USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 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 290 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 291 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.2) USER MOD Set 2.1: A 236 ASN : amide:sc= 0.652 K(o=1.4,f=-0.94!) USER MOD Set 2.2: A 297 GLN : amide:sc= 0.744 K(o=1.4,f=-1.3) USER MOD Single : A 222 TYR OH : rot 80:sc= 0.859 USER MOD Single : A 224 GLN : amide:sc= -1.21 K(o=-1.2,f=-6.4!) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 228 ASN : amide:sc= 1.09 K(o=1.1,f=-0.41) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 233 ASN : amide:sc= -0.725 K(o=-0.73,f=-1.8) USER MOD Single : A 235 GLN : amide:sc= -1.02 K(o=-1,f=-0.2) 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+ -114:sc= -1.52 (180deg=-6.16!) USER MOD Single : A 250 ASN : amide:sc= 0.56 K(o=0.56,f=-9.1!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -132:sc= 0.638 (180deg=-0.198) USER MOD Single : A 255 THR OG1 : rot 180:sc= -1.14! USER MOD Single : A 266 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0357) USER MOD Single : A 268 THR OG1 : rot -20:sc= 0.23 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= -4.59 K(o=-4.6,f=-11!) USER MOD Single : A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 273 SER OG : rot 180:sc= -0.103 USER MOD Single : A 275 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 280 CYS SG : rot 37:sc= -4.7! USER MOD Single : A 281 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 283 LYS NZ :NH3+ -118:sc= 0.0322 (180deg=0.00126) USER MOD Single : A 286 HIS : no HD1:sc= -1.21 K(o=-1.2,f=0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -14.141 -2.691 7.515 1.00 6.89 N ATOM 2 CA GLY A 220 -13.931 -1.286 7.081 1.00 6.03 C ATOM 3 C GLY A 220 -15.058 -0.770 6.212 1.00 5.17 C ATOM 4 O GLY A 220 -16.015 -1.494 5.950 1.00 5.52 O ATOM 0 HA2 GLY A 220 -13.834 -0.649 7.960 1.00 6.03 H new ATOM 0 HA3 GLY A 220 -12.992 -1.216 6.532 1.00 6.03 H new ATOM 10 N PRO A 221 -14.976 0.491 5.762 1.00 4.25 N ATOM 11 CA PRO A 221 -15.993 1.095 4.900 1.00 3.64 C ATOM 12 C PRO A 221 -15.836 0.722 3.415 1.00 3.42 C ATOM 13 O PRO A 221 -16.835 0.497 2.731 1.00 3.65 O ATOM 14 CB PRO A 221 -15.783 2.590 5.128 1.00 3.01 C ATOM 15 CG PRO A 221 -14.345 2.739 5.477 1.00 3.25 C ATOM 16 CD PRO A 221 -13.905 1.444 6.107 1.00 4.10 C ATOM 0 HA PRO A 221 -16.997 0.747 5.143 1.00 3.64 H new ATOM 0 HB2 PRO A 221 -16.032 3.162 4.234 1.00 3.01 H new ATOM 0 HB3 PRO A 221 -16.422 2.958 5.930 1.00 3.01 H new ATOM 0 HG2 PRO A 221 -13.753 2.955 4.587 1.00 3.25 H new ATOM 0 HG3 PRO A 221 -14.200 3.571 6.166 1.00 3.25 H new ATOM 0 HD2 PRO A 221 -12.941 1.118 5.716 1.00 4.10 H new ATOM 0 HD3 PRO A 221 -13.794 1.544 7.187 1.00 4.10 H new ATOM 24 N TYR A 222 -14.583 0.664 2.934 1.00 3.36 N ATOM 25 CA TYR A 222 -14.255 0.217 1.561 1.00 3.25 C ATOM 26 C TYR A 222 -14.647 1.265 0.510 1.00 2.52 C ATOM 27 O TYR A 222 -15.776 1.757 0.507 1.00 2.61 O ATOM 28 CB TYR A 222 -14.911 -1.137 1.254 1.00 3.76 C ATOM 29 CG TYR A 222 -14.725 -2.148 2.361 1.00 4.63 C ATOM 30 CD1 TYR A 222 -13.468 -2.393 2.898 1.00 5.31 C ATOM 31 CD2 TYR A 222 -15.811 -2.838 2.885 1.00 5.08 C ATOM 32 CE1 TYR A 222 -13.300 -3.292 3.929 1.00 6.23 C ATOM 33 CE2 TYR A 222 -15.648 -3.745 3.913 1.00 6.03 C ATOM 34 CZ TYR A 222 -14.392 -3.965 4.432 1.00 6.52 C ATOM 35 OH TYR A 222 -14.225 -4.848 5.471 1.00 7.54 O ATOM 0 H TYR A 222 -13.764 0.925 3.484 1.00 3.36 H new ATOM 0 HA TYR A 222 -13.173 0.094 1.510 1.00 3.25 H new ATOM 0 HB2 TYR A 222 -15.977 -0.987 1.082 1.00 3.76 H new ATOM 0 HB3 TYR A 222 -14.492 -1.536 0.331 1.00 3.76 H new ATOM 0 HD1 TYR A 222 -12.609 -1.871 2.502 1.00 5.31 H new ATOM 0 HD2 TYR A 222 -16.798 -2.662 2.482 1.00 5.08 H new ATOM 0 HE1 TYR A 222 -12.317 -3.468 4.341 1.00 6.23 H new ATOM 0 HE2 TYR A 222 -16.500 -4.278 4.307 1.00 6.03 H new ATOM 0 HH TYR A 222 -14.165 -4.353 6.315 1.00 7.54 H new ATOM 45 N ALA A 223 -13.701 1.585 -0.392 1.00 2.13 N ATOM 46 CA ALA A 223 -13.816 2.734 -1.304 1.00 2.17 C ATOM 47 C ALA A 223 -14.067 4.001 -0.509 1.00 2.50 C ATOM 48 O ALA A 223 -14.526 5.015 -1.039 1.00 3.04 O ATOM 49 CB ALA A 223 -14.914 2.527 -2.337 1.00 2.26 C ATOM 0 H ALA A 223 -12.838 1.054 -0.508 1.00 2.13 H new ATOM 0 HA ALA A 223 -12.875 2.829 -1.845 1.00 2.17 H new ATOM 0 HB1 ALA A 223 -14.967 3.397 -2.991 1.00 2.26 H new ATOM 0 HB2 ALA A 223 -14.693 1.640 -2.930 1.00 2.26 H new ATOM 0 HB3 ALA A 223 -15.870 2.395 -1.830 1.00 2.26 H new ATOM 55 N GLN A 224 -13.722 3.938 0.761 1.00 2.41 N ATOM 56 CA GLN A 224 -14.095 4.963 1.713 1.00 2.84 C ATOM 57 C GLN A 224 -12.942 5.128 2.644 1.00 2.61 C ATOM 58 O GLN A 224 -11.996 4.357 2.523 1.00 2.25 O ATOM 59 CB GLN A 224 -15.374 4.603 2.473 1.00 3.26 C ATOM 60 CG GLN A 224 -16.622 4.692 1.622 1.00 3.94 C ATOM 61 CD GLN A 224 -17.891 4.574 2.433 1.00 4.73 C ATOM 62 OE1 GLN A 224 -17.952 3.860 3.433 1.00 5.34 O ATOM 63 NE2 GLN A 224 -18.901 5.311 2.031 1.00 5.07 N ATOM 0 H GLN A 224 -13.176 3.175 1.161 1.00 2.41 H new ATOM 0 HA GLN A 224 -14.314 5.896 1.194 1.00 2.84 H new ATOM 0 HB2 GLN A 224 -15.282 3.590 2.866 1.00 3.26 H new ATOM 0 HB3 GLN A 224 -15.479 5.269 3.330 1.00 3.26 H new ATOM 0 HG2 GLN A 224 -16.625 5.642 1.087 1.00 3.94 H new ATOM 0 HG3 GLN A 224 -16.601 3.903 0.871 1.00 3.94 H new ATOM 0 HE21 GLN A 224 -18.810 5.890 1.196 1.00 5.07 H new ATOM 0 HE22 GLN A 224 -19.777 5.305 2.554 1.00 5.07 H new ATOM 72 N PRO A 225 -12.975 6.107 3.570 1.00 3.00 N ATOM 73 CA PRO A 225 -11.840 6.352 4.442 1.00 2.88 C ATOM 74 C PRO A 225 -11.238 5.055 4.966 1.00 2.43 C ATOM 75 O PRO A 225 -11.791 4.383 5.836 1.00 2.62 O ATOM 76 CB PRO A 225 -12.485 7.136 5.580 1.00 3.40 C ATOM 77 CG PRO A 225 -13.559 7.926 4.923 1.00 4.04 C ATOM 78 CD PRO A 225 -14.078 7.065 3.807 1.00 3.72 C ATOM 0 HA PRO A 225 -11.018 6.866 3.944 1.00 2.88 H new ATOM 0 HB2 PRO A 225 -12.891 6.470 6.341 1.00 3.40 H new ATOM 0 HB3 PRO A 225 -11.762 7.784 6.076 1.00 3.40 H new ATOM 0 HG2 PRO A 225 -14.352 8.170 5.629 1.00 4.04 H new ATOM 0 HG3 PRO A 225 -13.171 8.870 4.540 1.00 4.04 H new ATOM 0 HD2 PRO A 225 -14.999 6.555 4.088 1.00 3.72 H new ATOM 0 HD3 PRO A 225 -14.298 7.652 2.916 1.00 3.72 H new ATOM 86 N SER A 226 -10.060 4.787 4.435 1.00 2.20 N ATOM 87 CA SER A 226 -9.296 3.563 4.627 1.00 2.08 C ATOM 88 C SER A 226 -10.058 2.243 4.474 1.00 1.74 C ATOM 89 O SER A 226 -11.256 2.116 4.713 1.00 1.98 O ATOM 90 CB SER A 226 -8.539 3.602 5.952 1.00 2.61 C ATOM 91 OG SER A 226 -7.571 4.641 5.949 1.00 3.08 O ATOM 0 H SER A 226 -9.583 5.451 3.825 1.00 2.20 H new ATOM 0 HA SER A 226 -8.601 3.557 3.787 1.00 2.08 H new ATOM 0 HB2 SER A 226 -9.240 3.755 6.772 1.00 2.61 H new ATOM 0 HB3 SER A 226 -8.050 2.643 6.125 1.00 2.61 H new ATOM 0 HG SER A 226 -7.098 4.650 6.807 1.00 3.08 H new ATOM 97 N ILE A 227 -9.289 1.253 4.045 1.00 1.37 N ATOM 98 CA ILE A 227 -9.759 -0.105 3.864 1.00 1.12 C ATOM 99 C ILE A 227 -9.097 -1.009 4.904 1.00 1.27 C ATOM 100 O ILE A 227 -7.875 -1.121 4.953 1.00 1.47 O ATOM 101 CB ILE A 227 -9.452 -0.599 2.422 1.00 0.97 C ATOM 102 CG1 ILE A 227 -10.605 -0.255 1.478 1.00 1.20 C ATOM 103 CG2 ILE A 227 -9.171 -2.089 2.379 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.814 1.226 1.279 1.00 1.47 C ATOM 0 H ILE A 227 -8.304 1.377 3.810 1.00 1.37 H new ATOM 0 HA ILE A 227 -10.840 -0.137 4.002 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.551 -0.082 2.091 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -10.419 -0.719 0.509 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -11.524 -0.692 1.869 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -8.962 -2.390 1.353 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.309 -2.315 3.006 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -10.040 -2.634 2.747 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -11.649 1.387 0.597 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -11.033 1.695 2.238 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.911 1.668 0.858 1.00 1.47 H new ATOM 116 N ASN A 228 -9.910 -1.622 5.753 1.00 1.52 N ATOM 117 CA ASN A 228 -9.409 -2.458 6.839 1.00 1.82 C ATOM 118 C ASN A 228 -10.325 -3.661 7.046 1.00 1.80 C ATOM 119 O ASN A 228 -11.535 -3.566 6.827 1.00 2.07 O ATOM 120 CB ASN A 228 -9.311 -1.657 8.145 1.00 2.42 C ATOM 121 CG ASN A 228 -8.340 -0.490 8.069 1.00 3.09 C ATOM 122 OD1 ASN A 228 -8.715 0.621 7.690 1.00 3.44 O ATOM 123 ND2 ASN A 228 -7.094 -0.724 8.447 1.00 3.83 N ATOM 0 H ASN A 228 -10.927 -1.556 5.711 1.00 1.52 H new ATOM 0 HA ASN A 228 -8.413 -2.805 6.565 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -10.300 -1.280 8.406 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -9.002 -2.325 8.949 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -6.406 0.029 8.431 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -6.821 -1.657 8.755 1.00 3.83 H new ATOM 130 N THR A 229 -9.731 -4.787 7.445 1.00 1.66 N ATOM 131 CA THR A 229 -10.462 -6.035 7.701 1.00 1.67 C ATOM 132 C THR A 229 -11.163 -6.596 6.436 1.00 1.68 C ATOM 133 O THR A 229 -12.255 -7.161 6.525 1.00 2.22 O ATOM 134 CB THR A 229 -11.511 -5.805 8.807 1.00 1.80 C ATOM 135 OG1 THR A 229 -10.971 -4.922 9.804 1.00 1.91 O ATOM 136 CG2 THR A 229 -11.913 -7.116 9.472 1.00 1.88 C ATOM 0 H THR A 229 -8.726 -4.862 7.601 1.00 1.66 H new ATOM 0 HA THR A 229 -9.726 -6.774 8.017 1.00 1.67 H new ATOM 0 HB THR A 229 -12.395 -5.364 8.347 1.00 1.80 H new ATOM 0 HG1 THR A 229 -11.638 -4.774 10.506 1.00 1.91 H new ATOM 0 HG21 THR A 229 -12.654 -6.919 10.247 1.00 1.88 H new ATOM 0 HG22 THR A 229 -12.338 -7.787 8.726 1.00 1.88 H new ATOM 0 HG23 THR A 229 -11.035 -7.581 9.920 1.00 1.88 H new ATOM 144 N PRO A 230 -10.551 -6.478 5.238 1.00 1.34 N ATOM 145 CA PRO A 230 -11.156 -6.859 3.979 1.00 1.46 C ATOM 146 C PRO A 230 -10.519 -8.103 3.345 1.00 1.44 C ATOM 147 O PRO A 230 -9.440 -8.538 3.749 1.00 1.32 O ATOM 148 CB PRO A 230 -10.844 -5.615 3.154 1.00 1.46 C ATOM 149 CG PRO A 230 -9.528 -5.113 3.692 1.00 1.48 C ATOM 150 CD PRO A 230 -9.239 -5.902 4.950 1.00 1.35 C ATOM 0 HA PRO A 230 -12.208 -7.131 4.065 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -10.772 -5.853 2.093 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -11.627 -4.864 3.260 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -8.733 -5.250 2.959 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -9.581 -4.046 3.909 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -8.481 -6.668 4.789 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -8.883 -5.266 5.761 1.00 1.35 H new ATOM 158 N LEU A 231 -11.231 -8.729 2.418 1.00 1.78 N ATOM 159 CA LEU A 231 -10.612 -9.707 1.528 1.00 1.82 C ATOM 160 C LEU A 231 -9.956 -8.960 0.364 1.00 1.52 C ATOM 161 O LEU A 231 -10.411 -7.869 0.010 1.00 1.52 O ATOM 162 CB LEU A 231 -11.640 -10.722 1.006 1.00 2.34 C ATOM 163 CG LEU A 231 -12.129 -11.756 2.028 1.00 2.79 C ATOM 164 CD1 LEU A 231 -13.080 -11.126 3.037 1.00 3.30 C ATOM 165 CD2 LEU A 231 -12.795 -12.927 1.322 1.00 3.42 C ATOM 0 H LEU A 231 -12.228 -8.581 2.262 1.00 1.78 H new ATOM 0 HA LEU A 231 -9.861 -10.269 2.083 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -12.504 -10.175 0.628 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -11.203 -11.252 0.160 1.00 2.34 H new ATOM 0 HG LEU A 231 -11.262 -12.127 2.574 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -13.410 -11.883 3.748 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -12.567 -10.326 3.571 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -13.945 -10.717 2.515 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -13.136 -13.651 2.062 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -13.648 -12.567 0.746 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -12.079 -13.403 0.652 1.00 3.42 H new ATOM 177 N PRO A 232 -8.869 -9.506 -0.229 1.00 1.40 N ATOM 178 CA PRO A 232 -8.101 -8.807 -1.277 1.00 1.28 C ATOM 179 C PRO A 232 -8.982 -8.331 -2.428 1.00 1.55 C ATOM 180 O PRO A 232 -9.730 -9.121 -3.005 1.00 1.84 O ATOM 181 CB PRO A 232 -7.106 -9.869 -1.756 1.00 1.40 C ATOM 182 CG PRO A 232 -6.937 -10.769 -0.585 1.00 1.45 C ATOM 183 CD PRO A 232 -8.284 -10.823 0.087 1.00 1.54 C ATOM 0 HA PRO A 232 -7.626 -7.902 -0.899 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -7.488 -10.410 -2.622 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -6.158 -9.421 -2.053 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -6.616 -11.762 -0.898 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -6.175 -10.387 0.095 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -8.895 -11.639 -0.300 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -8.192 -10.976 1.162 1.00 1.54 H new ATOM 191 N ASN A 233 -8.874 -7.030 -2.748 1.00 1.58 N ATOM 192 CA ASN A 233 -9.719 -6.385 -3.759 1.00 2.01 C ATOM 193 C ASN A 233 -11.168 -6.373 -3.276 1.00 1.76 C ATOM 194 O ASN A 233 -11.880 -7.365 -3.424 1.00 2.31 O ATOM 195 CB ASN A 233 -9.598 -7.117 -5.108 1.00 2.67 C ATOM 196 CG ASN A 233 -10.265 -6.380 -6.253 1.00 3.38 C ATOM 197 OD1 ASN A 233 -9.624 -5.605 -6.961 1.00 3.96 O ATOM 198 ND2 ASN A 233 -11.552 -6.614 -6.446 1.00 3.82 N ATOM 0 H ASN A 233 -8.200 -6.401 -2.313 1.00 1.58 H new ATOM 0 HA ASN A 233 -9.386 -5.357 -3.905 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -8.543 -7.260 -5.343 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -10.041 -8.109 -5.016 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -12.048 -6.145 -7.204 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -12.049 -7.264 -5.837 1.00 3.82 H new ATOM 205 N LEU A 234 -11.619 -5.261 -2.685 1.00 1.61 N ATOM 206 CA LEU A 234 -12.888 -5.278 -1.995 1.00 1.90 C ATOM 207 C LEU A 234 -13.929 -4.467 -2.744 1.00 1.69 C ATOM 208 O LEU A 234 -14.796 -5.029 -3.407 1.00 1.91 O ATOM 209 CB LEU A 234 -12.731 -4.755 -0.561 1.00 2.77 C ATOM 210 CG LEU A 234 -13.741 -5.307 0.457 1.00 3.77 C ATOM 211 CD1 LEU A 234 -15.162 -4.876 0.125 1.00 4.30 C ATOM 212 CD2 LEU A 234 -13.650 -6.822 0.510 1.00 4.49 C ATOM 0 H LEU A 234 -11.130 -4.366 -2.676 1.00 1.61 H new ATOM 0 HA LEU A 234 -13.231 -6.312 -1.952 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -11.725 -4.992 -0.214 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -12.815 -3.668 -0.578 1.00 2.77 H new ATOM 0 HG LEU A 234 -13.490 -4.896 1.435 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -15.849 -5.285 0.866 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -15.224 -3.788 0.134 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -15.433 -5.246 -0.864 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -14.369 -7.205 1.234 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -13.872 -7.234 -0.474 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -12.644 -7.116 0.808 1.00 4.49 H new ATOM 224 N GLN A 235 -13.849 -3.149 -2.654 1.00 1.58 N ATOM 225 CA GLN A 235 -14.910 -2.323 -3.173 1.00 1.78 C ATOM 226 C GLN A 235 -14.591 -1.876 -4.585 1.00 1.59 C ATOM 227 O GLN A 235 -15.172 -2.376 -5.546 1.00 1.97 O ATOM 228 CB GLN A 235 -15.088 -1.141 -2.249 1.00 2.17 C ATOM 229 CG GLN A 235 -16.412 -0.409 -2.426 1.00 2.56 C ATOM 230 CD GLN A 235 -17.629 -1.294 -2.206 1.00 3.18 C ATOM 231 OE1 GLN A 235 -18.686 -1.068 -2.795 1.00 3.71 O ATOM 232 NE2 GLN A 235 -17.502 -2.297 -1.349 1.00 3.72 N ATOM 0 H GLN A 235 -13.071 -2.641 -2.233 1.00 1.58 H new ATOM 0 HA GLN A 235 -15.840 -2.889 -3.218 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -15.010 -1.484 -1.217 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -14.271 -0.438 -2.414 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -16.451 0.428 -1.729 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -16.455 0.010 -3.431 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -16.611 -2.456 -0.878 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -18.295 -2.910 -1.160 1.00 3.72 H new ATOM 241 N ASN A 236 -13.655 -0.953 -4.707 1.00 1.40 N ATOM 242 CA ASN A 236 -13.154 -0.566 -6.015 1.00 1.65 C ATOM 243 C ASN A 236 -12.121 -1.607 -6.408 1.00 1.69 C ATOM 244 O ASN A 236 -12.076 -2.084 -7.543 1.00 2.36 O ATOM 245 CB ASN A 236 -12.533 0.838 -5.951 1.00 2.09 C ATOM 246 CG ASN A 236 -12.176 1.426 -7.309 1.00 2.95 C ATOM 247 OD1 ASN A 236 -11.967 0.713 -8.288 1.00 3.67 O ATOM 248 ND2 ASN A 236 -12.071 2.747 -7.366 1.00 3.34 N ATOM 0 H ASN A 236 -13.228 -0.460 -3.923 1.00 1.40 H new ATOM 0 HA ASN A 236 -13.954 -0.525 -6.754 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -13.230 1.509 -5.449 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -11.633 0.797 -5.338 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -11.810 3.201 -8.241 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -12.252 3.309 -6.534 1.00 3.34 H new ATOM 255 N GLY A 237 -11.306 -1.961 -5.426 1.00 1.32 N ATOM 256 CA GLY A 237 -10.510 -3.156 -5.496 1.00 1.67 C ATOM 257 C GLY A 237 -9.175 -2.954 -4.833 1.00 1.38 C ATOM 258 O GLY A 237 -8.959 -3.394 -3.701 1.00 1.70 O ATOM 0 H GLY A 237 -11.185 -1.425 -4.567 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -11.039 -3.978 -5.014 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -10.363 -3.439 -6.538 1.00 1.67 H new ATOM 262 N PRO A 238 -8.261 -2.288 -5.529 1.00 0.90 N ATOM 263 CA PRO A 238 -6.988 -1.869 -4.992 1.00 0.65 C ATOM 264 C PRO A 238 -7.054 -0.452 -4.519 1.00 0.50 C ATOM 265 O PRO A 238 -7.963 0.292 -4.876 1.00 0.76 O ATOM 266 CB PRO A 238 -6.094 -1.910 -6.210 1.00 0.65 C ATOM 267 CG PRO A 238 -6.995 -1.448 -7.306 1.00 0.96 C ATOM 268 CD PRO A 238 -8.395 -1.871 -6.930 1.00 0.88 C ATOM 0 HA PRO A 238 -6.662 -2.483 -4.153 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.229 -1.257 -6.097 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.713 -2.914 -6.397 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.937 -0.366 -7.423 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.701 -1.888 -8.259 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -9.105 -1.051 -7.039 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.751 -2.687 -7.560 1.00 0.88 H new ATOM 276 N PHE A 239 -6.089 -0.060 -3.756 1.00 0.37 N ATOM 277 CA PHE A 239 -5.919 1.332 -3.499 1.00 0.28 C ATOM 278 C PHE A 239 -4.526 1.742 -3.869 1.00 0.27 C ATOM 279 O PHE A 239 -3.734 0.938 -4.350 1.00 0.51 O ATOM 280 CB PHE A 239 -6.223 1.695 -2.042 1.00 0.34 C ATOM 281 CG PHE A 239 -5.841 0.646 -1.058 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.528 0.244 -0.900 1.00 0.35 C ATOM 283 CD2 PHE A 239 -6.815 0.069 -0.287 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.205 -0.726 0.021 1.00 0.35 C ATOM 285 CE2 PHE A 239 -6.499 -0.899 0.636 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.190 -1.297 0.789 1.00 0.73 C ATOM 0 H PHE A 239 -5.413 -0.675 -3.304 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.636 1.878 -4.113 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.700 2.618 -1.793 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.290 1.897 -1.945 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -3.752 0.693 -1.502 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -7.843 0.378 -0.406 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.178 -1.038 0.140 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.275 -1.346 1.239 1.00 1.09 H new ATOM 0 HZ PHE A 239 -4.938 -2.058 1.513 1.00 0.73 H new ATOM 296 N TYR A 240 -4.247 2.989 -3.659 1.00 0.16 N ATOM 297 CA TYR A 240 -2.920 3.496 -3.819 1.00 0.21 C ATOM 298 C TYR A 240 -2.513 3.994 -2.461 1.00 0.21 C ATOM 299 O TYR A 240 -3.370 4.215 -1.625 1.00 0.36 O ATOM 300 CB TYR A 240 -2.872 4.626 -4.853 1.00 0.25 C ATOM 301 CG TYR A 240 -3.538 4.286 -6.171 1.00 0.25 C ATOM 302 CD1 TYR A 240 -3.204 3.131 -6.870 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.500 5.126 -6.719 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.810 2.824 -8.072 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.111 4.824 -7.921 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.761 3.672 -8.593 1.00 0.45 C ATOM 307 OH TYR A 240 -5.368 3.367 -9.791 1.00 0.59 O ATOM 0 H TYR A 240 -4.934 3.686 -3.371 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.244 2.725 -4.187 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.352 5.510 -4.433 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.831 4.888 -5.041 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.458 2.463 -6.466 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.775 6.030 -6.196 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -3.539 1.922 -8.601 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.858 5.487 -8.332 1.00 0.46 H new ATOM 0 HH TYR A 240 -6.015 4.067 -10.017 1.00 0.59 H new ATOM 317 N ALA A 241 -1.248 4.117 -2.198 1.00 0.17 N ATOM 318 CA ALA A 241 -0.834 4.708 -0.955 1.00 0.19 C ATOM 319 C ALA A 241 0.343 5.618 -1.190 1.00 0.15 C ATOM 320 O ALA A 241 1.359 5.207 -1.753 1.00 0.19 O ATOM 321 CB ALA A 241 -0.504 3.651 0.083 1.00 0.35 C ATOM 0 H ALA A 241 -0.491 3.822 -2.815 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.664 5.296 -0.562 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.195 4.135 1.010 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.385 3.038 0.270 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.306 3.020 -0.285 1.00 0.35 H new ATOM 327 N ARG A 242 0.198 6.853 -0.772 1.00 0.16 N ATOM 328 CA ARG A 242 1.269 7.805 -0.865 1.00 0.16 C ATOM 329 C ARG A 242 2.255 7.517 0.233 1.00 0.14 C ATOM 330 O ARG A 242 1.956 7.685 1.416 1.00 0.23 O ATOM 331 CB ARG A 242 0.755 9.237 -0.713 1.00 0.29 C ATOM 332 CG ARG A 242 1.871 10.272 -0.696 1.00 0.33 C ATOM 333 CD ARG A 242 2.330 10.622 -2.100 1.00 0.79 C ATOM 334 NE ARG A 242 1.223 11.090 -2.934 1.00 1.19 N ATOM 335 CZ ARG A 242 1.292 11.212 -4.258 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.429 10.956 -4.893 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.226 11.602 -4.946 1.00 2.05 N ATOM 0 H ARG A 242 -0.660 7.220 -0.361 1.00 0.16 H new ATOM 0 HA ARG A 242 1.736 7.715 -1.846 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.072 9.461 -1.533 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.181 9.315 0.210 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.524 11.173 -0.191 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.715 9.889 -0.122 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.098 11.394 -2.049 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.788 9.747 -2.561 1.00 0.79 H new ATOM 0 HE ARG A 242 0.347 11.337 -2.474 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.253 10.665 -4.367 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.479 11.050 -5.907 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.647 11.809 -4.460 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.280 11.695 -5.960 1.00 2.05 H new ATOM 351 N VAL A 243 3.408 7.039 -0.147 1.00 0.10 N ATOM 352 CA VAL A 243 4.444 6.803 0.808 1.00 0.14 C ATOM 353 C VAL A 243 5.086 8.124 1.176 1.00 0.11 C ATOM 354 O VAL A 243 5.798 8.741 0.379 1.00 0.15 O ATOM 355 CB VAL A 243 5.483 5.796 0.281 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.878 6.097 -1.149 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.697 5.785 1.179 1.00 0.32 C ATOM 0 H VAL A 243 3.649 6.807 -1.111 1.00 0.10 H new ATOM 0 HA VAL A 243 4.009 6.356 1.702 1.00 0.14 H new ATOM 0 HB VAL A 243 5.026 4.806 0.290 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.612 5.365 -1.485 1.00 0.23 H new ATOM 0 HG12 VAL A 243 4.997 6.047 -1.788 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.310 7.096 -1.205 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.425 5.070 0.797 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.142 6.780 1.201 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.401 5.498 2.188 1.00 0.32 H new ATOM 367 N ILE A 244 4.796 8.579 2.379 1.00 0.13 N ATOM 368 CA ILE A 244 5.330 9.840 2.831 1.00 0.15 C ATOM 369 C ILE A 244 6.647 9.640 3.554 1.00 0.14 C ATOM 370 O ILE A 244 7.378 10.594 3.758 1.00 0.20 O ATOM 371 CB ILE A 244 4.340 10.594 3.737 1.00 0.25 C ATOM 372 CG1 ILE A 244 3.916 9.717 4.916 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.131 11.043 2.929 1.00 0.32 C ATOM 374 CD1 ILE A 244 2.878 10.359 5.805 1.00 0.76 C ATOM 0 H ILE A 244 4.200 8.097 3.052 1.00 0.13 H new ATOM 0 HA ILE A 244 5.501 10.449 1.944 1.00 0.15 H new ATOM 0 HB ILE A 244 4.834 11.479 4.139 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.523 8.775 4.534 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.795 9.476 5.514 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.436 11.575 3.579 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.456 11.704 2.125 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.634 10.171 2.503 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.626 9.680 6.619 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.275 11.287 6.217 1.00 0.76 H new ATOM 0 HD13 ILE A 244 1.983 10.575 5.222 1.00 0.76 H new ATOM 386 N GLN A 245 6.926 8.395 3.955 1.00 0.12 N ATOM 387 CA GLN A 245 8.219 8.025 4.535 1.00 0.14 C ATOM 388 C GLN A 245 8.485 6.538 4.371 1.00 0.14 C ATOM 389 O GLN A 245 7.802 5.706 4.965 1.00 0.17 O ATOM 390 CB GLN A 245 8.295 8.398 6.014 1.00 0.21 C ATOM 391 CG GLN A 245 8.368 9.890 6.246 1.00 0.33 C ATOM 392 CD GLN A 245 8.363 10.248 7.716 1.00 0.54 C ATOM 393 OE1 GLN A 245 9.412 10.349 8.351 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.175 10.445 8.264 1.00 1.06 N ATOM 0 H GLN A 245 6.266 7.621 3.887 1.00 0.12 H new ATOM 0 HA GLN A 245 8.983 8.585 3.996 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.421 7.999 6.529 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.171 7.924 6.458 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.273 10.283 5.783 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.523 10.373 5.755 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.331 10.351 7.699 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.103 10.691 9.251 1.00 1.06 H new ATOM 403 N LYS A 246 9.437 6.209 3.514 1.00 0.15 N ATOM 404 CA LYS A 246 9.874 4.835 3.349 1.00 0.16 C ATOM 405 C LYS A 246 11.387 4.743 3.309 1.00 0.22 C ATOM 406 O LYS A 246 12.092 5.753 3.215 1.00 0.29 O ATOM 407 CB LYS A 246 9.299 4.195 2.088 1.00 0.18 C ATOM 408 CG LYS A 246 8.735 2.799 2.323 1.00 0.20 C ATOM 409 CD LYS A 246 7.380 2.860 3.019 1.00 0.29 C ATOM 410 CE LYS A 246 6.360 1.944 2.366 1.00 0.28 C ATOM 411 NZ LYS A 246 5.905 2.457 1.045 1.00 0.36 N ATOM 0 H LYS A 246 9.924 6.880 2.919 1.00 0.15 H new ATOM 0 HA LYS A 246 9.499 4.288 4.214 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.511 4.835 1.691 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.079 4.141 1.328 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.634 2.280 1.370 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.432 2.220 2.929 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.498 2.582 4.066 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.010 3.885 3.001 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.794 0.952 2.238 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.500 1.833 3.026 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.898 2.710 1.099 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.460 3.298 0.789 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 6.039 1.721 0.322 1.00 0.36 H new ATOM 425 N ARG A 247 11.856 3.520 3.401 1.00 0.27 N ATOM 426 CA ARG A 247 13.249 3.183 3.222 1.00 0.37 C ATOM 427 C ARG A 247 13.402 2.771 1.768 1.00 0.27 C ATOM 428 O ARG A 247 12.391 2.496 1.124 1.00 0.21 O ATOM 429 CB ARG A 247 13.594 2.034 4.186 1.00 0.55 C ATOM 430 CG ARG A 247 14.764 1.154 3.781 1.00 0.69 C ATOM 431 CD ARG A 247 14.860 -0.050 4.702 1.00 0.72 C ATOM 432 NE ARG A 247 15.821 -1.047 4.237 1.00 1.24 N ATOM 433 CZ ARG A 247 15.581 -2.356 4.246 1.00 1.29 C ATOM 434 NH1 ARG A 247 14.406 -2.813 4.662 1.00 1.33 N ATOM 435 NH2 ARG A 247 16.505 -3.215 3.842 1.00 2.10 N ATOM 0 H ARG A 247 11.266 2.714 3.607 1.00 0.27 H new ATOM 0 HA ARG A 247 13.924 4.011 3.440 1.00 0.37 H new ATOM 0 HB2 ARG A 247 13.808 2.460 5.166 1.00 0.55 H new ATOM 0 HB3 ARG A 247 12.712 1.403 4.298 1.00 0.55 H new ATOM 0 HG2 ARG A 247 14.639 0.823 2.750 1.00 0.69 H new ATOM 0 HG3 ARG A 247 15.690 1.727 3.822 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.145 0.284 5.700 1.00 0.72 H new ATOM 0 HD3 ARG A 247 13.877 -0.513 4.790 1.00 0.72 H new ATOM 0 HE ARG A 247 16.723 -0.723 3.887 1.00 1.24 H new ATOM 0 HH11 ARG A 247 13.687 -2.161 4.975 1.00 1.33 H new ATOM 0 HH12 ARG A 247 14.222 -3.816 4.669 1.00 1.33 H new ATOM 0 HH21 ARG A 247 17.411 -2.875 3.520 1.00 2.10 H new ATOM 0 HH22 ARG A 247 16.310 -4.216 3.853 1.00 2.10 H new ATOM 449 N VAL A 248 14.610 2.751 1.224 1.00 0.32 N ATOM 450 CA VAL A 248 14.772 2.286 -0.144 1.00 0.31 C ATOM 451 C VAL A 248 15.392 0.888 -0.141 1.00 0.26 C ATOM 452 O VAL A 248 16.614 0.725 -0.173 1.00 0.30 O ATOM 453 CB VAL A 248 15.641 3.249 -0.979 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.390 3.051 -2.466 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.379 4.693 -0.583 1.00 1.18 C ATOM 0 H VAL A 248 15.468 3.042 1.692 1.00 0.32 H new ATOM 0 HA VAL A 248 13.785 2.252 -0.606 1.00 0.31 H new ATOM 0 HB VAL A 248 16.687 3.022 -0.775 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.013 3.741 -3.035 1.00 1.12 H new ATOM 0 HG12 VAL A 248 15.636 2.026 -2.743 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.340 3.244 -2.687 1.00 1.12 H new ATOM 0 HG21 VAL A 248 16.003 5.354 -1.185 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.329 4.932 -0.752 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.617 4.830 0.472 1.00 1.18 H new ATOM 465 N PRO A 249 14.531 -0.135 -0.062 1.00 0.20 N ATOM 466 CA PRO A 249 14.889 -1.536 -0.026 1.00 0.20 C ATOM 467 C PRO A 249 14.651 -2.243 -1.344 1.00 0.27 C ATOM 468 O PRO A 249 14.094 -1.674 -2.269 1.00 0.34 O ATOM 469 CB PRO A 249 13.935 -2.069 1.043 1.00 0.21 C ATOM 470 CG PRO A 249 12.788 -1.085 1.084 1.00 0.23 C ATOM 471 CD PRO A 249 13.093 -0.023 0.063 1.00 0.22 C ATOM 0 HA PRO A 249 15.949 -1.694 0.176 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.585 -3.070 0.793 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.429 -2.137 2.012 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.844 -1.581 0.857 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.688 -0.649 2.078 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.585 -0.208 -0.883 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.788 0.968 0.400 1.00 0.22 H new ATOM 479 N ASN A 250 15.100 -3.476 -1.437 1.00 0.31 N ATOM 480 CA ASN A 250 14.819 -4.272 -2.605 1.00 0.39 C ATOM 481 C ASN A 250 14.077 -5.541 -2.231 1.00 0.36 C ATOM 482 O ASN A 250 13.934 -5.879 -1.060 1.00 0.35 O ATOM 483 CB ASN A 250 16.101 -4.599 -3.366 1.00 0.51 C ATOM 484 CG ASN A 250 16.889 -5.751 -2.775 1.00 1.13 C ATOM 485 OD1 ASN A 250 16.792 -6.874 -3.256 1.00 1.97 O ATOM 486 ND2 ASN A 250 17.658 -5.491 -1.728 1.00 1.56 N ATOM 0 H ASN A 250 15.657 -3.944 -0.722 1.00 0.31 H new ATOM 0 HA ASN A 250 14.177 -3.685 -3.262 1.00 0.39 H new ATOM 0 HB2 ASN A 250 15.848 -4.837 -4.399 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.734 -3.712 -3.389 1.00 0.51 H new ATOM 0 HD21 ASN A 250 18.197 -6.240 -1.292 1.00 1.56 H new ATOM 0 HD22 ASN A 250 17.711 -4.542 -1.357 1.00 1.56 H new ATOM 493 N ALA A 251 13.630 -6.230 -3.255 1.00 0.43 N ATOM 494 CA ALA A 251 12.817 -7.439 -3.123 1.00 0.48 C ATOM 495 C ALA A 251 13.539 -8.576 -2.392 1.00 0.53 C ATOM 496 O ALA A 251 12.917 -9.571 -2.035 1.00 0.60 O ATOM 497 CB ALA A 251 12.361 -7.909 -4.497 1.00 0.59 C ATOM 0 H ALA A 251 13.819 -5.970 -4.223 1.00 0.43 H new ATOM 0 HA ALA A 251 11.955 -7.173 -2.511 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.756 -8.810 -4.391 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.768 -7.127 -4.971 1.00 0.59 H new ATOM 0 HB3 ALA A 251 13.232 -8.128 -5.114 1.00 0.59 H new ATOM 503 N TYR A 252 14.846 -8.449 -2.191 1.00 0.54 N ATOM 504 CA TYR A 252 15.599 -9.444 -1.434 1.00 0.65 C ATOM 505 C TYR A 252 15.385 -9.219 0.059 1.00 0.60 C ATOM 506 O TYR A 252 15.593 -10.112 0.881 1.00 0.69 O ATOM 507 CB TYR A 252 17.090 -9.370 -1.784 1.00 0.77 C ATOM 508 CG TYR A 252 17.928 -10.488 -1.202 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.937 -11.747 -1.785 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.714 -10.282 -0.074 1.00 2.46 C ATOM 511 CE1 TYR A 252 18.703 -12.771 -1.261 1.00 2.83 C ATOM 512 CE2 TYR A 252 19.482 -11.302 0.456 1.00 3.46 C ATOM 513 CZ TYR A 252 19.473 -12.544 -0.142 1.00 3.61 C ATOM 514 OH TYR A 252 20.236 -13.565 0.382 1.00 4.61 O ATOM 0 H TYR A 252 15.405 -7.670 -2.540 1.00 0.54 H new ATOM 0 HA TYR A 252 15.241 -10.439 -1.697 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.196 -9.380 -2.869 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.485 -8.417 -1.434 1.00 0.77 H new ATOM 0 HD1 TYR A 252 17.335 -11.930 -2.663 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.725 -9.310 0.396 1.00 2.46 H new ATOM 0 HE1 TYR A 252 18.698 -13.745 -1.727 1.00 2.83 H new ATOM 0 HE2 TYR A 252 20.086 -11.127 1.334 1.00 3.46 H new ATOM 0 HH TYR A 252 20.720 -13.240 1.170 1.00 4.61 H new ATOM 524 N ASP A 253 14.968 -8.005 0.397 1.00 0.50 N ATOM 525 CA ASP A 253 14.614 -7.662 1.763 1.00 0.51 C ATOM 526 C ASP A 253 13.213 -8.151 2.039 1.00 0.48 C ATOM 527 O ASP A 253 12.262 -7.380 1.948 1.00 0.43 O ATOM 528 CB ASP A 253 14.656 -6.147 1.937 1.00 0.49 C ATOM 529 CG ASP A 253 14.452 -5.695 3.370 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.425 -5.720 4.147 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.328 -5.291 3.729 1.00 1.32 O ATOM 0 H ASP A 253 14.867 -7.237 -0.266 1.00 0.50 H new ATOM 0 HA ASP A 253 15.318 -8.126 2.453 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.617 -5.775 1.581 1.00 0.49 H new ATOM 0 HB3 ASP A 253 13.887 -5.696 1.310 1.00 0.49 H new ATOM 536 N LYS A 254 13.088 -9.424 2.401 1.00 0.55 N ATOM 537 CA LYS A 254 11.801 -10.079 2.406 1.00 0.55 C ATOM 538 C LYS A 254 11.216 -9.962 1.012 1.00 0.49 C ATOM 539 O LYS A 254 11.443 -10.823 0.165 1.00 0.54 O ATOM 540 CB LYS A 254 10.867 -9.483 3.470 1.00 0.57 C ATOM 541 CG LYS A 254 11.236 -9.890 4.889 1.00 0.73 C ATOM 542 CD LYS A 254 11.485 -8.685 5.787 1.00 1.32 C ATOM 543 CE LYS A 254 12.682 -7.874 5.314 1.00 1.62 C ATOM 544 NZ LYS A 254 12.952 -6.699 6.182 1.00 2.40 N ATOM 0 H LYS A 254 13.866 -10.015 2.693 1.00 0.55 H new ATOM 0 HA LYS A 254 11.918 -11.130 2.669 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.888 -8.396 3.394 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.844 -9.798 3.263 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.435 -10.496 5.311 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.129 -10.514 4.865 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.598 -8.052 5.802 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.653 -9.021 6.810 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.564 -8.514 5.290 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.506 -7.535 4.293 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 13.085 -5.854 5.591 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 12.148 -6.550 6.824 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.813 -6.870 6.740 1.00 2.40 H new ATOM 558 N THR A 255 10.465 -8.903 0.782 1.00 0.42 N ATOM 559 CA THR A 255 10.012 -8.565 -0.556 1.00 0.39 C ATOM 560 C THR A 255 10.047 -7.058 -0.820 1.00 0.31 C ATOM 561 O THR A 255 9.692 -6.625 -1.896 1.00 0.32 O ATOM 562 CB THR A 255 8.599 -9.121 -0.806 1.00 0.47 C ATOM 563 OG1 THR A 255 7.772 -8.883 0.345 1.00 0.49 O ATOM 564 CG2 THR A 255 8.655 -10.611 -1.092 1.00 0.60 C ATOM 0 H THR A 255 10.153 -8.258 1.508 1.00 0.42 H new ATOM 0 HA THR A 255 10.707 -9.031 -1.255 1.00 0.39 H new ATOM 0 HB THR A 255 8.175 -8.613 -1.672 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.873 -9.237 0.181 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.647 -10.986 -1.266 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.266 -10.789 -1.977 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.093 -11.129 -0.239 1.00 0.60 H new ATOM 572 N ALA A 256 10.566 -6.314 0.149 1.00 0.26 N ATOM 573 CA ALA A 256 10.326 -4.866 0.327 1.00 0.21 C ATOM 574 C ALA A 256 10.181 -3.995 -0.937 1.00 0.17 C ATOM 575 O ALA A 256 10.953 -4.092 -1.893 1.00 0.21 O ATOM 576 CB ALA A 256 11.413 -4.298 1.209 1.00 0.23 C ATOM 0 H ALA A 256 11.186 -6.702 0.860 1.00 0.26 H new ATOM 0 HA ALA A 256 9.334 -4.818 0.776 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.247 -3.230 1.348 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.394 -4.797 2.178 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.383 -4.456 0.738 1.00 0.23 H new ATOM 582 N LEU A 257 9.162 -3.108 -0.874 1.00 0.14 N ATOM 583 CA LEU A 257 8.924 -2.056 -1.875 1.00 0.14 C ATOM 584 C LEU A 257 10.064 -1.052 -1.905 1.00 0.13 C ATOM 585 O LEU A 257 10.386 -0.455 -0.882 1.00 0.15 O ATOM 586 CB LEU A 257 7.644 -1.250 -1.556 1.00 0.15 C ATOM 587 CG LEU A 257 6.308 -1.855 -1.961 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.342 -2.344 -3.395 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.929 -2.957 -1.008 1.00 0.21 C ATOM 0 H LEU A 257 8.478 -3.107 -0.117 1.00 0.14 H new ATOM 0 HA LEU A 257 8.831 -2.571 -2.831 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.619 -1.072 -0.481 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.732 -0.277 -2.039 1.00 0.15 H new ATOM 0 HG LEU A 257 5.543 -1.080 -1.906 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.374 -2.771 -3.657 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.561 -1.508 -4.059 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.115 -3.105 -3.502 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.971 -3.383 -1.307 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.694 -3.734 -1.027 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.847 -2.553 0.001 1.00 0.21 H new ATOM 601 N ALA A 258 10.629 -0.822 -3.075 1.00 0.14 N ATOM 602 CA ALA A 258 11.665 0.189 -3.228 1.00 0.16 C ATOM 603 C ALA A 258 11.059 1.539 -3.591 1.00 0.17 C ATOM 604 O ALA A 258 10.731 1.780 -4.753 1.00 0.24 O ATOM 605 CB ALA A 258 12.646 -0.251 -4.296 1.00 0.22 C ATOM 0 H ALA A 258 10.391 -1.319 -3.933 1.00 0.14 H new ATOM 0 HA ALA A 258 12.189 0.301 -2.279 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.422 0.506 -4.411 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.102 -1.197 -4.004 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.120 -0.379 -5.242 1.00 0.22 H new ATOM 611 N LEU A 259 10.897 2.413 -2.599 1.00 0.13 N ATOM 612 CA LEU A 259 10.289 3.718 -2.836 1.00 0.15 C ATOM 613 C LEU A 259 10.705 4.730 -1.773 1.00 0.15 C ATOM 614 O LEU A 259 11.255 4.372 -0.735 1.00 0.18 O ATOM 615 CB LEU A 259 8.757 3.605 -2.939 1.00 0.20 C ATOM 616 CG LEU A 259 8.146 2.323 -2.378 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.350 2.238 -0.881 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.675 2.253 -2.719 1.00 0.55 C ATOM 0 H LEU A 259 11.176 2.242 -1.633 1.00 0.13 H new ATOM 0 HA LEU A 259 10.658 4.086 -3.793 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.313 4.454 -2.419 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.475 3.691 -3.988 1.00 0.20 H new ATOM 0 HG LEU A 259 8.652 1.472 -2.835 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.906 1.316 -0.505 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.417 2.244 -0.658 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.874 3.092 -0.400 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.251 1.334 -2.314 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.160 3.112 -2.288 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.552 2.262 -3.802 1.00 0.55 H new ATOM 630 N GLU A 260 10.422 5.991 -2.050 1.00 0.18 N ATOM 631 CA GLU A 260 10.884 7.101 -1.257 1.00 0.24 C ATOM 632 C GLU A 260 9.677 7.906 -0.772 1.00 0.20 C ATOM 633 O GLU A 260 8.533 7.546 -1.029 1.00 0.21 O ATOM 634 CB GLU A 260 11.818 7.965 -2.141 1.00 0.39 C ATOM 635 CG GLU A 260 12.057 9.385 -1.640 1.00 0.52 C ATOM 636 CD GLU A 260 13.256 9.492 -0.726 1.00 0.96 C ATOM 637 OE1 GLU A 260 13.151 9.059 0.437 1.00 1.74 O ATOM 638 OE2 GLU A 260 14.303 10.023 -1.156 1.00 1.27 O ATOM 0 H GLU A 260 9.853 6.270 -2.849 1.00 0.18 H new ATOM 0 HA GLU A 260 11.436 6.760 -0.381 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.780 7.460 -2.226 1.00 0.39 H new ATOM 0 HB3 GLU A 260 11.396 8.017 -3.145 1.00 0.39 H new ATOM 0 HG2 GLU A 260 12.197 10.047 -2.494 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.170 9.732 -1.110 1.00 0.52 H new ATOM 645 N VAL A 261 9.948 8.954 -0.041 1.00 0.33 N ATOM 646 CA VAL A 261 8.971 9.952 0.311 1.00 0.32 C ATOM 647 C VAL A 261 8.460 10.696 -0.912 1.00 0.22 C ATOM 648 O VAL A 261 9.246 11.226 -1.700 1.00 0.28 O ATOM 649 CB VAL A 261 9.622 10.934 1.278 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.677 12.059 1.662 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.098 10.142 2.461 1.00 0.93 C ATOM 0 H VAL A 261 10.877 9.143 0.336 1.00 0.33 H new ATOM 0 HA VAL A 261 8.114 9.461 0.773 1.00 0.32 H new ATOM 0 HB VAL A 261 10.469 11.433 0.808 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.180 12.737 2.352 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.380 12.606 0.767 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.792 11.642 2.143 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.572 10.811 3.180 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.249 9.646 2.932 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.819 9.394 2.132 1.00 0.93 H new ATOM 661 N GLY A 262 7.149 10.730 -1.080 1.00 0.17 N ATOM 662 CA GLY A 262 6.590 11.491 -2.162 1.00 0.20 C ATOM 663 C GLY A 262 6.084 10.607 -3.271 1.00 0.22 C ATOM 664 O GLY A 262 5.532 11.084 -4.265 1.00 0.31 O ATOM 0 H GLY A 262 6.471 10.247 -0.490 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.772 12.107 -1.788 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.346 12.170 -2.556 1.00 0.20 H new ATOM 668 N GLU A 263 6.248 9.311 -3.084 1.00 0.16 N ATOM 669 CA GLU A 263 5.937 8.350 -4.112 1.00 0.18 C ATOM 670 C GLU A 263 4.553 7.757 -3.882 1.00 0.15 C ATOM 671 O GLU A 263 3.923 8.005 -2.853 1.00 0.19 O ATOM 672 CB GLU A 263 6.997 7.255 -4.089 1.00 0.23 C ATOM 673 CG GLU A 263 8.408 7.798 -3.943 1.00 0.26 C ATOM 674 CD GLU A 263 8.955 8.359 -5.236 1.00 0.61 C ATOM 675 OE1 GLU A 263 9.455 7.567 -6.063 1.00 1.02 O ATOM 676 OE2 GLU A 263 8.897 9.590 -5.434 1.00 1.04 O ATOM 0 H GLU A 263 6.599 8.902 -2.218 1.00 0.16 H new ATOM 0 HA GLU A 263 5.934 8.839 -5.086 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.789 6.573 -3.265 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.931 6.673 -5.008 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.416 8.578 -3.182 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.064 7.002 -3.591 1.00 0.26 H new ATOM 683 N LEU A 264 4.087 6.975 -4.833 1.00 0.14 N ATOM 684 CA LEU A 264 2.802 6.307 -4.717 1.00 0.13 C ATOM 685 C LEU A 264 2.981 4.821 -4.997 1.00 0.15 C ATOM 686 O LEU A 264 3.864 4.437 -5.762 1.00 0.24 O ATOM 687 CB LEU A 264 1.804 6.911 -5.709 1.00 0.15 C ATOM 688 CG LEU A 264 0.335 6.556 -5.465 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.198 7.312 -4.260 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.500 6.860 -6.701 1.00 0.18 C ATOM 0 H LEU A 264 4.582 6.783 -5.704 1.00 0.14 H new ATOM 0 HA LEU A 264 2.414 6.442 -3.707 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.906 7.996 -5.685 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.076 6.587 -6.714 1.00 0.15 H new ATOM 0 HG LEU A 264 0.266 5.488 -5.260 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.244 7.049 -4.099 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.383 7.046 -3.377 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.117 8.384 -4.438 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.541 6.601 -6.509 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.427 7.922 -6.937 1.00 0.18 H new ATOM 0 HD23 LEU A 264 -0.130 6.275 -7.543 1.00 0.18 H new ATOM 702 N VAL A 265 2.160 3.988 -4.379 1.00 0.14 N ATOM 703 CA VAL A 265 2.248 2.555 -4.594 1.00 0.15 C ATOM 704 C VAL A 265 0.843 1.994 -4.734 1.00 0.15 C ATOM 705 O VAL A 265 -0.094 2.514 -4.135 1.00 0.27 O ATOM 706 CB VAL A 265 3.008 1.839 -3.439 1.00 0.20 C ATOM 707 CG1 VAL A 265 2.071 1.147 -2.467 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.980 0.829 -3.993 1.00 0.41 C ATOM 0 H VAL A 265 1.430 4.278 -3.729 1.00 0.14 H new ATOM 0 HA VAL A 265 2.817 2.374 -5.506 1.00 0.15 H new ATOM 0 HB VAL A 265 3.545 2.615 -2.893 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.653 0.664 -1.682 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.401 1.882 -2.022 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.485 0.397 -2.998 1.00 0.40 H new ATOM 0 HG21 VAL A 265 4.502 0.338 -3.172 1.00 0.41 H new ATOM 0 HG22 VAL A 265 3.438 0.084 -4.575 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.704 1.334 -4.633 1.00 0.41 H new ATOM 718 N LYS A 266 0.688 0.966 -5.538 1.00 0.13 N ATOM 719 CA LYS A 266 -0.601 0.325 -5.689 1.00 0.15 C ATOM 720 C LYS A 266 -0.595 -0.951 -4.870 1.00 0.13 C ATOM 721 O LYS A 266 -0.023 -1.960 -5.270 1.00 0.14 O ATOM 722 CB LYS A 266 -0.898 0.052 -7.177 1.00 0.24 C ATOM 723 CG LYS A 266 -2.269 -0.553 -7.465 1.00 0.85 C ATOM 724 CD LYS A 266 -2.263 -2.071 -7.359 1.00 0.49 C ATOM 725 CE LYS A 266 -1.253 -2.702 -8.310 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.579 -2.439 -9.740 1.00 1.32 N ATOM 0 H LYS A 266 1.436 0.556 -6.097 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.396 0.977 -5.326 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.809 0.989 -7.727 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.133 -0.620 -7.567 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -2.998 -0.145 -6.765 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.589 -0.262 -8.465 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -2.029 -2.363 -6.335 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.259 -2.455 -7.580 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -0.259 -2.314 -8.089 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -1.220 -3.778 -8.139 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -0.914 -2.957 -10.349 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -2.549 -2.756 -9.939 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -1.501 -1.420 -9.932 1.00 1.32 H new ATOM 740 N VAL A 267 -1.221 -0.898 -3.712 1.00 0.16 N ATOM 741 CA VAL A 267 -1.206 -2.012 -2.798 1.00 0.16 C ATOM 742 C VAL A 267 -2.199 -3.078 -3.261 1.00 0.17 C ATOM 743 O VAL A 267 -3.412 -2.931 -3.107 1.00 0.25 O ATOM 744 CB VAL A 267 -1.531 -1.567 -1.355 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.164 -2.641 -0.370 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.815 -0.273 -1.003 1.00 0.63 C ATOM 0 H VAL A 267 -1.748 -0.089 -3.384 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.200 -2.432 -2.795 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.605 -1.391 -1.300 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.402 -2.305 0.639 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.727 -3.547 -0.593 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.097 -2.850 -0.441 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.064 0.014 0.019 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.262 -0.419 -1.087 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.129 0.515 -1.688 1.00 0.63 H new ATOM 756 N THR A 268 -1.666 -4.140 -3.852 1.00 0.15 N ATOM 757 CA THR A 268 -2.462 -5.223 -4.389 1.00 0.19 C ATOM 758 C THR A 268 -2.901 -6.179 -3.277 1.00 0.22 C ATOM 759 O THR A 268 -3.739 -7.056 -3.490 1.00 0.34 O ATOM 760 CB THR A 268 -1.666 -5.989 -5.474 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.450 -7.050 -6.031 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.364 -6.549 -4.908 1.00 0.29 C ATOM 0 H THR A 268 -0.661 -4.270 -3.970 1.00 0.15 H new ATOM 0 HA THR A 268 -3.355 -4.797 -4.845 1.00 0.19 H new ATOM 0 HB THR A 268 -1.425 -5.279 -6.265 1.00 0.24 H new ATOM 0 HG1 THR A 268 -3.179 -7.276 -5.416 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.174 -7.082 -5.692 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.253 -5.731 -4.536 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.588 -7.235 -4.091 1.00 0.29 H new ATOM 770 N LYS A 269 -2.326 -6.005 -2.092 1.00 0.18 N ATOM 771 CA LYS A 269 -2.696 -6.799 -0.937 1.00 0.20 C ATOM 772 C LYS A 269 -3.302 -5.909 0.123 1.00 0.22 C ATOM 773 O LYS A 269 -2.739 -4.888 0.463 1.00 0.35 O ATOM 774 CB LYS A 269 -1.475 -7.516 -0.366 1.00 0.23 C ATOM 775 CG LYS A 269 -1.796 -8.430 0.804 1.00 0.40 C ATOM 776 CD LYS A 269 -1.456 -9.881 0.508 1.00 1.55 C ATOM 777 CE LYS A 269 -2.196 -10.411 -0.709 1.00 2.25 C ATOM 778 NZ LYS A 269 -2.006 -11.876 -0.865 1.00 2.84 N ATOM 0 H LYS A 269 -1.597 -5.315 -1.911 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.427 -7.545 -1.249 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -1.007 -8.103 -1.156 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.745 -6.773 -0.045 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -1.242 -8.101 1.683 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.856 -8.349 1.046 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.382 -9.974 0.346 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.702 -10.494 1.375 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.259 -10.189 -0.615 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -1.841 -9.899 -1.604 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -2.524 -12.206 -1.705 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -0.993 -12.085 -0.979 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -2.368 -12.365 -0.021 1.00 2.84 H new ATOM 792 N ILE A 270 -4.446 -6.292 0.638 1.00 0.33 N ATOM 793 CA ILE A 270 -5.087 -5.533 1.701 1.00 0.39 C ATOM 794 C ILE A 270 -4.941 -6.280 3.027 1.00 0.55 C ATOM 795 O ILE A 270 -4.529 -7.441 3.036 1.00 0.73 O ATOM 796 CB ILE A 270 -6.579 -5.265 1.384 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.286 -6.529 0.891 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.708 -4.171 0.335 1.00 1.09 C ATOM 799 CD1 ILE A 270 -7.378 -7.638 1.909 1.00 1.90 C ATOM 0 H ILE A 270 -4.957 -7.124 0.343 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.593 -4.565 1.780 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.057 -4.944 2.310 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -8.294 -6.264 0.571 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -6.761 -6.903 0.012 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.762 -3.993 0.122 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.254 -3.253 0.709 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.201 -4.481 -0.579 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -7.894 -8.492 1.471 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -6.375 -7.937 2.213 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -7.932 -7.287 2.780 1.00 1.90 H new ATOM 811 N ASN A 271 -5.247 -5.625 4.140 1.00 0.60 N ATOM 812 CA ASN A 271 -5.222 -6.302 5.436 1.00 0.82 C ATOM 813 C ASN A 271 -5.962 -5.489 6.495 1.00 0.70 C ATOM 814 O ASN A 271 -6.574 -4.464 6.197 1.00 0.87 O ATOM 815 CB ASN A 271 -3.779 -6.555 5.876 1.00 1.17 C ATOM 816 CG ASN A 271 -3.098 -5.301 6.359 1.00 1.58 C ATOM 817 OD1 ASN A 271 -3.014 -5.041 7.556 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.643 -4.496 5.427 1.00 1.88 N ATOM 0 H ASN A 271 -5.512 -4.641 4.176 1.00 0.60 H new ATOM 0 HA ASN A 271 -5.731 -7.259 5.326 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -3.770 -7.300 6.672 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.216 -6.973 5.042 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.199 -3.615 5.686 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -2.734 -4.751 4.444 1.00 1.88 H new ATOM 825 N MET A 272 -5.888 -5.956 7.730 1.00 0.81 N ATOM 826 CA MET A 272 -6.620 -5.362 8.841 1.00 0.97 C ATOM 827 C MET A 272 -5.909 -4.157 9.450 1.00 1.02 C ATOM 828 O MET A 272 -6.527 -3.127 9.703 1.00 1.22 O ATOM 829 CB MET A 272 -6.849 -6.422 9.920 1.00 1.24 C ATOM 830 CG MET A 272 -5.586 -7.196 10.273 1.00 1.30 C ATOM 831 SD MET A 272 -5.822 -8.345 11.640 1.00 2.03 S ATOM 832 CE MET A 272 -4.195 -9.088 11.728 1.00 2.52 C ATOM 0 H MET A 272 -5.318 -6.760 7.993 1.00 0.81 H new ATOM 0 HA MET A 272 -7.569 -5.002 8.445 1.00 0.97 H new ATOM 0 HB2 MET A 272 -7.236 -5.940 10.818 1.00 1.24 H new ATOM 0 HB3 MET A 272 -7.613 -7.121 9.579 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.248 -7.748 9.396 1.00 1.30 H new ATOM 0 HG3 MET A 272 -4.795 -6.492 10.530 1.00 1.30 H new ATOM 0 HE1 MET A 272 -4.175 -9.826 12.530 1.00 2.52 H new ATOM 0 HE2 MET A 272 -3.966 -9.575 10.780 1.00 2.52 H new ATOM 0 HE3 MET A 272 -3.453 -8.315 11.928 1.00 2.52 H new ATOM 842 N SER A 273 -4.612 -4.278 9.661 1.00 0.93 N ATOM 843 CA SER A 273 -3.873 -3.308 10.462 1.00 1.02 C ATOM 844 C SER A 273 -3.178 -2.254 9.600 1.00 0.91 C ATOM 845 O SER A 273 -2.502 -1.365 10.120 1.00 1.14 O ATOM 846 CB SER A 273 -2.846 -4.039 11.325 1.00 1.14 C ATOM 847 OG SER A 273 -3.459 -5.088 12.060 1.00 1.50 O ATOM 0 H SER A 273 -4.043 -5.039 9.290 1.00 0.93 H new ATOM 0 HA SER A 273 -4.589 -2.784 11.095 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.056 -4.445 10.693 1.00 1.14 H new ATOM 0 HB3 SER A 273 -2.375 -3.336 12.011 1.00 1.14 H new ATOM 0 HG SER A 273 -2.784 -5.544 12.604 1.00 1.50 H new ATOM 853 N GLY A 274 -3.339 -2.353 8.291 1.00 0.64 N ATOM 854 CA GLY A 274 -2.710 -1.397 7.404 1.00 0.61 C ATOM 855 C GLY A 274 -1.301 -1.805 7.026 1.00 0.49 C ATOM 856 O GLY A 274 -0.558 -1.020 6.452 1.00 0.57 O ATOM 0 H GLY A 274 -3.891 -3.074 7.827 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.311 -1.293 6.500 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.686 -0.419 7.885 1.00 0.61 H new ATOM 860 N GLN A 275 -0.932 -3.041 7.329 1.00 0.41 N ATOM 861 CA GLN A 275 0.394 -3.528 6.982 1.00 0.40 C ATOM 862 C GLN A 275 0.268 -4.479 5.803 1.00 0.32 C ATOM 863 O GLN A 275 0.199 -5.696 5.968 1.00 0.41 O ATOM 864 CB GLN A 275 1.044 -4.223 8.180 1.00 0.56 C ATOM 865 CG GLN A 275 2.546 -4.402 8.043 1.00 0.69 C ATOM 866 CD GLN A 275 3.153 -5.111 9.234 1.00 0.76 C ATOM 867 OE1 GLN A 275 2.519 -5.966 9.852 1.00 1.36 O ATOM 868 NE2 GLN A 275 4.380 -4.749 9.576 1.00 0.81 N ATOM 0 H GLN A 275 -1.525 -3.718 7.809 1.00 0.41 H new ATOM 0 HA GLN A 275 1.034 -2.690 6.706 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.837 -3.644 9.080 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.582 -5.201 8.316 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.760 -4.970 7.138 1.00 0.69 H new ATOM 0 HG3 GLN A 275 3.016 -3.426 7.926 1.00 0.69 H new ATOM 0 HE21 GLN A 275 4.870 -4.036 9.036 1.00 0.81 H new ATOM 0 HE22 GLN A 275 4.835 -5.183 10.379 1.00 0.81 H new ATOM 877 N TRP A 276 0.197 -3.902 4.617 1.00 0.22 N ATOM 878 CA TRP A 276 -0.136 -4.645 3.415 1.00 0.17 C ATOM 879 C TRP A 276 1.073 -4.835 2.520 1.00 0.15 C ATOM 880 O TRP A 276 2.184 -4.428 2.859 1.00 0.19 O ATOM 881 CB TRP A 276 -1.228 -3.921 2.630 1.00 0.18 C ATOM 882 CG TRP A 276 -1.432 -2.487 3.017 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.511 -1.478 2.972 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.651 -1.899 3.481 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.079 -0.306 3.406 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.394 -0.538 3.718 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.935 -2.395 3.726 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.376 0.330 4.186 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.907 -1.532 4.190 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.624 -0.182 4.416 1.00 0.47 C ATOM 0 H TRP A 276 0.368 -2.909 4.460 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.492 -5.626 3.730 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.984 -3.965 1.569 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.168 -4.456 2.763 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.512 -1.587 2.644 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.601 0.592 3.484 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.163 -3.437 3.555 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.160 1.373 4.362 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.902 -1.906 4.381 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.405 0.469 4.779 1.00 0.47 H new ATOM 901 N GLU A 277 0.845 -5.439 1.365 1.00 0.12 N ATOM 902 CA GLU A 277 1.890 -5.628 0.397 1.00 0.12 C ATOM 903 C GLU A 277 1.695 -4.655 -0.736 1.00 0.11 C ATOM 904 O GLU A 277 0.649 -4.649 -1.352 1.00 0.12 O ATOM 905 CB GLU A 277 1.860 -7.039 -0.171 1.00 0.14 C ATOM 906 CG GLU A 277 2.375 -8.102 0.776 1.00 0.19 C ATOM 907 CD GLU A 277 2.503 -9.445 0.098 1.00 1.21 C ATOM 908 OE1 GLU A 277 1.617 -9.798 -0.706 1.00 1.55 O ATOM 909 OE2 GLU A 277 3.503 -10.145 0.342 1.00 2.07 O ATOM 0 H GLU A 277 -0.064 -5.806 1.083 1.00 0.12 H new ATOM 0 HA GLU A 277 2.848 -5.464 0.891 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.835 -7.284 -0.451 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.455 -7.063 -1.084 1.00 0.14 H new ATOM 0 HG2 GLU A 277 3.346 -7.799 1.168 1.00 0.19 H new ATOM 0 HG3 GLU A 277 1.700 -8.188 1.627 1.00 0.19 H new ATOM 916 N GLY A 278 2.704 -3.881 -1.043 1.00 0.13 N ATOM 917 CA GLY A 278 2.567 -2.896 -2.087 1.00 0.12 C ATOM 918 C GLY A 278 3.104 -3.395 -3.392 1.00 0.12 C ATOM 919 O GLY A 278 3.798 -4.410 -3.443 1.00 0.15 O ATOM 0 H GLY A 278 3.619 -3.911 -0.592 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.516 -2.632 -2.203 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.094 -1.986 -1.800 1.00 0.12 H new ATOM 923 N GLU A 279 2.776 -2.689 -4.444 1.00 0.11 N ATOM 924 CA GLU A 279 3.376 -2.929 -5.728 1.00 0.14 C ATOM 925 C GLU A 279 3.600 -1.580 -6.398 1.00 0.17 C ATOM 926 O GLU A 279 2.653 -0.841 -6.657 1.00 0.20 O ATOM 927 CB GLU A 279 2.464 -3.849 -6.556 1.00 0.20 C ATOM 928 CG GLU A 279 3.057 -4.315 -7.874 1.00 0.31 C ATOM 929 CD GLU A 279 2.766 -3.362 -9.016 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.637 -3.396 -9.553 1.00 1.27 O ATOM 931 OE2 GLU A 279 3.656 -2.573 -9.379 1.00 2.07 O ATOM 0 H GLU A 279 2.089 -1.935 -4.433 1.00 0.11 H new ATOM 0 HA GLU A 279 4.337 -3.435 -5.633 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.214 -4.724 -5.957 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.530 -3.324 -6.759 1.00 0.20 H new ATOM 0 HG2 GLU A 279 4.136 -4.425 -7.764 1.00 0.31 H new ATOM 0 HG3 GLU A 279 2.660 -5.300 -8.118 1.00 0.31 H new ATOM 938 N CYS A 280 4.856 -1.256 -6.649 1.00 0.20 N ATOM 939 CA CYS A 280 5.204 0.052 -7.200 1.00 0.27 C ATOM 940 C CYS A 280 5.714 -0.056 -8.616 1.00 0.29 C ATOM 941 O CYS A 280 6.927 -0.126 -8.817 1.00 0.33 O ATOM 942 CB CYS A 280 6.331 0.679 -6.383 1.00 0.39 C ATOM 943 SG CYS A 280 6.203 2.462 -6.167 1.00 0.51 S ATOM 0 H CYS A 280 5.651 -1.873 -6.483 1.00 0.20 H new ATOM 0 HA CYS A 280 4.296 0.654 -7.172 1.00 0.27 H new ATOM 0 HB2 CYS A 280 6.354 0.209 -5.400 1.00 0.39 H new ATOM 0 HB3 CYS A 280 7.281 0.453 -6.867 1.00 0.39 H new ATOM 0 HG CYS A 280 4.955 2.792 -6.015 1.00 0.51 H new ATOM 949 N ASN A 281 4.818 0.030 -9.589 1.00 0.37 N ATOM 950 CA ASN A 281 5.199 -0.087 -10.993 1.00 0.49 C ATOM 951 C ASN A 281 6.287 -1.148 -11.172 1.00 0.45 C ATOM 952 O ASN A 281 7.257 -0.955 -11.906 1.00 0.53 O ATOM 953 CB ASN A 281 5.648 1.272 -11.531 1.00 0.63 C ATOM 954 CG ASN A 281 4.470 2.119 -11.977 1.00 0.80 C ATOM 955 OD1 ASN A 281 4.138 2.157 -13.163 1.00 1.44 O ATOM 956 ND2 ASN A 281 3.805 2.775 -11.035 1.00 0.97 N ATOM 0 H ASN A 281 3.821 0.180 -9.434 1.00 0.37 H new ATOM 0 HA ASN A 281 4.331 -0.409 -11.569 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.205 1.802 -10.759 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.328 1.124 -12.370 1.00 0.63 H new ATOM 0 HD21 ASN A 281 2.989 3.335 -11.283 1.00 0.97 H new ATOM 0 HD22 ASN A 281 4.110 2.720 -10.063 1.00 0.97 H new ATOM 963 N GLY A 282 6.098 -2.274 -10.492 1.00 0.37 N ATOM 964 CA GLY A 282 7.027 -3.370 -10.566 1.00 0.39 C ATOM 965 C GLY A 282 7.901 -3.576 -9.335 1.00 0.34 C ATOM 966 O GLY A 282 8.721 -4.497 -9.315 1.00 0.46 O ATOM 0 H GLY A 282 5.299 -2.441 -9.881 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.466 -4.287 -10.749 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.676 -3.216 -11.428 1.00 0.39 H new ATOM 970 N LYS A 283 7.759 -2.750 -8.307 1.00 0.25 N ATOM 971 CA LYS A 283 8.266 -3.131 -6.997 1.00 0.23 C ATOM 972 C LYS A 283 7.161 -3.871 -6.277 1.00 0.14 C ATOM 973 O LYS A 283 5.992 -3.586 -6.492 1.00 0.17 O ATOM 974 CB LYS A 283 8.704 -1.937 -6.128 1.00 0.33 C ATOM 975 CG LYS A 283 9.052 -0.693 -6.904 1.00 0.74 C ATOM 976 CD LYS A 283 10.344 -0.856 -7.634 1.00 0.61 C ATOM 977 CE LYS A 283 10.802 0.444 -8.269 1.00 1.28 C ATOM 978 NZ LYS A 283 9.876 0.903 -9.335 1.00 1.93 N ATOM 0 H LYS A 283 7.309 -1.836 -8.351 1.00 0.25 H new ATOM 0 HA LYS A 283 9.154 -3.743 -7.154 1.00 0.23 H new ATOM 0 HB2 LYS A 283 7.903 -1.701 -5.428 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.569 -2.234 -5.535 1.00 0.33 H new ATOM 0 HG2 LYS A 283 8.256 -0.469 -7.614 1.00 0.74 H new ATOM 0 HG3 LYS A 283 9.120 0.156 -6.224 1.00 0.74 H new ATOM 0 HD2 LYS A 283 11.109 -1.212 -6.944 1.00 0.61 H new ATOM 0 HD3 LYS A 283 10.232 -1.617 -8.406 1.00 0.61 H new ATOM 0 HE2 LYS A 283 10.880 1.214 -7.501 1.00 1.28 H new ATOM 0 HE3 LYS A 283 11.799 0.310 -8.689 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 10.380 0.932 -10.244 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 9.073 0.245 -9.405 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 9.525 1.854 -9.104 1.00 1.93 H new ATOM 992 N ARG A 284 7.526 -4.808 -5.442 1.00 0.16 N ATOM 993 CA ARG A 284 6.569 -5.522 -4.627 1.00 0.12 C ATOM 994 C ARG A 284 7.093 -5.505 -3.200 1.00 0.13 C ATOM 995 O ARG A 284 8.174 -4.985 -2.979 1.00 0.20 O ATOM 996 CB ARG A 284 6.398 -6.952 -5.146 1.00 0.18 C ATOM 997 CG ARG A 284 5.445 -7.812 -4.331 1.00 0.21 C ATOM 998 CD ARG A 284 3.993 -7.421 -4.524 1.00 0.26 C ATOM 999 NE ARG A 284 3.110 -8.231 -3.684 1.00 0.41 N ATOM 1000 CZ ARG A 284 2.125 -8.995 -4.157 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.933 -9.105 -5.465 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.346 -9.664 -3.319 1.00 0.67 N ATOM 0 H ARG A 284 8.494 -5.100 -5.305 1.00 0.16 H new ATOM 0 HA ARG A 284 5.587 -5.051 -4.666 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.040 -6.911 -6.175 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.375 -7.436 -5.168 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.576 -8.857 -4.611 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.702 -7.730 -3.275 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.863 -6.366 -4.282 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.717 -7.544 -5.571 1.00 0.26 H new ATOM 0 HE ARG A 284 3.257 -8.210 -2.675 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.540 -8.604 -6.114 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.178 -9.691 -5.822 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.500 -9.594 -2.313 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.592 -10.249 -3.680 1.00 0.67 H new ATOM 1016 N GLY A 285 6.319 -5.979 -2.238 1.00 0.14 N ATOM 1017 CA GLY A 285 6.831 -6.146 -0.893 1.00 0.18 C ATOM 1018 C GLY A 285 5.742 -5.936 0.114 1.00 0.14 C ATOM 1019 O GLY A 285 4.582 -6.023 -0.238 1.00 0.15 O ATOM 0 H GLY A 285 5.344 -6.252 -2.363 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.251 -7.145 -0.779 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.640 -5.438 -0.715 1.00 0.18 H new ATOM 1023 N HIS A 286 6.098 -5.642 1.349 1.00 0.15 N ATOM 1024 CA HIS A 286 5.106 -5.318 2.364 1.00 0.13 C ATOM 1025 C HIS A 286 5.630 -4.243 3.316 1.00 0.15 C ATOM 1026 O HIS A 286 6.791 -4.278 3.724 1.00 0.20 O ATOM 1027 CB HIS A 286 4.662 -6.582 3.125 1.00 0.18 C ATOM 1028 CG HIS A 286 5.780 -7.468 3.599 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.728 -8.845 3.574 1.00 0.75 N ATOM 1030 CD2 HIS A 286 6.979 -7.158 4.117 1.00 0.67 C ATOM 1031 CE1 HIS A 286 6.855 -9.335 4.059 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.636 -8.330 4.402 1.00 0.52 N ATOM 0 H HIS A 286 7.064 -5.620 1.677 1.00 0.15 H new ATOM 0 HA HIS A 286 4.227 -4.912 1.863 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.070 -6.278 3.988 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.007 -7.165 2.478 1.00 0.18 H new ATOM 0 HD2 HIS A 286 7.360 -6.161 4.281 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.096 -10.383 4.158 1.00 0.65 H new ATOM 0 HE2 HIS A 286 8.568 -8.409 4.809 1.00 0.52 H new ATOM 1041 N PHE A 287 4.774 -3.280 3.636 1.00 0.14 N ATOM 1042 CA PHE A 287 5.141 -2.163 4.503 1.00 0.17 C ATOM 1043 C PHE A 287 3.929 -1.685 5.303 1.00 0.20 C ATOM 1044 O PHE A 287 2.797 -1.768 4.828 1.00 0.29 O ATOM 1045 CB PHE A 287 5.736 -1.008 3.684 1.00 0.20 C ATOM 1046 CG PHE A 287 7.192 -1.177 3.368 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.134 -1.170 4.384 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.620 -1.333 2.063 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.476 -1.316 4.102 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.961 -1.478 1.777 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.889 -1.470 2.797 1.00 0.30 C ATOM 0 H PHE A 287 3.810 -3.250 3.304 1.00 0.14 H new ATOM 0 HA PHE A 287 5.902 -2.511 5.202 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.180 -0.912 2.751 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.599 -0.077 4.234 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.814 -1.049 5.408 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.898 -1.341 1.260 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.201 -1.310 4.902 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.285 -1.598 0.754 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.939 -1.584 2.573 1.00 0.30 H new ATOM 1061 N PRO A 288 4.158 -1.187 6.531 1.00 0.22 N ATOM 1062 CA PRO A 288 3.079 -0.784 7.443 1.00 0.26 C ATOM 1063 C PRO A 288 2.431 0.559 7.091 1.00 0.24 C ATOM 1064 O PRO A 288 2.992 1.373 6.348 1.00 0.28 O ATOM 1065 CB PRO A 288 3.789 -0.692 8.792 1.00 0.33 C ATOM 1066 CG PRO A 288 5.194 -0.335 8.455 1.00 0.54 C ATOM 1067 CD PRO A 288 5.491 -0.996 7.136 1.00 0.32 C ATOM 0 HA PRO A 288 2.250 -1.491 7.408 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.331 0.063 9.430 1.00 0.33 H new ATOM 0 HB3 PRO A 288 3.739 -1.638 9.331 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.315 0.746 8.384 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.880 -0.683 9.228 1.00 0.54 H new ATOM 0 HD2 PRO A 288 6.129 -0.372 6.510 1.00 0.32 H new ATOM 0 HD3 PRO A 288 6.009 -1.946 7.272 1.00 0.32 H new ATOM 1075 N PHE A 289 1.250 0.778 7.669 1.00 0.31 N ATOM 1076 CA PHE A 289 0.454 1.986 7.449 1.00 0.37 C ATOM 1077 C PHE A 289 1.056 3.186 8.185 1.00 0.33 C ATOM 1078 O PHE A 289 0.655 4.330 7.972 1.00 0.39 O ATOM 1079 CB PHE A 289 -0.973 1.743 7.960 1.00 0.60 C ATOM 1080 CG PHE A 289 -1.982 2.755 7.494 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.577 2.622 6.257 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -2.339 3.830 8.294 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -3.508 3.539 5.817 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -3.272 4.753 7.858 1.00 1.12 C ATOM 1085 CZ PHE A 289 -3.857 4.606 6.616 1.00 0.50 C ATOM 0 H PHE A 289 0.814 0.115 8.310 1.00 0.31 H new ATOM 0 HA PHE A 289 0.446 2.207 6.382 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.296 0.752 7.640 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -0.959 1.737 9.050 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -2.310 1.788 5.624 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -1.884 3.947 9.267 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -3.964 3.421 4.845 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -3.543 5.587 8.488 1.00 1.12 H new ATOM 0 HZ PHE A 289 -4.586 5.325 6.272 1.00 0.50 H new ATOM 1095 N THR A 290 2.047 2.912 9.020 1.00 0.33 N ATOM 1096 CA THR A 290 2.548 3.862 9.997 1.00 0.41 C ATOM 1097 C THR A 290 3.218 5.095 9.377 1.00 0.38 C ATOM 1098 O THR A 290 3.585 6.028 10.091 1.00 0.57 O ATOM 1099 CB THR A 290 3.548 3.148 10.922 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.658 2.658 10.159 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.881 1.980 11.633 1.00 0.61 C ATOM 0 H THR A 290 2.530 2.014 9.037 1.00 0.33 H new ATOM 0 HA THR A 290 1.684 4.229 10.551 1.00 0.41 H new ATOM 0 HB THR A 290 3.898 3.866 11.664 1.00 0.51 H new ATOM 0 HG1 THR A 290 5.291 2.206 10.755 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.605 1.488 12.283 1.00 0.61 H new ATOM 0 HG22 THR A 290 2.047 2.347 12.231 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.512 1.267 10.895 1.00 0.61 H new ATOM 1109 N HIS A 291 3.366 5.109 8.058 1.00 0.25 N ATOM 1110 CA HIS A 291 4.045 6.206 7.379 1.00 0.26 C ATOM 1111 C HIS A 291 3.617 6.269 5.921 1.00 0.23 C ATOM 1112 O HIS A 291 4.411 6.579 5.029 1.00 0.26 O ATOM 1113 CB HIS A 291 5.572 6.062 7.490 1.00 0.35 C ATOM 1114 CG HIS A 291 6.078 4.662 7.305 1.00 0.40 C ATOM 1115 ND1 HIS A 291 5.802 3.897 6.194 1.00 1.01 N ATOM 1116 CD2 HIS A 291 6.840 3.886 8.110 1.00 1.26 C ATOM 1117 CE1 HIS A 291 6.370 2.713 6.326 1.00 0.72 C ATOM 1118 NE2 HIS A 291 7.005 2.679 7.477 1.00 0.88 N ATOM 0 H HIS A 291 3.026 4.374 7.438 1.00 0.25 H new ATOM 0 HA HIS A 291 3.760 7.138 7.867 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.040 6.706 6.746 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.889 6.423 8.468 1.00 0.35 H new ATOM 0 HD2 HIS A 291 7.244 4.165 9.072 1.00 1.26 H new ATOM 0 HE1 HIS A 291 6.321 1.907 5.609 1.00 0.72 H new ATOM 0 HE2 HIS A 291 7.534 1.886 7.840 1.00 0.88 H new ATOM 1127 N VAL A 292 2.353 5.950 5.688 1.00 0.21 N ATOM 1128 CA VAL A 292 1.763 6.043 4.364 1.00 0.21 C ATOM 1129 C VAL A 292 0.407 6.735 4.441 1.00 0.24 C ATOM 1130 O VAL A 292 -0.187 6.837 5.514 1.00 0.32 O ATOM 1131 CB VAL A 292 1.591 4.656 3.715 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.930 3.951 3.589 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.614 3.809 4.503 1.00 0.51 C ATOM 0 H VAL A 292 1.711 5.621 6.409 1.00 0.21 H new ATOM 0 HA VAL A 292 2.444 6.627 3.745 1.00 0.21 H new ATOM 0 HB VAL A 292 1.185 4.800 2.714 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.785 2.974 3.128 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.599 4.548 2.969 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.369 3.824 4.579 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.509 2.835 4.025 1.00 0.51 H new ATOM 0 HG22 VAL A 292 0.985 3.677 5.519 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.356 4.305 4.532 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.067 7.216 3.305 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.348 7.902 3.234 1.00 0.24 C ATOM 1145 C ARG A 293 -2.191 7.310 2.132 1.00 0.24 C ATOM 1146 O ARG A 293 -1.955 7.545 0.956 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.126 9.386 2.991 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.323 10.050 4.097 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.149 10.193 5.366 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.356 10.658 6.505 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.281 10.011 7.670 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.881 8.834 7.813 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.419 10.523 8.677 1.00 0.74 N ATOM 0 H ARG A 293 0.420 7.144 2.412 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.874 7.776 4.180 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.608 9.521 2.041 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.092 9.883 2.901 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.570 9.461 4.306 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.013 11.033 3.766 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.965 10.893 5.187 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.601 9.232 5.611 1.00 0.45 H new ATOM 0 HE ARG A 293 0.169 11.526 6.403 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.397 8.427 7.033 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.825 8.338 8.702 1.00 0.69 H new ATOM 0 HH21 ARG A 293 0.902 11.414 8.561 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.473 10.025 9.565 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.187 6.560 2.524 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.860 5.677 1.608 1.00 0.26 C ATOM 1169 C LEU A 294 -4.948 6.353 0.814 1.00 0.27 C ATOM 1170 O LEU A 294 -5.778 7.101 1.324 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.416 4.487 2.370 1.00 0.38 C ATOM 1172 CG LEU A 294 -4.845 3.297 1.540 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -3.613 2.546 1.109 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.782 2.403 2.337 1.00 1.31 C ATOM 0 H LEU A 294 -3.552 6.543 3.476 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.120 5.345 0.879 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.660 4.153 3.081 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.274 4.825 2.952 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.390 3.634 0.658 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -3.904 1.684 0.509 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -2.976 3.202 0.516 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.067 2.208 1.989 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.081 1.552 1.725 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.271 2.046 3.231 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.667 2.970 2.627 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.887 6.043 -0.454 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.850 6.429 -1.444 1.00 0.31 C ATOM 1188 C LEU A 295 -6.876 5.323 -1.603 1.00 0.36 C ATOM 1189 O LEU A 295 -7.089 4.784 -2.691 1.00 0.52 O ATOM 1190 CB LEU A 295 -5.142 6.670 -2.753 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.365 7.974 -2.857 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -3.036 7.900 -2.112 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -4.157 8.290 -4.314 1.00 0.39 C ATOM 0 H LEU A 295 -4.125 5.486 -0.841 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.357 7.343 -1.136 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -4.453 5.844 -2.929 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.881 6.645 -3.554 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.938 8.773 -2.385 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.511 8.850 -2.210 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.221 7.694 -1.058 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.425 7.103 -2.536 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.601 9.223 -4.408 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -3.595 7.483 -4.785 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -5.124 8.393 -4.806 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.445 4.987 -0.474 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.364 3.863 -0.296 1.00 0.66 C ATOM 1207 C ASP A 296 -9.429 3.746 -1.387 1.00 0.86 C ATOM 1208 O ASP A 296 -10.113 4.712 -1.719 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.035 3.977 1.074 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.194 5.413 1.541 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -10.043 6.145 0.997 1.00 1.97 O ATOM 1212 OD2 ASP A 296 -8.446 5.820 2.455 1.00 1.84 O ATOM 0 H ASP A 296 -7.282 5.503 0.390 1.00 0.55 H new ATOM 0 HA ASP A 296 -7.764 2.956 -0.367 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.016 3.504 1.032 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -8.446 3.426 1.807 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.555 2.527 -1.922 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.558 2.191 -2.935 1.00 0.87 C ATOM 1219 C GLN A 297 -11.069 0.760 -2.708 1.00 1.60 C ATOM 1220 O GLN A 297 -10.806 -0.115 -3.555 1.00 2.38 O ATOM 1221 CB GLN A 297 -9.986 2.302 -4.362 1.00 1.01 C ATOM 1222 CG GLN A 297 -9.402 3.663 -4.707 1.00 2.20 C ATOM 1223 CD GLN A 297 -10.461 4.744 -4.818 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -11.600 4.479 -5.199 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -10.093 5.970 -4.483 1.00 3.77 N ATOM 1226 OXT GLN A 297 -11.709 0.512 -1.669 1.00 2.17 O ATOM 0 H GLN A 297 -8.959 1.741 -1.662 1.00 0.62 H new ATOM 0 HA GLN A 297 -11.377 2.904 -2.837 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -9.211 1.546 -4.488 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -10.777 2.069 -5.075 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -8.678 3.947 -3.944 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -8.860 3.593 -5.650 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -9.138 6.149 -4.172 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -10.764 6.736 -4.536 1.00 3.77 H new TER 1235 GLN A 297