYS A 269 -1.344 -7.570 -0.662 1.00 0.23 C ATOM 775 CG LYS A 269 -1.380 -8.796 0.234 1.00 0.40 C ATOM 776 CD LYS A 269 -1.191 -10.091 -0.544 1.00 1.55 C ATOM 777 CE LYS A 269 -2.191 -10.243 -1.674 1.00 2.25 C ATOM 778 NZ LYS A 269 -2.165 -11.611 -2.253 1.00 2.84 N ATOM 0 H LYS A 269 -2.075 -5.145 -1.804 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.399 -7.747 -1.285 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.848 -7.837 -1.595 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.730 -6.808 -0.182 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -0.599 -8.713 0.990 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.333 -8.829 0.762 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.180 -10.122 -0.951 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.286 -10.937 0.137 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.193 -10.023 -1.305 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -1.972 -9.514 -2.454 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -2.862 -11.676 -3.022 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -1.216 -11.811 -2.628 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -2.399 -12.305 -1.515 1.00 2.84 H new ATOM 792 N ILE A 270 -4.501 -6.469 0.557 1.00 0.33 N ATOM 793 CA ILE A 270 -5.080 -5.750 1.673 1.00 0.39 C ATOM 794 C ILE A 270 -4.972 -6.548 2.956 1.00 0.55 C ATOM 795 O ILE A 270 -5.058 -7.777 2.951 1.00 0.73 O ATOM 796 CB ILE A 270 -6.555 -5.374 1.470 1.00 0.56 C ATOM 797 CG1 ILE A 270 -6.953 -5.418 -0.009 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.778 -3.987 2.036 1.00 1.09 C ATOM 799 CD1 ILE A 270 -8.369 -4.952 -0.274 1.00 1.90 C ATOM 0 H ILE A 270 -5.126 -7.125 0.088 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.501 -4.829 1.739 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.181 -6.100 1.989 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -6.263 -4.797 -0.580 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -6.841 -6.438 -0.376 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.821 -3.702 1.901 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.536 -3.984 3.099 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.137 -3.275 1.516 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -8.578 -5.011 -1.342 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.069 -5.588 0.268 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -8.481 -3.921 0.061 1.00 1.90 H new ATOM 811 N ASN A 271 -4.776 -5.830 4.047 1.00 0.60 N ATOM 812 CA ASN A 271 -4.721 -6.422 5.369 1.00 0.82 C ATOM 813 C ASN A 271 -5.428 -5.506 6.350 1.00 0.70 C ATOM 814 O ASN A 271 -5.264 -4.284 6.292 1.00 0.87 O ATOM 815 CB ASN A 271 -3.272 -6.645 5.820 1.00 1.17 C ATOM 816 CG ASN A 271 -2.513 -7.598 4.919 1.00 1.58 C ATOM 817 OD1 ASN A 271 -2.465 -8.807 5.155 1.00 2.28 O ATOM 818 ND2 ASN A 271 -1.917 -7.046 3.881 1.00 1.88 N ATOM 0 H ASN A 271 -4.650 -4.818 4.040 1.00 0.60 H new ATOM 0 HA ASN A 271 -5.215 -7.393 5.337 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -2.753 -5.687 5.845 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.270 -7.036 6.838 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -1.387 -7.625 3.230 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -1.986 -6.040 3.729 1.00 1.88 H new ATOM 825 N MET A 272 -6.205 -6.106 7.237 1.00 0.81 N ATOM 826 CA MET A 272 -7.013 -5.387 8.223 1.00 0.97 C ATOM 827 C MET A 272 -6.256 -4.270 8.933 1.00 1.02 C ATOM 828 O MET A 272 -6.776 -3.170 9.113 1.00 1.22 O ATOM 829 CB MET A 272 -7.523 -6.374 9.272 1.00 1.24 C ATOM 830 CG MET A 272 -6.406 -7.200 9.900 1.00 1.30 C ATOM 831 SD MET A 272 -6.906 -8.017 11.427 1.00 2.03 S ATOM 832 CE MET A 272 -8.188 -9.111 10.821 1.00 2.52 C ATOM 0 H MET A 272 -6.297 -7.120 7.298 1.00 0.81 H new ATOM 0 HA MET A 272 -7.833 -4.923 7.674 1.00 0.97 H new ATOM 0 HB2 MET A 272 -8.047 -5.826 10.055 1.00 1.24 H new ATOM 0 HB3 MET A 272 -8.249 -7.044 8.811 1.00 1.24 H new ATOM 0 HG2 MET A 272 -6.072 -7.952 9.185 1.00 1.30 H new ATOM 0 HG3 MET A 272 -5.553 -6.552 10.104 1.00 1.30 H new ATOM 0 HE1 MET A 272 -8.523 -9.761 11.629 1.00 2.52 H new ATOM 0 HE2 MET A 272 -9.029 -8.520 10.458 1.00 2.52 H new ATOM 0 HE3 MET A 272 -7.793 -9.718 10.006 1.00 2.52 H new ATOM 842 N SER A 273 -5.028 -4.554 9.315 1.00 0.93 N ATOM 843 CA SER A 273 -4.299 -3.700 10.234 1.00 1.02 C ATOM 844 C SER A 273 -3.588 -2.559 9.519 1.00 0.91 C ATOM 845 O SER A 273 -3.092 -1.631 10.162 1.00 1.14 O ATOM 846 CB SER A 273 -3.297 -4.549 11.015 1.00 1.14 C ATOM 847 OG SER A 273 -3.926 -5.708 11.544 1.00 1.50 O ATOM 0 H SER A 273 -4.510 -5.375 9.002 1.00 0.93 H new ATOM 0 HA SER A 273 -5.015 -3.244 10.917 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.474 -4.841 10.363 1.00 1.14 H new ATOM 0 HB3 SER A 273 -2.868 -3.960 11.826 1.00 1.14 H new ATOM 0 HG SER A 273 -3.268 -6.240 12.039 1.00 1.50 H new ATOM 853 N GLY A 274 -3.534 -2.612 8.193 1.00 0.64 N ATOM 854 CA GLY A 274 -2.837 -1.577 7.466 1.00 0.61 C ATOM 855 C GLY A 274 -1.439 -2.000 7.100 1.00 0.49 C ATOM 856 O GLY A 274 -0.657 -1.210 6.581 1.00 0.57 O ATOM 0 H GLY A 274 -3.954 -3.343 7.619 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.392 -1.331 6.561 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.797 -0.671 8.071 1.00 0.61 H new ATOM 860 N GLN A 275 -1.117 -3.253 7.363 1.00 0.41 N ATOM 861 CA GLN A 275 0.196 -3.756 7.016 1.00 0.40 C ATOM 862 C GLN A 275 0.061 -4.604 5.770 1.00 0.32 C ATOM 863 O GLN A 275 -0.073 -5.824 5.845 1.00 0.41 O ATOM 864 CB GLN A 275 0.805 -4.560 8.166 1.00 0.56 C ATOM 865 CG GLN A 275 2.286 -4.841 7.980 1.00 0.69 C ATOM 866 CD GLN A 275 2.871 -5.677 9.100 1.00 0.76 C ATOM 867 OE1 GLN A 275 2.899 -6.904 9.023 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.337 -5.021 10.149 1.00 0.81 N ATOM 0 H GLN A 275 -1.736 -3.930 7.808 1.00 0.41 H new ATOM 0 HA GLN A 275 0.871 -2.922 6.826 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.659 -4.015 9.099 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.271 -5.506 8.262 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.437 -5.356 7.031 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.825 -3.896 7.919 1.00 0.69 H new ATOM 0 HE21 GLN A 275 3.295 -4.002 10.173 1.00 0.81 H new ATOM 0 HE22 GLN A 275 3.739 -5.534 10.934 1.00 0.81 H new ATOM 877 N TRP A 276 0.045 -3.936 4.632 1.00 0.22 N ATOM 878 CA TRP A 276 -0.252 -4.580 3.369 1.00 0.17 C ATOM 879 C TRP A 276 0.980 -4.727 2.505 1.00 0.15 C ATOM 880 O TRP A 276 2.068 -4.260 2.855 1.00 0.19 O ATOM 881 CB TRP A 276 -1.308 -3.786 2.604 1.00 0.18 C ATOM 882 CG TRP A 276 -1.483 -2.371 3.076 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.528 -1.392 3.113 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.689 -1.767 3.557 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.063 -0.230 3.611 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.387 -0.433 3.882 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.998 -2.228 3.750 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.341 0.446 4.390 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.945 -1.354 4.251 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.612 -0.031 4.566 1.00 0.47 C ATOM 0 H TRP A 276 0.237 -2.937 4.558 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.629 -5.576 3.599 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -1.041 -3.773 1.547 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.264 -4.304 2.685 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.497 -1.515 2.797 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.555 0.643 3.755 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.262 -3.248 3.512 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.087 1.467 4.636 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.958 -1.697 4.402 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.374 0.627 4.956 1.00 0.47 H new ATOM 901 N GLU A 277 0.793 -5.362 1.362 1.00 0.12 N ATOM 902 CA GLU A 277 1.862 -5.569 0.432 1.00 0.12 C ATOM 903 C GLU A 277 1.668 -4.646 -0.742 1.00 0.11 C ATOM 904 O GLU A 277 0.607 -4.632 -1.339 1.00 0.12 O ATOM 905 CB GLU A 277 1.878 -7.007 -0.063 1.00 0.14 C ATOM 906 CG GLU A 277 2.442 -8.030 0.914 1.00 0.19 C ATOM 907 CD GLU A 277 1.712 -8.135 2.248 1.00 1.21 C ATOM 908 OE1 GLU A 277 0.472 -8.007 2.290 1.00 1.55 O ATOM 909 OE2 GLU A 277 2.389 -8.380 3.270 1.00 2.07 O ATOM 0 H GLU A 277 -0.105 -5.743 1.063 1.00 0.12 H new ATOM 0 HA GLU A 277 2.809 -5.363 0.931 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.858 -7.297 -0.317 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.460 -7.050 -0.983 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.430 -9.009 0.435 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.486 -7.783 1.109 1.00 0.19 H new ATOM 916 N GLY A 278 2.688 -3.905 -1.087 1.00 0.13 N ATOM 917 CA GLY A 278 2.560 -2.937 -2.149 1.00 0.12 C ATOM 918 C GLY A 278 3.134 -3.442 -3.432 1.00 0.12 C ATOM 919 O GLY A 278 3.900 -4.406 -3.451 1.00 0.15 O ATOM 0 H GLY A 278 3.610 -3.951 -0.654 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.508 -2.692 -2.293 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.065 -2.015 -1.863 1.00 0.12 H new ATOM 923 N GLU A 279 2.755 -2.799 -4.502 1.00 0.11 N ATOM 924 CA GLU A 279 3.353 -3.051 -5.780 1.00 0.14 C ATOM 925 C GLU A 279 3.499 -1.719 -6.489 1.00 0.17 C ATOM 926 O GLU A 279 2.510 -1.036 -6.743 1.00 0.20 O ATOM 927 CB GLU A 279 2.467 -4.010 -6.575 1.00 0.20 C ATOM 928 CG GLU A 279 3.103 -4.540 -7.844 1.00 0.31 C ATOM 929 CD GLU A 279 2.231 -5.571 -8.525 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.292 -5.176 -9.243 1.00 1.27 O ATOM 931 OE2 GLU A 279 2.490 -6.782 -8.348 1.00 2.07 O ATOM 0 H GLU A 279 2.024 -2.087 -4.511 1.00 0.11 H new ATOM 0 HA GLU A 279 4.333 -3.516 -5.675 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.200 -4.853 -5.937 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.539 -3.499 -6.833 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.290 -3.713 -8.529 1.00 0.31 H new ATOM 0 HG3 GLU A 279 4.071 -4.982 -7.607 1.00 0.31 H new ATOM 938 N CYS A 280 4.724 -1.331 -6.785 1.00 0.20 N ATOM 939 CA CYS A 280 4.951 -0.024 -7.390 1.00 0.27 C ATOM 940 C CYS A 280 5.770 -0.119 -8.654 1.00 0.29 C ATOM 941 O CYS A 280 6.992 -0.142 -8.601 1.00 0.33 O ATOM 942 CB CYS A 280 5.662 0.908 -6.407 1.00 0.39 C ATOM 943 SG CYS A 280 5.967 2.570 -7.047 1.00 0.51 S ATOM 0 H CYS A 280 5.565 -1.885 -6.623 1.00 0.20 H new ATOM 0 HA CYS A 280 3.970 0.379 -7.643 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.063 0.985 -5.499 1.00 0.39 H new ATOM 0 HB3 CYS A 280 6.614 0.460 -6.124 1.00 0.39 H new ATOM 0 HG CYS A 280 5.178 3.415 -6.453 1.00 0.51 H new ATOM 949 N ASN A 281 5.089 -0.162 -9.788 1.00 0.37 N ATOM 950 CA ASN A 281 5.750 -0.116 -11.089 1.00 0.49 C ATOM 951 C ASN A 281 6.919 -1.098 -11.138 1.00 0.45 C ATOM 952 O ASN A 281 7.950 -0.841 -11.764 1.00 0.53 O ATOM 953 CB ASN A 281 6.226 1.311 -11.386 1.00 0.63 C ATOM 954 CG ASN A 281 5.108 2.338 -11.271 1.00 0.80 C ATOM 955 OD1 ASN A 281 5.348 3.490 -10.913 1.00 1.44 O ATOM 956 ND2 ASN A 281 3.880 1.931 -11.575 1.00 0.97 N ATOM 0 H ASN A 281 4.072 -0.229 -9.837 1.00 0.37 H new ATOM 0 HA ASN A 281 5.033 -0.411 -11.855 1.00 0.49 H new ATOM 0 HB2 ASN A 281 7.028 1.574 -10.696 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.646 1.348 -12.391 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.097 2.582 -11.515 1.00 0.97 H new ATOM 0 HD22 ASN A 281 3.720 0.967 -11.868 1.00 0.97 H new ATOM 963 N GLY A 282 6.724 -2.241 -10.495 1.00 0.37 N ATOM 964 CA GLY A 282 7.719 -3.283 -10.490 1.00 0.39 C ATOM 965 C GLY A 282 8.463 -3.468 -9.176 1.00 0.34 C ATOM 966 O GLY A 282 9.365 -4.298 -9.098 1.00 0.46 O ATOM 0 H GLY A 282 5.878 -2.463 -9.970 1.00 0.37 H new ATOM 0 HA2 GLY A 282 7.236 -4.225 -10.750 1.00 0.39 H new ATOM 0 HA3 GLY A 282 8.447 -3.071 -11.273 1.00 0.39 H new ATOM 970 N LYS A 283 8.110 -2.722 -8.139 1.00 0.25 N ATOM 971 CA LYS A 283 8.472 -3.148 -6.794 1.00 0.23 C ATOM 972 C LYS A 283 7.302 -3.860 -6.178 1.00 0.14 C ATOM 973 O LYS A 283 6.145 -3.546 -6.473 1.00 0.17 O ATOM 974 CB LYS A 283 8.885 -2.025 -5.834 1.00 0.33 C ATOM 975 CG LYS A 283 8.582 -0.624 -6.311 1.00 0.74 C ATOM 976 CD LYS A 283 9.732 0.039 -7.060 1.00 0.61 C ATOM 977 CE LYS A 283 10.974 -0.836 -7.167 1.00 1.28 C ATOM 978 NZ LYS A 283 12.068 -0.157 -7.918 1.00 1.93 N ATOM 0 H LYS A 283 7.590 -1.846 -8.197 1.00 0.25 H new ATOM 0 HA LYS A 283 9.348 -3.784 -6.924 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.383 -2.183 -4.879 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.956 -2.104 -5.648 1.00 0.33 H new ATOM 0 HG2 LYS A 283 7.708 -0.654 -6.961 1.00 0.74 H new ATOM 0 HG3 LYS A 283 8.319 -0.008 -5.451 1.00 0.74 H new ATOM 0 HD2 LYS A 283 9.397 0.304 -8.063 1.00 0.61 H new ATOM 0 HD3 LYS A 283 9.995 0.969 -6.556 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.325 -1.093 -6.167 1.00 1.28 H new ATOM 0 HE3 LYS A 283 10.718 -1.771 -7.665 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 12.896 -0.785 -7.969 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 11.742 0.065 -8.880 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 12.330 0.723 -7.429 1.00 1.93 H new ATOM 992 N ARG A 284 7.617 -4.784 -5.309 1.00 0.16 N ATOM 993 CA ARG A 284 6.636 -5.489 -4.537 1.00 0.12 C ATOM 994 C ARG A 284 7.126 -5.493 -3.099 1.00 0.13 C ATOM 995 O ARG A 284 8.194 -4.968 -2.846 1.00 0.20 O ATOM 996 CB ARG A 284 6.471 -6.904 -5.088 1.00 0.18 C ATOM 997 CG ARG A 284 5.432 -7.742 -4.374 1.00 0.21 C ATOM 998 CD ARG A 284 4.016 -7.339 -4.717 1.00 0.26 C ATOM 999 NE ARG A 284 3.070 -8.303 -4.169 1.00 0.41 N ATOM 1000 CZ ARG A 284 2.053 -8.827 -4.850 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.838 -8.488 -6.119 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.252 -9.698 -4.256 1.00 0.67 N ATOM 0 H ARG A 284 8.577 -5.070 -5.117 1.00 0.16 H new ATOM 0 HA ARG A 284 5.657 -5.013 -4.589 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.204 -6.840 -6.143 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.432 -7.416 -5.032 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.579 -8.791 -4.632 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.579 -7.655 -3.297 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.806 -6.346 -4.319 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.899 -7.279 -5.799 1.00 0.26 H new ATOM 0 HE ARG A 284 3.195 -8.595 -3.200 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.456 -7.820 -6.580 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.056 -8.896 -6.630 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.417 -9.962 -3.285 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.470 -10.105 -4.770 1.00 0.67 H new ATOM 1016 N GLY A 285 6.332 -5.975 -2.155 1.00 0.14 N ATOM 1017 CA GLY A 285 6.825 -6.144 -0.803 1.00 0.18 C ATOM 1018 C GLY A 285 5.737 -5.884 0.193 1.00 0.14 C ATOM 1019 O GLY A 285 4.581 -5.926 -0.170 1.00 0.15 O ATOM 0 H GLY A 285 5.361 -6.251 -2.299 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.209 -7.156 -0.674 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.657 -5.463 -0.626 1.00 0.18 H new ATOM 1023 N HIS A 286 6.089 -5.590 1.430 1.00 0.15 N ATOM 1024 CA HIS A 286 5.091 -5.219 2.427 1.00 0.13 C ATOM 1025 C HIS A 286 5.602 -4.109 3.336 1.00 0.15 C ATOM 1026 O HIS A 286 6.767 -4.102 3.740 1.00 0.20 O ATOM 1027 CB HIS A 286 4.617 -6.435 3.243 1.00 0.18 C ATOM 1028 CG HIS A 286 5.698 -7.282 3.855 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.472 -8.553 4.340 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.005 -7.037 4.064 1.00 0.67 C ATOM 1031 CE1 HIS A 286 6.598 -9.043 4.823 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.549 -8.141 4.672 1.00 0.52 N ATOM 0 H HIS A 286 7.050 -5.599 1.771 1.00 0.15 H new ATOM 0 HA HIS A 286 4.225 -4.835 1.888 1.00 0.13 H new ATOM 0 HB2 HIS A 286 3.966 -6.080 4.042 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.011 -7.068 2.595 1.00 0.18 H new ATOM 0 HD1 HIS A 286 4.575 -9.038 4.327 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.532 -6.132 3.800 1.00 0.67 H new ATOM 0 HE1 HIS A 286 6.721 -10.020 5.268 1.00 0.65 H new ATOM 1041 N PHE A 287 4.720 -3.166 3.631 1.00 0.14 N ATOM 1042 CA PHE A 287 5.059 -2.002 4.445 1.00 0.17 C ATOM 1043 C PHE A 287 3.834 -1.512 5.217 1.00 0.20 C ATOM 1044 O PHE A 287 2.739 -1.425 4.664 1.00 0.29 O ATOM 1045 CB PHE A 287 5.630 -0.873 3.573 1.00 0.20 C ATOM 1046 CG PHE A 287 7.091 -1.014 3.261 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.043 -0.841 4.252 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.514 -1.300 1.977 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.389 -0.953 3.968 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.856 -1.408 1.685 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.795 -1.237 2.681 1.00 0.30 C ATOM 0 H PHE A 287 3.750 -3.183 3.315 1.00 0.14 H new ATOM 0 HA PHE A 287 5.824 -2.300 5.162 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.072 -0.835 2.637 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.469 0.079 4.079 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.728 -0.616 5.260 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.784 -1.440 1.193 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.121 -0.819 4.750 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.173 -1.627 0.676 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.847 -1.325 2.453 1.00 0.30 H new ATOM 1061 N PRO A 288 4.015 -1.195 6.509 1.00 0.22 N ATOM 1062 CA PRO A 288 2.911 -0.805 7.402 1.00 0.26 C ATOM 1063 C PRO A 288 2.301 0.567 7.085 1.00 0.24 C ATOM 1064 O PRO A 288 2.907 1.405 6.405 1.00 0.28 O ATOM 1065 CB PRO A 288 3.560 -0.792 8.789 1.00 0.33 C ATOM 1066 CG PRO A 288 5.012 -0.582 8.541 1.00 0.54 C ATOM 1067 CD PRO A 288 5.310 -1.217 7.211 1.00 0.32 C ATOM 0 HA PRO A 288 2.072 -1.494 7.302 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.148 0.004 9.409 1.00 0.33 H new ATOM 0 HB3 PRO A 288 3.382 -1.730 9.315 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.254 0.481 8.527 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.611 -1.035 9.331 1.00 0.54 H new ATOM 0 HD2 PRO A 288 6.070 -0.660 6.664 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.683 -2.234 7.329 1.00 0.32 H new ATOM 1075 N PHE A 289 1.100 0.780 7.627 1.00 0.31 N ATOM 1076 CA PHE A 289 0.303 1.987 7.398 1.00 0.37 C ATOM 1077 C PHE A 289 0.869 3.175 8.193 1.00 0.33 C ATOM 1078 O PHE A 289 0.382 4.300 8.096 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.148 1.708 7.823 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.185 2.624 7.218 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -1.839 3.485 6.189 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -3.490 2.638 7.682 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -2.773 4.338 5.634 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -4.430 3.489 7.132 1.00 1.12 C ATOM 1085 CZ PHE A 289 -4.119 4.283 6.100 1.00 0.50 C ATOM 0 H PHE A 289 0.647 0.108 8.247 1.00 0.31 H new ATOM 0 HA PHE A 289 0.338 2.247 6.340 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.396 0.680 7.558 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.212 1.781 8.909 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -0.826 3.489 5.816 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -3.777 1.975 8.485 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -2.488 5.035 4.860 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -5.429 3.514 7.541 1.00 1.12 H new ATOM 0 HZ PHE A 289 -4.884 4.878 5.623 1.00 0.50 H new ATOM 1095 N THR A 290 1.926 2.907 8.951 1.00 0.33 N ATOM 1096 CA THR A 290 2.497 3.855 9.899 1.00 0.41 C ATOM 1097 C THR A 290 3.083 5.108 9.240 1.00 0.38 C ATOM 1098 O THR A 290 3.222 6.146 9.883 1.00 0.57 O ATOM 1099 CB THR A 290 3.605 3.154 10.695 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.385 2.351 9.795 1.00 0.50 O ATOM 1101 CG2 THR A 290 3.028 2.279 11.800 1.00 0.61 C ATOM 0 H THR A 290 2.417 2.013 8.924 1.00 0.33 H new ATOM 0 HA THR A 290 1.681 4.187 10.542 1.00 0.41 H new ATOM 0 HB THR A 290 4.231 3.912 11.166 1.00 0.51 H new ATOM 0 HG1 THR A 290 5.098 1.899 10.294 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.840 1.797 12.344 1.00 0.61 H new ATOM 0 HG22 THR A 290 2.447 2.895 12.486 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.383 1.517 11.362 1.00 0.61 H new ATOM 1109 N HIS A 291 3.419 5.019 7.960 1.00 0.25 N ATOM 1110 CA HIS A 291 4.114 6.109 7.280 1.00 0.26 C ATOM 1111 C HIS A 291 3.708 6.158 5.821 1.00 0.23 C ATOM 1112 O HIS A 291 4.493 6.519 4.938 1.00 0.26 O ATOM 1113 CB HIS A 291 5.641 5.986 7.426 1.00 0.35 C ATOM 1114 CG HIS A 291 6.186 4.586 7.349 1.00 0.40 C ATOM 1115 ND1 HIS A 291 5.604 3.569 6.616 1.00 1.01 N ATOM 1116 CD2 HIS A 291 7.279 4.042 7.934 1.00 1.26 C ATOM 1117 CE1 HIS A 291 6.316 2.466 6.759 1.00 0.72 C ATOM 1118 NE2 HIS A 291 7.336 2.726 7.550 1.00 0.88 N ATOM 0 H HIS A 291 3.224 4.209 7.372 1.00 0.25 H new ATOM 0 HA HIS A 291 3.821 7.045 7.755 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.113 6.585 6.647 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.934 6.420 8.382 1.00 0.35 H new ATOM 0 HD2 HIS A 291 7.977 4.550 8.583 1.00 1.26 H new ATOM 0 HE1 HIS A 291 6.098 1.511 6.304 1.00 0.72 H new ATOM 0 HE2 HIS A 291 8.053 2.057 7.832 1.00 0.88 H new ATOM 1127 N VAL A 292 2.473 5.768 5.581 1.00 0.21 N ATOM 1128 CA VAL A 292 1.870 5.873 4.271 1.00 0.21 C ATOM 1129 C VAL A 292 0.480 6.481 4.394 1.00 0.24 C ATOM 1130 O VAL A 292 -0.181 6.336 5.420 1.00 0.32 O ATOM 1131 CB VAL A 292 1.783 4.504 3.575 1.00 0.23 C ATOM 1132 CG1 VAL A 292 3.169 3.937 3.342 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.953 3.535 4.386 1.00 0.51 C ATOM 0 H VAL A 292 1.859 5.369 6.291 1.00 0.21 H new ATOM 0 HA VAL A 292 2.502 6.517 3.660 1.00 0.21 H new ATOM 0 HB VAL A 292 1.296 4.648 2.611 1.00 0.23 H new ATOM 0 HG11 VAL A 292 3.088 2.968 2.849 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.740 4.619 2.711 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.678 3.816 4.298 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.908 2.575 3.871 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.408 3.399 5.367 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.056 3.931 4.505 1.00 0.51 H new ATOM 1143 N ARG A 293 0.057 7.179 3.361 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.235 7.840 3.365 1.00 0.24 C ATOM 1145 C ARG A 293 -2.081 7.335 2.234 1.00 0.24 C ATOM 1146 O ARG A 293 -1.853 7.651 1.074 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.052 9.341 3.255 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.196 9.911 4.372 1.00 0.38 C ATOM 1149 CD ARG A 293 -0.951 9.948 5.694 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.090 10.349 6.805 1.00 0.55 N ATOM 1151 CZ ARG A 293 0.045 9.659 7.938 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.679 8.568 8.153 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.893 10.073 8.871 1.00 0.74 N ATOM 0 H ARG A 293 0.592 7.305 2.502 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.741 7.616 4.304 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.593 9.577 2.295 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.029 9.824 3.269 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.705 9.308 4.484 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.125 10.919 4.107 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.787 10.642 5.615 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.372 8.964 5.899 1.00 0.45 H new ATOM 0 HE ARG A 293 0.443 11.213 6.707 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.345 8.251 7.449 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.569 8.046 9.023 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.442 10.920 8.722 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.996 9.545 9.737 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.070 6.562 2.590 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.791 5.783 1.626 1.00 0.26 C ATOM 1169 C LEU A 294 -4.819 6.576 0.864 1.00 0.27 C ATOM 1170 O LEU A 294 -5.617 7.334 1.413 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.426 4.577 2.303 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.013 3.548 1.358 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -3.900 3.002 0.500 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.697 2.433 2.132 1.00 1.31 C ATOM 0 H LEU A 294 -3.396 6.456 3.551 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.066 5.446 0.885 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.674 4.090 2.925 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.214 4.927 2.970 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.769 4.015 0.727 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -4.302 2.259 -0.188 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -3.446 3.814 -0.068 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.145 2.538 1.135 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.111 1.706 1.433 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -4.971 1.941 2.780 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.500 2.851 2.739 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.741 6.374 -0.426 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.666 6.894 -1.394 1.00 0.31 C ATOM 1188 C LEU A 295 -6.811 5.923 -1.582 1.00 0.36 C ATOM 1189 O LEU A 295 -7.072 5.449 -2.689 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.964 7.070 -2.713 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.068 8.283 -2.852 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.841 8.177 -1.955 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.677 8.399 -4.298 1.00 0.39 C ATOM 0 H LEU A 295 -3.997 5.817 -0.847 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.048 7.852 -1.041 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -4.363 6.180 -2.899 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.720 7.114 -3.497 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.603 9.178 -2.534 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.221 9.064 -2.081 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.157 8.099 -0.915 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.267 7.291 -2.227 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.030 9.266 -4.431 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -3.145 7.498 -4.605 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.572 8.517 -4.909 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.419 5.590 -0.476 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.536 4.656 -0.420 1.00 0.66 C ATOM 1207 C ASP A 296 -9.549 4.901 -1.534 1.00 0.86 C ATOM 1208 O ASP A 296 -10.024 6.022 -1.739 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.218 4.721 0.953 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.424 6.142 1.458 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -8.477 6.737 2.018 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -10.534 6.680 1.272 1.00 1.97 O ATOM 0 H ASP A 296 -7.154 5.962 0.436 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.131 3.655 -0.570 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.184 4.220 0.895 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -8.617 4.170 1.676 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.815 3.839 -2.282 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.827 3.845 -3.331 1.00 0.87 C ATOM 1219 C GLN A 297 -12.211 4.021 -2.712 1.00 1.60 C ATOM 1220 O GLN A 297 -12.386 3.601 -1.546 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.761 2.528 -4.126 1.00 1.01 C ATOM 1222 CG GLN A 297 -10.912 1.298 -3.246 1.00 2.20 C ATOM 1223 CD GLN A 297 -12.316 0.706 -3.236 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -12.623 -0.200 -4.007 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -13.180 1.223 -2.380 1.00 3.77 N ATOM 1226 OXT GLN A 297 -13.114 4.541 -3.398 1.00 2.17 O ATOM 0 H GLN A 297 -9.334 2.946 -2.178 1.00 0.62 H new ATOM 0 HA GLN A 297 -10.638 4.676 -4.011 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -11.546 2.526 -4.882 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -9.809 2.476 -4.655 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -10.211 0.535 -3.584 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -10.632 1.559 -2.225 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -12.890 1.975 -1.754 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -14.136 0.870 -2.345 1.00 3.77 H new TER 1235 GLN A 297