USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=18 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 222 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 297 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.09) USER MOD Single : A 224 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.17) USER MOD Single : A 226 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 228 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 229 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 233 ASN : amide:sc= -0.0341 K(o=-0.034,f=-1.3) USER MOD Single : A 235 GLN : amide:sc= -3.62! C(o=-3.6!,f=-10!) USER MOD Single : A 236 ASN : amide:sc= 0 X(o=0,f=-0.1) 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+ -115:sc= -0.666 (180deg=-4.23!) USER MOD Single : A 250 ASN : amide:sc= -5.17! C(o=-5.2!,f=-4.9!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -177:sc= 0.343 (180deg=0.333) USER MOD Single : A 255 THR OG1 : rot 180:sc= -2.76! USER MOD Single : A 266 LYS NZ :NH3+ -143:sc= -0.418 (180deg=-1.27!) USER MOD Single : A 268 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 LYS NZ :NH3+ 144:sc= 1.32 (180deg=-0.0716) USER MOD Single : A 271 ASN : amide:sc= -2.64 K(o=-2.6,f=-11!) USER MOD Single : A 272 MET CE :methyl 154:sc= -0.408 (180deg=-1.34!) USER MOD Single : A 273 SER OG : rot 180:sc= -0.396 USER MOD Single : A 275 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 280 CYS SG : rot 40:sc= -2.8! USER MOD Single : A 281 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 283 LYS NZ :NH3+ -124:sc=0.000717 (180deg=-0.00639) USER MOD Single : A 286 HIS : no HE2:sc= -1.49 K(o=-1.5,f=0.046) USER MOD Single : A 290 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 291 HIS : no HE2:sc= -1.94! K(o=-1.9!,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -21.703 7.824 0.773 1.00 6.89 N ATOM 2 CA GLY A 220 -21.153 6.830 1.725 1.00 6.03 C ATOM 3 C GLY A 220 -19.681 7.067 2.002 1.00 5.17 C ATOM 4 O GLY A 220 -19.167 8.150 1.716 1.00 5.52 O ATOM 0 HA2 GLY A 220 -21.711 6.876 2.660 1.00 6.03 H new ATOM 0 HA3 GLY A 220 -21.290 5.827 1.322 1.00 6.03 H new ATOM 10 N PRO A 221 -18.978 6.063 2.560 1.00 4.25 N ATOM 11 CA PRO A 221 -17.536 6.155 2.843 1.00 3.64 C ATOM 12 C PRO A 221 -16.729 6.490 1.587 1.00 3.42 C ATOM 13 O PRO A 221 -15.952 7.444 1.569 1.00 3.65 O ATOM 14 CB PRO A 221 -17.186 4.752 3.359 1.00 3.01 C ATOM 15 CG PRO A 221 -18.472 4.204 3.869 1.00 3.25 C ATOM 16 CD PRO A 221 -19.536 4.763 2.971 1.00 4.10 C ATOM 0 HA PRO A 221 -17.301 6.949 3.552 1.00 3.64 H new ATOM 0 HB2 PRO A 221 -16.778 4.128 2.564 1.00 3.01 H new ATOM 0 HB3 PRO A 221 -16.434 4.796 4.147 1.00 3.01 H new ATOM 0 HG2 PRO A 221 -18.471 3.114 3.843 1.00 3.25 H new ATOM 0 HG3 PRO A 221 -18.640 4.498 4.905 1.00 3.25 H new ATOM 0 HD2 PRO A 221 -19.722 4.115 2.114 1.00 4.10 H new ATOM 0 HD3 PRO A 221 -20.485 4.879 3.494 1.00 4.10 H new ATOM 24 N TYR A 222 -16.929 5.701 0.540 1.00 3.36 N ATOM 25 CA TYR A 222 -16.312 5.955 -0.757 1.00 3.25 C ATOM 26 C TYR A 222 -17.138 5.261 -1.827 1.00 2.52 C ATOM 27 O TYR A 222 -18.031 5.863 -2.427 1.00 2.61 O ATOM 28 CB TYR A 222 -14.867 5.448 -0.778 1.00 3.76 C ATOM 29 CG TYR A 222 -13.972 6.173 -1.761 1.00 4.63 C ATOM 30 CD1 TYR A 222 -13.949 5.801 -3.100 1.00 5.08 C ATOM 31 CD2 TYR A 222 -13.166 7.231 -1.361 1.00 5.31 C ATOM 32 CE1 TYR A 222 -13.147 6.459 -4.011 1.00 6.03 C ATOM 33 CE2 TYR A 222 -12.363 7.897 -2.268 1.00 6.23 C ATOM 34 CZ TYR A 222 -12.301 7.504 -3.541 1.00 6.52 C ATOM 35 OH TYR A 222 -11.568 8.176 -4.502 1.00 7.54 O ATOM 0 H TYR A 222 -17.520 4.870 0.564 1.00 3.36 H new ATOM 0 HA TYR A 222 -16.286 7.028 -0.948 1.00 3.25 H new ATOM 0 HB2 TYR A 222 -14.444 5.546 0.222 1.00 3.76 H new ATOM 0 HB3 TYR A 222 -14.870 4.385 -1.021 1.00 3.76 H new ATOM 0 HD1 TYR A 222 -14.570 4.983 -3.434 1.00 5.08 H new ATOM 0 HD2 TYR A 222 -13.167 7.538 -0.326 1.00 5.31 H new ATOM 0 HE1 TYR A 222 -13.161 6.188 -5.056 1.00 6.03 H new ATOM 0 HE2 TYR A 222 -11.779 8.745 -1.942 1.00 6.23 H new ATOM 0 HH TYR A 222 -11.025 8.870 -4.073 1.00 7.54 H new ATOM 45 N ALA A 223 -16.849 3.994 -2.042 1.00 2.13 N ATOM 46 CA ALA A 223 -17.688 3.145 -2.859 1.00 2.17 C ATOM 47 C ALA A 223 -18.390 2.151 -1.949 1.00 2.50 C ATOM 48 O ALA A 223 -19.591 1.904 -2.053 1.00 3.04 O ATOM 49 CB ALA A 223 -16.841 2.436 -3.896 1.00 2.26 C ATOM 0 H ALA A 223 -16.029 3.526 -1.656 1.00 2.13 H new ATOM 0 HA ALA A 223 -18.436 3.736 -3.388 1.00 2.17 H new ATOM 0 HB1 ALA A 223 -17.476 1.797 -4.510 1.00 2.26 H new ATOM 0 HB2 ALA A 223 -16.348 3.174 -4.529 1.00 2.26 H new ATOM 0 HB3 ALA A 223 -16.088 1.826 -3.396 1.00 2.26 H new ATOM 55 N GLN A 224 -17.605 1.612 -1.036 1.00 2.41 N ATOM 56 CA GLN A 224 -18.074 0.739 0.020 1.00 2.84 C ATOM 57 C GLN A 224 -17.453 1.226 1.318 1.00 2.61 C ATOM 58 O GLN A 224 -16.655 2.165 1.288 1.00 2.25 O ATOM 59 CB GLN A 224 -17.664 -0.711 -0.243 1.00 3.26 C ATOM 60 CG GLN A 224 -18.428 -1.388 -1.367 1.00 3.94 C ATOM 61 CD GLN A 224 -17.993 -2.828 -1.576 1.00 4.73 C ATOM 62 OE1 GLN A 224 -18.024 -3.341 -2.693 1.00 5.34 O ATOM 63 NE2 GLN A 224 -17.589 -3.499 -0.504 1.00 5.07 N ATOM 0 H GLN A 224 -16.598 1.774 -1.009 1.00 2.41 H new ATOM 0 HA GLN A 224 -19.162 0.766 0.071 1.00 2.84 H new ATOM 0 HB2 GLN A 224 -16.600 -0.738 -0.477 1.00 3.26 H new ATOM 0 HB3 GLN A 224 -17.804 -1.286 0.672 1.00 3.26 H new ATOM 0 HG2 GLN A 224 -19.495 -1.362 -1.145 1.00 3.94 H new ATOM 0 HG3 GLN A 224 -18.281 -0.829 -2.291 1.00 3.94 H new ATOM 0 HE21 GLN A 224 -17.576 -3.043 0.408 1.00 5.07 H new ATOM 0 HE22 GLN A 224 -17.292 -4.471 -0.593 1.00 5.07 H new ATOM 72 N PRO A 225 -17.833 0.660 2.476 1.00 3.00 N ATOM 73 CA PRO A 225 -17.148 0.939 3.734 1.00 2.88 C ATOM 74 C PRO A 225 -15.632 0.861 3.563 1.00 2.43 C ATOM 75 O PRO A 225 -15.113 -0.092 2.973 1.00 2.62 O ATOM 76 CB PRO A 225 -17.657 -0.152 4.686 1.00 3.40 C ATOM 77 CG PRO A 225 -18.476 -1.081 3.847 1.00 4.04 C ATOM 78 CD PRO A 225 -18.943 -0.274 2.671 1.00 3.72 C ATOM 0 HA PRO A 225 -17.350 1.943 4.107 1.00 2.88 H new ATOM 0 HB2 PRO A 225 -16.826 -0.679 5.155 1.00 3.40 H new ATOM 0 HB3 PRO A 225 -18.255 0.279 5.489 1.00 3.40 H new ATOM 0 HG2 PRO A 225 -17.885 -1.937 3.522 1.00 4.04 H new ATOM 0 HG3 PRO A 225 -19.322 -1.473 4.412 1.00 4.04 H new ATOM 0 HD2 PRO A 225 -19.111 -0.896 1.792 1.00 3.72 H new ATOM 0 HD3 PRO A 225 -19.879 0.244 2.879 1.00 3.72 H new ATOM 86 N SER A 226 -14.939 1.873 4.068 1.00 2.20 N ATOM 87 CA SER A 226 -13.509 2.042 3.834 1.00 2.08 C ATOM 88 C SER A 226 -12.696 0.827 4.293 1.00 1.74 C ATOM 89 O SER A 226 -13.156 0.034 5.121 1.00 1.98 O ATOM 90 CB SER A 226 -13.040 3.309 4.547 1.00 2.61 C ATOM 91 OG SER A 226 -13.659 3.429 5.822 1.00 3.08 O ATOM 0 H SER A 226 -15.352 2.601 4.652 1.00 2.20 H new ATOM 0 HA SER A 226 -13.344 2.134 2.761 1.00 2.08 H new ATOM 0 HB2 SER A 226 -11.957 3.286 4.664 1.00 2.61 H new ATOM 0 HB3 SER A 226 -13.276 4.182 3.939 1.00 2.61 H new ATOM 0 HG SER A 226 -13.344 4.246 6.263 1.00 3.08 H new ATOM 97 N ILE A 227 -11.482 0.696 3.756 1.00 1.37 N ATOM 98 CA ILE A 227 -10.639 -0.465 4.032 1.00 1.12 C ATOM 99 C ILE A 227 -10.118 -0.429 5.470 1.00 1.27 C ATOM 100 O ILE A 227 -9.058 0.136 5.759 1.00 1.47 O ATOM 101 CB ILE A 227 -9.455 -0.604 3.024 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.975 -0.831 1.596 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.542 -1.758 3.421 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.483 0.420 0.909 1.00 1.47 C ATOM 0 H ILE A 227 -11.062 1.381 3.127 1.00 1.37 H new ATOM 0 HA ILE A 227 -11.269 -1.345 3.905 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.887 0.326 3.050 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -9.174 -1.261 0.995 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -10.780 -1.566 1.628 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.724 -1.837 2.705 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.137 -1.576 4.416 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -9.111 -2.687 3.425 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -10.831 0.169 -0.093 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -11.307 0.842 1.484 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.677 1.151 0.841 1.00 1.47 H new ATOM 116 N ASN A 228 -10.909 -1.004 6.367 1.00 1.52 N ATOM 117 CA ASN A 228 -10.566 -1.098 7.778 1.00 1.82 C ATOM 118 C ASN A 228 -11.135 -2.392 8.356 1.00 1.80 C ATOM 119 O ASN A 228 -12.346 -2.616 8.303 1.00 2.07 O ATOM 120 CB ASN A 228 -11.116 0.113 8.538 1.00 2.42 C ATOM 121 CG ASN A 228 -10.810 0.074 10.024 1.00 3.09 C ATOM 122 OD1 ASN A 228 -9.789 -0.463 10.458 1.00 3.44 O ATOM 123 ND2 ASN A 228 -11.700 0.647 10.817 1.00 3.83 N ATOM 0 H ASN A 228 -11.811 -1.420 6.134 1.00 1.52 H new ATOM 0 HA ASN A 228 -9.481 -1.107 7.885 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -10.696 1.024 8.111 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -12.196 0.163 8.397 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -11.553 0.655 11.826 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -12.533 1.081 10.419 1.00 3.83 H new ATOM 130 N THR A 229 -10.246 -3.235 8.886 1.00 1.66 N ATOM 131 CA THR A 229 -10.598 -4.562 9.417 1.00 1.67 C ATOM 132 C THR A 229 -10.893 -5.638 8.318 1.00 1.68 C ATOM 133 O THR A 229 -11.457 -6.684 8.637 1.00 2.22 O ATOM 134 CB THR A 229 -11.819 -4.472 10.372 1.00 1.80 C ATOM 135 OG1 THR A 229 -11.727 -3.294 11.190 1.00 1.91 O ATOM 136 CG2 THR A 229 -11.904 -5.690 11.285 1.00 1.88 C ATOM 0 H THR A 229 -9.252 -3.018 8.961 1.00 1.66 H new ATOM 0 HA THR A 229 -9.710 -4.891 9.957 1.00 1.67 H new ATOM 0 HB THR A 229 -12.713 -4.430 9.750 1.00 1.80 H new ATOM 0 HG1 THR A 229 -12.503 -3.248 11.786 1.00 1.91 H new ATOM 0 HG21 THR A 229 -12.770 -5.594 11.940 1.00 1.88 H new ATOM 0 HG22 THR A 229 -12.004 -6.591 10.681 1.00 1.88 H new ATOM 0 HG23 THR A 229 -10.998 -5.757 11.888 1.00 1.88 H new ATOM 144 N PRO A 230 -10.503 -5.468 7.026 1.00 1.34 N ATOM 145 CA PRO A 230 -10.857 -6.428 5.995 1.00 1.46 C ATOM 146 C PRO A 230 -9.742 -7.424 5.678 1.00 1.44 C ATOM 147 O PRO A 230 -8.562 -7.168 5.929 1.00 1.32 O ATOM 148 CB PRO A 230 -11.096 -5.516 4.797 1.00 1.46 C ATOM 149 CG PRO A 230 -10.135 -4.383 4.979 1.00 1.48 C ATOM 150 CD PRO A 230 -9.707 -4.385 6.431 1.00 1.35 C ATOM 0 HA PRO A 230 -11.699 -7.055 6.287 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -10.915 -6.041 3.859 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.126 -5.160 4.770 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -9.272 -4.502 4.324 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -10.605 -3.435 4.718 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -8.638 -4.571 6.533 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -9.911 -3.428 6.910 1.00 1.35 H new ATOM 158 N LEU A 231 -10.132 -8.570 5.151 1.00 1.78 N ATOM 159 CA LEU A 231 -9.184 -9.490 4.549 1.00 1.82 C ATOM 160 C LEU A 231 -8.952 -9.049 3.107 1.00 1.52 C ATOM 161 O LEU A 231 -9.738 -8.253 2.582 1.00 1.52 O ATOM 162 CB LEU A 231 -9.720 -10.928 4.595 1.00 2.34 C ATOM 163 CG LEU A 231 -9.954 -11.494 5.998 1.00 2.79 C ATOM 164 CD1 LEU A 231 -10.537 -12.894 5.912 1.00 3.30 C ATOM 165 CD2 LEU A 231 -8.656 -11.508 6.795 1.00 3.42 C ATOM 0 H LEU A 231 -11.101 -8.887 5.128 1.00 1.78 H new ATOM 0 HA LEU A 231 -8.245 -9.475 5.102 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -10.660 -10.966 4.044 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -9.018 -11.577 4.072 1.00 2.34 H new ATOM 0 HG LEU A 231 -10.666 -10.850 6.514 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -10.698 -13.283 6.917 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -11.487 -12.860 5.379 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -9.845 -13.544 5.378 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -8.844 -11.914 7.789 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -7.921 -12.129 6.283 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -8.273 -10.491 6.884 1.00 3.42 H new ATOM 177 N PRO A 232 -7.885 -9.529 2.441 1.00 1.40 N ATOM 178 CA PRO A 232 -7.617 -9.166 1.047 1.00 1.28 C ATOM 179 C PRO A 232 -8.833 -9.428 0.164 1.00 1.55 C ATOM 180 O PRO A 232 -9.358 -10.544 0.130 1.00 1.84 O ATOM 181 CB PRO A 232 -6.456 -10.084 0.655 1.00 1.40 C ATOM 182 CG PRO A 232 -5.775 -10.405 1.940 1.00 1.45 C ATOM 183 CD PRO A 232 -6.849 -10.418 2.994 1.00 1.54 C ATOM 0 HA PRO A 232 -7.387 -8.108 0.926 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -6.815 -10.987 0.161 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.777 -9.589 -0.040 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -5.273 -11.371 1.884 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -5.011 -9.662 2.172 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -7.232 -11.424 3.164 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -6.476 -10.053 3.951 1.00 1.54 H new ATOM 191 N ASN A 233 -9.275 -8.395 -0.547 1.00 1.58 N ATOM 192 CA ASN A 233 -10.505 -8.478 -1.326 1.00 2.01 C ATOM 193 C ASN A 233 -10.619 -7.294 -2.294 1.00 1.76 C ATOM 194 O ASN A 233 -10.014 -7.330 -3.365 1.00 2.31 O ATOM 195 CB ASN A 233 -11.720 -8.547 -0.386 1.00 2.67 C ATOM 196 CG ASN A 233 -13.020 -8.826 -1.114 1.00 3.38 C ATOM 197 OD1 ASN A 233 -13.039 -9.515 -2.133 1.00 3.96 O ATOM 198 ND2 ASN A 233 -14.113 -8.293 -0.594 1.00 3.82 N ATOM 0 H ASN A 233 -8.801 -7.493 -0.600 1.00 1.58 H new ATOM 0 HA ASN A 233 -10.481 -9.389 -1.924 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -11.553 -9.326 0.358 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -11.808 -7.604 0.154 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -15.017 -8.447 -1.040 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -14.052 -7.728 0.253 1.00 3.82 H new ATOM 205 N LEU A 234 -11.364 -6.247 -1.892 1.00 1.61 N ATOM 206 CA LEU A 234 -11.593 -5.044 -2.682 1.00 1.90 C ATOM 207 C LEU A 234 -12.840 -4.370 -2.157 1.00 1.69 C ATOM 208 O LEU A 234 -13.832 -5.023 -1.836 1.00 1.91 O ATOM 209 CB LEU A 234 -11.698 -5.266 -4.216 1.00 2.77 C ATOM 210 CG LEU A 234 -12.984 -5.888 -4.821 1.00 3.77 C ATOM 211 CD1 LEU A 234 -13.492 -7.074 -4.025 1.00 4.30 C ATOM 212 CD2 LEU A 234 -14.081 -4.844 -4.997 1.00 4.49 C ATOM 0 H LEU A 234 -11.830 -6.223 -0.985 1.00 1.61 H new ATOM 0 HA LEU A 234 -10.710 -4.416 -2.564 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -11.549 -4.298 -4.695 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -10.861 -5.900 -4.510 1.00 2.77 H new ATOM 0 HG LEU A 234 -12.706 -6.262 -5.806 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -14.393 -7.468 -4.495 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -12.727 -7.850 -4.000 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -13.722 -6.758 -3.008 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -14.967 -5.315 -5.423 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -14.331 -4.412 -4.028 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -13.731 -4.058 -5.666 1.00 4.49 H new ATOM 224 N GLN A 235 -12.758 -3.083 -2.006 1.00 1.58 N ATOM 225 CA GLN A 235 -13.879 -2.300 -1.551 1.00 1.78 C ATOM 226 C GLN A 235 -14.511 -1.587 -2.749 1.00 1.59 C ATOM 227 O GLN A 235 -15.714 -1.353 -2.797 1.00 1.97 O ATOM 228 CB GLN A 235 -13.355 -1.389 -0.448 1.00 2.17 C ATOM 229 CG GLN A 235 -14.199 -0.163 -0.109 1.00 2.56 C ATOM 230 CD GLN A 235 -14.021 0.991 -1.074 1.00 3.18 C ATOM 231 OE1 GLN A 235 -14.937 1.779 -1.292 1.00 3.71 O ATOM 232 NE2 GLN A 235 -12.839 1.108 -1.642 1.00 3.72 N ATOM 0 H GLN A 235 -11.915 -2.541 -2.193 1.00 1.58 H new ATOM 0 HA GLN A 235 -14.687 -2.893 -1.124 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -13.241 -1.984 0.458 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -12.360 -1.048 -0.733 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -15.250 -0.451 -0.092 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -13.945 0.174 0.896 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -12.104 0.432 -1.434 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -12.658 1.875 -2.290 1.00 3.72 H new ATOM 241 N ASN A 236 -13.673 -1.260 -3.716 1.00 1.40 N ATOM 242 CA ASN A 236 -14.125 -0.877 -5.048 1.00 1.65 C ATOM 243 C ASN A 236 -13.219 -1.559 -6.057 1.00 1.69 C ATOM 244 O ASN A 236 -13.670 -2.082 -7.078 1.00 2.36 O ATOM 245 CB ASN A 236 -14.109 0.642 -5.237 1.00 2.09 C ATOM 246 CG ASN A 236 -14.337 1.067 -6.677 1.00 2.95 C ATOM 247 OD1 ASN A 236 -13.395 1.203 -7.460 1.00 3.67 O ATOM 248 ND2 ASN A 236 -15.591 1.278 -7.043 1.00 3.34 N ATOM 0 H ASN A 236 -12.659 -1.251 -3.604 1.00 1.40 H new ATOM 0 HA ASN A 236 -15.159 -1.193 -5.189 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -14.878 1.088 -4.607 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -13.151 1.034 -4.896 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -15.802 1.563 -7.999 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -16.347 1.156 -6.369 1.00 3.34 H new ATOM 255 N GLY A 237 -11.930 -1.542 -5.753 1.00 1.32 N ATOM 256 CA GLY A 237 -10.994 -2.418 -6.408 1.00 1.67 C ATOM 257 C GLY A 237 -9.655 -2.366 -5.715 1.00 1.38 C ATOM 258 O GLY A 237 -9.489 -2.916 -4.623 1.00 1.70 O ATOM 0 H GLY A 237 -11.516 -0.926 -5.053 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -11.375 -3.439 -6.401 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -10.882 -2.126 -7.452 1.00 1.67 H new ATOM 262 N PRO A 238 -8.696 -1.683 -6.321 1.00 0.90 N ATOM 263 CA PRO A 238 -7.385 -1.433 -5.743 1.00 0.65 C ATOM 264 C PRO A 238 -7.354 -0.115 -5.010 1.00 0.50 C ATOM 265 O PRO A 238 -8.275 0.684 -5.127 1.00 0.76 O ATOM 266 CB PRO A 238 -6.526 -1.299 -6.978 1.00 0.65 C ATOM 267 CG PRO A 238 -7.414 -0.548 -7.905 1.00 0.96 C ATOM 268 CD PRO A 238 -8.803 -1.074 -7.659 1.00 0.88 C ATOM 0 HA PRO A 238 -7.081 -2.202 -5.033 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.602 -0.758 -6.773 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -6.244 -2.270 -7.384 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -7.362 0.524 -7.714 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -7.116 -0.701 -8.942 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -9.546 -0.277 -7.681 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -9.097 -1.805 -8.412 1.00 0.88 H new ATOM 276 N PHE A 239 -6.320 0.116 -4.248 1.00 0.37 N ATOM 277 CA PHE A 239 -6.039 1.468 -3.842 1.00 0.28 C ATOM 278 C PHE A 239 -4.569 1.759 -3.958 1.00 0.27 C ATOM 279 O PHE A 239 -3.768 0.898 -4.322 1.00 0.51 O ATOM 280 CB PHE A 239 -6.551 1.767 -2.430 1.00 0.34 C ATOM 281 CG PHE A 239 -6.239 0.701 -1.453 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.940 0.430 -1.080 1.00 0.35 C ATOM 283 CD2 PHE A 239 -7.263 -0.029 -0.910 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.676 -0.555 -0.170 1.00 0.35 C ATOM 285 CE2 PHE A 239 -7.004 -1.021 0.003 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.707 -1.284 0.372 1.00 0.73 C ATOM 0 H PHE A 239 -5.673 -0.592 -3.902 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.579 2.130 -4.519 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -6.115 2.705 -2.085 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.631 1.911 -2.466 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -4.128 0.998 -1.508 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -8.282 0.177 -1.202 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.657 -0.760 0.123 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.816 -1.592 0.429 1.00 1.09 H new ATOM 0 HZ PHE A 239 -5.498 -2.064 1.089 1.00 0.73 H new ATOM 296 N TYR A 240 -4.236 2.975 -3.639 1.00 0.16 N ATOM 297 CA TYR A 240 -2.895 3.465 -3.761 1.00 0.21 C ATOM 298 C TYR A 240 -2.504 4.009 -2.417 1.00 0.21 C ATOM 299 O TYR A 240 -3.369 4.287 -1.611 1.00 0.36 O ATOM 300 CB TYR A 240 -2.843 4.555 -4.832 1.00 0.25 C ATOM 301 CG TYR A 240 -3.466 4.116 -6.135 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.847 3.159 -6.914 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.676 4.639 -6.573 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.408 2.723 -8.094 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.248 4.213 -7.758 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.607 3.253 -8.515 1.00 0.45 C ATOM 307 OH TYR A 240 -5.173 2.807 -9.689 1.00 0.59 O ATOM 0 H TYR A 240 -4.898 3.664 -3.282 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.205 2.677 -4.062 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.359 5.443 -4.467 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.805 4.839 -5.007 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -1.904 2.744 -6.592 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -5.177 5.389 -5.980 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -2.910 1.969 -8.686 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -6.189 4.628 -8.088 1.00 0.46 H new ATOM 0 HH TYR A 240 -6.018 3.279 -9.845 1.00 0.59 H new ATOM 317 N ALA A 241 -1.239 4.120 -2.138 1.00 0.17 N ATOM 318 CA ALA A 241 -0.830 4.730 -0.895 1.00 0.19 C ATOM 319 C ALA A 241 0.380 5.601 -1.121 1.00 0.15 C ATOM 320 O ALA A 241 1.389 5.152 -1.670 1.00 0.19 O ATOM 321 CB ALA A 241 -0.543 3.686 0.164 1.00 0.35 C ATOM 0 H ALA A 241 -0.478 3.804 -2.740 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.651 5.349 -0.534 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.238 4.179 1.087 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.442 3.097 0.347 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.257 3.030 -0.179 1.00 0.35 H new ATOM 327 N ARG A 242 0.269 6.843 -0.715 1.00 0.16 N ATOM 328 CA ARG A 242 1.362 7.770 -0.821 1.00 0.16 C ATOM 329 C ARG A 242 2.346 7.499 0.290 1.00 0.14 C ATOM 330 O ARG A 242 2.081 7.788 1.455 1.00 0.23 O ATOM 331 CB ARG A 242 0.874 9.222 -0.726 1.00 0.29 C ATOM 332 CG ARG A 242 2.005 10.247 -0.685 1.00 0.33 C ATOM 333 CD ARG A 242 2.456 10.644 -2.082 1.00 0.79 C ATOM 334 NE ARG A 242 1.380 11.279 -2.841 1.00 1.19 N ATOM 335 CZ ARG A 242 1.480 11.648 -4.117 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.621 11.492 -4.779 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.432 12.185 -4.725 1.00 2.05 N ATOM 0 H ARG A 242 -0.578 7.235 -0.304 1.00 0.16 H new ATOM 0 HA ARG A 242 1.837 7.635 -1.793 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.231 9.437 -1.580 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.262 9.333 0.169 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.673 11.133 -0.144 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.850 9.835 -0.133 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.302 11.327 -2.010 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.805 9.760 -2.616 1.00 0.79 H new ATOM 0 HE ARG A 242 0.496 11.451 -2.363 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.431 11.086 -4.310 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.687 11.778 -5.756 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.443 12.313 -4.216 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.500 12.470 -5.702 1.00 2.05 H new ATOM 351 N VAL A 243 3.455 6.901 -0.065 1.00 0.10 N ATOM 352 CA VAL A 243 4.510 6.685 0.882 1.00 0.14 C ATOM 353 C VAL A 243 5.142 8.019 1.234 1.00 0.11 C ATOM 354 O VAL A 243 5.841 8.632 0.425 1.00 0.15 O ATOM 355 CB VAL A 243 5.567 5.704 0.333 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.953 6.038 -1.096 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.785 5.708 1.225 1.00 0.32 C ATOM 0 H VAL A 243 3.647 6.556 -1.005 1.00 0.10 H new ATOM 0 HA VAL A 243 4.091 6.233 1.781 1.00 0.14 H new ATOM 0 HB VAL A 243 5.130 4.706 0.327 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.699 5.325 -1.447 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.071 5.984 -1.733 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.367 7.046 -1.135 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.527 5.013 0.831 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.209 6.712 1.257 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.500 5.402 2.232 1.00 0.32 H new ATOM 367 N ILE A 244 4.866 8.490 2.432 1.00 0.13 N ATOM 368 CA ILE A 244 5.409 9.754 2.855 1.00 0.15 C ATOM 369 C ILE A 244 6.726 9.566 3.590 1.00 0.14 C ATOM 370 O ILE A 244 7.457 10.527 3.784 1.00 0.20 O ATOM 371 CB ILE A 244 4.420 10.548 3.727 1.00 0.25 C ATOM 372 CG1 ILE A 244 3.956 9.708 4.919 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.232 11.003 2.887 1.00 0.32 C ATOM 374 CD1 ILE A 244 2.951 10.412 5.794 1.00 0.76 C ATOM 0 H ILE A 244 4.276 8.020 3.119 1.00 0.13 H new ATOM 0 HA ILE A 244 5.592 10.335 1.951 1.00 0.15 H new ATOM 0 HB ILE A 244 4.927 11.431 4.117 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.519 8.780 4.551 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.823 9.436 5.521 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.538 11.564 3.513 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.583 11.639 2.074 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.724 10.132 2.473 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.666 9.759 6.619 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.392 11.327 6.191 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.067 10.660 5.206 1.00 0.76 H new ATOM 386 N GLN A 245 7.012 8.328 4.013 1.00 0.12 N ATOM 387 CA GLN A 245 8.313 7.986 4.601 1.00 0.14 C ATOM 388 C GLN A 245 8.655 6.516 4.412 1.00 0.14 C ATOM 389 O GLN A 245 8.061 5.638 5.036 1.00 0.17 O ATOM 390 CB GLN A 245 8.364 8.339 6.081 1.00 0.21 C ATOM 391 CG GLN A 245 8.435 9.828 6.315 1.00 0.33 C ATOM 392 CD GLN A 245 8.511 10.195 7.778 1.00 0.54 C ATOM 393 OE1 GLN A 245 9.595 10.287 8.348 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.358 10.398 8.392 1.00 1.06 N ATOM 0 H GLN A 245 6.359 7.546 3.959 1.00 0.12 H new ATOM 0 HA GLN A 245 9.057 8.580 4.071 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.481 7.938 6.578 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.231 7.861 6.536 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.308 10.229 5.800 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.558 10.301 5.873 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.483 10.310 7.876 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.344 10.643 9.382 1.00 1.06 H new ATOM 403 N LYS A 246 9.588 6.261 3.509 1.00 0.15 N ATOM 404 CA LYS A 246 10.105 4.921 3.284 1.00 0.16 C ATOM 405 C LYS A 246 11.618 4.948 3.166 1.00 0.22 C ATOM 406 O LYS A 246 12.231 6.015 3.060 1.00 0.29 O ATOM 407 CB LYS A 246 9.518 4.297 2.025 1.00 0.18 C ATOM 408 CG LYS A 246 8.906 2.922 2.245 1.00 0.20 C ATOM 409 CD LYS A 246 7.639 2.998 3.084 1.00 0.29 C ATOM 410 CE LYS A 246 6.653 1.913 2.706 1.00 0.28 C ATOM 411 NZ LYS A 246 5.988 2.194 1.404 1.00 0.36 N ATOM 0 H LYS A 246 10.007 6.975 2.913 1.00 0.15 H new ATOM 0 HA LYS A 246 9.812 4.315 4.142 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.755 4.963 1.623 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.301 4.219 1.271 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.678 2.467 1.281 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.631 2.276 2.739 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.895 2.906 4.139 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.174 3.975 2.953 1.00 0.29 H new ATOM 0 HE2 LYS A 246 7.171 0.956 2.649 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.898 1.821 3.487 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.971 2.347 1.559 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.405 3.046 0.978 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 6.123 1.386 0.764 1.00 0.36 H new ATOM 425 N ARG A 247 12.205 3.773 3.192 1.00 0.27 N ATOM 426 CA ARG A 247 13.607 3.611 2.887 1.00 0.37 C ATOM 427 C ARG A 247 13.665 3.092 1.469 1.00 0.27 C ATOM 428 O ARG A 247 12.627 2.711 0.936 1.00 0.21 O ATOM 429 CB ARG A 247 14.290 2.625 3.845 1.00 0.55 C ATOM 430 CG ARG A 247 14.072 1.160 3.489 1.00 0.69 C ATOM 431 CD ARG A 247 14.970 0.253 4.310 1.00 0.72 C ATOM 432 NE ARG A 247 16.364 0.673 4.224 1.00 1.24 N ATOM 433 CZ ARG A 247 17.290 0.061 3.489 1.00 1.29 C ATOM 434 NH1 ARG A 247 16.998 -1.062 2.842 1.00 1.33 N ATOM 435 NH2 ARG A 247 18.517 0.559 3.428 1.00 2.10 N ATOM 0 H ARG A 247 11.724 2.904 3.425 1.00 0.27 H new ATOM 0 HA ARG A 247 14.136 4.558 2.999 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.361 2.829 3.857 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.920 2.801 4.855 1.00 0.55 H new ATOM 0 HG2 ARG A 247 13.029 0.894 3.660 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.270 1.008 2.428 1.00 0.69 H new ATOM 0 HD2 ARG A 247 14.648 0.264 5.351 1.00 0.72 H new ATOM 0 HD3 ARG A 247 14.874 -0.774 3.957 1.00 0.72 H new ATOM 0 HE ARG A 247 16.649 1.491 4.763 1.00 1.24 H new ATOM 0 HH11 ARG A 247 16.061 -1.459 2.907 1.00 1.33 H new ATOM 0 HH12 ARG A 247 17.711 -1.527 2.280 1.00 1.33 H new ATOM 0 HH21 ARG A 247 18.749 1.408 3.943 1.00 2.10 H new ATOM 0 HH22 ARG A 247 19.229 0.093 2.866 1.00 2.10 H new ATOM 449 N VAL A 248 14.822 3.109 0.836 1.00 0.32 N ATOM 450 CA VAL A 248 14.934 2.526 -0.490 1.00 0.31 C ATOM 451 C VAL A 248 15.525 1.117 -0.387 1.00 0.26 C ATOM 452 O VAL A 248 16.744 0.936 -0.384 1.00 0.30 O ATOM 453 CB VAL A 248 15.795 3.397 -1.432 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.635 2.948 -2.875 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.429 4.867 -1.288 1.00 1.18 C ATOM 0 H VAL A 248 15.683 3.511 1.207 1.00 0.32 H new ATOM 0 HA VAL A 248 13.933 2.474 -0.918 1.00 0.31 H new ATOM 0 HB VAL A 248 16.840 3.273 -1.148 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.250 3.575 -3.521 1.00 1.12 H new ATOM 0 HG12 VAL A 248 15.951 1.909 -2.970 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.590 3.038 -3.170 1.00 1.12 H new ATOM 0 HG21 VAL A 248 16.047 5.463 -1.960 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.378 5.007 -1.541 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.600 5.185 -0.260 1.00 1.18 H new ATOM 465 N PRO A 249 14.652 0.109 -0.254 1.00 0.20 N ATOM 466 CA PRO A 249 15.007 -1.288 -0.126 1.00 0.20 C ATOM 467 C PRO A 249 14.827 -2.059 -1.420 1.00 0.27 C ATOM 468 O PRO A 249 14.321 -1.533 -2.401 1.00 0.34 O ATOM 469 CB PRO A 249 14.008 -1.776 0.927 1.00 0.21 C ATOM 470 CG PRO A 249 12.884 -0.776 0.915 1.00 0.23 C ATOM 471 CD PRO A 249 13.211 0.235 -0.153 1.00 0.22 C ATOM 0 HA PRO A 249 16.055 -1.431 0.136 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.645 -2.776 0.689 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.472 -1.831 1.912 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.933 -1.266 0.705 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.786 -0.293 1.887 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.714 0.008 -1.096 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.908 1.243 0.132 1.00 0.22 H new ATOM 479 N ASN A 250 15.279 -3.295 -1.438 1.00 0.31 N ATOM 480 CA ASN A 250 15.046 -4.141 -2.588 1.00 0.39 C ATOM 481 C ASN A 250 14.201 -5.349 -2.254 1.00 0.36 C ATOM 482 O ASN A 250 14.079 -5.751 -1.099 1.00 0.35 O ATOM 483 CB ASN A 250 16.349 -4.560 -3.271 1.00 0.51 C ATOM 484 CG ASN A 250 17.164 -5.645 -2.560 1.00 1.13 C ATOM 485 OD1 ASN A 250 17.873 -6.403 -3.216 1.00 1.97 O ATOM 486 ND2 ASN A 250 17.083 -5.740 -1.238 1.00 1.56 N ATOM 0 H ASN A 250 15.803 -3.732 -0.680 1.00 0.31 H new ATOM 0 HA ASN A 250 14.482 -3.534 -3.296 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.112 -4.911 -4.275 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.978 -3.676 -3.382 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.617 -6.455 -0.744 1.00 1.56 H new ATOM 0 HD22 ASN A 250 16.487 -5.098 -0.716 1.00 1.56 H new ATOM 493 N ALA A 251 13.637 -5.911 -3.303 1.00 0.43 N ATOM 494 CA ALA A 251 12.738 -7.063 -3.218 1.00 0.48 C ATOM 495 C ALA A 251 13.448 -8.315 -2.701 1.00 0.53 C ATOM 496 O ALA A 251 12.809 -9.321 -2.408 1.00 0.60 O ATOM 497 CB ALA A 251 12.108 -7.336 -4.573 1.00 0.59 C ATOM 0 H ALA A 251 13.787 -5.582 -4.257 1.00 0.43 H new ATOM 0 HA ALA A 251 11.958 -6.815 -2.499 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.441 -8.195 -4.498 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.540 -6.462 -4.893 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.890 -7.547 -5.302 1.00 0.59 H new ATOM 503 N TYR A 252 14.771 -8.259 -2.618 1.00 0.54 N ATOM 504 CA TYR A 252 15.550 -9.327 -2.011 1.00 0.65 C ATOM 505 C TYR A 252 15.300 -9.337 -0.509 1.00 0.60 C ATOM 506 O TYR A 252 15.338 -10.382 0.142 1.00 0.69 O ATOM 507 CB TYR A 252 17.038 -9.129 -2.333 1.00 0.77 C ATOM 508 CG TYR A 252 17.996 -9.793 -1.370 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.977 -11.170 -1.192 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.905 -9.048 -0.634 1.00 2.46 C ATOM 511 CE1 TYR A 252 18.843 -11.788 -0.311 1.00 2.83 C ATOM 512 CE2 TYR A 252 19.775 -9.658 0.251 1.00 3.46 C ATOM 513 CZ TYR A 252 19.777 -10.997 0.391 1.00 3.61 C ATOM 514 OH TYR A 252 20.600 -11.642 1.286 1.00 4.61 O ATOM 0 H TYR A 252 15.329 -7.479 -2.966 1.00 0.54 H new ATOM 0 HA TYR A 252 15.246 -10.292 -2.416 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.231 -9.512 -3.335 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.250 -8.060 -2.354 1.00 0.77 H new ATOM 0 HD1 TYR A 252 17.273 -11.768 -1.752 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.934 -7.975 -0.754 1.00 2.46 H new ATOM 0 HE1 TYR A 252 18.806 -12.857 -0.162 1.00 2.83 H new ATOM 0 HE2 TYR A 252 20.457 -9.057 0.834 1.00 3.46 H new ATOM 0 HH TYR A 252 21.200 -10.991 1.706 1.00 4.61 H new ATOM 524 N ASP A 253 15.022 -8.158 0.017 1.00 0.50 N ATOM 525 CA ASP A 253 14.692 -7.983 1.418 1.00 0.51 C ATOM 526 C ASP A 253 13.269 -8.421 1.664 1.00 0.48 C ATOM 527 O ASP A 253 12.357 -7.591 1.666 1.00 0.43 O ATOM 528 CB ASP A 253 14.842 -6.517 1.793 1.00 0.49 C ATOM 529 CG ASP A 253 14.617 -6.253 3.268 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.367 -6.815 4.093 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.700 -5.479 3.614 1.00 1.32 O ATOM 0 H ASP A 253 15.019 -7.291 -0.520 1.00 0.50 H new ATOM 0 HA ASP A 253 15.366 -8.587 2.026 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.841 -6.179 1.518 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.134 -5.926 1.212 1.00 0.49 H new ATOM 536 N LYS A 254 13.077 -9.716 1.896 1.00 0.55 N ATOM 537 CA LYS A 254 11.761 -10.301 1.828 1.00 0.55 C ATOM 538 C LYS A 254 11.202 -9.990 0.459 1.00 0.49 C ATOM 539 O LYS A 254 11.428 -10.743 -0.488 1.00 0.54 O ATOM 540 CB LYS A 254 10.846 -9.796 2.955 1.00 0.57 C ATOM 541 CG LYS A 254 11.196 -10.379 4.316 1.00 0.73 C ATOM 542 CD LYS A 254 11.548 -9.304 5.336 1.00 1.32 C ATOM 543 CE LYS A 254 12.836 -8.581 4.976 1.00 1.62 C ATOM 544 NZ LYS A 254 13.233 -7.593 6.012 1.00 2.40 N ATOM 0 H LYS A 254 13.822 -10.372 2.132 1.00 0.55 H new ATOM 0 HA LYS A 254 11.821 -11.380 1.972 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.908 -8.709 3.005 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.812 -10.045 2.715 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.354 -10.964 4.685 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.037 -11.064 4.209 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.733 -8.583 5.400 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.650 -9.758 6.322 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.636 -9.310 4.846 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.710 -8.072 4.020 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 14.088 -7.088 5.701 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 12.461 -6.911 6.155 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.429 -8.087 6.906 1.00 2.40 H new ATOM 558 N THR A 255 10.489 -8.886 0.353 1.00 0.42 N ATOM 559 CA THR A 255 10.065 -8.381 -0.936 1.00 0.39 C ATOM 560 C THR A 255 10.144 -6.856 -1.034 1.00 0.31 C ATOM 561 O THR A 255 9.836 -6.309 -2.073 1.00 0.32 O ATOM 562 CB THR A 255 8.649 -8.873 -1.268 1.00 0.47 C ATOM 563 OG1 THR A 255 7.818 -8.780 -0.099 1.00 0.49 O ATOM 564 CG2 THR A 255 8.690 -10.310 -1.755 1.00 0.60 C ATOM 0 H THR A 255 10.191 -8.320 1.148 1.00 0.42 H new ATOM 0 HA THR A 255 10.763 -8.777 -1.673 1.00 0.39 H new ATOM 0 HB THR A 255 8.235 -8.247 -2.058 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.915 -9.093 -0.314 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.679 -10.645 -1.986 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.307 -10.373 -2.651 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.114 -10.946 -0.977 1.00 0.60 H new ATOM 572 N ALA A 256 10.656 -6.216 0.017 1.00 0.26 N ATOM 573 CA ALA A 256 10.473 -4.773 0.303 1.00 0.21 C ATOM 574 C ALA A 256 10.265 -3.840 -0.909 1.00 0.17 C ATOM 575 O ALA A 256 11.063 -3.816 -1.851 1.00 0.21 O ATOM 576 CB ALA A 256 11.645 -4.280 1.131 1.00 0.23 C ATOM 0 H ALA A 256 11.226 -6.689 0.718 1.00 0.26 H new ATOM 0 HA ALA A 256 9.526 -4.718 0.841 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.518 -3.219 1.346 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.689 -4.837 2.067 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.571 -4.430 0.576 1.00 0.23 H new ATOM 582 N LEU A 257 9.174 -3.047 -0.833 1.00 0.14 N ATOM 583 CA LEU A 257 8.881 -1.977 -1.799 1.00 0.14 C ATOM 584 C LEU A 257 10.026 -0.986 -1.890 1.00 0.13 C ATOM 585 O LEU A 257 10.365 -0.338 -0.902 1.00 0.15 O ATOM 586 CB LEU A 257 7.625 -1.165 -1.401 1.00 0.15 C ATOM 587 CG LEU A 257 6.279 -1.708 -1.840 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.318 -2.085 -3.309 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.870 -2.875 -0.977 1.00 0.21 C ATOM 0 H LEU A 257 8.473 -3.135 -0.097 1.00 0.14 H new ATOM 0 HA LEU A 257 8.722 -2.480 -2.753 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.613 -1.072 -0.315 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.731 -0.159 -1.806 1.00 0.15 H new ATOM 0 HG LEU A 257 5.526 -0.929 -1.715 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.345 -2.473 -3.611 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.558 -1.204 -3.904 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.079 -2.849 -3.469 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.902 -3.250 -1.308 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.614 -3.667 -1.060 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.798 -2.552 0.062 1.00 0.21 H new ATOM 601 N ALA A 258 10.586 -0.835 -3.075 1.00 0.14 N ATOM 602 CA ALA A 258 11.611 0.166 -3.291 1.00 0.16 C ATOM 603 C ALA A 258 10.977 1.490 -3.686 1.00 0.17 C ATOM 604 O ALA A 258 10.630 1.702 -4.849 1.00 0.24 O ATOM 605 CB ALA A 258 12.567 -0.304 -4.367 1.00 0.22 C ATOM 0 H ALA A 258 10.350 -1.389 -3.898 1.00 0.14 H new ATOM 0 HA ALA A 258 12.167 0.313 -2.365 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.336 0.452 -4.526 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.035 -1.238 -4.055 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.019 -0.465 -5.295 1.00 0.22 H new ATOM 611 N LEU A 259 10.800 2.365 -2.703 1.00 0.13 N ATOM 612 CA LEU A 259 10.218 3.679 -2.936 1.00 0.15 C ATOM 613 C LEU A 259 10.605 4.618 -1.807 1.00 0.15 C ATOM 614 O LEU A 259 11.085 4.173 -0.771 1.00 0.18 O ATOM 615 CB LEU A 259 8.693 3.589 -3.105 1.00 0.20 C ATOM 616 CG LEU A 259 8.017 2.405 -2.416 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.149 2.505 -0.913 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.562 2.328 -2.814 1.00 0.55 C ATOM 0 H LEU A 259 11.053 2.185 -1.731 1.00 0.13 H new ATOM 0 HA LEU A 259 10.615 4.082 -3.868 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.249 4.509 -2.724 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.466 3.543 -4.170 1.00 0.20 H new ATOM 0 HG LEU A 259 8.518 1.492 -2.739 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.659 1.650 -0.447 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.204 2.512 -0.640 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.679 3.425 -0.567 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.093 1.480 -2.316 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.055 3.247 -2.520 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.486 2.201 -3.894 1.00 0.55 H new ATOM 630 N GLU A 260 10.385 5.906 -1.993 1.00 0.18 N ATOM 631 CA GLU A 260 10.849 6.890 -1.055 1.00 0.24 C ATOM 632 C GLU A 260 9.721 7.858 -0.741 1.00 0.20 C ATOM 633 O GLU A 260 8.580 7.653 -1.144 1.00 0.21 O ATOM 634 CB GLU A 260 12.079 7.611 -1.624 1.00 0.39 C ATOM 635 CG GLU A 260 11.780 8.899 -2.380 1.00 0.52 C ATOM 636 CD GLU A 260 12.935 9.319 -3.265 1.00 0.96 C ATOM 637 OE1 GLU A 260 13.836 10.030 -2.782 1.00 1.74 O ATOM 638 OE2 GLU A 260 12.933 8.953 -4.458 1.00 1.27 O ATOM 0 H GLU A 260 9.883 6.289 -2.794 1.00 0.18 H new ATOM 0 HA GLU A 260 11.150 6.409 -0.124 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.759 7.839 -0.803 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.604 6.929 -2.293 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.887 8.762 -2.990 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.561 9.695 -1.668 1.00 0.52 H new ATOM 645 N VAL A 261 10.038 8.867 0.018 1.00 0.33 N ATOM 646 CA VAL A 261 9.088 9.890 0.394 1.00 0.32 C ATOM 647 C VAL A 261 8.526 10.647 -0.803 1.00 0.22 C ATOM 648 O VAL A 261 9.273 11.185 -1.621 1.00 0.28 O ATOM 649 CB VAL A 261 9.785 10.857 1.338 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.891 12.027 1.694 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.210 10.066 2.536 1.00 0.93 C ATOM 0 H VAL A 261 10.973 9.010 0.401 1.00 0.33 H new ATOM 0 HA VAL A 261 8.239 9.406 0.877 1.00 0.32 H new ATOM 0 HB VAL A 261 10.659 11.305 0.865 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.421 12.698 2.370 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.619 12.567 0.787 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.988 11.660 2.182 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.717 10.722 3.244 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.333 9.627 3.012 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.890 9.273 2.226 1.00 0.93 H new ATOM 661 N GLY A 262 7.201 10.663 -0.901 1.00 0.17 N ATOM 662 CA GLY A 262 6.542 11.477 -1.888 1.00 0.20 C ATOM 663 C GLY A 262 5.994 10.648 -3.014 1.00 0.22 C ATOM 664 O GLY A 262 5.355 11.165 -3.932 1.00 0.31 O ATOM 0 H GLY A 262 6.574 10.120 -0.307 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.732 12.034 -1.418 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.245 12.210 -2.284 1.00 0.20 H new ATOM 668 N GLU A 263 6.216 9.351 -2.927 1.00 0.16 N ATOM 669 CA GLU A 263 5.872 8.447 -3.994 1.00 0.18 C ATOM 670 C GLU A 263 4.516 7.799 -3.742 1.00 0.15 C ATOM 671 O GLU A 263 3.906 8.012 -2.698 1.00 0.19 O ATOM 672 CB GLU A 263 6.972 7.406 -4.096 1.00 0.23 C ATOM 673 CG GLU A 263 8.356 8.027 -4.029 1.00 0.26 C ATOM 674 CD GLU A 263 8.674 8.871 -5.248 1.00 0.61 C ATOM 675 OE1 GLU A 263 8.294 8.469 -6.370 1.00 1.02 O ATOM 676 OE2 GLU A 263 9.290 9.945 -5.094 1.00 1.04 O ATOM 0 H GLU A 263 6.639 8.901 -2.115 1.00 0.16 H new ATOM 0 HA GLU A 263 5.789 8.989 -4.936 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.861 6.682 -3.289 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.866 6.858 -5.032 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.430 8.645 -3.134 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.101 7.237 -3.934 1.00 0.26 H new ATOM 683 N LEU A 264 4.053 7.013 -4.692 1.00 0.14 N ATOM 684 CA LEU A 264 2.764 6.356 -4.573 1.00 0.13 C ATOM 685 C LEU A 264 2.913 4.881 -4.912 1.00 0.15 C ATOM 686 O LEU A 264 3.698 4.527 -5.792 1.00 0.24 O ATOM 687 CB LEU A 264 1.758 7.011 -5.523 1.00 0.15 C ATOM 688 CG LEU A 264 0.307 6.573 -5.344 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.298 7.230 -4.117 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.508 6.901 -6.586 1.00 0.18 C ATOM 0 H LEU A 264 4.551 6.812 -5.559 1.00 0.14 H new ATOM 0 HA LEU A 264 2.401 6.455 -3.550 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.812 8.092 -5.393 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.060 6.798 -6.548 1.00 0.15 H new ATOM 0 HG LEU A 264 0.288 5.493 -5.199 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.333 6.907 -4.004 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.270 6.942 -3.233 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.267 8.313 -4.232 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.540 6.581 -6.439 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.483 7.976 -6.764 1.00 0.18 H new ATOM 0 HD23 LEU A 264 -0.086 6.381 -7.446 1.00 0.18 H new ATOM 702 N VAL A 265 2.170 4.021 -4.229 1.00 0.14 N ATOM 703 CA VAL A 265 2.260 2.598 -4.493 1.00 0.15 C ATOM 704 C VAL A 265 0.875 2.031 -4.716 1.00 0.15 C ATOM 705 O VAL A 265 -0.107 2.537 -4.177 1.00 0.27 O ATOM 706 CB VAL A 265 2.978 1.824 -3.350 1.00 0.20 C ATOM 707 CG1 VAL A 265 2.008 1.151 -2.393 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.911 0.784 -3.919 1.00 0.41 C ATOM 0 H VAL A 265 1.508 4.282 -3.498 1.00 0.14 H new ATOM 0 HA VAL A 265 2.863 2.470 -5.392 1.00 0.15 H new ATOM 0 HB VAL A 265 3.541 2.567 -2.786 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.567 0.627 -1.617 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.369 1.905 -1.933 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.392 0.438 -2.941 1.00 0.40 H new ATOM 0 HG21 VAL A 265 4.404 0.253 -3.105 1.00 0.41 H new ATOM 0 HG22 VAL A 265 3.342 0.076 -4.522 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.662 1.270 -4.542 1.00 0.41 H new ATOM 718 N LYS A 266 0.805 1.001 -5.521 1.00 0.13 N ATOM 719 CA LYS A 266 -0.435 0.311 -5.771 1.00 0.15 C ATOM 720 C LYS A 266 -0.436 -0.964 -4.946 1.00 0.13 C ATOM 721 O LYS A 266 0.197 -1.946 -5.310 1.00 0.14 O ATOM 722 CB LYS A 266 -0.560 0.047 -7.295 1.00 0.24 C ATOM 723 CG LYS A 266 -1.131 -1.309 -7.727 1.00 0.85 C ATOM 724 CD LYS A 266 -2.485 -1.625 -7.114 1.00 0.49 C ATOM 725 CE LYS A 266 -3.208 -2.705 -7.906 1.00 0.82 C ATOM 726 NZ LYS A 266 -3.287 -2.380 -9.359 1.00 1.32 N ATOM 0 H LYS A 266 1.606 0.617 -6.022 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.302 0.902 -5.476 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -1.187 0.829 -7.723 1.00 0.24 H new ATOM 0 HB3 LYS A 266 0.430 0.153 -7.739 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -1.221 -1.326 -8.813 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -0.426 -2.094 -7.453 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -2.353 -1.953 -6.083 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.094 -0.722 -7.085 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -2.692 -3.656 -7.776 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -4.215 -2.832 -7.509 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -4.203 -2.696 -9.736 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -3.195 -1.352 -9.490 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -2.518 -2.864 -9.865 1.00 1.32 H new ATOM 740 N VAL A 267 -1.123 -0.960 -3.819 1.00 0.16 N ATOM 741 CA VAL A 267 -1.148 -2.151 -3.016 1.00 0.16 C ATOM 742 C VAL A 267 -2.250 -3.069 -3.528 1.00 0.17 C ATOM 743 O VAL A 267 -3.425 -2.692 -3.620 1.00 0.25 O ATOM 744 CB VAL A 267 -1.246 -1.895 -1.478 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.109 -0.421 -1.134 1.00 0.55 C ATOM 746 CG2 VAL A 267 -2.502 -2.468 -0.881 1.00 0.63 C ATOM 0 H VAL A 267 -1.653 -0.169 -3.454 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.181 -2.642 -3.128 1.00 0.16 H new ATOM 0 HB VAL A 267 -0.402 -2.421 -1.031 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.183 -0.291 -0.054 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -0.141 -0.056 -1.478 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -1.904 0.142 -1.623 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -2.522 -2.263 0.189 1.00 0.63 H new ATOM 0 HG22 VAL A 267 -3.371 -2.011 -1.354 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -2.524 -3.545 -1.045 1.00 0.63 H new ATOM 756 N THR A 268 -1.825 -4.241 -3.950 1.00 0.15 N ATOM 757 CA THR A 268 -2.706 -5.263 -4.459 1.00 0.19 C ATOM 758 C THR A 268 -3.231 -6.108 -3.307 1.00 0.22 C ATOM 759 O THR A 268 -4.238 -6.809 -3.424 1.00 0.34 O ATOM 760 CB THR A 268 -1.934 -6.157 -5.450 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.784 -7.185 -5.975 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.718 -6.780 -4.763 1.00 0.29 C ATOM 0 H THR A 268 -0.842 -4.512 -3.948 1.00 0.15 H new ATOM 0 HA THR A 268 -3.547 -4.795 -4.971 1.00 0.19 H new ATOM 0 HB THR A 268 -1.593 -5.535 -6.278 1.00 0.24 H new ATOM 0 HG1 THR A 268 -2.276 -7.740 -6.603 1.00 0.32 H new ATOM 0 HG21 THR A 268 -0.181 -7.409 -5.473 1.00 0.29 H new ATOM 0 HG22 THR A 268 -0.057 -5.990 -4.406 1.00 0.29 H new ATOM 0 HG23 THR A 268 -1.048 -7.386 -3.919 1.00 0.29 H new ATOM 770 N LYS A 269 -2.538 -6.012 -2.186 1.00 0.18 N ATOM 771 CA LYS A 269 -2.808 -6.806 -1.043 1.00 0.20 C ATOM 772 C LYS A 269 -3.411 -5.910 0.013 1.00 0.22 C ATOM 773 O LYS A 269 -2.740 -5.030 0.509 1.00 0.35 O ATOM 774 CB LYS A 269 -1.462 -7.384 -0.610 1.00 0.23 C ATOM 775 CG LYS A 269 -1.493 -8.249 0.617 1.00 0.40 C ATOM 776 CD LYS A 269 -1.562 -7.410 1.858 1.00 1.55 C ATOM 777 CE LYS A 269 -2.291 -8.125 2.954 1.00 2.25 C ATOM 778 NZ LYS A 269 -1.649 -9.419 3.310 1.00 2.84 N ATOM 0 H LYS A 269 -1.762 -5.362 -2.062 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.512 -7.617 -1.228 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -1.055 -7.969 -1.435 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.772 -6.559 -0.434 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -2.354 -8.916 0.575 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -0.603 -8.878 0.647 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.554 -7.162 2.189 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -2.065 -6.469 1.637 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -2.331 -7.487 3.837 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -3.320 -8.306 2.645 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -1.732 -9.577 4.335 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -2.122 -10.193 2.801 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -0.644 -9.393 3.044 1.00 2.84 H new ATOM 792 N ILE A 270 -4.667 -6.095 0.342 1.00 0.33 N ATOM 793 CA ILE A 270 -5.265 -5.251 1.360 1.00 0.39 C ATOM 794 C ILE A 270 -5.375 -6.037 2.665 1.00 0.55 C ATOM 795 O ILE A 270 -5.340 -7.266 2.646 1.00 0.73 O ATOM 796 CB ILE A 270 -6.657 -4.696 0.942 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.771 -5.726 1.175 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.637 -4.264 -0.523 1.00 1.09 C ATOM 799 CD1 ILE A 270 -9.148 -5.226 0.790 1.00 1.90 C ATOM 0 H ILE A 270 -5.283 -6.799 -0.064 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.616 -4.386 1.495 1.00 0.39 H new ATOM 0 HB ILE A 270 -6.869 -3.830 1.568 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.547 -6.627 0.603 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.778 -6.010 2.227 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.617 -3.878 -0.802 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -5.887 -3.485 -0.663 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.392 -5.120 -1.152 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -9.885 -6.006 0.982 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.393 -4.343 1.380 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -9.159 -4.969 -0.269 1.00 1.90 H new ATOM 811 N ASN A 271 -5.484 -5.347 3.795 1.00 0.60 N ATOM 812 CA ASN A 271 -5.526 -6.028 5.084 1.00 0.82 C ATOM 813 C ASN A 271 -6.236 -5.182 6.132 1.00 0.70 C ATOM 814 O ASN A 271 -6.710 -4.083 5.843 1.00 0.87 O ATOM 815 CB ASN A 271 -4.111 -6.363 5.561 1.00 1.17 C ATOM 816 CG ASN A 271 -3.393 -5.157 6.125 1.00 1.58 C ATOM 817 OD1 ASN A 271 -3.344 -4.948 7.338 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.865 -4.337 5.245 1.00 1.88 N ATOM 0 H ASN A 271 -5.544 -4.330 3.846 1.00 0.60 H new ATOM 0 HA ASN A 271 -6.087 -6.953 4.950 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -4.162 -7.141 6.322 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.536 -6.768 4.728 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.392 -3.489 5.558 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -2.928 -4.548 4.249 1.00 1.88 H new ATOM 825 N MET A 272 -6.255 -5.698 7.355 1.00 0.81 N ATOM 826 CA MET A 272 -7.069 -5.155 8.436 1.00 0.97 C ATOM 827 C MET A 272 -6.412 -3.977 9.154 1.00 1.02 C ATOM 828 O MET A 272 -7.085 -3.017 9.522 1.00 1.22 O ATOM 829 CB MET A 272 -7.361 -6.273 9.438 1.00 1.24 C ATOM 830 CG MET A 272 -6.109 -6.837 10.096 1.00 1.30 C ATOM 831 SD MET A 272 -6.378 -8.457 10.841 1.00 2.03 S ATOM 832 CE MET A 272 -6.880 -9.414 9.410 1.00 2.52 C ATOM 0 H MET A 272 -5.702 -6.511 7.627 1.00 0.81 H new ATOM 0 HA MET A 272 -7.988 -4.772 7.994 1.00 0.97 H new ATOM 0 HB2 MET A 272 -8.029 -5.893 10.211 1.00 1.24 H new ATOM 0 HB3 MET A 272 -7.889 -7.079 8.928 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.316 -6.912 9.352 1.00 1.30 H new ATOM 0 HG3 MET A 272 -5.763 -6.143 10.862 1.00 1.30 H new ATOM 0 HE1 MET A 272 -6.642 -10.465 9.573 1.00 2.52 H new ATOM 0 HE2 MET A 272 -7.954 -9.305 9.258 1.00 2.52 H new ATOM 0 HE3 MET A 272 -6.350 -9.055 8.528 1.00 2.52 H new ATOM 842 N SER A 273 -5.108 -4.053 9.343 1.00 0.93 N ATOM 843 CA SER A 273 -4.406 -3.104 10.196 1.00 1.02 C ATOM 844 C SER A 273 -3.783 -1.978 9.387 1.00 0.91 C ATOM 845 O SER A 273 -3.547 -0.884 9.900 1.00 1.14 O ATOM 846 CB SER A 273 -3.319 -3.831 10.986 1.00 1.14 C ATOM 847 OG SER A 273 -3.824 -5.011 11.590 1.00 1.50 O ATOM 0 H SER A 273 -4.510 -4.762 8.918 1.00 0.93 H new ATOM 0 HA SER A 273 -5.133 -2.664 10.879 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.492 -4.085 10.323 1.00 1.14 H new ATOM 0 HB3 SER A 273 -2.920 -3.169 11.754 1.00 1.14 H new ATOM 0 HG SER A 273 -3.107 -5.457 12.087 1.00 1.50 H new ATOM 853 N GLY A 274 -3.528 -2.243 8.122 1.00 0.64 N ATOM 854 CA GLY A 274 -2.864 -1.265 7.295 1.00 0.61 C ATOM 855 C GLY A 274 -1.457 -1.692 6.943 1.00 0.49 C ATOM 856 O GLY A 274 -0.694 -0.918 6.378 1.00 0.57 O ATOM 0 H GLY A 274 -3.768 -3.116 7.652 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.437 -1.112 6.381 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.834 -0.308 7.816 1.00 0.61 H new ATOM 860 N GLN A 275 -1.117 -2.936 7.256 1.00 0.41 N ATOM 861 CA GLN A 275 0.207 -3.449 6.931 1.00 0.40 C ATOM 862 C GLN A 275 0.075 -4.399 5.763 1.00 0.32 C ATOM 863 O GLN A 275 -0.072 -5.609 5.932 1.00 0.41 O ATOM 864 CB GLN A 275 0.861 -4.144 8.131 1.00 0.56 C ATOM 865 CG GLN A 275 2.292 -4.595 7.859 1.00 0.69 C ATOM 866 CD GLN A 275 2.964 -5.190 9.080 1.00 0.76 C ATOM 867 OE1 GLN A 275 2.904 -6.398 9.314 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.611 -4.343 9.867 1.00 0.81 N ATOM 0 H GLN A 275 -1.730 -3.600 7.728 1.00 0.41 H new ATOM 0 HA GLN A 275 0.858 -2.616 6.665 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.857 -3.464 8.983 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.261 -5.010 8.412 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.289 -5.332 7.056 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.875 -3.744 7.508 1.00 0.69 H new ATOM 0 HE21 GLN A 275 3.636 -3.350 9.636 1.00 0.81 H new ATOM 0 HE22 GLN A 275 4.084 -4.684 10.704 1.00 0.81 H new ATOM 877 N TRP A 276 0.052 -3.825 4.579 1.00 0.22 N ATOM 878 CA TRP A 276 -0.238 -4.571 3.377 1.00 0.17 C ATOM 879 C TRP A 276 0.994 -4.790 2.546 1.00 0.15 C ATOM 880 O TRP A 276 2.099 -4.377 2.906 1.00 0.19 O ATOM 881 CB TRP A 276 -1.269 -3.845 2.518 1.00 0.18 C ATOM 882 CG TRP A 276 -1.488 -2.404 2.887 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.546 -1.414 2.938 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.735 -1.787 3.239 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.125 -0.232 3.331 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.470 -0.434 3.512 1.00 0.31 C ATOM 887 CE3 TRP A 276 -4.047 -2.253 3.353 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.469 0.457 3.898 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -5.037 -1.368 3.734 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.745 -0.027 4.001 1.00 0.47 C ATOM 0 H TRP A 276 0.233 -2.833 4.425 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.631 -5.535 3.700 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.955 -3.896 1.476 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.220 -4.373 2.590 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.500 -1.543 2.704 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.635 0.652 3.466 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.283 -3.287 3.147 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.245 1.492 4.108 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -6.054 -1.718 3.827 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.542 0.640 4.294 1.00 0.47 H new ATOM 901 N GLU A 277 0.781 -5.408 1.404 1.00 0.12 N ATOM 902 CA GLU A 277 1.829 -5.631 0.477 1.00 0.12 C ATOM 903 C GLU A 277 1.621 -4.667 -0.657 1.00 0.11 C ATOM 904 O GLU A 277 0.533 -4.595 -1.214 1.00 0.12 O ATOM 905 CB GLU A 277 1.800 -7.062 -0.046 1.00 0.14 C ATOM 906 CG GLU A 277 2.435 -8.103 0.868 1.00 0.19 C ATOM 907 CD GLU A 277 1.662 -8.378 2.148 1.00 1.21 C ATOM 908 OE1 GLU A 277 1.845 -7.621 3.125 1.00 2.07 O ATOM 909 OE2 GLU A 277 0.859 -9.324 2.182 1.00 1.55 O ATOM 0 H GLU A 277 -0.128 -5.763 1.108 1.00 0.12 H new ATOM 0 HA GLU A 277 2.797 -5.480 0.955 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.763 -7.345 -0.225 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.309 -7.090 -1.009 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.540 -9.037 0.315 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.440 -7.772 1.130 1.00 0.19 H new ATOM 916 N GLY A 278 2.638 -3.922 -0.983 1.00 0.13 N ATOM 917 CA GLY A 278 2.501 -2.941 -2.025 1.00 0.12 C ATOM 918 C GLY A 278 3.114 -3.420 -3.297 1.00 0.12 C ATOM 919 O GLY A 278 3.861 -4.397 -3.310 1.00 0.15 O ATOM 0 H GLY A 278 3.560 -3.972 -0.550 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.445 -2.722 -2.186 1.00 0.12 H new ATOM 0 HA3 GLY A 278 2.976 -2.010 -1.717 1.00 0.12 H new ATOM 923 N GLU A 279 2.793 -2.745 -4.362 1.00 0.11 N ATOM 924 CA GLU A 279 3.452 -2.971 -5.613 1.00 0.14 C ATOM 925 C GLU A 279 3.635 -1.637 -6.305 1.00 0.17 C ATOM 926 O GLU A 279 2.668 -0.957 -6.644 1.00 0.20 O ATOM 927 CB GLU A 279 2.638 -3.941 -6.471 1.00 0.20 C ATOM 928 CG GLU A 279 3.353 -4.390 -7.731 1.00 0.31 C ATOM 929 CD GLU A 279 2.826 -5.708 -8.253 1.00 1.08 C ATOM 930 OE1 GLU A 279 3.279 -6.764 -7.760 1.00 2.07 O ATOM 931 OE2 GLU A 279 1.972 -5.698 -9.160 1.00 1.27 O ATOM 0 H GLU A 279 2.070 -2.026 -4.387 1.00 0.11 H new ATOM 0 HA GLU A 279 4.430 -3.425 -5.451 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.388 -4.818 -5.874 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.697 -3.465 -6.748 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.241 -3.626 -8.501 1.00 0.31 H new ATOM 0 HG3 GLU A 279 4.420 -4.483 -7.527 1.00 0.31 H new ATOM 938 N CYS A 280 4.877 -1.258 -6.509 1.00 0.20 N ATOM 939 CA CYS A 280 5.161 0.022 -7.128 1.00 0.27 C ATOM 940 C CYS A 280 5.544 -0.184 -8.564 1.00 0.29 C ATOM 941 O CYS A 280 6.730 -0.286 -8.875 1.00 0.33 O ATOM 942 CB CYS A 280 6.318 0.721 -6.420 1.00 0.39 C ATOM 943 SG CYS A 280 6.165 2.513 -6.331 1.00 0.51 S ATOM 0 H CYS A 280 5.699 -1.808 -6.260 1.00 0.20 H new ATOM 0 HA CYS A 280 4.265 0.638 -7.055 1.00 0.27 H new ATOM 0 HB2 CYS A 280 6.400 0.325 -5.408 1.00 0.39 H new ATOM 0 HB3 CYS A 280 7.246 0.473 -6.936 1.00 0.39 H new ATOM 0 HG CYS A 280 4.929 2.831 -6.086 1.00 0.51 H new ATOM 949 N ASN A 281 4.538 -0.173 -9.429 1.00 0.37 N ATOM 950 CA ASN A 281 4.709 -0.488 -10.842 1.00 0.49 C ATOM 951 C ASN A 281 5.853 -1.480 -11.051 1.00 0.45 C ATOM 952 O ASN A 281 6.734 -1.281 -11.889 1.00 0.53 O ATOM 953 CB ASN A 281 4.913 0.788 -11.660 1.00 0.63 C ATOM 954 CG ASN A 281 3.758 1.758 -11.480 1.00 0.80 C ATOM 955 OD1 ASN A 281 3.853 2.721 -10.719 1.00 1.44 O ATOM 956 ND2 ASN A 281 2.644 1.491 -12.145 1.00 0.97 N ATOM 0 H ASN A 281 3.578 0.055 -9.170 1.00 0.37 H new ATOM 0 HA ASN A 281 3.797 -0.967 -11.197 1.00 0.49 H new ATOM 0 HB2 ASN A 281 5.843 1.269 -11.359 1.00 0.63 H new ATOM 0 HB3 ASN A 281 5.013 0.533 -12.715 1.00 0.63 H new ATOM 0 HD21 ASN A 281 1.828 2.093 -12.035 1.00 0.97 H new ATOM 0 HD22 ASN A 281 2.602 0.684 -12.767 1.00 0.97 H new ATOM 963 N GLY A 282 5.811 -2.564 -10.281 1.00 0.37 N ATOM 964 CA GLY A 282 6.802 -3.606 -10.383 1.00 0.39 C ATOM 965 C GLY A 282 7.782 -3.712 -9.221 1.00 0.34 C ATOM 966 O GLY A 282 8.644 -4.589 -9.234 1.00 0.46 O ATOM 0 H GLY A 282 5.092 -2.735 -9.578 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.287 -4.561 -10.486 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.371 -3.450 -11.299 1.00 0.39 H new ATOM 970 N LYS A 283 7.682 -2.852 -8.216 1.00 0.25 N ATOM 971 CA LYS A 283 8.238 -3.200 -6.916 1.00 0.23 C ATOM 972 C LYS A 283 7.147 -3.916 -6.160 1.00 0.14 C ATOM 973 O LYS A 283 5.989 -3.587 -6.326 1.00 0.17 O ATOM 974 CB LYS A 283 8.681 -1.988 -6.081 1.00 0.33 C ATOM 975 CG LYS A 283 8.980 -0.752 -6.890 1.00 0.74 C ATOM 976 CD LYS A 283 10.271 -0.882 -7.629 1.00 0.61 C ATOM 977 CE LYS A 283 10.680 0.425 -8.288 1.00 1.28 C ATOM 978 NZ LYS A 283 9.727 0.844 -9.354 1.00 1.93 N ATOM 0 H LYS A 283 7.236 -1.936 -8.271 1.00 0.25 H new ATOM 0 HA LYS A 283 9.130 -3.804 -7.082 1.00 0.23 H new ATOM 0 HB2 LYS A 283 7.899 -1.754 -5.358 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.570 -2.259 -5.512 1.00 0.33 H new ATOM 0 HG2 LYS A 283 8.170 -0.574 -7.598 1.00 0.74 H new ATOM 0 HG3 LYS A 283 9.023 0.115 -6.230 1.00 0.74 H new ATOM 0 HD2 LYS A 283 11.053 -1.202 -6.940 1.00 0.61 H new ATOM 0 HD3 LYS A 283 10.178 -1.658 -8.389 1.00 0.61 H new ATOM 0 HE2 LYS A 283 10.742 1.207 -7.531 1.00 1.28 H new ATOM 0 HE3 LYS A 283 11.676 0.317 -8.717 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 10.242 0.975 -10.248 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 9.000 0.111 -9.477 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 9.273 1.739 -9.082 1.00 1.93 H new ATOM 992 N ARG A 284 7.503 -4.876 -5.348 1.00 0.16 N ATOM 993 CA ARG A 284 6.538 -5.573 -4.521 1.00 0.12 C ATOM 994 C ARG A 284 7.017 -5.451 -3.091 1.00 0.13 C ATOM 995 O ARG A 284 8.042 -4.831 -2.870 1.00 0.20 O ATOM 996 CB ARG A 284 6.422 -7.041 -4.946 1.00 0.18 C ATOM 997 CG ARG A 284 5.317 -7.823 -4.244 1.00 0.21 C ATOM 998 CD ARG A 284 3.936 -7.382 -4.682 1.00 0.26 C ATOM 999 NE ARG A 284 2.908 -8.280 -4.162 1.00 0.41 N ATOM 1000 CZ ARG A 284 1.924 -8.790 -4.897 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.806 -8.467 -6.181 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.051 -9.619 -4.340 1.00 0.67 N ATOM 0 H ARG A 284 8.464 -5.200 -5.237 1.00 0.16 H new ATOM 0 HA ARG A 284 5.544 -5.139 -4.628 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.250 -7.081 -6.022 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.375 -7.536 -4.757 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.439 -8.886 -4.451 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.412 -7.695 -3.166 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.747 -6.367 -4.333 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.886 -7.359 -5.771 1.00 0.26 H new ATOM 0 HE ARG A 284 2.947 -8.531 -3.174 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.473 -7.824 -6.609 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.049 -8.862 -6.739 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.137 -9.862 -3.353 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.294 -10.013 -4.899 1.00 0.67 H new ATOM 1016 N GLY A 285 6.251 -5.916 -2.124 1.00 0.14 N ATOM 1017 CA GLY A 285 6.785 -6.037 -0.792 1.00 0.18 C ATOM 1018 C GLY A 285 5.703 -5.870 0.223 1.00 0.14 C ATOM 1019 O GLY A 285 4.546 -6.021 -0.108 1.00 0.15 O ATOM 0 H GLY A 285 5.280 -6.209 -2.235 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.258 -7.012 -0.671 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.559 -5.285 -0.634 1.00 0.18 H new ATOM 1023 N HIS A 286 6.065 -5.533 1.441 1.00 0.15 N ATOM 1024 CA HIS A 286 5.079 -5.271 2.474 1.00 0.13 C ATOM 1025 C HIS A 286 5.582 -4.182 3.412 1.00 0.15 C ATOM 1026 O HIS A 286 6.751 -4.171 3.785 1.00 0.20 O ATOM 1027 CB HIS A 286 4.719 -6.558 3.242 1.00 0.18 C ATOM 1028 CG HIS A 286 5.888 -7.323 3.799 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.783 -8.600 4.301 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.186 -6.986 3.924 1.00 0.67 C ATOM 1031 CE1 HIS A 286 6.971 -9.006 4.715 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.845 -8.040 4.501 1.00 0.52 N ATOM 0 H HIS A 286 7.034 -5.433 1.744 1.00 0.15 H new ATOM 0 HA HIS A 286 4.164 -4.917 1.999 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.052 -6.296 4.064 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.161 -7.215 2.575 1.00 0.18 H new ATOM 0 HD1 HIS A 286 4.923 -9.147 4.347 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.630 -6.049 3.622 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.190 -9.968 5.155 1.00 0.65 H new ATOM 1041 N PHE A 287 4.708 -3.244 3.746 1.00 0.14 N ATOM 1042 CA PHE A 287 5.070 -2.129 4.617 1.00 0.17 C ATOM 1043 C PHE A 287 3.840 -1.599 5.350 1.00 0.20 C ATOM 1044 O PHE A 287 2.761 -1.500 4.769 1.00 0.29 O ATOM 1045 CB PHE A 287 5.757 -0.995 3.830 1.00 0.20 C ATOM 1046 CG PHE A 287 7.198 -1.265 3.500 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.128 -1.439 4.512 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.625 -1.339 2.185 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.455 -1.684 4.219 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.951 -1.580 1.887 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.867 -1.753 2.905 1.00 0.30 C ATOM 0 H PHE A 287 3.739 -3.231 3.427 1.00 0.14 H new ATOM 0 HA PHE A 287 5.783 -2.503 5.352 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.208 -0.826 2.903 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.694 -0.074 4.410 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.811 -1.382 5.543 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.913 -1.207 1.384 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.169 -1.821 5.018 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.272 -1.633 0.857 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.905 -1.942 2.673 1.00 0.30 H new ATOM 1061 N PRO A 288 3.999 -1.252 6.638 1.00 0.22 N ATOM 1062 CA PRO A 288 2.890 -0.798 7.488 1.00 0.26 C ATOM 1063 C PRO A 288 2.312 0.558 7.075 1.00 0.24 C ATOM 1064 O PRO A 288 2.915 1.302 6.293 1.00 0.28 O ATOM 1065 CB PRO A 288 3.519 -0.702 8.880 1.00 0.33 C ATOM 1066 CG PRO A 288 4.977 -0.530 8.632 1.00 0.54 C ATOM 1067 CD PRO A 288 5.275 -1.299 7.376 1.00 0.32 C ATOM 0 HA PRO A 288 2.045 -1.484 7.422 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.112 0.140 9.440 1.00 0.33 H new ATOM 0 HB3 PRO A 288 3.321 -1.600 9.465 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.232 0.523 8.515 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.563 -0.908 9.470 1.00 0.54 H new ATOM 0 HD2 PRO A 288 6.085 -0.842 6.808 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.576 -2.324 7.594 1.00 0.32 H new ATOM 1075 N PHE A 289 1.150 0.867 7.642 1.00 0.31 N ATOM 1076 CA PHE A 289 0.402 2.083 7.336 1.00 0.37 C ATOM 1077 C PHE A 289 1.054 3.304 7.987 1.00 0.33 C ATOM 1078 O PHE A 289 0.768 4.445 7.626 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.034 1.929 7.855 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.001 2.956 7.333 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.679 2.732 6.150 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -2.239 4.132 8.026 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -3.574 3.660 5.663 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -3.135 5.066 7.543 1.00 1.12 C ATOM 1085 CZ PHE A 289 -3.804 4.828 6.358 1.00 0.50 C ATOM 0 H PHE A 289 0.695 0.273 8.335 1.00 0.31 H new ATOM 0 HA PHE A 289 0.399 2.233 6.256 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.399 0.937 7.588 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.021 1.982 8.944 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -2.505 1.819 5.600 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -1.719 4.320 8.953 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -4.096 3.472 4.736 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -3.312 5.980 8.090 1.00 1.12 H new ATOM 0 HZ PHE A 289 -4.506 5.555 5.977 1.00 0.50 H new ATOM 1095 N THR A 290 1.966 3.040 8.912 1.00 0.33 N ATOM 1096 CA THR A 290 2.525 4.048 9.805 1.00 0.41 C ATOM 1097 C THR A 290 3.405 5.093 9.105 1.00 0.38 C ATOM 1098 O THR A 290 4.111 5.856 9.765 1.00 0.57 O ATOM 1099 CB THR A 290 3.350 3.334 10.886 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.183 2.339 10.273 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.443 2.665 11.904 1.00 0.61 C ATOM 0 H THR A 290 2.345 2.106 9.066 1.00 0.33 H new ATOM 0 HA THR A 290 1.684 4.598 10.227 1.00 0.41 H new ATOM 0 HB THR A 290 3.964 4.076 11.397 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.711 1.884 10.962 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.050 2.166 12.659 1.00 0.61 H new ATOM 0 HG22 THR A 290 1.815 3.417 12.382 1.00 0.61 H new ATOM 0 HG23 THR A 290 1.812 1.931 11.402 1.00 0.61 H new ATOM 1109 N HIS A 291 3.352 5.145 7.780 1.00 0.25 N ATOM 1110 CA HIS A 291 4.156 6.094 7.015 1.00 0.26 C ATOM 1111 C HIS A 291 3.665 6.171 5.577 1.00 0.23 C ATOM 1112 O HIS A 291 4.407 6.551 4.668 1.00 0.26 O ATOM 1113 CB HIS A 291 5.649 5.727 7.062 1.00 0.35 C ATOM 1114 CG HIS A 291 5.945 4.273 6.839 1.00 0.40 C ATOM 1115 ND1 HIS A 291 7.033 3.643 7.391 1.00 1.01 N ATOM 1116 CD2 HIS A 291 5.285 3.324 6.133 1.00 1.26 C ATOM 1117 CE1 HIS A 291 7.033 2.373 7.038 1.00 0.72 C ATOM 1118 NE2 HIS A 291 5.979 2.147 6.274 1.00 0.88 N ATOM 0 H HIS A 291 2.760 4.540 7.210 1.00 0.25 H new ATOM 0 HA HIS A 291 4.042 7.076 7.473 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.177 6.311 6.308 1.00 0.35 H new ATOM 0 HB3 HIS A 291 6.051 6.021 8.032 1.00 0.35 H new ATOM 0 HD1 HIS A 291 7.734 4.089 7.983 1.00 1.01 H new ATOM 0 HD2 HIS A 291 4.379 3.467 5.563 1.00 1.26 H new ATOM 0 HE1 HIS A 291 7.772 1.639 7.325 1.00 0.72 H new ATOM 1127 N VAL A 292 2.409 5.799 5.382 1.00 0.21 N ATOM 1128 CA VAL A 292 1.777 5.886 4.078 1.00 0.21 C ATOM 1129 C VAL A 292 0.411 6.546 4.200 1.00 0.24 C ATOM 1130 O VAL A 292 -0.190 6.561 5.272 1.00 0.32 O ATOM 1131 CB VAL A 292 1.620 4.501 3.423 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.975 3.846 3.221 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.717 3.613 4.257 1.00 0.51 C ATOM 0 H VAL A 292 1.805 5.432 6.117 1.00 0.21 H new ATOM 0 HA VAL A 292 2.425 6.490 3.443 1.00 0.21 H new ATOM 0 HB VAL A 292 1.157 4.638 2.446 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.841 2.869 2.757 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.590 4.473 2.575 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.468 3.725 4.186 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.620 2.640 3.776 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.148 3.486 5.250 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.267 4.074 4.345 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.061 7.107 3.104 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.341 7.786 3.083 1.00 0.24 C ATOM 1145 C ARG A 293 -2.225 7.194 2.015 1.00 0.24 C ATOM 1146 O ARG A 293 -2.042 7.443 0.836 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.126 9.265 2.834 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.327 9.928 3.945 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.172 10.081 5.200 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.373 10.384 6.387 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.514 9.751 7.553 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -1.428 8.793 7.687 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.251 10.077 8.588 1.00 0.74 N ATOM 0 H ARG A 293 0.428 7.105 2.209 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.834 7.657 4.047 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.606 9.399 1.886 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.093 9.760 2.740 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.558 9.332 4.168 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.022 10.906 3.614 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.902 10.876 5.046 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.732 9.162 5.370 1.00 0.45 H new ATOM 0 HE ARG A 293 0.331 11.119 6.320 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -2.023 8.541 6.897 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -1.534 8.310 8.579 1.00 0.69 H new ATOM 0 HH21 ARG A 293 0.950 10.814 8.494 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.140 9.591 9.478 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.195 6.431 2.437 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.932 5.585 1.533 1.00 0.26 C ATOM 1169 C LEU A 294 -4.991 6.359 0.765 1.00 0.27 C ATOM 1170 O LEU A 294 -5.751 7.165 1.305 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.517 4.425 2.336 1.00 0.38 C ATOM 1172 CG LEU A 294 -4.835 3.118 1.619 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -5.919 3.292 0.583 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -3.586 2.547 1.009 1.00 1.31 C ATOM 0 H LEU A 294 -3.497 6.376 3.410 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.263 5.188 0.770 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.819 4.197 3.142 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.437 4.778 2.801 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.217 2.414 2.358 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -6.114 2.336 0.096 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -6.830 3.646 1.066 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -5.597 4.019 -0.162 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -3.824 1.613 0.499 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -3.174 3.257 0.292 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -2.853 2.356 1.793 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.969 6.085 -0.514 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.820 6.673 -1.511 1.00 0.31 C ATOM 1188 C LEU A 295 -6.978 5.749 -1.844 1.00 0.36 C ATOM 1189 O LEU A 295 -7.120 5.313 -2.985 1.00 0.52 O ATOM 1190 CB LEU A 295 -5.014 6.923 -2.761 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.248 8.231 -2.812 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -3.028 8.196 -1.905 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.863 8.491 -4.243 1.00 0.39 C ATOM 0 H LEU A 295 -4.318 5.406 -0.908 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.220 7.609 -1.122 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -4.304 6.105 -2.880 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.688 6.887 -3.617 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.878 9.042 -2.447 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.502 9.149 -1.966 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.344 8.021 -0.877 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.362 7.393 -2.222 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.310 9.428 -4.306 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -3.238 7.675 -4.606 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.762 8.558 -4.855 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.727 5.410 -0.819 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.827 4.438 -0.895 1.00 0.66 C ATOM 1207 C ASP A 296 -9.650 4.599 -2.169 1.00 0.86 C ATOM 1208 O ASP A 296 -10.217 5.660 -2.422 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.755 4.575 0.323 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.069 4.276 1.643 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -8.275 5.122 2.112 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -9.338 3.208 2.237 1.00 1.97 O ATOM 0 H ASP A 296 -7.597 5.802 0.114 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.370 3.448 -0.905 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.156 5.588 0.352 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -10.602 3.900 0.202 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.680 3.548 -2.979 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.515 3.513 -4.173 1.00 0.87 C ATOM 1219 C GLN A 297 -11.567 2.432 -4.022 1.00 1.60 C ATOM 1220 O GLN A 297 -11.242 1.238 -4.217 1.00 2.38 O ATOM 1221 CB GLN A 297 -9.684 3.271 -5.442 1.00 1.01 C ATOM 1222 CG GLN A 297 -8.661 4.363 -5.722 1.00 2.20 C ATOM 1223 CD GLN A 297 -9.305 5.704 -6.020 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -8.733 6.758 -5.740 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -10.498 5.676 -6.597 1.00 3.77 N ATOM 1226 OXT GLN A 297 -12.710 2.782 -3.679 1.00 2.17 O ATOM 0 H GLN A 297 -9.131 2.702 -2.829 1.00 0.62 H new ATOM 0 HA GLN A 297 -10.997 4.485 -4.279 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -9.167 2.316 -5.350 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -10.357 3.188 -6.296 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -8.000 4.465 -4.862 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -8.041 4.066 -6.568 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -10.939 4.782 -6.813 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -10.975 6.548 -6.825 1.00 3.77 H new TER 1235 GLN A 297