USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 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 280 CYS SG : rot 95:sc= -0.669! USER MOD Set 1.2: A 281 ASN : amide:sc= 0.528 K(o=-0.14,f=-1.2) USER MOD Set 2.1: A 269 LYS NZ :NH3+ 163:sc= 0.981 (180deg=-0.228!) USER MOD Set 2.2: A 271 ASN : amide:sc= -1.56! X(o=-0.58!,f=-0.18) USER MOD Set 3.1: A 255 THR OG1 : rot 180:sc= -0.362! USER MOD Set 3.2: A 286 HIS : no HE2:sc= -0.64 K(o=-1,f=-11!) USER MOD Set 4.1: A 224 GLN : amide:sc= 0.255 X(o=0.87,f=1.4) USER MOD Set 4.2: A 235 GLN : amide:sc= 0.615 X(o=0.87,f=1.4) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 228 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 233 ASN : amide:sc= -0.0638 K(o=-0.064,f=-0.71) USER MOD Single : A 236 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.54) 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+ -125:sc= 0 (180deg=-1.54) USER MOD Single : A 250 ASN : amide:sc= 0.763 K(o=0.76,f=-8.7!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 266 LYS NZ :NH3+ 155:sc= 1.12 (180deg=0.902) USER MOD Single : A 268 THR OG1 : rot 180:sc= 0 USER MOD Single : A 272 MET CE :methyl 152:sc= -0.356 (180deg=-1.25!) USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 165:sc= -0.0392 (180deg=-0.265) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.628 USER MOD Single : A 291 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-0.65) USER MOD Single : A 297 GLN : amide:sc= -0.323! C(o=-0.32!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -14.912 10.879 -3.359 1.00 6.89 N ATOM 2 CA GLY A 220 -15.101 10.236 -2.039 1.00 6.03 C ATOM 3 C GLY A 220 -14.448 8.872 -1.983 1.00 5.17 C ATOM 4 O GLY A 220 -13.502 8.614 -2.726 1.00 5.52 O ATOM 0 HA2 GLY A 220 -14.681 10.873 -1.260 1.00 6.03 H new ATOM 0 HA3 GLY A 220 -16.166 10.138 -1.831 1.00 6.03 H new ATOM 10 N PRO A 221 -14.938 7.972 -1.113 1.00 4.25 N ATOM 11 CA PRO A 221 -14.379 6.619 -0.964 1.00 3.64 C ATOM 12 C PRO A 221 -14.592 5.766 -2.216 1.00 3.42 C ATOM 13 O PRO A 221 -13.858 4.812 -2.460 1.00 3.65 O ATOM 14 CB PRO A 221 -15.153 6.040 0.228 1.00 3.01 C ATOM 15 CG PRO A 221 -15.799 7.204 0.894 1.00 3.25 C ATOM 16 CD PRO A 221 -16.062 8.199 -0.196 1.00 4.10 C ATOM 0 HA PRO A 221 -13.300 6.635 -0.813 1.00 3.64 H new ATOM 0 HB2 PRO A 221 -15.897 5.316 -0.103 1.00 3.01 H new ATOM 0 HB3 PRO A 221 -14.484 5.519 0.913 1.00 3.01 H new ATOM 0 HG2 PRO A 221 -16.725 6.909 1.387 1.00 3.25 H new ATOM 0 HG3 PRO A 221 -15.150 7.626 1.661 1.00 3.25 H new ATOM 0 HD2 PRO A 221 -17.023 8.025 -0.681 1.00 4.10 H new ATOM 0 HD3 PRO A 221 -16.077 9.221 0.183 1.00 4.10 H new ATOM 24 N TYR A 222 -15.629 6.115 -2.976 1.00 3.36 N ATOM 25 CA TYR A 222 -15.889 5.558 -4.307 1.00 3.25 C ATOM 26 C TYR A 222 -16.358 4.112 -4.279 1.00 2.52 C ATOM 27 O TYR A 222 -17.522 3.833 -4.568 1.00 2.61 O ATOM 28 CB TYR A 222 -14.671 5.712 -5.223 1.00 3.76 C ATOM 29 CG TYR A 222 -15.025 5.613 -6.688 1.00 4.63 C ATOM 30 CD1 TYR A 222 -16.022 6.414 -7.222 1.00 5.08 C ATOM 31 CD2 TYR A 222 -14.372 4.726 -7.533 1.00 5.31 C ATOM 32 CE1 TYR A 222 -16.363 6.337 -8.555 1.00 6.03 C ATOM 33 CE2 TYR A 222 -14.709 4.643 -8.872 1.00 6.23 C ATOM 34 CZ TYR A 222 -15.705 5.453 -9.377 1.00 6.52 C ATOM 35 OH TYR A 222 -16.052 5.376 -10.706 1.00 7.54 O ATOM 0 H TYR A 222 -16.323 6.802 -2.682 1.00 3.36 H new ATOM 0 HA TYR A 222 -16.714 6.142 -4.715 1.00 3.25 H new ATOM 0 HB2 TYR A 222 -14.198 6.675 -5.032 1.00 3.76 H new ATOM 0 HB3 TYR A 222 -13.938 4.943 -4.978 1.00 3.76 H new ATOM 0 HD1 TYR A 222 -16.541 7.112 -6.582 1.00 5.08 H new ATOM 0 HD2 TYR A 222 -13.591 4.092 -7.140 1.00 5.31 H new ATOM 0 HE1 TYR A 222 -17.144 6.968 -8.952 1.00 6.03 H new ATOM 0 HE2 TYR A 222 -14.195 3.948 -9.519 1.00 6.23 H new ATOM 0 HH TYR A 222 -15.494 4.705 -11.152 1.00 7.54 H new ATOM 45 N ALA A 223 -15.471 3.197 -3.950 1.00 2.13 N ATOM 46 CA ALA A 223 -15.775 1.790 -4.024 1.00 2.17 C ATOM 47 C ALA A 223 -16.743 1.394 -2.930 1.00 2.50 C ATOM 48 O ALA A 223 -17.838 0.894 -3.195 1.00 3.04 O ATOM 49 CB ALA A 223 -14.483 1.027 -3.927 1.00 2.26 C ATOM 0 H ALA A 223 -14.527 3.408 -3.627 1.00 2.13 H new ATOM 0 HA ALA A 223 -16.261 1.556 -4.971 1.00 2.17 H new ATOM 0 HB1 ALA A 223 -14.687 -0.042 -3.981 1.00 2.26 H new ATOM 0 HB2 ALA A 223 -13.829 1.313 -4.750 1.00 2.26 H new ATOM 0 HB3 ALA A 223 -13.995 1.256 -2.979 1.00 2.26 H new ATOM 55 N GLN A 224 -16.322 1.623 -1.707 1.00 2.41 N ATOM 56 CA GLN A 224 -17.154 1.438 -0.548 1.00 2.84 C ATOM 57 C GLN A 224 -16.835 2.556 0.385 1.00 2.61 C ATOM 58 O GLN A 224 -15.883 3.283 0.125 1.00 2.25 O ATOM 59 CB GLN A 224 -16.851 0.115 0.121 1.00 3.26 C ATOM 60 CG GLN A 224 -17.674 -1.043 -0.422 1.00 3.94 C ATOM 61 CD GLN A 224 -17.285 -2.389 0.163 1.00 4.73 C ATOM 62 OE1 GLN A 224 -17.414 -3.416 -0.501 1.00 5.34 O ATOM 63 NE2 GLN A 224 -16.811 -2.402 1.399 1.00 5.07 N ATOM 0 H GLN A 224 -15.379 1.947 -1.490 1.00 2.41 H new ATOM 0 HA GLN A 224 -18.208 1.433 -0.827 1.00 2.84 H new ATOM 0 HB2 GLN A 224 -15.792 -0.112 -0.004 1.00 3.26 H new ATOM 0 HB3 GLN A 224 -17.032 0.209 1.192 1.00 3.26 H new ATOM 0 HG2 GLN A 224 -18.728 -0.857 -0.216 1.00 3.94 H new ATOM 0 HG3 GLN A 224 -17.563 -1.081 -1.506 1.00 3.94 H new ATOM 0 HE21 GLN A 224 -16.718 -1.529 1.919 1.00 5.07 H new ATOM 0 HE22 GLN A 224 -16.538 -3.285 1.831 1.00 5.07 H new ATOM 72 N PRO A 225 -17.582 2.751 1.468 1.00 3.00 N ATOM 73 CA PRO A 225 -17.127 3.673 2.477 1.00 2.88 C ATOM 74 C PRO A 225 -15.801 3.179 3.029 1.00 2.43 C ATOM 75 O PRO A 225 -15.747 2.201 3.783 1.00 2.62 O ATOM 76 CB PRO A 225 -18.219 3.617 3.539 1.00 3.40 C ATOM 77 CG PRO A 225 -19.414 3.049 2.850 1.00 4.04 C ATOM 78 CD PRO A 225 -18.883 2.147 1.778 1.00 3.72 C ATOM 0 HA PRO A 225 -16.966 4.688 2.113 1.00 2.88 H new ATOM 0 HB2 PRO A 225 -17.917 2.993 4.380 1.00 3.40 H new ATOM 0 HB3 PRO A 225 -18.430 4.609 3.938 1.00 3.40 H new ATOM 0 HG2 PRO A 225 -20.042 2.496 3.549 1.00 4.04 H new ATOM 0 HG3 PRO A 225 -20.031 3.840 2.424 1.00 4.04 H new ATOM 0 HD2 PRO A 225 -18.780 1.119 2.127 1.00 3.72 H new ATOM 0 HD3 PRO A 225 -19.537 2.124 0.907 1.00 3.72 H new ATOM 86 N SER A 226 -14.752 3.905 2.676 1.00 2.20 N ATOM 87 CA SER A 226 -13.369 3.515 2.935 1.00 2.08 C ATOM 88 C SER A 226 -13.068 2.047 2.564 1.00 1.74 C ATOM 89 O SER A 226 -13.930 1.300 2.096 1.00 1.98 O ATOM 90 CB SER A 226 -13.025 3.776 4.403 1.00 2.61 C ATOM 91 OG SER A 226 -13.462 5.065 4.810 1.00 3.08 O ATOM 0 H SER A 226 -14.836 4.799 2.192 1.00 2.20 H new ATOM 0 HA SER A 226 -12.740 4.127 2.289 1.00 2.08 H new ATOM 0 HB2 SER A 226 -13.492 3.016 5.030 1.00 2.61 H new ATOM 0 HB3 SER A 226 -11.948 3.691 4.548 1.00 2.61 H new ATOM 0 HG SER A 226 -13.232 5.206 5.752 1.00 3.08 H new ATOM 97 N ILE A 227 -11.811 1.656 2.742 1.00 1.37 N ATOM 98 CA ILE A 227 -11.406 0.270 2.565 1.00 1.12 C ATOM 99 C ILE A 227 -11.070 -0.312 3.937 1.00 1.27 C ATOM 100 O ILE A 227 -10.033 -0.002 4.523 1.00 1.47 O ATOM 101 CB ILE A 227 -10.205 0.109 1.574 1.00 0.97 C ATOM 102 CG1 ILE A 227 -10.663 0.296 0.117 1.00 1.20 C ATOM 103 CG2 ILE A 227 -9.556 -1.258 1.727 1.00 1.14 C ATOM 104 CD1 ILE A 227 -11.053 1.716 -0.237 1.00 1.47 C ATOM 0 H ILE A 227 -11.053 2.284 3.010 1.00 1.37 H new ATOM 0 HA ILE A 227 -12.233 -0.277 2.114 1.00 1.12 H new ATOM 0 HB ILE A 227 -9.475 0.881 1.818 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -9.861 -0.024 -0.548 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -11.513 -0.359 -0.071 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -8.724 -1.346 1.028 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -9.187 -1.374 2.746 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -10.291 -2.035 1.516 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -11.363 1.759 -1.281 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -11.878 2.036 0.400 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -10.199 2.377 -0.084 1.00 1.47 H new ATOM 116 N ASN A 228 -11.976 -1.129 4.456 1.00 1.52 N ATOM 117 CA ASN A 228 -11.898 -1.592 5.836 1.00 1.82 C ATOM 118 C ASN A 228 -12.383 -3.033 5.938 1.00 1.80 C ATOM 119 O ASN A 228 -13.349 -3.408 5.274 1.00 2.07 O ATOM 120 CB ASN A 228 -12.754 -0.685 6.730 1.00 2.42 C ATOM 121 CG ASN A 228 -12.700 -1.066 8.195 1.00 3.09 C ATOM 122 OD1 ASN A 228 -11.680 -1.541 8.695 1.00 3.44 O ATOM 123 ND2 ASN A 228 -13.800 -0.855 8.894 1.00 3.83 N ATOM 0 H ASN A 228 -12.779 -1.487 3.939 1.00 1.52 H new ATOM 0 HA ASN A 228 -10.860 -1.551 6.168 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -12.419 0.346 6.617 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -13.789 -0.723 6.390 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -13.826 -1.088 9.887 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -14.624 -0.459 8.441 1.00 3.83 H new ATOM 130 N THR A 229 -11.704 -3.832 6.765 1.00 1.66 N ATOM 131 CA THR A 229 -12.023 -5.255 6.924 1.00 1.67 C ATOM 132 C THR A 229 -11.937 -5.988 5.574 1.00 1.68 C ATOM 133 O THR A 229 -12.761 -6.852 5.272 1.00 2.22 O ATOM 134 CB THR A 229 -13.447 -5.418 7.485 1.00 1.80 C ATOM 135 OG1 THR A 229 -13.719 -4.378 8.439 1.00 1.91 O ATOM 136 CG2 THR A 229 -13.623 -6.768 8.162 1.00 1.88 C ATOM 0 H THR A 229 -10.923 -3.515 7.340 1.00 1.66 H new ATOM 0 HA THR A 229 -11.298 -5.686 7.615 1.00 1.67 H new ATOM 0 HB THR A 229 -14.143 -5.352 6.649 1.00 1.80 H new ATOM 0 HG1 THR A 229 -14.627 -4.486 8.791 1.00 1.91 H new ATOM 0 HG21 THR A 229 -14.639 -6.852 8.548 1.00 1.88 H new ATOM 0 HG22 THR A 229 -13.442 -7.564 7.439 1.00 1.88 H new ATOM 0 HG23 THR A 229 -12.914 -6.857 8.985 1.00 1.88 H new ATOM 144 N PRO A 230 -10.930 -5.676 4.746 1.00 1.34 N ATOM 145 CA PRO A 230 -10.923 -6.050 3.353 1.00 1.46 C ATOM 146 C PRO A 230 -9.993 -7.208 3.001 1.00 1.44 C ATOM 147 O PRO A 230 -9.014 -7.490 3.696 1.00 1.32 O ATOM 148 CB PRO A 230 -10.427 -4.751 2.733 1.00 1.46 C ATOM 149 CG PRO A 230 -9.526 -4.131 3.772 1.00 1.48 C ATOM 150 CD PRO A 230 -9.719 -4.911 5.049 1.00 1.35 C ATOM 0 HA PRO A 230 -11.891 -6.418 3.012 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -9.886 -4.939 1.806 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -11.258 -4.090 2.488 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -8.485 -4.169 3.451 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -9.776 -3.080 3.921 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -8.869 -5.558 5.266 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -9.852 -4.258 5.912 1.00 1.35 H new ATOM 158 N LEU A 231 -10.334 -7.885 1.919 1.00 1.78 N ATOM 159 CA LEU A 231 -9.469 -8.890 1.326 1.00 1.82 C ATOM 160 C LEU A 231 -8.785 -8.279 0.108 1.00 1.52 C ATOM 161 O LEU A 231 -9.341 -7.367 -0.505 1.00 1.52 O ATOM 162 CB LEU A 231 -10.269 -10.141 0.922 1.00 2.34 C ATOM 163 CG LEU A 231 -10.789 -11.005 2.080 1.00 2.79 C ATOM 164 CD1 LEU A 231 -11.934 -10.323 2.815 1.00 3.30 C ATOM 165 CD2 LEU A 231 -11.226 -12.366 1.566 1.00 3.42 C ATOM 0 H LEU A 231 -11.218 -7.754 1.427 1.00 1.78 H new ATOM 0 HA LEU A 231 -8.723 -9.203 2.057 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -11.120 -9.826 0.318 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -9.639 -10.762 0.285 1.00 2.34 H new ATOM 0 HG LEU A 231 -9.973 -11.139 2.790 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -12.277 -10.963 3.628 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -11.590 -9.372 3.222 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -12.756 -10.145 2.122 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -11.592 -12.968 2.397 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -12.021 -12.239 0.831 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -10.378 -12.868 1.100 1.00 3.42 H new ATOM 177 N PRO A 232 -7.583 -8.760 -0.261 1.00 1.40 N ATOM 178 CA PRO A 232 -6.791 -8.168 -1.351 1.00 1.28 C ATOM 179 C PRO A 232 -7.584 -8.046 -2.651 1.00 1.55 C ATOM 180 O PRO A 232 -8.144 -9.031 -3.139 1.00 1.84 O ATOM 181 CB PRO A 232 -5.631 -9.151 -1.521 1.00 1.40 C ATOM 182 CG PRO A 232 -5.506 -9.826 -0.200 1.00 1.45 C ATOM 183 CD PRO A 232 -6.900 -9.916 0.352 1.00 1.54 C ATOM 0 HA PRO A 232 -6.476 -7.151 -1.118 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -5.835 -9.870 -2.315 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -4.710 -8.633 -1.789 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -5.064 -10.817 -0.308 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -4.858 -9.259 0.468 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -7.380 -10.857 0.082 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -6.906 -9.856 1.440 1.00 1.54 H new ATOM 191 N ASN A 233 -7.595 -6.828 -3.208 1.00 1.58 N ATOM 192 CA ASN A 233 -8.432 -6.480 -4.364 1.00 2.01 C ATOM 193 C ASN A 233 -9.902 -6.687 -4.012 1.00 1.76 C ATOM 194 O ASN A 233 -10.434 -7.788 -4.157 1.00 2.31 O ATOM 195 CB ASN A 233 -8.056 -7.313 -5.599 1.00 2.67 C ATOM 196 CG ASN A 233 -8.702 -6.791 -6.870 1.00 3.38 C ATOM 197 OD1 ASN A 233 -8.128 -5.956 -7.568 1.00 3.96 O ATOM 198 ND2 ASN A 233 -9.895 -7.275 -7.178 1.00 3.82 N ATOM 0 H ASN A 233 -7.023 -6.055 -2.869 1.00 1.58 H new ATOM 0 HA ASN A 233 -8.261 -5.432 -4.609 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -6.973 -7.311 -5.719 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -8.357 -8.348 -5.441 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -10.372 -6.956 -8.021 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -10.337 -7.967 -6.572 1.00 3.82 H new ATOM 205 N LEU A 234 -10.570 -5.630 -3.556 1.00 1.61 N ATOM 206 CA LEU A 234 -11.850 -5.782 -2.925 1.00 1.90 C ATOM 207 C LEU A 234 -12.973 -5.458 -3.883 1.00 1.69 C ATOM 208 O LEU A 234 -13.560 -6.335 -4.516 1.00 1.91 O ATOM 209 CB LEU A 234 -11.889 -4.858 -1.699 1.00 2.77 C ATOM 210 CG LEU A 234 -13.265 -4.603 -1.065 1.00 3.77 C ATOM 211 CD1 LEU A 234 -14.038 -5.893 -0.892 1.00 4.30 C ATOM 212 CD2 LEU A 234 -13.109 -3.888 0.269 1.00 4.49 C ATOM 0 H LEU A 234 -10.236 -4.668 -3.618 1.00 1.61 H new ATOM 0 HA LEU A 234 -11.989 -6.818 -2.616 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -11.236 -5.280 -0.935 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -11.464 -3.896 -1.985 1.00 2.77 H new ATOM 0 HG LEU A 234 -13.834 -3.963 -1.740 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -15.007 -5.679 -0.441 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -14.186 -6.362 -1.865 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -13.478 -6.569 -0.245 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -14.092 -3.714 0.706 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -12.515 -4.504 0.945 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -12.607 -2.933 0.113 1.00 4.49 H new ATOM 224 N GLN A 235 -13.243 -4.186 -3.988 1.00 1.58 N ATOM 225 CA GLN A 235 -14.416 -3.706 -4.659 1.00 1.78 C ATOM 226 C GLN A 235 -14.058 -3.192 -6.035 1.00 1.59 C ATOM 227 O GLN A 235 -14.418 -3.778 -7.056 1.00 1.97 O ATOM 228 CB GLN A 235 -14.997 -2.613 -3.792 1.00 2.17 C ATOM 229 CG GLN A 235 -16.427 -2.236 -4.144 1.00 2.56 C ATOM 230 CD GLN A 235 -17.325 -3.448 -4.289 1.00 3.18 C ATOM 231 OE1 GLN A 235 -17.484 -3.984 -5.384 1.00 3.71 O ATOM 232 NE2 GLN A 235 -17.900 -3.901 -3.190 1.00 3.72 N ATOM 0 H GLN A 235 -12.650 -3.449 -3.607 1.00 1.58 H new ATOM 0 HA GLN A 235 -15.148 -4.501 -4.802 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -14.963 -2.933 -2.751 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -14.368 -1.726 -3.874 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -16.828 -1.581 -3.371 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -16.432 -1.670 -5.076 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -17.743 -3.428 -2.300 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -18.501 -4.724 -3.231 1.00 3.72 H new ATOM 241 N ASN A 236 -13.327 -2.100 -6.040 1.00 1.40 N ATOM 242 CA ASN A 236 -12.785 -1.556 -7.272 1.00 1.65 C ATOM 243 C ASN A 236 -11.505 -2.323 -7.567 1.00 1.69 C ATOM 244 O ASN A 236 -11.217 -2.693 -8.704 1.00 2.36 O ATOM 245 CB ASN A 236 -12.535 -0.047 -7.115 1.00 2.09 C ATOM 246 CG ASN A 236 -11.981 0.606 -8.367 1.00 2.95 C ATOM 247 OD1 ASN A 236 -12.274 0.188 -9.487 1.00 3.67 O ATOM 248 ND2 ASN A 236 -11.187 1.649 -8.184 1.00 3.34 N ATOM 0 H ASN A 236 -13.092 -1.567 -5.203 1.00 1.40 H new ATOM 0 HA ASN A 236 -13.479 -1.669 -8.105 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -13.470 0.442 -6.843 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -11.839 0.115 -6.292 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -10.794 2.138 -8.988 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -10.969 1.964 -7.239 1.00 3.34 H new ATOM 255 N GLY A 237 -10.747 -2.547 -6.504 1.00 1.32 N ATOM 256 CA GLY A 237 -9.744 -3.569 -6.471 1.00 1.67 C ATOM 257 C GLY A 237 -8.525 -3.086 -5.739 1.00 1.38 C ATOM 258 O GLY A 237 -8.315 -3.431 -4.577 1.00 1.70 O ATOM 0 H GLY A 237 -10.821 -2.013 -5.638 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.140 -4.459 -5.983 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -9.475 -3.856 -7.488 1.00 1.67 H new ATOM 262 N PRO A 238 -7.735 -2.239 -6.383 1.00 0.90 N ATOM 263 CA PRO A 238 -6.483 -1.741 -5.870 1.00 0.65 C ATOM 264 C PRO A 238 -6.629 -0.369 -5.268 1.00 0.50 C ATOM 265 O PRO A 238 -7.620 0.325 -5.488 1.00 0.76 O ATOM 266 CB PRO A 238 -5.628 -1.656 -7.141 1.00 0.65 C ATOM 267 CG PRO A 238 -6.593 -1.907 -8.270 1.00 0.96 C ATOM 268 CD PRO A 238 -7.952 -1.695 -7.706 1.00 0.88 C ATOM 0 HA PRO A 238 -6.071 -2.368 -5.079 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.155 -0.679 -7.235 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -4.829 -2.397 -7.131 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.406 -1.227 -9.101 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.485 -2.920 -8.657 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -8.241 -0.644 -7.687 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.725 -2.228 -8.259 1.00 0.88 H new ATOM 276 N PHE A 239 -5.646 0.016 -4.509 1.00 0.37 N ATOM 277 CA PHE A 239 -5.596 1.355 -3.988 1.00 0.28 C ATOM 278 C PHE A 239 -4.226 1.921 -4.218 1.00 0.27 C ATOM 279 O PHE A 239 -3.334 1.238 -4.706 1.00 0.51 O ATOM 280 CB PHE A 239 -5.988 1.412 -2.493 1.00 0.34 C ATOM 281 CG PHE A 239 -5.665 0.152 -1.761 1.00 0.41 C ATOM 282 CD1 PHE A 239 -6.489 -0.937 -1.901 1.00 0.90 C ATOM 283 CD2 PHE A 239 -4.553 0.051 -0.952 1.00 0.35 C ATOM 284 CE1 PHE A 239 -6.215 -2.118 -1.253 1.00 1.09 C ATOM 285 CE2 PHE A 239 -4.272 -1.124 -0.297 1.00 0.35 C ATOM 286 CZ PHE A 239 -5.102 -2.210 -0.449 1.00 0.73 C ATOM 0 H PHE A 239 -4.864 -0.579 -4.235 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.330 1.962 -4.518 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.470 2.245 -2.018 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.056 1.611 -2.410 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -7.365 -0.865 -2.529 1.00 0.90 H new ATOM 0 HD2 PHE A 239 -3.898 0.901 -0.832 1.00 0.35 H new ATOM 0 HE1 PHE A 239 -6.869 -2.969 -1.374 1.00 1.09 H new ATOM 0 HE2 PHE A 239 -3.400 -1.195 0.337 1.00 0.35 H new ATOM 0 HZ PHE A 239 -4.880 -3.135 0.063 1.00 0.73 H new ATOM 296 N TYR A 240 -4.080 3.165 -3.885 1.00 0.16 N ATOM 297 CA TYR A 240 -2.833 3.858 -4.046 1.00 0.21 C ATOM 298 C TYR A 240 -2.489 4.441 -2.713 1.00 0.21 C ATOM 299 O TYR A 240 -3.345 4.994 -2.068 1.00 0.36 O ATOM 300 CB TYR A 240 -2.963 4.969 -5.091 1.00 0.25 C ATOM 301 CG TYR A 240 -3.499 4.490 -6.419 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.816 3.530 -7.148 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.683 4.995 -6.941 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.292 3.082 -8.363 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.169 4.551 -8.157 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.469 3.594 -8.863 1.00 0.45 C ATOM 307 OH TYR A 240 -4.947 3.150 -10.075 1.00 0.59 O ATOM 0 H TYR A 240 -4.827 3.736 -3.490 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.055 3.177 -4.391 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.621 5.747 -4.702 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.986 5.426 -5.247 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -1.894 3.125 -6.758 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -5.231 5.745 -6.390 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -2.745 2.335 -8.919 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -6.091 4.951 -8.552 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.787 3.610 -10.284 1.00 0.59 H new ATOM 317 N ALA A 241 -1.281 4.289 -2.264 1.00 0.17 N ATOM 318 CA ALA A 241 -0.922 4.867 -0.992 1.00 0.19 C ATOM 319 C ALA A 241 0.307 5.726 -1.147 1.00 0.15 C ATOM 320 O ALA A 241 1.317 5.291 -1.705 1.00 0.19 O ATOM 321 CB ALA A 241 -0.706 3.796 0.057 1.00 0.35 C ATOM 0 H ALA A 241 -0.536 3.782 -2.742 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.747 5.493 -0.652 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.437 4.263 1.004 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.623 3.221 0.184 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.098 3.132 -0.261 1.00 0.35 H new ATOM 327 N ARG A 242 0.211 6.944 -0.667 1.00 0.16 N ATOM 328 CA ARG A 242 1.312 7.867 -0.729 1.00 0.16 C ATOM 329 C ARG A 242 2.311 7.503 0.334 1.00 0.14 C ATOM 330 O ARG A 242 2.047 7.649 1.528 1.00 0.23 O ATOM 331 CB ARG A 242 0.837 9.306 -0.502 1.00 0.29 C ATOM 332 CG ARG A 242 1.965 10.328 -0.504 1.00 0.33 C ATOM 333 CD ARG A 242 2.360 10.722 -1.919 1.00 0.79 C ATOM 334 NE ARG A 242 1.243 11.328 -2.649 1.00 1.19 N ATOM 335 CZ ARG A 242 1.351 11.885 -3.856 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.518 11.889 -4.495 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.285 12.434 -4.428 1.00 2.05 N ATOM 0 H ARG A 242 -0.629 7.318 -0.226 1.00 0.16 H new ATOM 0 HA ARG A 242 1.765 7.806 -1.719 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.118 9.569 -1.278 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.311 9.360 0.451 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.654 11.215 0.048 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.831 9.917 0.015 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.193 11.424 -1.881 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.710 9.841 -2.457 1.00 0.79 H new ATOM 0 HE ARG A 242 0.324 11.323 -2.206 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.338 11.464 -4.062 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.593 12.317 -5.418 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.613 12.429 -3.944 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.364 12.861 -5.351 1.00 2.05 H new ATOM 351 N VAL A 243 3.437 6.987 -0.096 1.00 0.10 N ATOM 352 CA VAL A 243 4.512 6.727 0.812 1.00 0.14 C ATOM 353 C VAL A 243 5.098 8.049 1.250 1.00 0.11 C ATOM 354 O VAL A 243 5.748 8.749 0.471 1.00 0.15 O ATOM 355 CB VAL A 243 5.604 5.827 0.188 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.819 6.147 -1.277 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.908 5.967 0.947 1.00 0.32 C ATOM 0 H VAL A 243 3.626 6.742 -1.068 1.00 0.10 H new ATOM 0 HA VAL A 243 4.119 6.182 1.670 1.00 0.14 H new ATOM 0 HB VAL A 243 5.259 4.796 0.261 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.593 5.495 -1.682 1.00 0.23 H new ATOM 0 HG12 VAL A 243 4.889 5.990 -1.824 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.129 7.187 -1.381 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.664 5.326 0.493 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.241 7.004 0.909 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.758 5.672 1.985 1.00 0.32 H new ATOM 367 N ILE A 244 4.829 8.417 2.482 1.00 0.13 N ATOM 368 CA ILE A 244 5.367 9.646 2.995 1.00 0.15 C ATOM 369 C ILE A 244 6.680 9.389 3.707 1.00 0.14 C ATOM 370 O ILE A 244 7.421 10.321 3.985 1.00 0.20 O ATOM 371 CB ILE A 244 4.385 10.377 3.926 1.00 0.25 C ATOM 372 CG1 ILE A 244 3.926 9.459 5.057 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.196 10.888 3.128 1.00 0.32 C ATOM 374 CD1 ILE A 244 2.920 10.106 5.975 1.00 0.76 C ATOM 0 H ILE A 244 4.250 7.889 3.135 1.00 0.13 H new ATOM 0 HA ILE A 244 5.542 10.300 2.141 1.00 0.15 H new ATOM 0 HB ILE A 244 4.896 11.229 4.374 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.490 8.556 4.629 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.794 9.149 5.640 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.505 11.404 3.795 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.543 11.579 2.360 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.686 10.048 2.657 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.635 9.402 6.756 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.360 10.994 6.430 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.037 10.391 5.404 1.00 0.76 H new ATOM 386 N GLN A 245 6.947 8.117 4.015 1.00 0.12 N ATOM 387 CA GLN A 245 8.241 7.694 4.543 1.00 0.14 C ATOM 388 C GLN A 245 8.530 6.240 4.234 1.00 0.14 C ATOM 389 O GLN A 245 7.860 5.338 4.729 1.00 0.17 O ATOM 390 CB GLN A 245 8.329 7.912 6.044 1.00 0.21 C ATOM 391 CG GLN A 245 8.492 9.364 6.407 1.00 0.33 C ATOM 392 CD GLN A 245 8.593 9.575 7.904 1.00 0.54 C ATOM 393 OE1 GLN A 245 9.682 9.523 8.475 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.462 9.817 8.551 1.00 1.06 N ATOM 0 H GLN A 245 6.275 7.358 3.905 1.00 0.12 H new ATOM 0 HA GLN A 245 8.989 8.313 4.047 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.429 7.521 6.518 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.171 7.345 6.442 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.387 9.758 5.926 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.645 9.930 6.019 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.580 9.852 8.040 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.474 9.968 9.560 1.00 1.06 H new ATOM 403 N LYS A 246 9.488 6.028 3.359 1.00 0.15 N ATOM 404 CA LYS A 246 10.056 4.714 3.152 1.00 0.16 C ATOM 405 C LYS A 246 11.568 4.820 3.094 1.00 0.22 C ATOM 406 O LYS A 246 12.122 5.916 2.966 1.00 0.29 O ATOM 407 CB LYS A 246 9.533 4.058 1.874 1.00 0.18 C ATOM 408 CG LYS A 246 8.748 2.769 2.106 1.00 0.20 C ATOM 409 CD LYS A 246 7.243 3.020 2.112 1.00 0.29 C ATOM 410 CE LYS A 246 6.454 1.729 2.044 1.00 0.28 C ATOM 411 NZ LYS A 246 5.051 1.958 1.603 1.00 0.36 N ATOM 0 H LYS A 246 9.894 6.758 2.773 1.00 0.15 H new ATOM 0 HA LYS A 246 9.756 4.085 3.990 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.895 4.769 1.349 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.377 3.843 1.218 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.994 2.048 1.327 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.047 2.326 3.056 1.00 0.20 H new ATOM 0 HD2 LYS A 246 6.970 3.565 3.015 1.00 0.29 H new ATOM 0 HD3 LYS A 246 6.977 3.653 1.265 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.943 1.041 1.355 1.00 0.28 H new ATOM 0 HE3 LYS A 246 6.453 1.252 3.024 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.397 1.557 2.305 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 4.878 2.979 1.512 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 4.897 1.498 0.683 1.00 0.36 H new ATOM 425 N ARG A 247 12.212 3.681 3.199 1.00 0.27 N ATOM 426 CA ARG A 247 13.637 3.566 2.970 1.00 0.37 C ATOM 427 C ARG A 247 13.782 3.113 1.538 1.00 0.27 C ATOM 428 O ARG A 247 12.768 2.813 0.917 1.00 0.21 O ATOM 429 CB ARG A 247 14.278 2.555 3.929 1.00 0.55 C ATOM 430 CG ARG A 247 13.928 1.108 3.623 1.00 0.69 C ATOM 431 CD ARG A 247 14.402 0.172 4.716 1.00 0.72 C ATOM 432 NE ARG A 247 15.491 -0.683 4.258 1.00 1.24 N ATOM 433 CZ ARG A 247 15.445 -2.010 4.269 1.00 1.29 C ATOM 434 NH1 ARG A 247 14.358 -2.634 4.707 1.00 1.33 N ATOM 435 NH2 ARG A 247 16.483 -2.713 3.833 1.00 2.10 N ATOM 0 H ARG A 247 11.760 2.801 3.447 1.00 0.27 H new ATOM 0 HA ARG A 247 14.144 4.514 3.149 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.361 2.672 3.894 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.966 2.787 4.947 1.00 0.55 H new ATOM 0 HG2 ARG A 247 12.849 1.012 3.505 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.379 0.817 2.674 1.00 0.69 H new ATOM 0 HD2 ARG A 247 14.733 0.754 5.576 1.00 0.72 H new ATOM 0 HD3 ARG A 247 13.570 -0.447 5.052 1.00 0.72 H new ATOM 0 HE ARG A 247 16.338 -0.235 3.909 1.00 1.24 H new ATOM 0 HH11 ARG A 247 13.557 -2.094 5.035 1.00 1.33 H new ATOM 0 HH12 ARG A 247 14.324 -3.653 4.715 1.00 1.33 H new ATOM 0 HH21 ARG A 247 17.315 -2.234 3.490 1.00 2.10 H new ATOM 0 HH22 ARG A 247 16.448 -3.732 3.841 1.00 2.10 H new ATOM 449 N VAL A 248 14.976 3.125 0.977 1.00 0.32 N ATOM 450 CA VAL A 248 15.147 2.577 -0.358 1.00 0.31 C ATOM 451 C VAL A 248 15.670 1.122 -0.279 1.00 0.26 C ATOM 452 O VAL A 248 16.872 0.855 -0.222 1.00 0.30 O ATOM 453 CB VAL A 248 16.052 3.497 -1.222 1.00 0.45 C ATOM 454 CG1 VAL A 248 17.473 3.595 -0.681 1.00 1.12 C ATOM 455 CG2 VAL A 248 16.038 3.061 -2.677 1.00 1.18 C ATOM 0 H VAL A 248 15.822 3.497 1.409 1.00 0.32 H new ATOM 0 HA VAL A 248 14.178 2.541 -0.857 1.00 0.31 H new ATOM 0 HB VAL A 248 15.632 4.501 -1.165 1.00 0.45 H new ATOM 0 HG11 VAL A 248 18.062 4.250 -1.323 1.00 1.12 H new ATOM 0 HG12 VAL A 248 17.450 4.002 0.330 1.00 1.12 H new ATOM 0 HG13 VAL A 248 17.925 2.603 -0.663 1.00 1.12 H new ATOM 0 HG21 VAL A 248 16.679 3.721 -3.261 1.00 1.18 H new ATOM 0 HG22 VAL A 248 16.405 2.038 -2.754 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.019 3.111 -3.062 1.00 1.18 H new ATOM 465 N PRO A 249 14.729 0.161 -0.212 1.00 0.20 N ATOM 466 CA PRO A 249 14.984 -1.262 -0.110 1.00 0.20 C ATOM 467 C PRO A 249 14.774 -1.997 -1.424 1.00 0.27 C ATOM 468 O PRO A 249 14.338 -1.417 -2.408 1.00 0.34 O ATOM 469 CB PRO A 249 13.931 -1.696 0.912 1.00 0.21 C ATOM 470 CG PRO A 249 12.874 -0.625 0.883 1.00 0.23 C ATOM 471 CD PRO A 249 13.297 0.372 -0.165 1.00 0.22 C ATOM 0 HA PRO A 249 16.015 -1.483 0.165 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.511 -2.668 0.654 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.366 -1.791 1.907 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.899 -1.050 0.642 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.781 -0.146 1.858 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.823 0.179 -1.128 1.00 0.22 H new ATOM 0 HD3 PRO A 249 13.043 1.394 0.116 1.00 0.22 H new ATOM 479 N ASN A 250 15.122 -3.269 -1.449 1.00 0.31 N ATOM 480 CA ASN A 250 14.809 -4.092 -2.592 1.00 0.39 C ATOM 481 C ASN A 250 14.053 -5.335 -2.164 1.00 0.36 C ATOM 482 O ASN A 250 13.879 -5.598 -0.977 1.00 0.35 O ATOM 483 CB ASN A 250 16.074 -4.465 -3.358 1.00 0.51 C ATOM 484 CG ASN A 250 16.839 -5.612 -2.735 1.00 1.13 C ATOM 485 OD1 ASN A 250 16.683 -6.759 -3.137 1.00 1.97 O ATOM 486 ND2 ASN A 250 17.664 -5.318 -1.749 1.00 1.56 N ATOM 0 H ASN A 250 15.617 -3.748 -0.697 1.00 0.31 H new ATOM 0 HA ASN A 250 14.169 -3.515 -3.260 1.00 0.39 H new ATOM 0 HB2 ASN A 250 15.805 -4.730 -4.381 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.725 -3.593 -3.416 1.00 0.51 H new ATOM 0 HD21 ASN A 250 18.199 -6.058 -1.294 1.00 1.56 H new ATOM 0 HD22 ASN A 250 17.767 -4.351 -1.442 1.00 1.56 H new ATOM 493 N ALA A 251 13.640 -6.096 -3.151 1.00 0.43 N ATOM 494 CA ALA A 251 12.781 -7.260 -2.949 1.00 0.48 C ATOM 495 C ALA A 251 13.478 -8.408 -2.214 1.00 0.53 C ATOM 496 O ALA A 251 12.817 -9.326 -1.732 1.00 0.60 O ATOM 497 CB ALA A 251 12.238 -7.743 -4.285 1.00 0.59 C ATOM 0 H ALA A 251 13.887 -5.931 -4.127 1.00 0.43 H new ATOM 0 HA ALA A 251 11.961 -6.937 -2.308 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.599 -8.611 -4.125 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.659 -6.946 -4.752 1.00 0.59 H new ATOM 0 HB3 ALA A 251 13.067 -8.018 -4.937 1.00 0.59 H new ATOM 503 N TYR A 252 14.802 -8.369 -2.127 1.00 0.54 N ATOM 504 CA TYR A 252 15.538 -9.390 -1.395 1.00 0.65 C ATOM 505 C TYR A 252 15.442 -9.106 0.098 1.00 0.60 C ATOM 506 O TYR A 252 15.668 -9.980 0.933 1.00 0.69 O ATOM 507 CB TYR A 252 17.001 -9.433 -1.846 1.00 0.77 C ATOM 508 CG TYR A 252 17.771 -10.627 -1.328 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.525 -11.899 -1.826 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.746 -10.484 -0.346 1.00 2.46 C ATOM 511 CE1 TYR A 252 18.225 -12.995 -1.365 1.00 2.83 C ATOM 512 CE2 TYR A 252 19.453 -11.577 0.119 1.00 3.46 C ATOM 513 CZ TYR A 252 19.187 -12.829 -0.394 1.00 3.61 C ATOM 514 OH TYR A 252 19.890 -13.923 0.057 1.00 4.61 O ATOM 0 H TYR A 252 15.384 -7.647 -2.551 1.00 0.54 H new ATOM 0 HA TYR A 252 15.099 -10.366 -1.603 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.034 -9.437 -2.935 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.499 -8.522 -1.515 1.00 0.77 H new ATOM 0 HD1 TYR A 252 16.772 -12.033 -2.588 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.954 -9.505 0.059 1.00 2.46 H new ATOM 0 HE1 TYR A 252 18.020 -13.978 -1.764 1.00 2.83 H new ATOM 0 HE2 TYR A 252 20.209 -11.451 0.880 1.00 3.46 H new ATOM 0 HH TYR A 252 20.533 -13.640 0.741 1.00 4.61 H new ATOM 524 N ASP A 253 15.096 -7.867 0.414 1.00 0.50 N ATOM 525 CA ASP A 253 14.850 -7.457 1.781 1.00 0.51 C ATOM 526 C ASP A 253 13.461 -7.886 2.178 1.00 0.48 C ATOM 527 O ASP A 253 12.518 -7.104 2.077 1.00 0.43 O ATOM 528 CB ASP A 253 14.950 -5.947 1.891 1.00 0.49 C ATOM 529 CG ASP A 253 14.961 -5.452 3.321 1.00 0.79 C ATOM 530 OD1 ASP A 253 16.052 -5.417 3.932 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.896 -5.074 3.839 1.00 1.32 O ATOM 0 H ASP A 253 14.979 -7.121 -0.272 1.00 0.50 H new ATOM 0 HA ASP A 253 15.589 -7.918 2.436 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.859 -5.612 1.391 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.110 -5.494 1.363 1.00 0.49 H new ATOM 536 N LYS A 254 13.340 -9.128 2.626 1.00 0.55 N ATOM 537 CA LYS A 254 12.046 -9.752 2.801 1.00 0.55 C ATOM 538 C LYS A 254 11.345 -9.727 1.455 1.00 0.49 C ATOM 539 O LYS A 254 11.502 -10.650 0.657 1.00 0.54 O ATOM 540 CB LYS A 254 11.214 -9.070 3.906 1.00 0.57 C ATOM 541 CG LYS A 254 11.981 -8.847 5.206 1.00 0.73 C ATOM 542 CD LYS A 254 12.421 -7.396 5.342 1.00 1.32 C ATOM 543 CE LYS A 254 13.715 -7.256 6.131 1.00 1.62 C ATOM 544 NZ LYS A 254 13.564 -7.640 7.559 1.00 2.40 N ATOM 0 H LYS A 254 14.131 -9.722 2.875 1.00 0.55 H new ATOM 0 HA LYS A 254 12.170 -10.781 3.138 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.856 -8.109 3.537 1.00 0.57 H new ATOM 0 HB3 LYS A 254 10.335 -9.679 4.114 1.00 0.57 H new ATOM 0 HG2 LYS A 254 11.353 -9.121 6.054 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.854 -9.499 5.233 1.00 0.73 H new ATOM 0 HD2 LYS A 254 12.555 -6.965 4.350 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.634 -6.825 5.835 1.00 1.32 H new ATOM 0 HE2 LYS A 254 14.484 -7.877 5.672 1.00 1.62 H new ATOM 0 HE3 LYS A 254 14.061 -6.224 6.072 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 14.475 -7.525 8.048 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 12.851 -7.031 8.009 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.260 -8.633 7.621 1.00 2.40 H new ATOM 558 N THR A 255 10.591 -8.673 1.193 1.00 0.42 N ATOM 559 CA THR A 255 10.048 -8.445 -0.133 1.00 0.39 C ATOM 560 C THR A 255 10.090 -6.970 -0.534 1.00 0.31 C ATOM 561 O THR A 255 9.645 -6.622 -1.607 1.00 0.32 O ATOM 562 CB THR A 255 8.606 -8.983 -0.248 1.00 0.47 C ATOM 563 OG1 THR A 255 7.814 -8.523 0.861 1.00 0.49 O ATOM 564 CG2 THR A 255 8.587 -10.500 -0.286 1.00 0.60 C ATOM 0 H THR A 255 10.342 -7.963 1.881 1.00 0.42 H new ATOM 0 HA THR A 255 10.686 -8.995 -0.825 1.00 0.39 H new ATOM 0 HB THR A 255 8.184 -8.607 -1.180 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.901 -8.870 0.777 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.558 -10.849 -0.367 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.158 -10.850 -1.146 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.032 -10.892 0.628 1.00 0.60 H new ATOM 572 N ALA A 256 10.707 -6.157 0.310 1.00 0.26 N ATOM 573 CA ALA A 256 10.492 -4.698 0.381 1.00 0.21 C ATOM 574 C ALA A 256 10.290 -3.935 -0.940 1.00 0.17 C ATOM 575 O ALA A 256 10.999 -4.131 -1.929 1.00 0.21 O ATOM 576 CB ALA A 256 11.623 -4.075 1.168 1.00 0.23 C ATOM 0 H ALA A 256 11.392 -6.491 0.988 1.00 0.26 H new ATOM 0 HA ALA A 256 9.524 -4.596 0.871 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.475 -2.997 1.227 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.641 -4.494 2.174 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.570 -4.284 0.671 1.00 0.23 H new ATOM 582 N LEU A 257 9.302 -3.022 -0.893 1.00 0.14 N ATOM 583 CA LEU A 257 9.036 -2.047 -1.960 1.00 0.14 C ATOM 584 C LEU A 257 10.149 -1.012 -1.996 1.00 0.13 C ATOM 585 O LEU A 257 10.525 -0.485 -0.955 1.00 0.15 O ATOM 586 CB LEU A 257 7.737 -1.254 -1.701 1.00 0.15 C ATOM 587 CG LEU A 257 6.401 -1.988 -1.721 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.169 -2.630 -3.073 1.00 0.21 C ATOM 589 CD2 LEU A 257 6.314 -3.000 -0.599 1.00 0.21 C ATOM 0 H LEU A 257 8.661 -2.942 -0.104 1.00 0.14 H new ATOM 0 HA LEU A 257 8.960 -2.613 -2.888 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.834 -0.775 -0.727 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.685 -0.458 -2.444 1.00 0.15 H new ATOM 0 HG LEU A 257 5.607 -1.259 -1.556 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.211 -3.150 -3.069 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.162 -1.860 -3.845 1.00 0.21 H new ATOM 0 HD13 LEU A 257 6.967 -3.343 -3.279 1.00 0.21 H new ATOM 0 HD21 LEU A 257 5.350 -3.507 -0.640 1.00 0.21 H new ATOM 0 HD22 LEU A 257 7.114 -3.733 -0.707 1.00 0.21 H new ATOM 0 HD23 LEU A 257 6.416 -2.490 0.359 1.00 0.21 H new ATOM 601 N ALA A 258 10.633 -0.678 -3.176 1.00 0.14 N ATOM 602 CA ALA A 258 11.628 0.376 -3.307 1.00 0.16 C ATOM 603 C ALA A 258 10.969 1.699 -3.674 1.00 0.17 C ATOM 604 O ALA A 258 10.611 1.922 -4.832 1.00 0.24 O ATOM 605 CB ALA A 258 12.666 -0.008 -4.343 1.00 0.22 C ATOM 0 H ALA A 258 10.358 -1.116 -4.055 1.00 0.14 H new ATOM 0 HA ALA A 258 12.126 0.501 -2.345 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.404 0.789 -4.431 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.162 -0.929 -4.037 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.180 -0.160 -5.306 1.00 0.22 H new ATOM 611 N LEU A 259 10.782 2.564 -2.683 1.00 0.13 N ATOM 612 CA LEU A 259 10.183 3.875 -2.916 1.00 0.15 C ATOM 613 C LEU A 259 10.623 4.855 -1.840 1.00 0.15 C ATOM 614 O LEU A 259 11.161 4.455 -0.812 1.00 0.18 O ATOM 615 CB LEU A 259 8.643 3.810 -2.997 1.00 0.20 C ATOM 616 CG LEU A 259 7.986 2.485 -2.591 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.188 2.201 -1.117 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.501 2.516 -2.915 1.00 0.55 C ATOM 0 H LEU A 259 11.036 2.382 -1.712 1.00 0.13 H new ATOM 0 HA LEU A 259 10.538 4.226 -3.885 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.236 4.599 -2.365 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.346 4.037 -4.021 1.00 0.20 H new ATOM 0 HG LEU A 259 8.462 1.686 -3.159 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.711 1.255 -0.860 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.255 2.140 -0.901 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.744 3.003 -0.528 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.045 1.570 -2.623 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.027 3.332 -2.369 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.365 2.668 -3.986 1.00 0.55 H new ATOM 630 N GLU A 260 10.385 6.133 -2.078 1.00 0.18 N ATOM 631 CA GLU A 260 10.886 7.174 -1.219 1.00 0.24 C ATOM 632 C GLU A 260 9.729 8.066 -0.791 1.00 0.20 C ATOM 633 O GLU A 260 8.573 7.783 -1.092 1.00 0.21 O ATOM 634 CB GLU A 260 11.991 7.959 -1.952 1.00 0.39 C ATOM 635 CG GLU A 260 11.563 9.312 -2.518 1.00 0.52 C ATOM 636 CD GLU A 260 12.573 9.882 -3.493 1.00 0.96 C ATOM 637 OE1 GLU A 260 13.576 10.477 -3.046 1.00 1.74 O ATOM 638 OE2 GLU A 260 12.365 9.747 -4.713 1.00 1.27 O ATOM 0 H GLU A 260 9.840 6.470 -2.871 1.00 0.18 H new ATOM 0 HA GLU A 260 11.331 6.750 -0.319 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.820 8.118 -1.262 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.369 7.345 -2.769 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.601 9.204 -3.019 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.418 10.015 -1.698 1.00 0.52 H new ATOM 645 N VAL A 261 10.039 9.110 -0.070 1.00 0.33 N ATOM 646 CA VAL A 261 9.043 10.027 0.434 1.00 0.32 C ATOM 647 C VAL A 261 8.410 10.869 -0.672 1.00 0.22 C ATOM 648 O VAL A 261 9.102 11.563 -1.419 1.00 0.28 O ATOM 649 CB VAL A 261 9.700 10.911 1.480 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.757 11.994 1.959 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.165 10.004 2.586 1.00 0.93 C ATOM 0 H VAL A 261 10.996 9.353 0.188 1.00 0.33 H new ATOM 0 HA VAL A 261 8.229 9.453 0.876 1.00 0.32 H new ATOM 0 HB VAL A 261 10.553 11.448 1.065 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.258 12.609 2.707 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.461 12.618 1.116 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.871 11.536 2.400 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.646 10.596 3.364 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.310 9.476 3.008 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.877 9.281 2.188 1.00 0.93 H new ATOM 661 N GLY A 262 7.087 10.785 -0.777 1.00 0.17 N ATOM 662 CA GLY A 262 6.363 11.599 -1.721 1.00 0.20 C ATOM 663 C GLY A 262 5.873 10.797 -2.900 1.00 0.22 C ATOM 664 O GLY A 262 5.210 11.325 -3.794 1.00 0.31 O ATOM 0 H GLY A 262 6.505 10.161 -0.218 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.514 12.065 -1.221 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.007 12.405 -2.073 1.00 0.20 H new ATOM 668 N GLU A 263 6.175 9.510 -2.884 1.00 0.16 N ATOM 669 CA GLU A 263 5.889 8.638 -4.002 1.00 0.18 C ATOM 670 C GLU A 263 4.554 7.932 -3.805 1.00 0.15 C ATOM 671 O GLU A 263 3.857 8.175 -2.818 1.00 0.19 O ATOM 672 CB GLU A 263 7.022 7.632 -4.125 1.00 0.23 C ATOM 673 CG GLU A 263 8.389 8.284 -4.006 1.00 0.26 C ATOM 674 CD GLU A 263 8.744 9.107 -5.225 1.00 0.61 C ATOM 675 OE1 GLU A 263 8.415 10.310 -5.256 1.00 1.04 O ATOM 676 OE2 GLU A 263 9.347 8.550 -6.164 1.00 1.02 O ATOM 0 H GLU A 263 6.624 9.044 -2.096 1.00 0.16 H new ATOM 0 HA GLU A 263 5.815 9.222 -4.920 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.916 6.872 -3.350 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.948 7.121 -5.085 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.409 8.922 -3.122 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.145 7.513 -3.859 1.00 0.26 H new ATOM 683 N LEU A 264 4.199 7.049 -4.725 1.00 0.14 N ATOM 684 CA LEU A 264 2.922 6.360 -4.648 1.00 0.13 C ATOM 685 C LEU A 264 3.079 4.889 -4.978 1.00 0.15 C ATOM 686 O LEU A 264 3.919 4.500 -5.790 1.00 0.24 O ATOM 687 CB LEU A 264 1.918 7.013 -5.602 1.00 0.15 C ATOM 688 CG LEU A 264 0.456 6.619 -5.391 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.111 7.314 -4.163 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.367 6.948 -6.627 1.00 0.18 C ATOM 0 H LEU A 264 4.773 6.794 -5.529 1.00 0.14 H new ATOM 0 HA LEU A 264 2.549 6.440 -3.627 1.00 0.13 H new ATOM 0 HB2 LEU A 264 2.002 8.095 -5.504 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.199 6.762 -6.625 1.00 0.15 H new ATOM 0 HG LEU A 264 0.407 5.543 -5.226 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.152 7.022 -4.028 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.464 7.025 -3.283 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.051 8.394 -4.296 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.405 6.661 -6.460 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.314 8.018 -6.825 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.027 6.400 -7.483 1.00 0.18 H new ATOM 702 N VAL A 265 2.256 4.083 -4.342 1.00 0.14 N ATOM 703 CA VAL A 265 2.300 2.651 -4.510 1.00 0.15 C ATOM 704 C VAL A 265 0.894 2.170 -4.813 1.00 0.15 C ATOM 705 O VAL A 265 -0.074 2.880 -4.541 1.00 0.27 O ATOM 706 CB VAL A 265 2.815 1.963 -3.223 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.729 1.929 -2.173 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.307 0.559 -3.501 1.00 0.41 C ATOM 0 H VAL A 265 1.538 4.405 -3.694 1.00 0.14 H new ATOM 0 HA VAL A 265 2.980 2.400 -5.324 1.00 0.15 H new ATOM 0 HB VAL A 265 3.656 2.548 -2.852 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.107 1.442 -1.274 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.423 2.947 -1.933 1.00 0.40 H new ATOM 0 HG13 VAL A 265 0.872 1.373 -2.554 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.661 0.107 -2.574 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.491 -0.039 -3.908 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.124 0.596 -4.222 1.00 0.41 H new ATOM 718 N LYS A 266 0.775 0.988 -5.360 1.00 0.13 N ATOM 719 CA LYS A 266 -0.522 0.395 -5.553 1.00 0.15 C ATOM 720 C LYS A 266 -0.544 -0.903 -4.765 1.00 0.13 C ATOM 721 O LYS A 266 0.082 -1.895 -5.121 1.00 0.14 O ATOM 722 CB LYS A 266 -0.867 0.251 -7.063 1.00 0.24 C ATOM 723 CG LYS A 266 -0.363 -0.995 -7.792 1.00 0.85 C ATOM 724 CD LYS A 266 -1.292 -2.191 -7.617 1.00 0.49 C ATOM 725 CE LYS A 266 -1.787 -2.726 -8.954 1.00 0.82 C ATOM 726 NZ LYS A 266 -0.672 -3.158 -9.839 1.00 1.32 N ATOM 0 H LYS A 266 1.559 0.418 -5.679 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.318 1.036 -5.173 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -1.952 0.282 -7.164 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.473 1.125 -7.582 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -0.258 -0.773 -8.854 1.00 0.85 H new ATOM 0 HG3 LYS A 266 0.629 -1.253 -7.421 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -0.768 -2.982 -7.081 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -2.145 -1.901 -7.004 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -2.457 -3.568 -8.780 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -2.369 -1.955 -9.458 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -1.019 -3.872 -10.511 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -0.307 -2.337 -10.363 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 0.090 -3.568 -9.262 1.00 1.32 H new ATOM 740 N VAL A 267 -1.193 -0.854 -3.627 1.00 0.16 N ATOM 741 CA VAL A 267 -1.191 -1.970 -2.722 1.00 0.16 C ATOM 742 C VAL A 267 -2.241 -2.990 -3.166 1.00 0.17 C ATOM 743 O VAL A 267 -3.441 -2.726 -3.119 1.00 0.25 O ATOM 744 CB VAL A 267 -1.458 -1.514 -1.272 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.219 -2.640 -0.314 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.604 -0.318 -0.889 1.00 0.63 C ATOM 0 H VAL A 267 -1.731 -0.048 -3.308 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.205 -2.434 -2.744 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.503 -1.210 -1.216 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.412 -2.299 0.703 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.886 -3.468 -0.552 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.184 -2.973 -0.395 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -0.823 -0.029 0.139 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.450 -0.581 -0.975 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -0.826 0.516 -1.555 1.00 0.63 H new ATOM 756 N THR A 268 -1.769 -4.135 -3.632 1.00 0.15 N ATOM 757 CA THR A 268 -2.620 -5.210 -4.115 1.00 0.19 C ATOM 758 C THR A 268 -3.219 -5.997 -2.951 1.00 0.22 C ATOM 759 O THR A 268 -4.216 -6.707 -3.098 1.00 0.34 O ATOM 760 CB THR A 268 -1.790 -6.170 -4.996 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.604 -7.236 -5.500 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.621 -6.747 -4.202 1.00 0.29 C ATOM 0 H THR A 268 -0.773 -4.346 -3.686 1.00 0.15 H new ATOM 0 HA THR A 268 -3.430 -4.770 -4.696 1.00 0.19 H new ATOM 0 HB THR A 268 -1.402 -5.598 -5.839 1.00 0.24 H new ATOM 0 HG1 THR A 268 -2.058 -7.830 -6.056 1.00 0.32 H new ATOM 0 HG21 THR A 268 -0.047 -7.421 -4.838 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.022 -5.936 -3.859 1.00 0.29 H new ATOM 0 HG23 THR A 268 -1.002 -7.297 -3.341 1.00 0.29 H new ATOM 770 N LYS A 269 -2.620 -5.832 -1.787 1.00 0.18 N ATOM 771 CA LYS A 269 -2.910 -6.660 -0.643 1.00 0.20 C ATOM 772 C LYS A 269 -3.454 -5.767 0.452 1.00 0.22 C ATOM 773 O LYS A 269 -2.827 -4.786 0.780 1.00 0.35 O ATOM 774 CB LYS A 269 -1.595 -7.333 -0.216 1.00 0.23 C ATOM 775 CG LYS A 269 -1.724 -8.564 0.661 1.00 0.40 C ATOM 776 CD LYS A 269 -2.625 -8.353 1.861 1.00 1.55 C ATOM 777 CE LYS A 269 -1.925 -7.606 2.980 1.00 2.25 C ATOM 778 NZ LYS A 269 -1.118 -8.514 3.838 1.00 2.84 N ATOM 0 H LYS A 269 -1.916 -5.115 -1.613 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.649 -7.430 -0.863 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -1.045 -7.610 -1.115 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.990 -6.597 0.314 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -2.113 -9.388 0.063 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -0.734 -8.861 1.007 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -3.511 -7.797 1.554 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -2.967 -9.320 2.230 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -1.278 -6.839 2.554 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -2.666 -7.093 3.592 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -0.442 -7.954 4.396 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -1.748 -9.036 4.480 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -0.599 -9.187 3.239 1.00 2.84 H new ATOM 792 N ILE A 270 -4.612 -6.080 1.012 1.00 0.33 N ATOM 793 CA ILE A 270 -5.150 -5.228 2.060 1.00 0.39 C ATOM 794 C ILE A 270 -5.093 -5.907 3.416 1.00 0.55 C ATOM 795 O ILE A 270 -5.082 -7.132 3.510 1.00 0.73 O ATOM 796 CB ILE A 270 -6.594 -4.757 1.785 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.036 -5.137 0.369 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.684 -3.253 1.991 1.00 1.09 C ATOM 799 CD1 ILE A 270 -8.335 -4.492 -0.068 1.00 1.90 C ATOM 0 H ILE A 270 -5.182 -6.890 0.769 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.510 -4.345 2.067 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.266 -5.255 2.484 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -6.250 -4.857 -0.333 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.144 -6.220 0.312 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.703 -2.920 1.797 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.412 -3.009 3.018 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.001 -2.750 1.306 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -8.577 -4.812 -1.081 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.136 -4.791 0.609 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -8.228 -3.407 -0.046 1.00 1.90 H new ATOM 811 N ASN A 271 -5.038 -5.099 4.463 1.00 0.60 N ATOM 812 CA ASN A 271 -4.935 -5.598 5.816 1.00 0.82 C ATOM 813 C ASN A 271 -5.824 -4.832 6.765 1.00 0.70 C ATOM 814 O ASN A 271 -5.994 -3.623 6.637 1.00 0.87 O ATOM 815 CB ASN A 271 -3.498 -5.520 6.320 1.00 1.17 C ATOM 816 CG ASN A 271 -2.973 -6.891 6.632 1.00 1.58 C ATOM 817 OD1 ASN A 271 -2.157 -7.080 7.530 1.00 2.28 O ATOM 818 ND2 ASN A 271 -3.463 -7.850 5.882 1.00 1.88 N ATOM 0 H ASN A 271 -5.064 -4.082 4.394 1.00 0.60 H new ATOM 0 HA ASN A 271 -5.260 -6.638 5.789 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -2.868 -5.046 5.567 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.453 -4.896 7.212 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -3.168 -8.815 6.031 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -4.139 -7.630 5.150 1.00 1.88 H new ATOM 825 N MET A 272 -6.365 -5.561 7.722 1.00 0.81 N ATOM 826 CA MET A 272 -7.143 -4.981 8.802 1.00 0.97 C ATOM 827 C MET A 272 -6.286 -4.023 9.622 1.00 1.02 C ATOM 828 O MET A 272 -6.761 -3.000 10.107 1.00 1.22 O ATOM 829 CB MET A 272 -7.672 -6.104 9.697 1.00 1.24 C ATOM 830 CG MET A 272 -6.564 -6.851 10.428 1.00 1.30 C ATOM 831 SD MET A 272 -7.081 -8.473 11.023 1.00 2.03 S ATOM 832 CE MET A 272 -7.485 -9.291 9.482 1.00 2.52 C ATOM 0 H MET A 272 -6.278 -6.576 7.773 1.00 0.81 H new ATOM 0 HA MET A 272 -7.978 -4.421 8.382 1.00 0.97 H new ATOM 0 HB2 MET A 272 -8.364 -5.684 10.428 1.00 1.24 H new ATOM 0 HB3 MET A 272 -8.239 -6.809 9.090 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.711 -6.970 9.759 1.00 1.30 H new ATOM 0 HG3 MET A 272 -6.225 -6.251 11.273 1.00 1.30 H new ATOM 0 HE1 MET A 272 -7.338 -10.365 9.591 1.00 2.52 H new ATOM 0 HE2 MET A 272 -8.526 -9.091 9.226 1.00 2.52 H new ATOM 0 HE3 MET A 272 -6.838 -8.915 8.690 1.00 2.52 H new ATOM 842 N SER A 273 -5.012 -4.366 9.749 1.00 0.93 N ATOM 843 CA SER A 273 -4.090 -3.610 10.576 1.00 1.02 C ATOM 844 C SER A 273 -3.369 -2.556 9.752 1.00 0.91 C ATOM 845 O SER A 273 -2.665 -1.707 10.297 1.00 1.14 O ATOM 846 CB SER A 273 -3.072 -4.558 11.208 1.00 1.14 C ATOM 847 OG SER A 273 -3.667 -5.810 11.505 1.00 1.50 O ATOM 0 H SER A 273 -4.593 -5.171 9.284 1.00 0.93 H new ATOM 0 HA SER A 273 -4.657 -3.107 11.360 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.232 -4.702 10.529 1.00 1.14 H new ATOM 0 HB3 SER A 273 -2.673 -4.115 12.120 1.00 1.14 H new ATOM 0 HG SER A 273 -2.998 -6.403 11.907 1.00 1.50 H new ATOM 853 N GLY A 274 -3.535 -2.615 8.436 1.00 0.64 N ATOM 854 CA GLY A 274 -2.853 -1.672 7.586 1.00 0.61 C ATOM 855 C GLY A 274 -1.476 -2.155 7.196 1.00 0.49 C ATOM 856 O GLY A 274 -0.704 -1.423 6.586 1.00 0.57 O ATOM 0 H GLY A 274 -4.124 -3.293 7.951 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.445 -1.500 6.687 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.769 -0.715 8.100 1.00 0.61 H new ATOM 860 N GLN A 275 -1.156 -3.395 7.533 1.00 0.41 N ATOM 861 CA GLN A 275 0.159 -3.924 7.208 1.00 0.40 C ATOM 862 C GLN A 275 0.056 -4.725 5.927 1.00 0.32 C ATOM 863 O GLN A 275 -0.093 -5.946 5.946 1.00 0.41 O ATOM 864 CB GLN A 275 0.701 -4.788 8.347 1.00 0.56 C ATOM 865 CG GLN A 275 2.178 -5.125 8.205 1.00 0.69 C ATOM 866 CD GLN A 275 2.676 -6.044 9.303 1.00 0.76 C ATOM 867 OE1 GLN A 275 2.648 -7.265 9.164 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.138 -5.465 10.400 1.00 0.81 N ATOM 0 H GLN A 275 -1.775 -4.042 8.021 1.00 0.41 H new ATOM 0 HA GLN A 275 0.857 -3.099 7.069 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.545 -4.268 9.292 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.128 -5.714 8.394 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.347 -5.597 7.237 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.760 -4.203 8.217 1.00 0.69 H new ATOM 0 HE21 GLN A 275 3.144 -4.448 10.476 1.00 0.81 H new ATOM 0 HE22 GLN A 275 3.488 -6.036 11.169 1.00 0.81 H new ATOM 877 N TRP A 276 0.102 -4.029 4.811 1.00 0.22 N ATOM 878 CA TRP A 276 -0.175 -4.649 3.540 1.00 0.17 C ATOM 879 C TRP A 276 1.063 -4.842 2.702 1.00 0.15 C ATOM 880 O TRP A 276 2.168 -4.440 3.071 1.00 0.19 O ATOM 881 CB TRP A 276 -1.183 -3.829 2.750 1.00 0.18 C ATOM 882 CG TRP A 276 -1.241 -2.371 3.119 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.205 -1.479 3.113 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.403 -1.629 3.508 1.00 0.28 C ATOM 885 NE1 TRP A 276 -0.647 -0.239 3.500 1.00 0.31 N ATOM 886 CE2 TRP A 276 -1.993 -0.303 3.744 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.747 -1.957 3.684 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -2.881 0.690 4.150 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.627 -0.970 4.085 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.191 0.340 4.313 1.00 0.47 C ATOM 0 H TRP A 276 0.328 -3.036 4.761 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.585 -5.633 3.766 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.945 -3.911 1.689 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.173 -4.264 2.890 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.813 -1.716 2.843 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.067 0.595 3.591 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.094 -2.965 3.510 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -2.546 1.701 4.330 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.670 -1.214 4.225 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -4.904 1.089 4.624 1.00 0.47 H new ATOM 901 N GLU A 277 0.838 -5.437 1.546 1.00 0.12 N ATOM 902 CA GLU A 277 1.879 -5.705 0.598 1.00 0.12 C ATOM 903 C GLU A 277 1.725 -4.748 -0.553 1.00 0.11 C ATOM 904 O GLU A 277 0.661 -4.678 -1.143 1.00 0.12 O ATOM 905 CB GLU A 277 1.770 -7.124 0.058 1.00 0.14 C ATOM 906 CG GLU A 277 2.314 -8.224 0.962 1.00 0.19 C ATOM 907 CD GLU A 277 1.503 -8.492 2.205 1.00 1.21 C ATOM 908 OE1 GLU A 277 1.719 -7.826 3.235 1.00 2.07 O ATOM 909 OE2 GLU A 277 0.667 -9.409 2.172 1.00 1.55 O ATOM 0 H GLU A 277 -0.086 -5.747 1.245 1.00 0.12 H new ATOM 0 HA GLU A 277 2.845 -5.588 1.090 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.720 -7.335 -0.147 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.296 -7.171 -0.895 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.381 -9.146 0.385 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.329 -7.959 1.259 1.00 0.19 H new ATOM 916 N GLY A 278 2.774 -4.051 -0.900 1.00 0.13 N ATOM 917 CA GLY A 278 2.660 -3.065 -1.942 1.00 0.12 C ATOM 918 C GLY A 278 3.107 -3.608 -3.254 1.00 0.12 C ATOM 919 O GLY A 278 3.718 -4.673 -3.328 1.00 0.15 O ATOM 0 H GLY A 278 3.701 -4.144 -0.486 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.625 -2.732 -2.018 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.258 -2.191 -1.685 1.00 0.12 H new ATOM 923 N GLU A 279 2.798 -2.874 -4.282 1.00 0.11 N ATOM 924 CA GLU A 279 3.325 -3.134 -5.583 1.00 0.14 C ATOM 925 C GLU A 279 3.536 -1.784 -6.239 1.00 0.17 C ATOM 926 O GLU A 279 2.590 -1.025 -6.427 1.00 0.20 O ATOM 927 CB GLU A 279 2.341 -3.997 -6.369 1.00 0.20 C ATOM 928 CG GLU A 279 2.913 -4.599 -7.630 1.00 0.31 C ATOM 929 CD GLU A 279 1.914 -5.495 -8.320 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.131 -4.983 -9.145 1.00 1.27 O ATOM 931 OE2 GLU A 279 1.896 -6.708 -8.026 1.00 2.07 O ATOM 0 H GLU A 279 2.168 -2.073 -4.238 1.00 0.11 H new ATOM 0 HA GLU A 279 4.267 -3.681 -5.544 1.00 0.14 H new ATOM 0 HB2 GLU A 279 1.986 -4.801 -5.725 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.473 -3.392 -6.630 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.218 -3.802 -8.309 1.00 0.31 H new ATOM 0 HG3 GLU A 279 3.809 -5.171 -7.387 1.00 0.31 H new ATOM 938 N CYS A 280 4.766 -1.466 -6.561 1.00 0.20 N ATOM 939 CA CYS A 280 5.078 -0.140 -7.045 1.00 0.27 C ATOM 940 C CYS A 280 5.988 -0.181 -8.241 1.00 0.29 C ATOM 941 O CYS A 280 7.202 -0.321 -8.099 1.00 0.33 O ATOM 942 CB CYS A 280 5.716 0.703 -5.935 1.00 0.39 C ATOM 943 SG CYS A 280 6.207 2.364 -6.458 1.00 0.51 S ATOM 0 H CYS A 280 5.563 -2.100 -6.498 1.00 0.20 H new ATOM 0 HA CYS A 280 4.139 0.320 -7.352 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.012 0.788 -5.108 1.00 0.39 H new ATOM 0 HB3 CYS A 280 6.593 0.179 -5.555 1.00 0.39 H new ATOM 0 HG CYS A 280 5.258 3.206 -6.175 1.00 0.51 H new ATOM 949 N ASN A 281 5.385 -0.084 -9.419 1.00 0.37 N ATOM 950 CA ASN A 281 6.131 0.100 -10.653 1.00 0.49 C ATOM 951 C ASN A 281 7.210 -0.965 -10.783 1.00 0.45 C ATOM 952 O ASN A 281 8.334 -0.700 -11.214 1.00 0.53 O ATOM 953 CB ASN A 281 6.716 1.517 -10.678 1.00 0.63 C ATOM 954 CG ASN A 281 5.621 2.572 -10.713 1.00 0.80 C ATOM 955 OD1 ASN A 281 5.264 3.082 -11.775 1.00 1.44 O ATOM 956 ND2 ASN A 281 5.048 2.881 -9.552 1.00 0.97 N ATOM 0 H ASN A 281 4.374 -0.130 -9.544 1.00 0.37 H new ATOM 0 HA ASN A 281 5.468 -0.012 -11.511 1.00 0.49 H new ATOM 0 HB2 ASN A 281 7.341 1.669 -9.798 1.00 0.63 H new ATOM 0 HB3 ASN A 281 7.360 1.630 -11.550 1.00 0.63 H new ATOM 0 HD21 ASN A 281 4.287 3.560 -9.523 1.00 0.97 H new ATOM 0 HD22 ASN A 281 5.369 2.439 -8.691 1.00 0.97 H new ATOM 963 N GLY A 282 6.843 -2.177 -10.391 1.00 0.37 N ATOM 964 CA GLY A 282 7.711 -3.313 -10.542 1.00 0.39 C ATOM 965 C GLY A 282 8.353 -3.757 -9.246 1.00 0.34 C ATOM 966 O GLY A 282 9.100 -4.735 -9.228 1.00 0.46 O ATOM 0 H GLY A 282 5.941 -2.389 -9.964 1.00 0.37 H new ATOM 0 HA2 GLY A 282 7.141 -4.143 -10.959 1.00 0.39 H new ATOM 0 HA3 GLY A 282 8.493 -3.070 -11.261 1.00 0.39 H new ATOM 970 N LYS A 283 8.089 -3.042 -8.163 1.00 0.25 N ATOM 971 CA LYS A 283 8.472 -3.521 -6.850 1.00 0.23 C ATOM 972 C LYS A 283 7.267 -4.101 -6.134 1.00 0.14 C ATOM 973 O LYS A 283 6.153 -3.615 -6.277 1.00 0.17 O ATOM 974 CB LYS A 283 9.116 -2.413 -6.007 1.00 0.33 C ATOM 975 CG LYS A 283 10.273 -1.744 -6.718 1.00 0.74 C ATOM 976 CD LYS A 283 9.988 -0.281 -6.991 1.00 0.61 C ATOM 977 CE LYS A 283 11.106 0.361 -7.791 1.00 1.28 C ATOM 978 NZ LYS A 283 11.226 -0.224 -9.154 1.00 1.93 N ATOM 0 H LYS A 283 7.616 -2.138 -8.169 1.00 0.25 H new ATOM 0 HA LYS A 283 9.218 -4.304 -6.985 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.363 -1.664 -5.760 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.467 -2.835 -5.065 1.00 0.33 H new ATOM 0 HG2 LYS A 283 11.174 -1.833 -6.111 1.00 0.74 H new ATOM 0 HG3 LYS A 283 10.470 -2.259 -7.658 1.00 0.74 H new ATOM 0 HD2 LYS A 283 9.049 -0.187 -7.536 1.00 0.61 H new ATOM 0 HD3 LYS A 283 9.863 0.249 -6.047 1.00 0.61 H new ATOM 0 HE2 LYS A 283 10.924 1.433 -7.872 1.00 1.28 H new ATOM 0 HE3 LYS A 283 12.049 0.237 -7.259 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 11.813 0.396 -9.747 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 11.668 -1.163 -9.091 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 10.280 -0.314 -9.577 1.00 1.93 H new ATOM 992 N ARG A 284 7.505 -5.153 -5.394 1.00 0.16 N ATOM 993 CA ARG A 284 6.502 -5.784 -4.566 1.00 0.12 C ATOM 994 C ARG A 284 7.016 -5.718 -3.142 1.00 0.13 C ATOM 995 O ARG A 284 8.104 -5.205 -2.941 1.00 0.20 O ATOM 996 CB ARG A 284 6.300 -7.229 -5.017 1.00 0.18 C ATOM 997 CG ARG A 284 5.314 -8.028 -4.183 1.00 0.21 C ATOM 998 CD ARG A 284 3.881 -7.604 -4.425 1.00 0.26 C ATOM 999 NE ARG A 284 2.948 -8.559 -3.835 1.00 0.41 N ATOM 1000 CZ ARG A 284 1.890 -9.057 -4.476 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.611 -8.664 -5.716 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.097 -9.939 -3.878 1.00 0.67 N ATOM 0 H ARG A 284 8.418 -5.606 -5.347 1.00 0.16 H new ATOM 0 HA ARG A 284 5.536 -5.284 -4.643 1.00 0.12 H new ATOM 0 HB2 ARG A 284 5.959 -7.227 -6.052 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.264 -7.738 -5.000 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.421 -9.088 -4.414 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.553 -7.907 -3.126 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.713 -6.615 -3.999 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.697 -7.525 -5.496 1.00 0.26 H new ATOM 0 HE ARG A 284 3.115 -8.863 -2.876 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.207 -7.979 -6.180 1.00 0.57 H new ATOM 0 HH12 ARG A 284 0.801 -9.048 -6.202 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.296 -10.239 -2.924 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.289 -10.316 -4.373 1.00 0.67 H new ATOM 1016 N GLY A 285 6.237 -6.130 -2.156 1.00 0.14 N ATOM 1017 CA GLY A 285 6.786 -6.258 -0.830 1.00 0.18 C ATOM 1018 C GLY A 285 5.736 -6.066 0.200 1.00 0.14 C ATOM 1019 O GLY A 285 4.572 -6.278 -0.077 1.00 0.15 O ATOM 0 H GLY A 285 5.251 -6.374 -2.249 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.239 -7.242 -0.714 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.579 -5.523 -0.688 1.00 0.18 H new ATOM 1023 N HIS A 286 6.129 -5.652 1.380 1.00 0.15 N ATOM 1024 CA HIS A 286 5.168 -5.369 2.418 1.00 0.13 C ATOM 1025 C HIS A 286 5.679 -4.293 3.337 1.00 0.15 C ATOM 1026 O HIS A 286 6.787 -4.366 3.866 1.00 0.20 O ATOM 1027 CB HIS A 286 4.798 -6.641 3.181 1.00 0.18 C ATOM 1028 CG HIS A 286 5.939 -7.321 3.867 1.00 0.26 C ATOM 1029 ND1 HIS A 286 7.058 -7.795 3.223 1.00 0.75 N ATOM 1030 CD2 HIS A 286 6.104 -7.619 5.157 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.860 -8.362 4.105 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.304 -8.265 5.289 1.00 0.52 N ATOM 0 H HIS A 286 7.103 -5.504 1.645 1.00 0.15 H new ATOM 0 HA HIS A 286 4.256 -4.995 1.952 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.042 -6.393 3.926 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.341 -7.344 2.485 1.00 0.18 H new ATOM 0 HD1 HIS A 286 7.240 -7.720 2.222 1.00 0.75 H new ATOM 0 HD2 HIS A 286 5.413 -7.391 5.956 1.00 0.67 H new ATOM 0 HE1 HIS A 286 8.811 -8.826 3.889 1.00 0.65 H new ATOM 1041 N PHE A 287 4.853 -3.283 3.495 1.00 0.14 N ATOM 1042 CA PHE A 287 5.214 -2.103 4.220 1.00 0.17 C ATOM 1043 C PHE A 287 3.964 -1.483 4.850 1.00 0.20 C ATOM 1044 O PHE A 287 3.051 -1.068 4.138 1.00 0.29 O ATOM 1045 CB PHE A 287 5.896 -1.120 3.274 1.00 0.20 C ATOM 1046 CG PHE A 287 7.395 -1.095 3.386 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.019 -0.678 4.550 1.00 0.26 C ATOM 1048 CD2 PHE A 287 8.180 -1.493 2.318 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.398 -0.654 4.644 1.00 0.32 C ATOM 1050 CE2 PHE A 287 9.556 -1.471 2.404 1.00 0.25 C ATOM 1051 CZ PHE A 287 10.168 -1.053 3.569 1.00 0.30 C ATOM 0 H PHE A 287 3.906 -3.265 3.118 1.00 0.14 H new ATOM 0 HA PHE A 287 5.910 -2.355 5.021 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.624 -1.371 2.249 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.512 -0.119 3.470 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.421 -0.368 5.394 1.00 0.26 H new ATOM 0 HD2 PHE A 287 7.709 -1.825 1.405 1.00 0.21 H new ATOM 0 HE1 PHE A 287 9.872 -0.324 5.556 1.00 0.32 H new ATOM 0 HE2 PHE A 287 10.155 -1.781 1.560 1.00 0.25 H new ATOM 0 HZ PHE A 287 11.246 -1.038 3.639 1.00 0.30 H new ATOM 1061 N PRO A 288 3.928 -1.403 6.194 1.00 0.22 N ATOM 1062 CA PRO A 288 2.714 -1.056 6.968 1.00 0.26 C ATOM 1063 C PRO A 288 2.127 0.334 6.684 1.00 0.24 C ATOM 1064 O PRO A 288 2.694 1.139 5.943 1.00 0.28 O ATOM 1065 CB PRO A 288 3.183 -1.129 8.425 1.00 0.33 C ATOM 1066 CG PRO A 288 4.419 -1.957 8.395 1.00 0.54 C ATOM 1067 CD PRO A 288 5.072 -1.665 7.081 1.00 0.32 C ATOM 0 HA PRO A 288 1.904 -1.735 6.703 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.384 -0.135 8.824 1.00 0.33 H new ATOM 0 HB3 PRO A 288 2.422 -1.580 9.062 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.079 -1.705 9.225 1.00 0.54 H new ATOM 0 HG3 PRO A 288 4.182 -3.017 8.487 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.739 -0.805 7.144 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.669 -2.507 6.731 1.00 0.32 H new ATOM 1075 N PHE A 289 0.976 0.590 7.310 1.00 0.31 N ATOM 1076 CA PHE A 289 0.226 1.842 7.170 1.00 0.37 C ATOM 1077 C PHE A 289 0.907 2.975 7.952 1.00 0.33 C ATOM 1078 O PHE A 289 0.505 4.134 7.885 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.199 1.618 7.705 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.259 2.538 7.148 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -1.897 3.589 6.319 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -3.601 2.369 7.451 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -2.849 4.446 5.804 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -4.557 3.225 6.938 1.00 1.12 C ATOM 1085 CZ PHE A 289 -4.245 4.201 6.129 1.00 0.50 C ATOM 0 H PHE A 289 0.531 -0.078 7.939 1.00 0.31 H new ATOM 0 HA PHE A 289 0.194 2.131 6.119 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.489 0.589 7.493 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.182 1.728 8.789 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -0.856 3.739 6.073 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -3.903 1.558 8.096 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -2.564 5.277 5.176 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -5.591 3.083 7.214 1.00 1.12 H new ATOM 0 HZ PHE A 289 -5.019 4.823 5.704 1.00 0.50 H new ATOM 1095 N THR A 290 1.970 2.623 8.659 1.00 0.33 N ATOM 1096 CA THR A 290 2.620 3.507 9.614 1.00 0.41 C ATOM 1097 C THR A 290 3.392 4.657 8.959 1.00 0.38 C ATOM 1098 O THR A 290 4.015 5.461 9.649 1.00 0.57 O ATOM 1099 CB THR A 290 3.591 2.680 10.463 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.331 1.798 9.602 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.846 1.869 11.512 1.00 0.61 C ATOM 0 H THR A 290 2.410 1.706 8.585 1.00 0.33 H new ATOM 0 HA THR A 290 1.833 3.959 10.218 1.00 0.41 H new ATOM 0 HB THR A 290 4.271 3.357 10.980 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.956 1.266 10.138 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.560 1.292 12.100 1.00 0.61 H new ATOM 0 HG22 THR A 290 2.295 2.542 12.169 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.149 1.191 11.020 1.00 0.61 H new ATOM 1109 N HIS A 291 3.342 4.747 7.637 1.00 0.25 N ATOM 1110 CA HIS A 291 4.149 5.724 6.909 1.00 0.26 C ATOM 1111 C HIS A 291 3.603 5.928 5.502 1.00 0.23 C ATOM 1112 O HIS A 291 4.331 6.330 4.589 1.00 0.26 O ATOM 1113 CB HIS A 291 5.627 5.283 6.860 1.00 0.35 C ATOM 1114 CG HIS A 291 5.838 3.843 6.472 1.00 0.40 C ATOM 1115 ND1 HIS A 291 7.048 3.200 6.572 1.00 1.01 N ATOM 1116 CD2 HIS A 291 4.972 2.918 5.998 1.00 1.26 C ATOM 1117 CE1 HIS A 291 6.917 1.950 6.181 1.00 0.72 C ATOM 1118 NE2 HIS A 291 5.663 1.747 5.827 1.00 0.88 N ATOM 0 H HIS A 291 2.754 4.159 7.046 1.00 0.25 H new ATOM 0 HA HIS A 291 4.094 6.675 7.439 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.159 5.918 6.152 1.00 0.35 H new ATOM 0 HB3 HIS A 291 6.076 5.452 7.839 1.00 0.35 H new ATOM 0 HD2 HIS A 291 3.924 3.074 5.791 1.00 1.26 H new ATOM 0 HE1 HIS A 291 7.706 1.213 6.154 1.00 0.72 H new ATOM 0 HE2 HIS A 291 5.274 0.869 5.484 1.00 0.88 H new ATOM 1127 N VAL A 292 2.323 5.635 5.333 1.00 0.21 N ATOM 1128 CA VAL A 292 1.654 5.823 4.057 1.00 0.21 C ATOM 1129 C VAL A 292 0.302 6.497 4.245 1.00 0.24 C ATOM 1130 O VAL A 292 -0.257 6.502 5.341 1.00 0.32 O ATOM 1131 CB VAL A 292 1.455 4.487 3.319 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.795 3.862 2.992 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.618 3.535 4.146 1.00 0.51 C ATOM 0 H VAL A 292 1.724 5.263 6.070 1.00 0.21 H new ATOM 0 HA VAL A 292 2.297 6.464 3.454 1.00 0.21 H new ATOM 0 HB VAL A 292 0.925 4.687 2.388 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.638 2.918 2.470 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.366 4.538 2.356 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.346 3.680 3.914 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.491 2.598 3.604 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.118 3.341 5.095 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.359 3.980 4.336 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.207 7.069 3.170 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.476 7.778 3.194 1.00 0.24 C ATOM 1145 C ARG A 293 -2.351 7.307 2.060 1.00 0.24 C ATOM 1146 O ARG A 293 -2.096 7.615 0.907 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.224 9.272 3.077 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.389 9.818 4.222 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.221 9.957 5.485 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.418 10.328 6.643 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.227 9.539 7.697 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.709 8.300 7.699 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.469 9.982 8.734 1.00 0.74 N ATOM 0 H ARG A 293 0.246 7.056 2.256 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.986 7.574 4.135 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.718 9.478 2.134 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.179 9.796 3.048 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.455 9.155 4.410 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.023 10.788 3.945 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.994 10.709 5.326 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.730 9.015 5.687 1.00 0.45 H new ATOM 0 HE ARG A 293 0.024 11.247 6.646 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.226 7.953 6.891 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.561 7.697 8.508 1.00 0.69 H new ATOM 0 HH21 ARG A 293 0.856 10.925 8.723 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.617 9.380 9.544 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.388 6.570 2.387 1.00 0.23 N ATOM 1168 CA LEU A 294 -4.111 5.833 1.376 1.00 0.26 C ATOM 1169 C LEU A 294 -5.107 6.670 0.607 1.00 0.27 C ATOM 1170 O LEU A 294 -5.887 7.456 1.145 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.781 4.612 1.981 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.270 3.587 0.980 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -4.081 2.986 0.286 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -6.095 2.512 1.667 1.00 1.31 C ATOM 0 H LEU A 294 -3.747 6.465 3.336 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.368 5.511 0.646 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -4.077 4.129 2.659 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.628 4.942 2.583 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.914 4.072 0.246 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -4.419 2.245 -0.439 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -3.525 3.770 -0.229 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.435 2.506 1.021 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.435 1.787 0.928 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.484 2.008 2.416 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.958 2.969 2.151 1.00 1.31 H new ATOM 1186 N LEU A 295 -5.023 6.443 -0.676 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.839 7.049 -1.696 1.00 0.31 C ATOM 1188 C LEU A 295 -6.973 6.123 -2.096 1.00 0.36 C ATOM 1189 O LEU A 295 -7.041 5.687 -3.247 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.998 7.336 -2.917 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.166 8.604 -2.887 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.993 8.482 -1.927 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.698 8.888 -4.288 1.00 0.39 C ATOM 0 H LEU A 295 -4.341 5.790 -1.062 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.253 7.974 -1.296 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -4.327 6.492 -3.074 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.659 7.383 -3.782 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.774 9.432 -2.523 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.420 9.409 -1.933 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.365 8.291 -0.920 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.352 7.658 -2.239 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.096 9.797 -4.293 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -3.097 8.053 -4.647 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.561 9.021 -4.940 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.772 5.767 -1.109 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.914 4.851 -1.257 1.00 0.66 C ATOM 1207 C ASP A 296 -9.517 4.854 -2.663 1.00 0.86 C ATOM 1208 O ASP A 296 -9.813 5.902 -3.240 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.997 5.144 -0.206 1.00 1.02 C ATOM 1210 CG ASP A 296 -10.198 6.623 0.070 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -9.498 7.183 0.936 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -11.055 7.243 -0.605 1.00 1.97 O ATOM 0 H ASP A 296 -7.652 6.108 -0.155 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.518 3.849 -1.091 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.941 4.715 -0.541 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -9.732 4.643 0.725 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.674 3.642 -3.181 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.059 3.382 -4.570 1.00 0.87 C ATOM 1219 C GLN A 297 -11.393 4.019 -4.962 1.00 1.60 C ATOM 1220 O GLN A 297 -11.367 5.075 -5.638 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.105 1.866 -4.801 1.00 1.01 C ATOM 1222 CG GLN A 297 -10.682 1.089 -3.624 1.00 2.20 C ATOM 1223 CD GLN A 297 -10.540 -0.414 -3.772 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -11.431 -1.090 -4.280 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -9.412 -0.947 -3.333 1.00 3.77 N ATOM 1226 OXT GLN A 297 -12.448 3.441 -4.635 1.00 2.17 O ATOM 0 H GLN A 297 -9.535 2.790 -2.637 1.00 0.62 H new ATOM 0 HA GLN A 297 -9.306 3.846 -5.207 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -10.702 1.660 -5.690 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -9.096 1.507 -5.004 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -10.183 1.406 -2.708 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -11.737 1.339 -3.515 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -8.695 -0.353 -2.917 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -9.259 -1.952 -3.411 1.00 3.77 H new TER 1235 GLN A 297