USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 969 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 56 ASN : amide:sc= -8.74! C(o=-12!,f=-6.9!) USER MOD Set 1.2: A 128 GLN : amide:sc= -2.78! K(o=-12!,f=-6.1) USER MOD Set 2.1: A 27 THR OG1 : rot 80:sc= -1.66! USER MOD Set 2.2: A 28 SER OG : rot 111:sc= -0.108 USER MOD Single : A 12 HIS : no HE2:sc= -2.46 X(o=-2.5,f=-2.7!) USER MOD Single : A 13 THR OG1 : rot -63:sc= 0.0156 USER MOD Single : A 14 SER OG : rot -26:sc= 0.262 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 111:sc= 0.334 USER MOD Single : A 37 MET CE :methyl 174:sc= -1.32 (180deg=-1.5) USER MOD Single : A 45 GLN : amide:sc= -10.7! K(o=-11!,f=-2.5) USER MOD Single : A 47 ASN : amide:sc= -2.74! C(o=-2.7!,f=-8.5!) USER MOD Single : A 55 TYR OH : rot -15:sc= -2.34 USER MOD Single : A 65 SER OG : rot 65:sc= -3.95! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 28:sc= 0.851 USER MOD Single : A 71 THR OG1 : rot 29:sc= -8.57! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 155:sc= -1.18 (180deg=-2.56!) USER MOD Single : A 93 THR OG1 : rot 140:sc= -0.675! USER MOD Single : A 97 GLN : amide:sc= 0.661 K(o=0.66,f=-1.8) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.134! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 111 TYR OH : rot -70:sc= -8.31! USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 115 SER OG : rot 59:sc= -0.786! USER MOD Single : A 116 ASN : amide:sc= -0.562 X(o=-0.56,f=-0.11) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 132 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-4.1!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 165:sc= -4.09! USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -3.85! C(o=-3.8!,f=-6.2!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 116:sc= -1.3! USER MOD Single : A 150 THR OG1 : rot -149:sc= -0.118 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -11.407 -8.887 -11.102 1.00 2.11 N ATOM 82 CA VAL A 7 -12.063 -7.730 -11.774 1.00 2.12 C ATOM 83 C VAL A 7 -11.092 -6.549 -11.810 1.00 2.11 C ATOM 84 O VAL A 7 -11.328 -5.520 -11.208 1.00 2.83 O ATOM 85 CB VAL A 7 -13.320 -7.335 -10.995 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.032 -6.191 -11.719 1.00 2.17 C ATOM 87 CG2 VAL A 7 -14.259 -8.540 -10.902 1.00 2.42 C ATOM 0 HA VAL A 7 -12.339 -8.006 -12.792 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.040 -7.011 -9.993 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -14.927 -5.910 -11.164 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -13.364 -5.333 -11.788 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -14.313 -6.514 -12.721 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.155 -8.261 -10.348 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.539 -8.862 -11.905 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -13.753 -9.357 -10.387 1.00 2.42 H new ATOM 97 N GLU A 8 -10.000 -6.688 -12.511 1.00 1.96 N ATOM 98 CA GLU A 8 -9.012 -5.575 -12.584 1.00 2.32 C ATOM 99 C GLU A 8 -9.725 -4.278 -12.973 1.00 2.30 C ATOM 100 O GLU A 8 -9.863 -3.959 -14.136 1.00 2.59 O ATOM 101 CB GLU A 8 -7.946 -5.906 -13.630 1.00 3.06 C ATOM 102 CG GLU A 8 -8.621 -6.298 -14.946 1.00 3.55 C ATOM 103 CD GLU A 8 -8.505 -7.810 -15.148 1.00 4.20 C ATOM 104 OE1 GLU A 8 -8.706 -8.533 -14.187 1.00 4.42 O ATOM 105 OE2 GLU A 8 -8.219 -8.219 -16.261 1.00 4.75 O ATOM 0 H GLU A 8 -9.749 -7.525 -13.037 1.00 1.96 H new ATOM 0 HA GLU A 8 -8.539 -5.448 -11.610 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -7.296 -5.045 -13.786 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -7.316 -6.722 -13.276 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -9.670 -6.002 -14.931 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -8.153 -5.772 -15.778 1.00 3.55 H new ATOM 112 N LEU A 9 -10.175 -3.525 -12.006 1.00 2.76 N ATOM 113 CA LEU A 9 -10.872 -2.249 -12.321 1.00 3.48 C ATOM 114 C LEU A 9 -9.977 -1.393 -13.218 1.00 3.43 C ATOM 115 O LEU A 9 -10.345 -0.312 -13.634 1.00 4.12 O ATOM 116 CB LEU A 9 -11.165 -1.499 -11.020 1.00 3.72 C ATOM 117 CG LEU A 9 -12.537 -1.914 -10.488 1.00 4.22 C ATOM 118 CD1 LEU A 9 -12.479 -3.360 -9.995 1.00 4.95 C ATOM 119 CD2 LEU A 9 -12.931 -0.996 -9.328 1.00 3.49 C ATOM 0 H LEU A 9 -10.089 -3.740 -11.013 1.00 2.76 H new ATOM 0 HA LEU A 9 -11.809 -2.458 -12.838 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.395 -1.719 -10.280 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.141 -0.423 -11.195 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.275 -1.833 -11.286 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -13.458 -3.655 -9.616 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -12.197 -4.015 -10.820 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -11.741 -3.443 -9.197 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -13.909 -1.290 -8.947 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -12.192 -1.079 -8.531 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -12.973 0.035 -9.678 1.00 3.49 H new ATOM 131 N LEU A 10 -8.802 -1.872 -13.522 1.00 2.81 N ATOM 132 CA LEU A 10 -7.877 -1.096 -14.395 1.00 2.72 C ATOM 133 C LEU A 10 -7.167 -2.061 -15.349 1.00 2.86 C ATOM 134 O LEU A 10 -6.173 -2.666 -15.000 1.00 2.83 O ATOM 135 CB LEU A 10 -6.841 -0.376 -13.522 1.00 2.41 C ATOM 136 CG LEU A 10 -6.183 0.766 -14.306 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.870 1.151 -13.624 1.00 1.99 C ATOM 138 CD2 LEU A 10 -5.882 0.328 -15.742 1.00 2.07 C ATOM 0 H LEU A 10 -8.442 -2.771 -13.202 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.437 -0.359 -14.970 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.322 0.019 -12.627 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.081 -1.083 -13.190 1.00 2.41 H new ATOM 0 HG LEU A 10 -6.866 1.615 -14.327 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.397 1.963 -14.177 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -5.072 1.476 -12.603 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.204 0.289 -13.605 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -5.415 1.151 -16.283 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -5.206 -0.527 -15.728 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -6.811 0.047 -16.239 1.00 2.07 H new ATOM 150 N PRO A 11 -7.679 -2.206 -16.543 1.00 3.10 N ATOM 151 CA PRO A 11 -7.090 -3.115 -17.571 1.00 3.32 C ATOM 152 C PRO A 11 -5.611 -2.817 -17.847 1.00 2.96 C ATOM 153 O PRO A 11 -5.157 -2.883 -18.971 1.00 3.09 O ATOM 154 CB PRO A 11 -7.925 -2.853 -18.827 1.00 3.83 C ATOM 155 CG PRO A 11 -9.204 -2.255 -18.343 1.00 3.73 C ATOM 156 CD PRO A 11 -8.880 -1.520 -17.045 1.00 3.29 C ATOM 0 HA PRO A 11 -7.116 -4.153 -17.239 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.408 -2.175 -19.507 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.108 -3.777 -19.376 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -9.616 -1.569 -19.084 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -9.953 -3.028 -18.173 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.691 -0.461 -17.221 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.703 -1.583 -16.333 1.00 3.29 H new ATOM 164 N HIS A 12 -4.857 -2.497 -16.831 1.00 2.52 N ATOM 165 CA HIS A 12 -3.410 -2.204 -17.042 1.00 2.16 C ATOM 166 C HIS A 12 -2.584 -2.948 -15.991 1.00 1.83 C ATOM 167 O HIS A 12 -2.686 -2.686 -14.809 1.00 1.69 O ATOM 168 CB HIS A 12 -3.160 -0.699 -16.916 1.00 2.13 C ATOM 169 CG HIS A 12 -1.849 -0.354 -17.565 1.00 1.93 C ATOM 170 ND1 HIS A 12 -1.557 -0.699 -18.874 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.738 0.307 -17.096 1.00 1.81 C ATOM 172 CE1 HIS A 12 -0.320 -0.250 -19.147 1.00 1.94 C ATOM 173 NE2 HIS A 12 0.225 0.371 -18.098 1.00 1.82 N ATOM 0 H HIS A 12 -5.179 -2.426 -15.866 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.118 -2.533 -18.039 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -3.970 -0.144 -17.389 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.146 -0.408 -15.866 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -2.170 -1.203 -19.515 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -0.630 0.714 -16.102 1.00 1.81 H new ATOM 0 HE1 HIS A 12 0.173 -0.376 -20.099 1.00 1.94 H new ATOM 181 N THR A 13 -1.766 -3.872 -16.413 1.00 1.82 N ATOM 182 CA THR A 13 -0.934 -4.632 -15.439 1.00 1.56 C ATOM 183 C THR A 13 0.324 -5.146 -16.142 1.00 1.39 C ATOM 184 O THR A 13 0.537 -6.335 -16.265 1.00 1.58 O ATOM 185 CB THR A 13 -1.739 -5.814 -14.894 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.866 -6.907 -14.648 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.802 -6.226 -15.914 1.00 1.97 C ATOM 0 H THR A 13 -1.638 -4.134 -17.391 1.00 1.82 H new ATOM 0 HA THR A 13 -0.648 -3.980 -14.614 1.00 1.56 H new ATOM 0 HB THR A 13 -2.227 -5.522 -13.964 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.465 -7.202 -15.492 1.00 1.59 H new ATOM 0 HG21 THR A 13 -3.374 -7.068 -15.524 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.472 -5.387 -16.100 1.00 1.97 H new ATOM 0 HG23 THR A 13 -2.318 -6.517 -16.846 1.00 1.97 H new ATOM 195 N SER A 14 1.159 -4.257 -16.607 1.00 1.20 N ATOM 196 CA SER A 14 2.400 -4.695 -17.303 1.00 1.07 C ATOM 197 C SER A 14 3.422 -3.555 -17.292 1.00 1.04 C ATOM 198 O SER A 14 3.759 -3.001 -18.319 1.00 1.10 O ATOM 199 CB SER A 14 2.070 -5.068 -18.749 1.00 1.14 C ATOM 200 OG SER A 14 0.994 -5.997 -18.758 1.00 1.96 O ATOM 0 H SER A 14 1.035 -3.247 -16.535 1.00 1.20 H new ATOM 0 HA SER A 14 2.816 -5.562 -16.790 1.00 1.07 H new ATOM 0 HB2 SER A 14 1.801 -4.176 -19.315 1.00 1.14 H new ATOM 0 HB3 SER A 14 2.945 -5.501 -19.234 1.00 1.14 H new ATOM 0 HG SER A 14 0.979 -6.489 -17.910 1.00 1.96 H new ATOM 206 N PHE A 15 3.920 -3.202 -16.138 1.00 1.01 N ATOM 207 CA PHE A 15 4.922 -2.101 -16.065 1.00 1.00 C ATOM 208 C PHE A 15 6.214 -2.550 -16.752 1.00 1.00 C ATOM 209 O PHE A 15 7.293 -2.100 -16.421 1.00 0.98 O ATOM 210 CB PHE A 15 5.216 -1.775 -14.598 1.00 0.98 C ATOM 211 CG PHE A 15 4.133 -0.883 -14.033 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.856 -0.865 -14.612 1.00 1.74 C ATOM 213 CD2 PHE A 15 4.407 -0.077 -12.922 1.00 1.11 C ATOM 214 CE1 PHE A 15 1.858 -0.041 -14.078 1.00 1.76 C ATOM 215 CE2 PHE A 15 3.409 0.747 -12.389 1.00 1.14 C ATOM 216 CZ PHE A 15 2.133 0.764 -12.967 1.00 0.95 C ATOM 0 H PHE A 15 3.677 -3.628 -15.244 1.00 1.01 H new ATOM 0 HA PHE A 15 4.528 -1.215 -16.563 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.277 -2.696 -14.019 1.00 0.98 H new ATOM 0 HB3 PHE A 15 6.184 -1.281 -14.515 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.642 -1.486 -15.469 1.00 1.74 H new ATOM 0 HD2 PHE A 15 5.390 -0.091 -12.475 1.00 1.11 H new ATOM 0 HE1 PHE A 15 0.875 -0.027 -14.524 1.00 1.76 H new ATOM 0 HE2 PHE A 15 3.623 1.369 -11.533 1.00 1.14 H new ATOM 0 HZ PHE A 15 1.362 1.398 -12.555 1.00 0.95 H new ATOM 226 N ALA A 16 6.112 -3.441 -17.700 1.00 1.06 N ATOM 227 CA ALA A 16 7.332 -3.929 -18.402 1.00 1.09 C ATOM 228 C ALA A 16 7.618 -3.052 -19.623 1.00 1.10 C ATOM 229 O ALA A 16 8.751 -2.893 -20.031 1.00 1.18 O ATOM 230 CB ALA A 16 7.110 -5.374 -18.858 1.00 1.14 C ATOM 0 H ALA A 16 5.235 -3.852 -18.019 1.00 1.06 H new ATOM 0 HA ALA A 16 8.181 -3.882 -17.720 1.00 1.09 H new ATOM 0 HB1 ALA A 16 8.001 -5.734 -19.372 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.913 -6.003 -17.990 1.00 1.14 H new ATOM 0 HB3 ALA A 16 6.258 -5.415 -19.537 1.00 1.14 H new ATOM 236 N GLU A 17 6.601 -2.487 -20.216 1.00 1.15 N ATOM 237 CA GLU A 17 6.823 -1.631 -21.414 1.00 1.19 C ATOM 238 C GLU A 17 6.558 -0.166 -21.060 1.00 1.29 C ATOM 239 O GLU A 17 7.466 0.583 -20.760 1.00 1.41 O ATOM 240 CB GLU A 17 5.870 -2.066 -22.527 1.00 1.32 C ATOM 241 CG GLU A 17 6.543 -3.137 -23.387 1.00 1.41 C ATOM 242 CD GLU A 17 5.484 -4.104 -23.921 1.00 1.67 C ATOM 243 OE1 GLU A 17 4.544 -3.637 -24.543 1.00 1.96 O ATOM 244 OE2 GLU A 17 5.630 -5.294 -23.697 1.00 2.13 O ATOM 0 H GLU A 17 5.629 -2.582 -19.923 1.00 1.15 H new ATOM 0 HA GLU A 17 7.855 -1.738 -21.750 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.947 -2.456 -22.098 1.00 1.32 H new ATOM 0 HB3 GLU A 17 5.598 -1.209 -23.143 1.00 1.32 H new ATOM 0 HG2 GLU A 17 7.076 -2.671 -24.216 1.00 1.41 H new ATOM 0 HG3 GLU A 17 7.282 -3.680 -22.798 1.00 1.41 H new ATOM 251 N SER A 18 5.322 0.250 -21.096 1.00 1.41 N ATOM 252 CA SER A 18 5.004 1.667 -20.766 1.00 1.64 C ATOM 253 C SER A 18 4.577 1.769 -19.301 1.00 1.51 C ATOM 254 O SER A 18 3.923 0.893 -18.772 1.00 1.30 O ATOM 255 CB SER A 18 3.867 2.158 -21.662 1.00 2.02 C ATOM 256 OG SER A 18 4.318 2.206 -23.009 1.00 2.26 O ATOM 0 H SER A 18 4.519 -0.330 -21.340 1.00 1.41 H new ATOM 0 HA SER A 18 5.888 2.283 -20.930 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.008 1.492 -21.577 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.537 3.146 -21.342 1.00 2.02 H new ATOM 0 HG SER A 18 3.591 2.519 -23.587 1.00 2.26 H new ATOM 262 N LEU A 19 4.942 2.834 -18.642 1.00 1.67 N ATOM 263 CA LEU A 19 4.556 2.993 -17.210 1.00 1.59 C ATOM 264 C LEU A 19 3.040 2.841 -17.072 1.00 1.72 C ATOM 265 O LEU A 19 2.555 2.078 -16.260 1.00 2.45 O ATOM 266 CB LEU A 19 4.978 4.380 -16.720 1.00 1.61 C ATOM 267 CG LEU A 19 6.290 4.270 -15.941 1.00 1.71 C ATOM 268 CD1 LEU A 19 6.936 5.651 -15.831 1.00 2.60 C ATOM 269 CD2 LEU A 19 6.004 3.728 -14.539 1.00 1.37 C ATOM 0 H LEU A 19 5.490 3.601 -19.032 1.00 1.67 H new ATOM 0 HA LEU A 19 5.053 2.230 -16.611 1.00 1.59 H new ATOM 0 HB2 LEU A 19 5.102 5.054 -17.567 1.00 1.61 H new ATOM 0 HB3 LEU A 19 4.201 4.805 -16.085 1.00 1.61 H new ATOM 0 HG LEU A 19 6.967 3.594 -16.463 1.00 1.71 H new ATOM 0 HD11 LEU A 19 7.871 5.572 -15.276 1.00 2.60 H new ATOM 0 HD12 LEU A 19 7.138 6.039 -16.829 1.00 2.60 H new ATOM 0 HD13 LEU A 19 6.260 6.328 -15.309 1.00 2.60 H new ATOM 0 HD21 LEU A 19 6.938 3.649 -13.982 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.327 4.405 -14.018 1.00 1.37 H new ATOM 0 HD23 LEU A 19 5.543 2.743 -14.617 1.00 1.37 H new ATOM 281 N GLY A 20 2.288 3.564 -17.856 1.00 1.44 N ATOM 282 CA GLY A 20 0.803 3.460 -17.767 1.00 1.58 C ATOM 283 C GLY A 20 0.239 4.721 -17.110 1.00 1.59 C ATOM 284 O GLY A 20 0.946 5.683 -16.885 1.00 1.62 O ATOM 0 H GLY A 20 2.637 4.221 -18.554 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.377 3.335 -18.762 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.524 2.580 -17.188 1.00 1.58 H new ATOM 288 N PRO A 21 -1.031 4.710 -16.807 1.00 1.60 N ATOM 289 CA PRO A 21 -1.717 5.867 -16.163 1.00 1.60 C ATOM 290 C PRO A 21 -1.329 6.021 -14.689 1.00 1.43 C ATOM 291 O PRO A 21 -1.509 7.065 -14.096 1.00 1.67 O ATOM 292 CB PRO A 21 -3.203 5.527 -16.290 1.00 1.68 C ATOM 293 CG PRO A 21 -3.263 4.039 -16.399 1.00 1.70 C ATOM 294 CD PRO A 21 -1.952 3.589 -17.046 1.00 1.63 C ATOM 0 HA PRO A 21 -1.445 6.812 -16.634 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.762 5.880 -15.423 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.641 6.003 -17.167 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.385 3.584 -15.416 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.117 3.730 -17.001 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.582 2.667 -16.598 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.079 3.397 -18.112 1.00 1.63 H new ATOM 302 N TRP A 22 -0.798 4.987 -14.097 1.00 1.30 N ATOM 303 CA TRP A 22 -0.398 5.071 -12.664 1.00 1.15 C ATOM 304 C TRP A 22 0.516 6.282 -12.460 1.00 1.24 C ATOM 305 O TRP A 22 0.745 7.059 -13.365 1.00 1.48 O ATOM 306 CB TRP A 22 0.347 3.796 -12.269 1.00 1.19 C ATOM 307 CG TRP A 22 -0.641 2.704 -12.005 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.691 2.397 -12.799 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.694 1.778 -10.881 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.382 1.338 -12.240 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.807 0.921 -11.056 1.00 1.59 C ATOM 312 CE3 TRP A 22 0.109 1.598 -9.741 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.113 -0.079 -10.129 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.195 0.597 -8.807 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.303 -0.241 -8.999 1.00 2.39 C ATOM 0 H TRP A 22 -0.624 4.087 -14.544 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.287 5.179 -12.043 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.030 3.499 -13.065 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.953 3.976 -11.381 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.948 2.898 -13.721 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.215 0.916 -12.652 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.966 2.235 -9.583 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -2.967 -0.721 -10.283 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 0.428 0.471 -7.934 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -1.531 -1.010 -8.276 1.00 2.39 H new ATOM 326 N SER A 23 1.042 6.447 -11.276 1.00 1.20 N ATOM 327 CA SER A 23 1.940 7.607 -11.015 1.00 1.36 C ATOM 328 C SER A 23 3.163 7.139 -10.223 1.00 1.28 C ATOM 329 O SER A 23 3.243 6.001 -9.802 1.00 1.33 O ATOM 330 CB SER A 23 1.185 8.666 -10.210 1.00 1.45 C ATOM 331 OG SER A 23 0.543 9.565 -11.104 1.00 1.64 O ATOM 0 H SER A 23 0.888 5.829 -10.479 1.00 1.20 H new ATOM 0 HA SER A 23 2.264 8.035 -11.964 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.448 8.191 -9.563 1.00 1.45 H new ATOM 0 HB3 SER A 23 1.875 9.208 -9.563 1.00 1.45 H new ATOM 0 HG SER A 23 0.057 10.244 -10.592 1.00 1.64 H new ATOM 337 N LEU A 24 4.114 8.007 -10.016 1.00 1.31 N ATOM 338 CA LEU A 24 5.332 7.612 -9.252 1.00 1.25 C ATOM 339 C LEU A 24 6.257 8.822 -9.107 1.00 1.30 C ATOM 340 O LEU A 24 6.384 9.627 -10.009 1.00 1.47 O ATOM 341 CB LEU A 24 6.066 6.502 -10.004 1.00 1.40 C ATOM 342 CG LEU A 24 6.531 7.030 -11.362 1.00 1.44 C ATOM 343 CD1 LEU A 24 8.013 7.404 -11.288 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.330 5.947 -12.423 1.00 2.05 C ATOM 0 H LEU A 24 4.101 8.973 -10.343 1.00 1.31 H new ATOM 0 HA LEU A 24 5.041 7.254 -8.264 1.00 1.25 H new ATOM 0 HB2 LEU A 24 6.922 6.158 -9.423 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.408 5.644 -10.141 1.00 1.40 H new ATOM 0 HG LEU A 24 5.949 7.913 -11.627 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.342 7.780 -12.257 1.00 2.02 H new ATOM 0 HD12 LEU A 24 8.156 8.176 -10.532 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.598 6.523 -11.023 1.00 2.02 H new ATOM 0 HD21 LEU A 24 6.661 6.321 -13.392 1.00 2.05 H new ATOM 0 HD22 LEU A 24 6.912 5.064 -12.157 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.274 5.683 -12.477 1.00 2.05 H new ATOM 356 N TYR A 25 6.903 8.960 -7.981 1.00 1.23 N ATOM 357 CA TYR A 25 7.817 10.121 -7.787 1.00 1.38 C ATOM 358 C TYR A 25 8.489 10.028 -6.415 1.00 1.34 C ATOM 359 O TYR A 25 8.131 9.209 -5.591 1.00 1.42 O ATOM 360 CB TYR A 25 7.012 11.421 -7.870 1.00 1.72 C ATOM 361 CG TYR A 25 6.413 11.734 -6.519 1.00 1.09 C ATOM 362 CD1 TYR A 25 5.947 10.697 -5.701 1.00 1.22 C ATOM 363 CD2 TYR A 25 6.324 13.062 -6.084 1.00 1.62 C ATOM 364 CE1 TYR A 25 5.393 10.988 -4.450 1.00 1.27 C ATOM 365 CE2 TYR A 25 5.768 13.353 -4.833 1.00 1.57 C ATOM 366 CZ TYR A 25 5.304 12.316 -4.015 1.00 1.08 C ATOM 367 OH TYR A 25 4.757 12.603 -2.781 1.00 1.63 O ATOM 0 H TYR A 25 6.838 8.321 -7.189 1.00 1.23 H new ATOM 0 HA TYR A 25 8.581 10.111 -8.564 1.00 1.38 H new ATOM 0 HB2 TYR A 25 7.656 12.239 -8.192 1.00 1.72 H new ATOM 0 HB3 TYR A 25 6.223 11.325 -8.615 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.015 9.673 -6.036 1.00 1.22 H new ATOM 0 HD2 TYR A 25 6.684 13.862 -6.714 1.00 1.62 H new ATOM 0 HE1 TYR A 25 5.034 10.188 -3.819 1.00 1.27 H new ATOM 0 HE2 TYR A 25 5.697 14.378 -4.499 1.00 1.57 H new ATOM 0 HH TYR A 25 5.460 12.921 -2.177 1.00 1.63 H new ATOM 377 N GLY A 26 9.456 10.866 -6.162 1.00 1.33 N ATOM 378 CA GLY A 26 10.147 10.836 -4.842 1.00 1.32 C ATOM 379 C GLY A 26 11.452 10.044 -4.953 1.00 1.25 C ATOM 380 O GLY A 26 12.403 10.302 -4.243 1.00 1.70 O ATOM 0 H GLY A 26 9.798 11.572 -6.814 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.356 11.852 -4.508 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.499 10.382 -4.093 1.00 1.32 H new ATOM 384 N THR A 27 11.509 9.081 -5.832 1.00 0.93 N ATOM 385 CA THR A 27 12.759 8.283 -5.972 1.00 0.90 C ATOM 386 C THR A 27 13.431 8.625 -7.304 1.00 0.92 C ATOM 387 O THR A 27 13.432 9.760 -7.739 1.00 0.97 O ATOM 388 CB THR A 27 12.408 6.789 -5.926 1.00 0.88 C ATOM 389 OG1 THR A 27 13.284 6.044 -6.760 1.00 0.73 O ATOM 390 CG2 THR A 27 10.966 6.587 -6.392 1.00 0.95 C ATOM 0 H THR A 27 10.748 8.814 -6.456 1.00 0.93 H new ATOM 0 HA THR A 27 13.445 8.516 -5.158 1.00 0.90 H new ATOM 0 HB THR A 27 12.517 6.437 -4.900 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.133 5.895 -6.293 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.718 5.526 -6.359 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.291 7.138 -5.737 1.00 0.95 H new ATOM 0 HG23 THR A 27 10.859 6.953 -7.413 1.00 0.95 H new ATOM 398 N SER A 28 13.994 7.650 -7.955 1.00 1.12 N ATOM 399 CA SER A 28 14.661 7.904 -9.262 1.00 1.40 C ATOM 400 C SER A 28 13.649 7.701 -10.390 1.00 1.29 C ATOM 401 O SER A 28 12.468 7.540 -10.155 1.00 0.98 O ATOM 402 CB SER A 28 15.826 6.930 -9.438 1.00 1.80 C ATOM 403 OG SER A 28 15.410 5.626 -9.058 1.00 1.73 O ATOM 0 H SER A 28 14.022 6.681 -7.637 1.00 1.12 H new ATOM 0 HA SER A 28 15.039 8.926 -9.289 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.161 6.929 -10.475 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.674 7.245 -8.830 1.00 1.80 H new ATOM 0 HG SER A 28 15.362 5.054 -9.852 1.00 1.73 H new ATOM 409 N GLU A 29 14.102 7.697 -11.613 1.00 1.62 N ATOM 410 CA GLU A 29 13.166 7.492 -12.752 1.00 1.60 C ATOM 411 C GLU A 29 13.068 5.993 -13.055 1.00 1.23 C ATOM 412 O GLU A 29 14.019 5.392 -13.515 1.00 1.37 O ATOM 413 CB GLU A 29 13.699 8.226 -13.986 1.00 2.07 C ATOM 414 CG GLU A 29 15.223 8.107 -14.031 1.00 1.86 C ATOM 415 CD GLU A 29 15.719 8.427 -15.443 1.00 1.99 C ATOM 416 OE1 GLU A 29 14.902 8.433 -16.349 1.00 2.40 O ATOM 417 OE2 GLU A 29 16.907 8.662 -15.594 1.00 2.35 O ATOM 0 H GLU A 29 15.080 7.827 -11.872 1.00 1.62 H new ATOM 0 HA GLU A 29 12.181 7.882 -12.495 1.00 1.60 H new ATOM 0 HB2 GLU A 29 13.264 7.802 -14.891 1.00 2.07 H new ATOM 0 HB3 GLU A 29 13.406 9.275 -13.953 1.00 2.07 H new ATOM 0 HG2 GLU A 29 15.673 8.792 -13.312 1.00 1.86 H new ATOM 0 HG3 GLU A 29 15.528 7.100 -13.746 1.00 1.86 H new ATOM 424 N PRO A 30 11.937 5.386 -12.798 1.00 0.95 N ATOM 425 CA PRO A 30 11.742 3.932 -13.050 1.00 0.81 C ATOM 426 C PRO A 30 12.296 3.509 -14.412 1.00 0.80 C ATOM 427 O PRO A 30 12.088 4.172 -15.409 1.00 0.86 O ATOM 428 CB PRO A 30 10.224 3.758 -13.011 1.00 0.94 C ATOM 429 CG PRO A 30 9.719 4.859 -12.139 1.00 1.13 C ATOM 430 CD PRO A 30 10.723 6.011 -12.245 1.00 1.10 C ATOM 0 HA PRO A 30 12.267 3.316 -12.320 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.796 3.822 -14.011 1.00 0.94 H new ATOM 0 HB3 PRO A 30 9.951 2.782 -12.609 1.00 0.94 H new ATOM 0 HG2 PRO A 30 8.728 5.181 -12.459 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.627 4.522 -11.107 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.352 6.803 -12.895 1.00 1.10 H new ATOM 0 HD3 PRO A 30 10.916 6.462 -11.271 1.00 1.10 H new ATOM 438 N VAL A 31 13.007 2.417 -14.465 1.00 0.80 N ATOM 439 CA VAL A 31 13.576 1.967 -15.766 1.00 0.82 C ATOM 440 C VAL A 31 12.980 0.613 -16.155 1.00 0.78 C ATOM 441 O VAL A 31 13.339 -0.411 -15.608 1.00 0.84 O ATOM 442 CB VAL A 31 15.094 1.836 -15.639 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.713 1.690 -17.029 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.657 3.088 -14.961 1.00 1.05 C ATOM 0 H VAL A 31 13.218 1.818 -13.667 1.00 0.80 H new ATOM 0 HA VAL A 31 13.334 2.700 -16.536 1.00 0.82 H new ATOM 0 HB VAL A 31 15.334 0.957 -15.041 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.795 1.597 -16.937 1.00 0.99 H new ATOM 0 HG12 VAL A 31 15.312 0.800 -17.514 1.00 0.99 H new ATOM 0 HG13 VAL A 31 15.474 2.569 -17.628 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.739 2.997 -14.869 1.00 1.05 H new ATOM 0 HG22 VAL A 31 15.416 3.966 -15.561 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.217 3.194 -13.970 1.00 1.05 H new ATOM 454 N PHE A 32 12.080 0.603 -17.105 1.00 0.74 N ATOM 455 CA PHE A 32 11.463 -0.680 -17.548 1.00 0.77 C ATOM 456 C PHE A 32 12.510 -1.522 -18.279 1.00 0.87 C ATOM 457 O PHE A 32 12.524 -1.604 -19.493 1.00 1.19 O ATOM 458 CB PHE A 32 10.285 -0.386 -18.481 1.00 0.78 C ATOM 459 CG PHE A 32 10.511 0.924 -19.198 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.786 1.265 -19.665 1.00 1.50 C ATOM 461 CD2 PHE A 32 9.438 1.801 -19.395 1.00 1.63 C ATOM 462 CE1 PHE A 32 11.987 2.481 -20.329 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.638 3.017 -20.059 1.00 1.82 C ATOM 464 CZ PHE A 32 10.913 3.358 -20.526 1.00 1.56 C ATOM 0 H PHE A 32 11.746 1.433 -17.594 1.00 0.74 H new ATOM 0 HA PHE A 32 11.102 -1.231 -16.680 1.00 0.77 H new ATOM 0 HB2 PHE A 32 10.174 -1.193 -19.206 1.00 0.78 H new ATOM 0 HB3 PHE A 32 9.359 -0.342 -17.908 1.00 0.78 H new ATOM 0 HD1 PHE A 32 12.615 0.590 -19.513 1.00 1.50 H new ATOM 0 HD2 PHE A 32 8.454 1.539 -19.034 1.00 1.63 H new ATOM 0 HE1 PHE A 32 12.971 2.743 -20.690 1.00 1.78 H new ATOM 0 HE2 PHE A 32 8.809 3.692 -20.211 1.00 1.82 H new ATOM 0 HZ PHE A 32 11.068 4.296 -21.038 1.00 1.56 H new ATOM 474 N ALA A 33 13.389 -2.149 -17.546 1.00 0.77 N ATOM 475 CA ALA A 33 14.441 -2.984 -18.190 1.00 0.84 C ATOM 476 C ALA A 33 13.788 -4.110 -18.993 1.00 0.67 C ATOM 477 O ALA A 33 12.782 -3.917 -19.647 1.00 0.92 O ATOM 478 CB ALA A 33 15.343 -3.586 -17.110 1.00 1.17 C ATOM 0 H ALA A 33 13.424 -2.119 -16.527 1.00 0.77 H new ATOM 0 HA ALA A 33 15.035 -2.362 -18.860 1.00 0.84 H new ATOM 0 HB1 ALA A 33 16.114 -4.198 -17.579 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.813 -2.784 -16.540 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.746 -4.205 -16.441 1.00 1.17 H new ATOM 484 N ASP A 34 14.353 -5.286 -18.949 1.00 0.77 N ATOM 485 CA ASP A 34 13.768 -6.426 -19.710 1.00 0.85 C ATOM 486 C ASP A 34 12.242 -6.316 -19.702 1.00 0.84 C ATOM 487 O ASP A 34 11.633 -5.926 -20.678 1.00 0.99 O ATOM 488 CB ASP A 34 14.189 -7.745 -19.057 1.00 1.13 C ATOM 489 CG ASP A 34 14.802 -7.462 -17.685 1.00 1.54 C ATOM 490 OD1 ASP A 34 15.847 -6.834 -17.643 1.00 2.21 O ATOM 491 OD2 ASP A 34 14.217 -7.878 -16.699 1.00 1.78 O ATOM 0 H ASP A 34 15.196 -5.506 -18.418 1.00 0.77 H new ATOM 0 HA ASP A 34 14.128 -6.399 -20.738 1.00 0.85 H new ATOM 0 HB2 ASP A 34 13.326 -8.403 -18.953 1.00 1.13 H new ATOM 0 HB3 ASP A 34 14.910 -8.262 -19.690 1.00 1.13 H new ATOM 496 N GLY A 35 11.620 -6.656 -18.607 1.00 0.84 N ATOM 497 CA GLY A 35 10.135 -6.571 -18.538 1.00 1.02 C ATOM 498 C GLY A 35 9.712 -6.115 -17.141 1.00 0.90 C ATOM 499 O GLY A 35 8.858 -6.712 -16.516 1.00 1.19 O ATOM 0 H GLY A 35 12.076 -6.989 -17.758 1.00 0.84 H new ATOM 0 HA2 GLY A 35 9.765 -5.871 -19.287 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.694 -7.542 -18.764 1.00 1.02 H new ATOM 503 N ARG A 36 10.299 -5.060 -16.647 1.00 0.66 N ATOM 504 CA ARG A 36 9.925 -4.569 -15.291 1.00 0.63 C ATOM 505 C ARG A 36 10.626 -3.237 -15.022 1.00 0.62 C ATOM 506 O ARG A 36 11.701 -2.979 -15.528 1.00 0.68 O ATOM 507 CB ARG A 36 10.343 -5.602 -14.241 1.00 0.70 C ATOM 508 CG ARG A 36 11.850 -5.500 -13.976 1.00 1.16 C ATOM 509 CD ARG A 36 12.478 -6.895 -13.872 1.00 1.40 C ATOM 510 NE ARG A 36 11.452 -7.914 -13.486 1.00 2.02 N ATOM 511 CZ ARG A 36 10.627 -7.703 -12.496 1.00 2.19 C ATOM 512 NH1 ARG A 36 10.761 -6.651 -11.739 1.00 2.28 N ATOM 513 NH2 ARG A 36 9.686 -8.570 -12.240 1.00 2.91 N ATOM 0 H ARG A 36 11.020 -4.518 -17.123 1.00 0.66 H new ATOM 0 HA ARG A 36 8.846 -4.423 -15.238 1.00 0.63 H new ATOM 0 HB2 ARG A 36 9.791 -5.436 -13.316 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.093 -6.605 -14.586 1.00 0.70 H new ATOM 0 HG2 ARG A 36 12.328 -4.939 -14.779 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.025 -4.947 -13.053 1.00 1.16 H new ATOM 0 HD2 ARG A 36 12.927 -7.168 -14.827 1.00 1.40 H new ATOM 0 HD3 ARG A 36 13.280 -6.883 -13.134 1.00 1.40 H new ATOM 0 HE ARG A 36 11.396 -8.790 -14.006 1.00 2.02 H new ATOM 0 HH11 ARG A 36 11.514 -5.986 -11.918 1.00 2.28 H new ATOM 0 HH12 ARG A 36 10.113 -6.492 -10.967 1.00 2.28 H new ATOM 0 HH21 ARG A 36 9.597 -9.409 -12.812 1.00 2.91 H new ATOM 0 HH22 ARG A 36 9.040 -8.408 -11.467 1.00 2.91 H new ATOM 527 N MET A 37 10.028 -2.388 -14.232 1.00 0.63 N ATOM 528 CA MET A 37 10.663 -1.073 -13.941 1.00 0.67 C ATOM 529 C MET A 37 11.161 -1.054 -12.498 1.00 0.68 C ATOM 530 O MET A 37 10.471 -1.461 -11.585 1.00 0.67 O ATOM 531 CB MET A 37 9.643 0.048 -14.152 1.00 0.71 C ATOM 532 CG MET A 37 8.847 0.266 -12.863 1.00 0.75 C ATOM 533 SD MET A 37 7.459 1.379 -13.194 1.00 0.88 S ATOM 534 CE MET A 37 7.394 2.153 -11.560 1.00 0.93 C ATOM 0 H MET A 37 9.129 -2.548 -13.777 1.00 0.63 H new ATOM 0 HA MET A 37 11.507 -0.921 -14.614 1.00 0.67 H new ATOM 0 HB2 MET A 37 10.153 0.968 -14.437 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.969 -0.209 -14.969 1.00 0.71 H new ATOM 0 HG2 MET A 37 8.480 -0.688 -12.484 1.00 0.75 H new ATOM 0 HG3 MET A 37 9.491 0.689 -12.092 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.664 2.963 -11.570 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.103 1.411 -10.817 1.00 0.93 H new ATOM 0 HE3 MET A 37 8.376 2.553 -11.307 1.00 0.93 H new ATOM 544 N CYS A 38 12.363 -0.595 -12.289 1.00 0.73 N ATOM 545 CA CYS A 38 12.909 -0.565 -10.904 1.00 0.78 C ATOM 546 C CYS A 38 13.291 0.862 -10.512 1.00 0.89 C ATOM 547 O CYS A 38 13.906 1.586 -11.267 1.00 0.88 O ATOM 548 CB CYS A 38 14.145 -1.463 -10.826 1.00 0.79 C ATOM 549 SG CYS A 38 13.693 -3.151 -11.297 1.00 1.06 S ATOM 0 H CYS A 38 12.988 -0.241 -13.013 1.00 0.73 H new ATOM 0 HA CYS A 38 12.145 -0.926 -10.216 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.925 -1.086 -11.488 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.552 -1.453 -9.815 1.00 0.79 H new ATOM 554 N VAL A 39 12.934 1.263 -9.320 1.00 1.04 N ATOM 555 CA VAL A 39 13.280 2.633 -8.853 1.00 1.18 C ATOM 556 C VAL A 39 14.412 2.530 -7.828 1.00 1.37 C ATOM 557 O VAL A 39 14.439 1.629 -7.011 1.00 1.26 O ATOM 558 CB VAL A 39 12.057 3.279 -8.199 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.132 3.833 -9.284 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.306 2.230 -7.377 1.00 1.26 C ATOM 0 H VAL A 39 12.416 0.696 -8.649 1.00 1.04 H new ATOM 0 HA VAL A 39 13.596 3.244 -9.699 1.00 1.18 H new ATOM 0 HB VAL A 39 12.379 4.091 -7.547 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.260 4.293 -8.819 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.667 4.579 -9.872 1.00 1.26 H new ATOM 0 HG13 VAL A 39 10.809 3.021 -9.936 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.434 2.689 -6.910 1.00 1.26 H new ATOM 0 HG22 VAL A 39 10.983 1.419 -8.030 1.00 1.26 H new ATOM 0 HG23 VAL A 39 11.965 1.834 -6.604 1.00 1.26 H new ATOM 570 N ASP A 40 15.348 3.437 -7.868 1.00 1.71 N ATOM 571 CA ASP A 40 16.480 3.382 -6.900 1.00 1.97 C ATOM 572 C ASP A 40 16.023 3.896 -5.534 1.00 1.61 C ATOM 573 O ASP A 40 15.837 5.081 -5.336 1.00 2.31 O ATOM 574 CB ASP A 40 17.629 4.253 -7.413 1.00 3.21 C ATOM 575 CG ASP A 40 18.408 3.490 -8.487 1.00 4.09 C ATOM 576 OD1 ASP A 40 17.773 2.881 -9.331 1.00 4.79 O ATOM 577 OD2 ASP A 40 19.627 3.528 -8.445 1.00 4.39 O ATOM 0 H ASP A 40 15.378 4.214 -8.529 1.00 1.71 H new ATOM 0 HA ASP A 40 16.817 2.350 -6.800 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.238 5.184 -7.824 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.291 4.522 -6.590 1.00 3.21 H new ATOM 582 N LEU A 41 15.848 3.016 -4.586 1.00 1.25 N ATOM 583 CA LEU A 41 15.413 3.455 -3.230 1.00 1.86 C ATOM 584 C LEU A 41 16.535 3.176 -2.228 1.00 1.67 C ATOM 585 O LEU A 41 16.513 2.189 -1.518 1.00 1.20 O ATOM 586 CB LEU A 41 14.157 2.685 -2.813 1.00 2.45 C ATOM 587 CG LEU A 41 12.920 3.363 -3.401 1.00 2.88 C ATOM 588 CD1 LEU A 41 13.158 3.671 -4.880 1.00 2.65 C ATOM 589 CD2 LEU A 41 11.715 2.430 -3.265 1.00 3.54 C ATOM 0 H LEU A 41 15.988 2.011 -4.692 1.00 1.25 H new ATOM 0 HA LEU A 41 15.190 4.522 -3.249 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.218 1.654 -3.161 1.00 2.45 H new ATOM 0 HB3 LEU A 41 14.083 2.651 -1.726 1.00 2.45 H new ATOM 0 HG LEU A 41 12.727 4.291 -2.863 1.00 2.88 H new ATOM 0 HD11 LEU A 41 12.275 4.154 -5.298 1.00 2.65 H new ATOM 0 HD12 LEU A 41 14.017 4.335 -4.980 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.352 2.743 -5.418 1.00 2.65 H new ATOM 0 HD21 LEU A 41 10.832 2.913 -3.684 1.00 3.54 H new ATOM 0 HD22 LEU A 41 11.911 1.502 -3.802 1.00 3.54 H new ATOM 0 HD23 LEU A 41 11.542 2.210 -2.212 1.00 3.54 H new ATOM 601 N PRO A 42 17.512 4.041 -2.177 1.00 2.30 N ATOM 602 CA PRO A 42 18.671 3.899 -1.253 1.00 2.32 C ATOM 603 C PRO A 42 18.332 4.338 0.175 1.00 1.85 C ATOM 604 O PRO A 42 17.799 3.577 0.958 1.00 2.18 O ATOM 605 CB PRO A 42 19.725 4.824 -1.861 1.00 3.11 C ATOM 606 CG PRO A 42 18.954 5.880 -2.586 1.00 3.74 C ATOM 607 CD PRO A 42 17.618 5.257 -3.001 1.00 3.24 C ATOM 0 HA PRO A 42 18.997 2.863 -1.163 1.00 2.32 H new ATOM 0 HB2 PRO A 42 20.358 5.260 -1.088 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.381 4.280 -2.541 1.00 3.11 H new ATOM 0 HG2 PRO A 42 18.792 6.747 -1.945 1.00 3.74 H new ATOM 0 HG3 PRO A 42 19.505 6.228 -3.460 1.00 3.74 H new ATOM 0 HD2 PRO A 42 16.787 5.937 -2.815 1.00 3.24 H new ATOM 0 HD3 PRO A 42 17.603 5.019 -4.065 1.00 3.24 H new ATOM 615 N GLY A 43 18.639 5.559 0.518 1.00 1.69 N ATOM 616 CA GLY A 43 18.334 6.042 1.895 1.00 1.65 C ATOM 617 C GLY A 43 18.341 7.572 1.917 1.00 1.62 C ATOM 618 O GLY A 43 19.199 8.207 1.337 1.00 2.03 O ATOM 0 H GLY A 43 19.087 6.242 -0.094 1.00 1.69 H new ATOM 0 HA2 GLY A 43 17.361 5.668 2.215 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.071 5.655 2.598 1.00 1.65 H new ATOM 622 N GLY A 44 17.391 8.168 2.584 1.00 1.61 N ATOM 623 CA GLY A 44 17.342 9.656 2.644 1.00 2.13 C ATOM 624 C GLY A 44 15.908 10.109 2.922 1.00 2.06 C ATOM 625 O GLY A 44 15.668 11.231 3.323 1.00 2.41 O ATOM 0 H GLY A 44 16.646 7.689 3.090 1.00 1.61 H new ATOM 0 HA2 GLY A 44 18.008 10.021 3.426 1.00 2.13 H new ATOM 0 HA3 GLY A 44 17.693 10.080 1.703 1.00 2.13 H new ATOM 629 N GLN A 45 14.952 9.249 2.707 1.00 1.86 N ATOM 630 CA GLN A 45 13.536 9.627 2.949 1.00 1.96 C ATOM 631 C GLN A 45 13.084 9.085 4.307 1.00 1.90 C ATOM 632 O GLN A 45 12.176 8.282 4.394 1.00 1.92 O ATOM 633 CB GLN A 45 12.670 9.018 1.847 1.00 2.10 C ATOM 634 CG GLN A 45 13.492 8.898 0.560 1.00 2.29 C ATOM 635 CD GLN A 45 12.590 9.161 -0.647 1.00 2.34 C ATOM 636 OE1 GLN A 45 13.057 9.575 -1.690 1.00 2.96 O ATOM 637 NE2 GLN A 45 11.309 8.939 -0.548 1.00 2.07 N ATOM 0 H GLN A 45 15.094 8.296 2.372 1.00 1.86 H new ATOM 0 HA GLN A 45 13.438 10.713 2.945 1.00 1.96 H new ATOM 0 HB2 GLN A 45 12.309 8.036 2.154 1.00 2.10 H new ATOM 0 HB3 GLN A 45 11.792 9.640 1.674 1.00 2.10 H new ATOM 0 HG2 GLN A 45 14.316 9.611 0.574 1.00 2.29 H new ATOM 0 HG3 GLN A 45 13.933 7.904 0.489 1.00 2.29 H new ATOM 0 HE21 GLN A 45 10.918 8.592 0.328 1.00 2.07 H new ATOM 0 HE22 GLN A 45 10.698 9.113 -1.346 1.00 2.07 H new ATOM 646 N GLY A 46 13.705 9.520 5.370 1.00 2.04 N ATOM 647 CA GLY A 46 13.305 9.029 6.719 1.00 2.08 C ATOM 648 C GLY A 46 11.788 8.839 6.757 1.00 2.01 C ATOM 649 O GLY A 46 11.277 7.958 7.420 1.00 2.08 O ATOM 0 H GLY A 46 14.471 10.193 5.362 1.00 2.04 H new ATOM 0 HA2 GLY A 46 13.807 8.087 6.940 1.00 2.08 H new ATOM 0 HA3 GLY A 46 13.613 9.741 7.484 1.00 2.08 H new ATOM 653 N ASN A 47 11.065 9.660 6.046 1.00 2.09 N ATOM 654 CA ASN A 47 9.582 9.535 6.028 1.00 2.14 C ATOM 655 C ASN A 47 9.144 8.978 4.670 1.00 1.80 C ATOM 656 O ASN A 47 9.102 9.694 3.693 1.00 1.63 O ATOM 657 CB ASN A 47 8.956 10.917 6.236 1.00 2.60 C ATOM 658 CG ASN A 47 9.890 11.990 5.674 1.00 2.84 C ATOM 659 OD1 ASN A 47 11.064 12.013 5.983 1.00 2.65 O ATOM 660 ND2 ASN A 47 9.414 12.887 4.853 1.00 3.61 N ATOM 0 H ASN A 47 11.441 10.416 5.474 1.00 2.09 H new ATOM 0 HA ASN A 47 9.257 8.864 6.823 1.00 2.14 H new ATOM 0 HB2 ASN A 47 7.987 10.967 5.740 1.00 2.60 H new ATOM 0 HB3 ASN A 47 8.780 11.092 7.297 1.00 2.60 H new ATOM 0 HD21 ASN A 47 10.028 13.606 4.472 1.00 3.61 H new ATOM 0 HD22 ASN A 47 8.428 12.868 4.593 1.00 3.61 H new ATOM 667 N PRO A 48 8.827 7.711 4.604 1.00 1.85 N ATOM 668 CA PRO A 48 8.391 7.059 3.333 1.00 1.74 C ATOM 669 C PRO A 48 7.178 7.757 2.707 1.00 1.36 C ATOM 670 O PRO A 48 6.232 7.118 2.290 1.00 1.19 O ATOM 671 CB PRO A 48 8.019 5.632 3.747 1.00 2.19 C ATOM 672 CG PRO A 48 8.687 5.397 5.062 1.00 2.36 C ATOM 673 CD PRO A 48 8.850 6.763 5.728 1.00 2.21 C ATOM 0 HA PRO A 48 9.176 7.101 2.578 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.938 5.520 3.833 1.00 2.19 H new ATOM 0 HB3 PRO A 48 8.356 4.910 3.004 1.00 2.19 H new ATOM 0 HG2 PRO A 48 8.089 4.732 5.686 1.00 2.36 H new ATOM 0 HG3 PRO A 48 9.656 4.917 4.923 1.00 2.36 H new ATOM 0 HD2 PRO A 48 8.044 6.962 6.434 1.00 2.21 H new ATOM 0 HD3 PRO A 48 9.785 6.827 6.285 1.00 2.21 H new ATOM 681 N TRP A 49 7.188 9.060 2.652 1.00 1.49 N ATOM 682 CA TRP A 49 6.021 9.785 2.068 1.00 1.39 C ATOM 683 C TRP A 49 6.424 10.570 0.817 1.00 1.17 C ATOM 684 O TRP A 49 6.120 11.738 0.679 1.00 1.45 O ATOM 685 CB TRP A 49 5.441 10.726 3.126 1.00 1.79 C ATOM 686 CG TRP A 49 6.104 12.074 3.108 1.00 1.85 C ATOM 687 CD1 TRP A 49 5.504 13.201 3.555 1.00 1.69 C ATOM 688 CD2 TRP A 49 7.445 12.478 2.665 1.00 2.46 C ATOM 689 NE1 TRP A 49 6.373 14.263 3.422 1.00 1.97 N ATOM 690 CE2 TRP A 49 7.578 13.875 2.878 1.00 2.36 C ATOM 691 CE3 TRP A 49 8.549 11.799 2.106 1.00 3.27 C ATOM 692 CZ2 TRP A 49 8.750 14.563 2.557 1.00 2.90 C ATOM 693 CZ3 TRP A 49 9.726 12.492 1.783 1.00 3.87 C ATOM 694 CH2 TRP A 49 9.827 13.868 2.007 1.00 3.62 C ATOM 0 H TRP A 49 7.949 9.653 2.984 1.00 1.49 H new ATOM 0 HA TRP A 49 5.267 9.058 1.767 1.00 1.39 H new ATOM 0 HB2 TRP A 49 4.371 10.846 2.956 1.00 1.79 H new ATOM 0 HB3 TRP A 49 5.558 10.278 4.113 1.00 1.79 H new ATOM 0 HD1 TRP A 49 4.502 13.260 3.953 1.00 1.69 H new ATOM 0 HE1 TRP A 49 6.151 15.221 3.694 1.00 1.97 H new ATOM 0 HE3 TRP A 49 8.487 10.736 1.925 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 8.822 15.626 2.733 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 10.562 11.957 1.357 1.00 3.87 H new ATOM 0 HH2 TRP A 49 10.737 14.392 1.755 1.00 3.62 H new ATOM 705 N ASP A 50 7.101 9.933 -0.100 1.00 1.07 N ATOM 706 CA ASP A 50 7.519 10.635 -1.348 1.00 1.36 C ATOM 707 C ASP A 50 7.953 9.604 -2.392 1.00 1.21 C ATOM 708 O ASP A 50 7.432 9.561 -3.489 1.00 1.27 O ATOM 709 CB ASP A 50 8.693 11.567 -1.043 1.00 1.73 C ATOM 710 CG ASP A 50 8.168 12.955 -0.668 1.00 2.02 C ATOM 711 OD1 ASP A 50 6.972 13.166 -0.773 1.00 2.38 O ATOM 712 OD2 ASP A 50 8.975 13.788 -0.288 1.00 2.14 O ATOM 0 H ASP A 50 7.383 8.955 -0.039 1.00 1.07 H new ATOM 0 HA ASP A 50 6.681 11.217 -1.732 1.00 1.36 H new ATOM 0 HB2 ASP A 50 9.289 11.161 -0.226 1.00 1.73 H new ATOM 0 HB3 ASP A 50 9.348 11.638 -1.911 1.00 1.73 H new ATOM 717 N ALA A 51 8.907 8.778 -2.062 1.00 1.09 N ATOM 718 CA ALA A 51 9.379 7.755 -3.037 1.00 1.02 C ATOM 719 C ALA A 51 8.426 6.560 -3.026 1.00 0.89 C ATOM 720 O ALA A 51 8.237 5.913 -2.016 1.00 0.87 O ATOM 721 CB ALA A 51 10.783 7.290 -2.648 1.00 1.11 C ATOM 0 H ALA A 51 9.380 8.767 -1.159 1.00 1.09 H new ATOM 0 HA ALA A 51 9.403 8.190 -4.036 1.00 1.02 H new ATOM 0 HB1 ALA A 51 11.129 6.542 -3.361 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.464 8.141 -2.657 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.758 6.855 -1.649 1.00 1.11 H new ATOM 727 N GLY A 52 7.823 6.258 -4.145 1.00 0.86 N ATOM 728 CA GLY A 52 6.886 5.101 -4.189 1.00 0.86 C ATOM 729 C GLY A 52 5.994 5.196 -5.427 1.00 0.87 C ATOM 730 O GLY A 52 6.084 6.127 -6.203 1.00 0.94 O ATOM 0 H GLY A 52 7.939 6.760 -5.025 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.449 4.168 -4.207 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.272 5.086 -3.289 1.00 0.86 H new ATOM 734 N LEU A 53 5.127 4.238 -5.611 1.00 0.83 N ATOM 735 CA LEU A 53 4.219 4.262 -6.791 1.00 0.84 C ATOM 736 C LEU A 53 2.848 4.779 -6.354 1.00 0.79 C ATOM 737 O LEU A 53 2.566 4.893 -5.177 1.00 0.78 O ATOM 738 CB LEU A 53 4.078 2.849 -7.362 1.00 0.85 C ATOM 739 CG LEU A 53 5.457 2.296 -7.726 1.00 0.90 C ATOM 740 CD1 LEU A 53 6.146 3.243 -8.712 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.311 2.170 -6.463 1.00 0.96 C ATOM 0 H LEU A 53 5.009 3.436 -4.991 1.00 0.83 H new ATOM 0 HA LEU A 53 4.632 4.917 -7.559 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.597 2.198 -6.632 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.439 2.866 -8.245 1.00 0.85 H new ATOM 0 HG LEU A 53 5.340 1.314 -8.185 1.00 0.90 H new ATOM 0 HD11 LEU A 53 7.128 2.848 -8.970 1.00 0.90 H new ATOM 0 HD12 LEU A 53 5.541 3.331 -9.615 1.00 0.90 H new ATOM 0 HD13 LEU A 53 6.259 4.226 -8.254 1.00 0.90 H new ATOM 0 HD21 LEU A 53 7.293 1.776 -6.725 1.00 0.96 H new ATOM 0 HD22 LEU A 53 6.425 3.151 -6.002 1.00 0.96 H new ATOM 0 HD23 LEU A 53 5.824 1.493 -5.761 1.00 0.96 H new ATOM 753 N VAL A 54 1.989 5.098 -7.284 1.00 0.79 N ATOM 754 CA VAL A 54 0.643 5.611 -6.902 1.00 0.78 C ATOM 755 C VAL A 54 -0.353 5.351 -8.036 1.00 0.80 C ATOM 756 O VAL A 54 0.024 5.035 -9.146 1.00 0.90 O ATOM 757 CB VAL A 54 0.725 7.117 -6.638 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.029 7.458 -5.351 1.00 0.92 C ATOM 759 CG2 VAL A 54 2.190 7.538 -6.491 1.00 0.92 C ATOM 0 H VAL A 54 2.160 5.026 -8.287 1.00 0.79 H new ATOM 0 HA VAL A 54 0.308 5.098 -6.001 1.00 0.78 H new ATOM 0 HB VAL A 54 0.275 7.649 -7.476 1.00 0.89 H new ATOM 0 HG11 VAL A 54 0.032 8.531 -5.167 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.074 7.166 -5.453 1.00 0.92 H new ATOM 0 HG13 VAL A 54 0.417 6.920 -4.514 1.00 0.92 H new ATOM 0 HG21 VAL A 54 2.243 8.610 -6.303 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.641 7.001 -5.657 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.730 7.303 -7.408 1.00 0.92 H new ATOM 769 N TYR A 55 -1.623 5.487 -7.761 1.00 0.78 N ATOM 770 CA TYR A 55 -2.647 5.254 -8.820 1.00 0.82 C ATOM 771 C TYR A 55 -4.047 5.329 -8.205 1.00 0.81 C ATOM 772 O TYR A 55 -4.319 4.734 -7.182 1.00 1.06 O ATOM 773 CB TYR A 55 -2.438 3.871 -9.438 1.00 0.83 C ATOM 774 CG TYR A 55 -3.683 3.463 -10.190 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.162 4.263 -11.235 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.361 2.288 -9.841 1.00 1.54 C ATOM 777 CE1 TYR A 55 -5.318 3.891 -11.929 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.517 1.915 -10.538 1.00 1.71 C ATOM 779 CZ TYR A 55 -5.996 2.716 -11.581 1.00 1.37 C ATOM 780 OH TYR A 55 -7.138 2.349 -12.263 1.00 1.61 O ATOM 0 H TYR A 55 -1.995 5.749 -6.848 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.548 6.017 -9.592 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.582 3.888 -10.112 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.216 3.142 -8.659 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.638 5.168 -11.505 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -3.993 1.670 -9.035 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -5.688 4.510 -12.733 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.039 1.008 -10.270 1.00 1.71 H new ATOM 0 HH TYR A 55 -7.470 3.113 -12.779 1.00 1.61 H new ATOM 790 N ASN A 56 -4.937 6.056 -8.823 1.00 0.93 N ATOM 791 CA ASN A 56 -6.317 6.170 -8.280 1.00 1.01 C ATOM 792 C ASN A 56 -7.243 5.209 -9.029 1.00 1.28 C ATOM 793 O ASN A 56 -7.037 4.912 -10.189 1.00 2.04 O ATOM 794 CB ASN A 56 -6.816 7.605 -8.461 1.00 1.81 C ATOM 795 CG ASN A 56 -6.448 8.435 -7.229 1.00 2.22 C ATOM 796 OD1 ASN A 56 -7.236 9.230 -6.761 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.273 8.280 -6.681 1.00 2.47 N ATOM 0 H ASN A 56 -4.766 6.577 -9.683 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.313 5.916 -7.220 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.373 8.045 -9.354 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.896 7.610 -8.606 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.017 8.827 -5.859 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -4.611 7.612 -7.075 1.00 2.47 H new ATOM 804 N GLY A 57 -8.262 4.721 -8.376 1.00 1.18 N ATOM 805 CA GLY A 57 -9.199 3.781 -9.054 1.00 1.77 C ATOM 806 C GLY A 57 -9.357 2.516 -8.209 1.00 1.64 C ATOM 807 O GLY A 57 -9.188 1.413 -8.689 1.00 2.48 O ATOM 0 H GLY A 57 -8.486 4.932 -7.404 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.168 4.258 -9.197 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -8.820 3.525 -10.043 1.00 1.77 H new ATOM 811 N VAL A 58 -9.682 2.667 -6.955 1.00 1.34 N ATOM 812 CA VAL A 58 -9.851 1.472 -6.080 1.00 1.99 C ATOM 813 C VAL A 58 -11.009 1.711 -5.109 1.00 1.78 C ATOM 814 O VAL A 58 -10.809 1.884 -3.923 1.00 1.95 O ATOM 815 CB VAL A 58 -8.563 1.232 -5.289 1.00 2.93 C ATOM 816 CG1 VAL A 58 -8.634 -0.131 -4.597 1.00 3.79 C ATOM 817 CG2 VAL A 58 -7.368 1.257 -6.243 1.00 2.88 C ATOM 0 H VAL A 58 -9.838 3.565 -6.498 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.067 0.599 -6.695 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.447 2.014 -4.539 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -7.716 -0.301 -4.034 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -9.486 -0.150 -3.917 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -8.750 -0.914 -5.346 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -6.450 1.086 -5.681 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -7.485 0.475 -6.993 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -7.316 2.228 -6.736 1.00 2.88 H new ATOM 827 N PRO A 59 -12.211 1.720 -5.615 1.00 1.85 N ATOM 828 CA PRO A 59 -13.433 1.941 -4.791 1.00 1.84 C ATOM 829 C PRO A 59 -13.442 1.078 -3.526 1.00 1.90 C ATOM 830 O PRO A 59 -12.997 -0.052 -3.531 1.00 2.05 O ATOM 831 CB PRO A 59 -14.577 1.536 -5.722 1.00 2.07 C ATOM 832 CG PRO A 59 -14.050 1.725 -7.106 1.00 2.39 C ATOM 833 CD PRO A 59 -12.535 1.517 -7.037 1.00 2.40 C ATOM 0 HA PRO A 59 -13.503 2.970 -4.438 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -14.873 0.501 -5.553 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.460 2.152 -5.550 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.507 1.013 -7.794 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.286 2.723 -7.476 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.254 0.519 -7.372 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.005 2.227 -7.672 1.00 2.40 H new ATOM 841 N VAL A 60 -13.946 1.603 -2.443 1.00 2.10 N ATOM 842 CA VAL A 60 -13.982 0.813 -1.179 1.00 2.46 C ATOM 843 C VAL A 60 -15.410 0.793 -0.631 1.00 2.53 C ATOM 844 O VAL A 60 -15.999 1.823 -0.368 1.00 2.50 O ATOM 845 CB VAL A 60 -13.050 1.455 -0.151 1.00 2.79 C ATOM 846 CG1 VAL A 60 -12.870 0.507 1.037 1.00 3.08 C ATOM 847 CG2 VAL A 60 -11.689 1.724 -0.796 1.00 2.93 C ATOM 0 H VAL A 60 -14.334 2.544 -2.378 1.00 2.10 H new ATOM 0 HA VAL A 60 -13.655 -0.208 -1.378 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.482 2.394 0.195 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.206 0.964 1.770 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -13.839 0.312 1.497 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.437 -0.432 0.691 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.024 2.182 -0.064 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.258 0.784 -1.141 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -11.815 2.398 -1.643 1.00 2.93 H new ATOM 857 N GLY A 61 -15.972 -0.372 -0.455 1.00 2.83 N ATOM 858 CA GLY A 61 -17.361 -0.457 0.077 1.00 3.05 C ATOM 859 C GLY A 61 -17.326 -0.979 1.514 1.00 2.72 C ATOM 860 O GLY A 61 -17.356 -2.170 1.753 1.00 2.61 O ATOM 0 H GLY A 61 -15.529 -1.268 -0.657 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -17.834 0.525 0.047 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -17.961 -1.119 -0.547 1.00 3.05 H new ATOM 864 N GLU A 62 -17.263 -0.096 2.473 1.00 3.03 N ATOM 865 CA GLU A 62 -17.225 -0.542 3.895 1.00 2.96 C ATOM 866 C GLU A 62 -18.217 -1.690 4.096 1.00 2.29 C ATOM 867 O GLU A 62 -19.403 -1.542 3.877 1.00 2.02 O ATOM 868 CB GLU A 62 -17.608 0.627 4.805 1.00 4.03 C ATOM 869 CG GLU A 62 -18.041 0.090 6.171 1.00 4.32 C ATOM 870 CD GLU A 62 -19.490 -0.395 6.093 1.00 5.32 C ATOM 871 OE1 GLU A 62 -20.287 0.281 5.462 1.00 6.05 O ATOM 872 OE2 GLU A 62 -19.778 -1.432 6.667 1.00 5.54 O ATOM 0 H GLU A 62 -17.236 0.914 2.334 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.220 -0.883 4.143 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -16.762 1.304 4.920 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -18.417 1.202 4.355 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -17.388 -0.728 6.475 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -17.948 0.870 6.927 1.00 4.32 H new ATOM 879 N GLY A 63 -17.744 -2.831 4.515 1.00 2.54 N ATOM 880 CA GLY A 63 -18.664 -3.984 4.733 1.00 2.46 C ATOM 881 C GLY A 63 -18.062 -5.250 4.122 1.00 2.21 C ATOM 882 O GLY A 63 -18.004 -6.287 4.754 1.00 2.29 O ATOM 0 H GLY A 63 -16.761 -3.015 4.716 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -18.833 -4.129 5.800 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -19.634 -3.777 4.281 1.00 2.46 H new ATOM 886 N GLU A 64 -17.614 -5.178 2.898 1.00 2.23 N ATOM 887 CA GLU A 64 -17.021 -6.381 2.250 1.00 2.27 C ATOM 888 C GLU A 64 -15.495 -6.296 2.308 1.00 2.19 C ATOM 889 O GLU A 64 -14.934 -5.349 2.822 1.00 2.81 O ATOM 890 CB GLU A 64 -17.472 -6.440 0.789 1.00 2.70 C ATOM 891 CG GLU A 64 -18.771 -7.242 0.687 1.00 3.18 C ATOM 892 CD GLU A 64 -19.785 -6.704 1.699 1.00 3.59 C ATOM 893 OE1 GLU A 64 -19.893 -5.494 1.813 1.00 4.03 O ATOM 894 OE2 GLU A 64 -20.436 -7.510 2.342 1.00 3.92 O ATOM 0 H GLU A 64 -17.633 -4.338 2.319 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.352 -7.278 2.774 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.624 -5.432 0.403 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.698 -6.902 0.177 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -19.176 -7.171 -0.322 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -18.575 -8.297 0.878 1.00 3.18 H new ATOM 901 N SER A 65 -14.818 -7.282 1.785 1.00 1.71 N ATOM 902 CA SER A 65 -13.328 -7.261 1.809 1.00 1.83 C ATOM 903 C SER A 65 -12.796 -7.306 0.375 1.00 1.49 C ATOM 904 O SER A 65 -13.327 -7.995 -0.473 1.00 1.87 O ATOM 905 CB SER A 65 -12.812 -8.475 2.582 1.00 2.37 C ATOM 906 OG SER A 65 -13.128 -8.323 3.959 1.00 2.91 O ATOM 0 H SER A 65 -15.233 -8.102 1.342 1.00 1.71 H new ATOM 0 HA SER A 65 -12.985 -6.348 2.297 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.263 -9.388 2.192 1.00 2.37 H new ATOM 0 HB3 SER A 65 -11.734 -8.572 2.453 1.00 2.37 H new ATOM 0 HG SER A 65 -14.101 -8.333 4.074 1.00 2.91 H new ATOM 912 N TYR A 66 -11.753 -6.573 0.095 1.00 1.14 N ATOM 913 CA TYR A 66 -11.191 -6.568 -1.282 1.00 1.22 C ATOM 914 C TYR A 66 -9.842 -7.290 -1.285 1.00 1.63 C ATOM 915 O TYR A 66 -9.393 -7.791 -0.272 1.00 2.01 O ATOM 916 CB TYR A 66 -10.995 -5.121 -1.732 1.00 1.29 C ATOM 917 CG TYR A 66 -12.309 -4.560 -2.221 1.00 1.20 C ATOM 918 CD1 TYR A 66 -13.221 -4.019 -1.308 1.00 1.47 C ATOM 919 CD2 TYR A 66 -12.614 -4.581 -3.588 1.00 1.79 C ATOM 920 CE1 TYR A 66 -14.439 -3.498 -1.760 1.00 1.86 C ATOM 921 CE2 TYR A 66 -13.832 -4.058 -4.040 1.00 1.98 C ATOM 922 CZ TYR A 66 -14.744 -3.516 -3.127 1.00 1.87 C ATOM 923 OH TYR A 66 -15.944 -3.002 -3.573 1.00 2.38 O ATOM 0 H TYR A 66 -11.266 -5.976 0.764 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.874 -7.078 -1.962 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.617 -4.520 -0.905 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -10.250 -5.074 -2.526 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.985 -4.003 -0.254 1.00 1.47 H new ATOM 0 HD2 TYR A 66 -11.911 -5.000 -4.293 1.00 1.79 H new ATOM 0 HE1 TYR A 66 -15.143 -3.082 -1.055 1.00 1.86 H new ATOM 0 HE2 TYR A 66 -14.068 -4.073 -5.094 1.00 1.98 H new ATOM 0 HH TYR A 66 -15.996 -3.092 -4.547 1.00 2.38 H new ATOM 933 N VAL A 67 -9.188 -7.346 -2.413 1.00 1.69 N ATOM 934 CA VAL A 67 -7.868 -8.034 -2.477 1.00 2.07 C ATOM 935 C VAL A 67 -7.028 -7.424 -3.600 1.00 2.20 C ATOM 936 O VAL A 67 -7.481 -7.277 -4.718 1.00 2.22 O ATOM 937 CB VAL A 67 -8.082 -9.523 -2.752 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.748 -10.262 -2.638 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.068 -10.093 -1.729 1.00 2.54 C ATOM 0 H VAL A 67 -9.511 -6.945 -3.293 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.348 -7.911 -1.527 1.00 2.07 H new ATOM 0 HB VAL A 67 -8.483 -9.652 -3.757 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.902 -11.323 -2.834 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -6.044 -9.857 -3.365 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.346 -10.133 -1.633 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.222 -11.154 -1.924 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -8.666 -9.963 -0.724 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -10.020 -9.568 -1.809 1.00 2.54 H new ATOM 949 N LEU A 68 -5.805 -7.066 -3.314 1.00 2.36 N ATOM 950 CA LEU A 68 -4.939 -6.465 -4.370 1.00 2.59 C ATOM 951 C LEU A 68 -3.823 -7.448 -4.733 1.00 2.17 C ATOM 952 O LEU A 68 -3.356 -8.197 -3.900 1.00 2.07 O ATOM 953 CB LEU A 68 -4.330 -5.162 -3.848 1.00 3.01 C ATOM 954 CG LEU A 68 -3.631 -4.429 -4.992 1.00 3.40 C ATOM 955 CD1 LEU A 68 -3.463 -2.953 -4.624 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.255 -5.050 -5.248 1.00 3.61 C ATOM 0 H LEU A 68 -5.369 -7.163 -2.397 1.00 2.36 H new ATOM 0 HA LEU A 68 -5.536 -6.254 -5.257 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -5.109 -4.531 -3.420 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -3.618 -5.375 -3.050 1.00 3.01 H new ATOM 0 HG LEU A 68 -4.236 -4.516 -5.895 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -2.964 -2.429 -5.440 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -4.443 -2.507 -4.452 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -2.862 -2.870 -3.718 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.764 -4.522 -6.065 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -1.647 -4.971 -4.347 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -2.374 -6.100 -5.515 1.00 3.61 H new ATOM 968 N SER A 69 -3.390 -7.453 -5.965 1.00 1.98 N ATOM 969 CA SER A 69 -2.303 -8.394 -6.364 1.00 1.66 C ATOM 970 C SER A 69 -1.210 -7.624 -7.108 1.00 1.53 C ATOM 971 O SER A 69 -1.261 -7.462 -8.311 1.00 1.60 O ATOM 972 CB SER A 69 -2.878 -9.487 -7.265 1.00 1.82 C ATOM 973 OG SER A 69 -3.921 -8.942 -8.061 1.00 2.27 O ATOM 0 H SER A 69 -3.740 -6.850 -6.709 1.00 1.98 H new ATOM 0 HA SER A 69 -1.873 -8.855 -5.475 1.00 1.66 H new ATOM 0 HB2 SER A 69 -2.095 -9.897 -7.903 1.00 1.82 H new ATOM 0 HB3 SER A 69 -3.259 -10.309 -6.660 1.00 1.82 H new ATOM 0 HG SER A 69 -3.756 -7.987 -8.208 1.00 2.27 H new ATOM 979 N PHE A 70 -0.226 -7.138 -6.399 1.00 1.38 N ATOM 980 CA PHE A 70 0.860 -6.369 -7.071 1.00 1.30 C ATOM 981 C PHE A 70 2.046 -7.277 -7.409 1.00 1.23 C ATOM 982 O PHE A 70 2.442 -8.115 -6.626 1.00 1.40 O ATOM 983 CB PHE A 70 1.326 -5.213 -6.181 1.00 1.34 C ATOM 984 CG PHE A 70 1.774 -5.726 -4.833 1.00 1.31 C ATOM 985 CD1 PHE A 70 3.041 -6.306 -4.688 1.00 1.23 C ATOM 986 CD2 PHE A 70 0.929 -5.606 -3.723 1.00 1.96 C ATOM 987 CE1 PHE A 70 3.462 -6.762 -3.432 1.00 1.35 C ATOM 988 CE2 PHE A 70 1.348 -6.066 -2.469 1.00 2.01 C ATOM 989 CZ PHE A 70 2.615 -6.643 -2.324 1.00 1.48 C ATOM 0 H PHE A 70 -0.128 -7.240 -5.389 1.00 1.38 H new ATOM 0 HA PHE A 70 0.459 -5.964 -8.000 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.146 -4.682 -6.665 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.515 -4.497 -6.052 1.00 1.34 H new ATOM 0 HD1 PHE A 70 3.693 -6.402 -5.544 1.00 1.23 H new ATOM 0 HD2 PHE A 70 -0.047 -5.158 -3.834 1.00 1.96 H new ATOM 0 HE1 PHE A 70 4.440 -7.205 -3.319 1.00 1.35 H new ATOM 0 HE2 PHE A 70 0.694 -5.976 -1.614 1.00 2.01 H new ATOM 0 HZ PHE A 70 2.939 -6.997 -1.356 1.00 1.48 H new ATOM 999 N THR A 71 2.628 -7.094 -8.563 1.00 1.13 N ATOM 1000 CA THR A 71 3.805 -7.920 -8.953 1.00 1.16 C ATOM 1001 C THR A 71 5.079 -7.135 -8.638 1.00 1.11 C ATOM 1002 O THR A 71 5.179 -5.961 -8.938 1.00 1.39 O ATOM 1003 CB THR A 71 3.762 -8.198 -10.458 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.214 -7.071 -11.124 1.00 1.15 O ATOM 1005 CG2 THR A 71 2.904 -9.429 -10.755 1.00 1.80 C ATOM 0 H THR A 71 2.337 -6.404 -9.256 1.00 1.13 H new ATOM 0 HA THR A 71 3.789 -8.862 -8.405 1.00 1.16 H new ATOM 0 HB THR A 71 4.776 -8.387 -10.811 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.415 -6.259 -10.613 1.00 1.15 H new ATOM 0 HG21 THR A 71 2.886 -9.609 -11.830 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.325 -10.297 -10.248 1.00 1.80 H new ATOM 0 HG23 THR A 71 1.888 -9.259 -10.399 1.00 1.80 H new ATOM 1013 N ALA A 72 6.055 -7.760 -8.043 1.00 0.96 N ATOM 1014 CA ALA A 72 7.308 -7.020 -7.730 1.00 0.87 C ATOM 1015 C ALA A 72 8.205 -7.851 -6.811 1.00 0.81 C ATOM 1016 O ALA A 72 7.962 -9.017 -6.568 1.00 0.85 O ATOM 1017 CB ALA A 72 6.959 -5.703 -7.033 1.00 0.81 C ATOM 0 H ALA A 72 6.041 -8.741 -7.762 1.00 0.96 H new ATOM 0 HA ALA A 72 7.840 -6.822 -8.661 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.875 -5.159 -6.803 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.334 -5.098 -7.690 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.419 -5.912 -6.109 1.00 0.81 H new ATOM 1023 N SER A 73 9.241 -7.247 -6.300 1.00 0.75 N ATOM 1024 CA SER A 73 10.169 -7.976 -5.392 1.00 0.72 C ATOM 1025 C SER A 73 11.115 -6.967 -4.740 1.00 0.64 C ATOM 1026 O SER A 73 11.463 -5.961 -5.327 1.00 0.84 O ATOM 1027 CB SER A 73 10.979 -8.994 -6.196 1.00 0.82 C ATOM 1028 OG SER A 73 12.172 -8.380 -6.663 1.00 0.93 O ATOM 0 H SER A 73 9.486 -6.272 -6.474 1.00 0.75 H new ATOM 0 HA SER A 73 9.600 -8.500 -4.624 1.00 0.72 H new ATOM 0 HB2 SER A 73 11.219 -9.857 -5.575 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.391 -9.361 -7.038 1.00 0.82 H new ATOM 0 HG SER A 73 12.695 -9.030 -7.177 1.00 0.93 H new ATOM 1034 N ALA A 74 11.529 -7.218 -3.528 1.00 0.66 N ATOM 1035 CA ALA A 74 12.444 -6.261 -2.846 1.00 0.59 C ATOM 1036 C ALA A 74 13.865 -6.824 -2.829 1.00 0.61 C ATOM 1037 O ALA A 74 14.084 -7.979 -2.519 1.00 0.67 O ATOM 1038 CB ALA A 74 11.967 -6.035 -1.410 1.00 0.59 C ATOM 0 H ALA A 74 11.274 -8.041 -2.983 1.00 0.66 H new ATOM 0 HA ALA A 74 12.440 -5.314 -3.386 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.636 -5.335 -0.910 1.00 0.59 H new ATOM 0 HB2 ALA A 74 10.957 -5.626 -1.422 1.00 0.59 H new ATOM 0 HB3 ALA A 74 11.968 -6.983 -0.873 1.00 0.59 H new ATOM 1044 N THR A 75 14.832 -6.015 -3.163 1.00 0.62 N ATOM 1045 CA THR A 75 16.241 -6.491 -3.170 1.00 0.72 C ATOM 1046 C THR A 75 17.123 -5.476 -2.429 1.00 0.72 C ATOM 1047 O THR A 75 17.253 -4.348 -2.862 1.00 0.74 O ATOM 1048 CB THR A 75 16.711 -6.602 -4.619 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.018 -5.650 -5.412 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.429 -8.009 -5.147 1.00 0.97 C ATOM 0 H THR A 75 14.705 -5.040 -3.433 1.00 0.62 H new ATOM 0 HA THR A 75 16.311 -7.461 -2.677 1.00 0.72 H new ATOM 0 HB THR A 75 17.783 -6.409 -4.668 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.319 -5.718 -6.342 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.766 -8.084 -6.181 1.00 0.97 H new ATOM 0 HG22 THR A 75 16.961 -8.740 -4.538 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.358 -8.208 -5.099 1.00 0.97 H new ATOM 1058 N PRO A 76 17.732 -5.851 -1.328 1.00 0.77 N ATOM 1059 CA PRO A 76 17.625 -7.218 -0.729 1.00 0.83 C ATOM 1060 C PRO A 76 16.212 -7.523 -0.223 1.00 0.73 C ATOM 1061 O PRO A 76 15.227 -7.134 -0.818 1.00 0.68 O ATOM 1062 CB PRO A 76 18.604 -7.191 0.453 1.00 0.97 C ATOM 1063 CG PRO A 76 19.453 -5.978 0.262 1.00 1.02 C ATOM 1064 CD PRO A 76 18.610 -4.986 -0.532 1.00 0.85 C ATOM 0 HA PRO A 76 17.850 -7.989 -1.466 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.068 -7.146 1.401 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.214 -8.094 0.474 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.749 -5.556 1.222 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.370 -6.225 -0.274 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.040 -4.328 0.123 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.228 -4.349 -1.165 1.00 0.85 H new ATOM 1072 N ASP A 77 16.108 -8.207 0.881 1.00 0.81 N ATOM 1073 CA ASP A 77 14.763 -8.531 1.435 1.00 0.76 C ATOM 1074 C ASP A 77 14.486 -7.635 2.643 1.00 0.72 C ATOM 1075 O ASP A 77 15.388 -7.245 3.357 1.00 0.78 O ATOM 1076 CB ASP A 77 14.723 -9.997 1.871 1.00 0.91 C ATOM 1077 CG ASP A 77 15.678 -10.816 1.000 1.00 1.09 C ATOM 1078 OD1 ASP A 77 15.964 -10.379 -0.102 1.00 1.30 O ATOM 1079 OD2 ASP A 77 16.107 -11.864 1.452 1.00 1.75 O ATOM 0 H ASP A 77 16.897 -8.557 1.425 1.00 0.81 H new ATOM 0 HA ASP A 77 14.006 -8.362 0.669 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.007 -10.083 2.920 1.00 0.91 H new ATOM 0 HB3 ASP A 77 13.709 -10.386 1.782 1.00 0.91 H new ATOM 1084 N MET A 78 13.245 -7.303 2.874 1.00 0.75 N ATOM 1085 CA MET A 78 12.909 -6.428 4.034 1.00 0.87 C ATOM 1086 C MET A 78 11.418 -6.080 3.998 1.00 0.89 C ATOM 1087 O MET A 78 10.798 -6.077 2.952 1.00 0.93 O ATOM 1088 CB MET A 78 13.732 -5.138 3.952 1.00 1.01 C ATOM 1089 CG MET A 78 13.715 -4.606 2.518 1.00 1.19 C ATOM 1090 SD MET A 78 14.980 -3.323 2.338 1.00 1.83 S ATOM 1091 CE MET A 78 16.412 -4.355 2.737 1.00 2.16 C ATOM 0 H MET A 78 12.449 -7.600 2.310 1.00 0.75 H new ATOM 0 HA MET A 78 13.138 -6.952 4.962 1.00 0.87 H new ATOM 0 HB2 MET A 78 13.323 -4.391 4.632 1.00 1.01 H new ATOM 0 HB3 MET A 78 14.758 -5.329 4.267 1.00 1.01 H new ATOM 0 HG2 MET A 78 13.902 -5.418 1.815 1.00 1.19 H new ATOM 0 HG3 MET A 78 12.732 -4.199 2.281 1.00 1.19 H new ATOM 0 HE1 MET A 78 17.305 -3.931 2.278 1.00 2.16 H new ATOM 0 HE2 MET A 78 16.543 -4.393 3.818 1.00 2.16 H new ATOM 0 HE3 MET A 78 16.251 -5.363 2.355 1.00 2.16 H new ATOM 1101 N PRO A 79 10.850 -5.782 5.137 1.00 0.96 N ATOM 1102 CA PRO A 79 9.411 -5.413 5.243 1.00 1.04 C ATOM 1103 C PRO A 79 9.136 -4.019 4.672 1.00 1.13 C ATOM 1104 O PRO A 79 9.652 -3.028 5.150 1.00 1.28 O ATOM 1105 CB PRO A 79 9.131 -5.441 6.747 1.00 1.12 C ATOM 1106 CG PRO A 79 10.454 -5.227 7.404 1.00 1.38 C ATOM 1107 CD PRO A 79 11.519 -5.771 6.449 1.00 1.11 C ATOM 0 HA PRO A 79 8.775 -6.092 4.675 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.423 -4.662 7.029 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.694 -6.393 7.047 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.619 -4.168 7.603 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.496 -5.743 8.363 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.407 -5.138 6.439 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.843 -6.770 6.740 1.00 1.11 H new ATOM 1115 N VAL A 80 8.329 -3.937 3.650 1.00 1.13 N ATOM 1116 CA VAL A 80 8.026 -2.610 3.047 1.00 1.31 C ATOM 1117 C VAL A 80 6.700 -2.086 3.603 1.00 1.45 C ATOM 1118 O VAL A 80 6.054 -2.732 4.404 1.00 1.98 O ATOM 1119 CB VAL A 80 7.926 -2.753 1.527 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.889 -3.844 1.056 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.496 -3.135 1.138 1.00 1.79 C ATOM 0 H VAL A 80 7.867 -4.731 3.207 1.00 1.13 H new ATOM 0 HA VAL A 80 8.822 -1.908 3.293 1.00 1.31 H new ATOM 0 HB VAL A 80 8.187 -1.805 1.057 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.820 -3.948 -0.027 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.908 -3.572 1.330 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.626 -4.790 1.529 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.428 -3.236 0.055 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.232 -4.082 1.608 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.808 -2.359 1.474 1.00 1.79 H new ATOM 1131 N ARG A 81 6.290 -0.919 3.186 1.00 1.48 N ATOM 1132 CA ARG A 81 5.009 -0.355 3.693 1.00 1.84 C ATOM 1133 C ARG A 81 4.051 -0.121 2.523 1.00 2.04 C ATOM 1134 O ARG A 81 4.465 0.132 1.409 1.00 2.57 O ATOM 1135 CB ARG A 81 5.282 0.972 4.403 1.00 2.24 C ATOM 1136 CG ARG A 81 4.015 1.829 4.390 1.00 2.95 C ATOM 1137 CD ARG A 81 4.200 3.028 5.324 1.00 4.04 C ATOM 1138 NE ARG A 81 3.024 3.145 6.236 1.00 4.81 N ATOM 1139 CZ ARG A 81 1.809 2.989 5.782 1.00 5.14 C ATOM 1140 NH1 ARG A 81 1.599 2.805 4.508 1.00 4.94 N ATOM 1141 NH2 ARG A 81 0.798 3.041 6.606 1.00 6.01 N ATOM 0 H ARG A 81 6.788 -0.333 2.516 1.00 1.48 H new ATOM 0 HA ARG A 81 4.557 -1.057 4.394 1.00 1.84 H new ATOM 0 HB2 ARG A 81 5.599 0.789 5.430 1.00 2.24 H new ATOM 0 HB3 ARG A 81 6.096 1.501 3.908 1.00 2.24 H new ATOM 0 HG2 ARG A 81 3.806 2.173 3.377 1.00 2.95 H new ATOM 0 HG3 ARG A 81 3.158 1.235 4.708 1.00 2.95 H new ATOM 0 HD2 ARG A 81 5.113 2.909 5.907 1.00 4.04 H new ATOM 0 HD3 ARG A 81 4.311 3.942 4.740 1.00 4.04 H new ATOM 0 HE ARG A 81 3.171 3.349 7.225 1.00 4.81 H new ATOM 0 HH11 ARG A 81 2.386 2.782 3.859 1.00 4.94 H new ATOM 0 HH12 ARG A 81 0.648 2.684 4.160 1.00 4.94 H new ATOM 0 HH21 ARG A 81 0.958 3.203 7.600 1.00 6.01 H new ATOM 0 HH22 ARG A 81 -0.152 2.920 6.256 1.00 6.01 H new ATOM 1155 N VAL A 82 2.773 -0.198 2.770 1.00 2.00 N ATOM 1156 CA VAL A 82 1.784 0.022 1.680 1.00 2.41 C ATOM 1157 C VAL A 82 0.579 0.779 2.242 1.00 1.99 C ATOM 1158 O VAL A 82 0.222 0.627 3.393 1.00 1.85 O ATOM 1159 CB VAL A 82 1.333 -1.328 1.123 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.163 -2.325 2.270 1.00 3.76 C ATOM 1161 CG2 VAL A 82 -0.001 -1.167 0.391 1.00 3.57 C ATOM 0 H VAL A 82 2.370 -0.405 3.684 1.00 2.00 H new ATOM 0 HA VAL A 82 2.239 0.606 0.880 1.00 2.41 H new ATOM 0 HB VAL A 82 2.086 -1.696 0.427 1.00 3.05 H new ATOM 0 HG11 VAL A 82 0.841 -3.287 1.871 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.113 -2.447 2.790 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.413 -1.952 2.968 1.00 3.76 H new ATOM 0 HG21 VAL A 82 -0.318 -2.132 -0.004 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.754 -0.794 1.085 1.00 3.57 H new ATOM 0 HG23 VAL A 82 0.118 -0.460 -0.430 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.048 1.597 1.444 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.222 2.363 1.949 1.00 1.82 C ATOM 1173 C LEU A 83 -2.274 2.502 0.846 1.00 1.64 C ATOM 1174 O LEU A 83 -1.957 2.578 -0.324 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.771 3.754 2.398 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.684 4.681 1.184 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -2.014 5.417 1.008 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.437 5.700 1.401 1.00 1.42 C ATOM 0 H LEU A 83 0.199 1.768 0.469 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.658 1.828 2.793 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.474 4.158 3.127 1.00 2.29 H new ATOM 0 HB3 LEU A 83 0.199 3.691 2.891 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.473 4.092 0.291 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -1.953 6.078 0.143 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.813 4.692 0.855 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -2.225 6.006 1.900 1.00 1.99 H new ATOM 0 HD21 LEU A 83 0.500 6.361 0.537 1.00 1.42 H new ATOM 0 HD22 LEU A 83 0.226 6.289 2.294 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.385 5.177 1.527 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.525 2.543 1.217 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.606 2.683 0.198 1.00 1.53 C ATOM 1192 C VAL A 84 -5.833 3.327 0.844 1.00 1.46 C ATOM 1193 O VAL A 84 -5.951 3.383 2.052 1.00 1.51 O ATOM 1194 CB VAL A 84 -4.991 1.304 -0.342 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.350 1.414 -1.824 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.813 0.341 -0.176 1.00 1.84 C ATOM 0 H VAL A 84 -3.846 2.486 2.183 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.247 3.307 -0.621 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.850 0.928 0.213 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.624 0.431 -2.206 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.191 2.097 -1.945 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.492 1.793 -2.379 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.089 -0.641 -0.561 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -2.953 0.719 -0.729 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.557 0.258 0.880 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.752 3.809 0.051 1.00 1.45 N ATOM 1207 CA GLY A 85 -7.972 4.442 0.624 1.00 1.49 C ATOM 1208 C GLY A 85 -8.509 5.496 -0.345 1.00 1.17 C ATOM 1209 O GLY A 85 -8.536 5.295 -1.543 1.00 1.15 O ATOM 0 H GLY A 85 -6.710 3.791 -0.968 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.733 3.684 0.811 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.738 4.902 1.584 1.00 1.49 H new ATOM 1213 N GLU A 86 -8.938 6.619 0.163 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.474 7.685 -0.728 1.00 1.19 C ATOM 1215 C GLU A 86 -8.336 8.614 -1.154 1.00 1.21 C ATOM 1216 O GLU A 86 -7.206 8.460 -0.735 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.538 8.490 0.023 1.00 1.44 C ATOM 1218 CG GLU A 86 -9.863 9.596 0.838 1.00 1.42 C ATOM 1219 CD GLU A 86 -8.707 9.002 1.645 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -8.825 7.862 2.063 1.00 2.54 O ATOM 1221 OE2 GLU A 86 -7.722 9.698 1.831 1.00 2.03 O ATOM 0 H GLU A 86 -8.940 6.844 1.158 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.920 7.230 -1.612 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.246 8.925 -0.683 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.107 7.834 0.682 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -9.493 10.377 0.174 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -10.586 10.062 1.507 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.624 9.578 -1.985 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.557 10.515 -2.437 1.00 1.38 C ATOM 1230 C GLY A 87 -8.024 11.958 -2.234 1.00 1.20 C ATOM 1231 O GLY A 87 -8.073 12.741 -3.162 1.00 1.26 O ATOM 0 H GLY A 87 -9.551 9.757 -2.370 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.640 10.336 -1.876 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.327 10.341 -3.488 1.00 1.38 H new ATOM 1280 N ARG A 92 -7.805 10.699 5.314 1.00 2.28 N ATOM 1281 CA ARG A 92 -7.860 9.459 6.139 1.00 2.12 C ATOM 1282 C ARG A 92 -7.922 8.238 5.219 1.00 1.84 C ATOM 1283 O ARG A 92 -7.823 8.352 4.013 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.106 9.492 7.027 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.344 9.729 6.162 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.544 10.043 7.059 1.00 3.19 C ATOM 1287 NE ARG A 92 -11.125 9.976 8.488 1.00 4.00 N ATOM 1288 CZ ARG A 92 -11.886 10.490 9.415 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -13.013 11.063 9.091 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -11.520 10.433 10.667 1.00 5.74 N ATOM 0 HA ARG A 92 -6.970 9.399 6.765 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -9.203 8.552 7.570 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -9.013 10.282 7.772 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -10.166 10.555 5.473 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -10.551 8.847 5.556 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -11.934 11.034 6.829 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -12.349 9.332 6.871 1.00 3.19 H new ATOM 0 HE ARG A 92 -10.244 9.529 8.741 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -13.299 11.109 8.113 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -13.608 11.465 9.816 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -10.639 9.987 10.921 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -12.115 10.835 11.391 1.00 5.74 H new ATOM 1304 N THR A 93 -8.084 7.069 5.778 1.00 1.67 N ATOM 1305 CA THR A 93 -8.151 5.844 4.933 1.00 1.74 C ATOM 1306 C THR A 93 -8.342 4.611 5.816 1.00 1.95 C ATOM 1307 O THR A 93 -8.414 4.700 7.025 1.00 2.27 O ATOM 1308 CB THR A 93 -6.849 5.688 4.145 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.586 4.306 3.953 1.00 2.15 O ATOM 1310 CG2 THR A 93 -5.696 6.319 4.928 1.00 1.74 C ATOM 0 H THR A 93 -8.173 6.910 6.782 1.00 1.67 H new ATOM 0 HA THR A 93 -8.992 5.938 4.246 1.00 1.74 H new ATOM 0 HB THR A 93 -6.944 6.185 3.180 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.246 4.161 3.045 1.00 2.15 H new ATOM 0 HG21 THR A 93 -4.769 6.207 4.365 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.899 7.378 5.085 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.597 5.822 5.893 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.415 3.459 5.209 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.588 2.208 5.993 1.00 2.71 C ATOM 1320 C ALA A 94 -7.452 1.245 5.645 1.00 2.70 C ATOM 1321 O ALA A 94 -7.128 0.352 6.402 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.931 1.565 5.643 1.00 3.28 C ATOM 0 H ALA A 94 -8.362 3.332 4.198 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.568 2.434 7.059 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -10.056 0.648 6.219 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.739 2.257 5.882 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.956 1.332 4.579 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.841 1.422 4.503 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.727 0.518 4.110 1.00 2.32 C ATOM 1330 C PHE A 95 -4.403 1.105 4.605 1.00 1.89 C ATOM 1331 O PHE A 95 -3.417 1.115 3.896 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.689 0.410 2.587 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.167 -0.948 2.175 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.130 -1.557 2.894 1.00 3.27 C ATOM 1335 CD2 PHE A 95 -5.719 -1.594 1.063 1.00 3.34 C ATOM 1336 CE1 PHE A 95 -3.647 -2.809 2.499 1.00 3.55 C ATOM 1337 CE2 PHE A 95 -5.236 -2.847 0.669 1.00 3.65 C ATOM 1338 CZ PHE A 95 -4.201 -3.454 1.387 1.00 3.60 C ATOM 0 H PHE A 95 -7.067 2.153 3.828 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.878 -0.468 4.549 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.688 0.563 2.179 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -5.053 1.193 2.175 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.704 -1.060 3.753 1.00 3.27 H new ATOM 0 HD2 PHE A 95 -6.518 -1.125 0.508 1.00 3.34 H new ATOM 0 HE1 PHE A 95 -2.847 -3.278 3.052 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -5.662 -3.345 -0.189 1.00 3.65 H new ATOM 0 HZ PHE A 95 -3.829 -4.421 1.083 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.371 1.600 5.809 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.107 2.187 6.331 1.00 2.11 C ATOM 1350 C GLU A 96 -2.251 1.082 6.955 1.00 1.99 C ATOM 1351 O GLU A 96 -1.942 1.112 8.131 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.431 3.243 7.389 1.00 2.46 C ATOM 1353 CG GLU A 96 -4.584 2.751 8.266 1.00 3.05 C ATOM 1354 CD GLU A 96 -4.628 3.569 9.558 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -3.606 3.656 10.218 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -5.686 4.097 9.865 1.00 4.04 O ATOM 0 H GLU A 96 -5.162 1.624 6.452 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.558 2.653 5.512 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -2.552 3.440 8.003 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.701 4.183 6.909 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -5.529 2.846 7.730 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -4.454 1.694 8.497 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.864 0.108 6.178 1.00 2.12 N ATOM 1364 CA GLN A 97 -1.028 -0.997 6.724 1.00 2.35 C ATOM 1365 C GLN A 97 0.437 -0.745 6.354 1.00 2.76 C ATOM 1366 O GLN A 97 0.737 0.021 5.461 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.511 -2.328 6.132 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.317 -3.214 5.766 1.00 2.67 C ATOM 1369 CD GLN A 97 -0.821 -4.583 5.302 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -1.918 -4.698 4.792 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -0.061 -5.631 5.459 1.00 3.46 N ATOM 0 H GLN A 97 -2.091 0.030 5.187 1.00 2.12 H new ATOM 0 HA GLN A 97 -1.116 -1.040 7.810 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -2.148 -2.843 6.851 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.118 -2.140 5.246 1.00 2.59 H new ATOM 0 HG2 GLN A 97 0.270 -2.744 4.977 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.341 -3.330 6.627 1.00 2.67 H new ATOM 0 HE21 GLN A 97 0.860 -5.534 5.887 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -0.387 -6.548 5.154 1.00 3.46 H new ATOM 1380 N GLY A 98 1.352 -1.380 7.034 1.00 2.66 N ATOM 1381 CA GLY A 98 2.792 -1.168 6.718 1.00 3.12 C ATOM 1382 C GLY A 98 3.519 -2.515 6.685 1.00 2.94 C ATOM 1383 O GLY A 98 4.485 -2.690 5.968 1.00 3.67 O ATOM 0 H GLY A 98 1.165 -2.035 7.793 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.893 -0.666 5.756 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.246 -0.517 7.466 1.00 3.12 H new ATOM 1387 N SER A 99 3.068 -3.465 7.457 1.00 2.31 N ATOM 1388 CA SER A 99 3.737 -4.794 7.472 1.00 2.54 C ATOM 1389 C SER A 99 3.501 -5.509 6.139 1.00 2.05 C ATOM 1390 O SER A 99 2.491 -6.155 5.940 1.00 1.87 O ATOM 1391 CB SER A 99 3.157 -5.635 8.609 1.00 3.04 C ATOM 1392 OG SER A 99 2.736 -4.775 9.660 1.00 3.79 O ATOM 0 H SER A 99 2.264 -3.377 8.078 1.00 2.31 H new ATOM 0 HA SER A 99 4.808 -4.659 7.621 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.315 -6.226 8.247 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.905 -6.338 8.976 1.00 3.04 H new ATOM 0 HG SER A 99 2.362 -5.310 10.391 1.00 3.79 H new ATOM 1398 N ALA A 100 4.429 -5.405 5.226 1.00 1.96 N ATOM 1399 CA ALA A 100 4.257 -6.085 3.911 1.00 1.63 C ATOM 1400 C ALA A 100 5.581 -6.738 3.501 1.00 1.41 C ATOM 1401 O ALA A 100 6.304 -6.228 2.669 1.00 1.39 O ATOM 1402 CB ALA A 100 3.841 -5.061 2.853 1.00 1.76 C ATOM 0 H ALA A 100 5.297 -4.880 5.334 1.00 1.96 H new ATOM 0 HA ALA A 100 3.484 -6.849 3.995 1.00 1.63 H new ATOM 0 HB1 ALA A 100 3.716 -5.561 1.892 1.00 1.76 H new ATOM 0 HB2 ALA A 100 2.899 -4.597 3.146 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.611 -4.295 2.766 1.00 1.76 H new ATOM 1408 N PRO A 101 5.889 -7.861 4.092 1.00 1.67 N ATOM 1409 CA PRO A 101 7.145 -8.614 3.804 1.00 1.70 C ATOM 1410 C PRO A 101 7.362 -8.851 2.306 1.00 1.06 C ATOM 1411 O PRO A 101 6.560 -9.481 1.646 1.00 1.45 O ATOM 1412 CB PRO A 101 6.946 -9.948 4.527 1.00 2.69 C ATOM 1413 CG PRO A 101 5.951 -9.675 5.606 1.00 2.97 C ATOM 1414 CD PRO A 101 5.064 -8.535 5.106 1.00 2.35 C ATOM 0 HA PRO A 101 8.024 -8.061 4.135 1.00 1.70 H new ATOM 0 HB2 PRO A 101 6.582 -10.714 3.843 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.885 -10.312 4.943 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.356 -10.564 5.818 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.452 -9.398 6.533 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.134 -8.911 4.679 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.792 -7.857 5.915 1.00 2.35 H new ATOM 1422 N LEU A 102 8.446 -8.360 1.767 1.00 0.99 N ATOM 1423 CA LEU A 102 8.715 -8.568 0.316 1.00 1.10 C ATOM 1424 C LEU A 102 10.193 -8.907 0.118 1.00 0.93 C ATOM 1425 O LEU A 102 11.066 -8.258 0.658 1.00 1.33 O ATOM 1426 CB LEU A 102 8.374 -7.296 -0.461 1.00 2.00 C ATOM 1427 CG LEU A 102 6.874 -7.265 -0.759 1.00 2.39 C ATOM 1428 CD1 LEU A 102 6.427 -5.822 -0.995 1.00 3.06 C ATOM 1429 CD2 LEU A 102 6.588 -8.097 -2.011 1.00 2.31 C ATOM 0 H LEU A 102 9.155 -7.825 2.268 1.00 0.99 H new ATOM 0 HA LEU A 102 8.099 -9.389 -0.052 1.00 1.10 H new ATOM 0 HB2 LEU A 102 8.659 -6.417 0.117 1.00 2.00 H new ATOM 0 HB3 LEU A 102 8.941 -7.263 -1.391 1.00 2.00 H new ATOM 0 HG LEU A 102 6.328 -7.679 0.089 1.00 2.39 H new ATOM 0 HD11 LEU A 102 5.358 -5.802 -1.207 1.00 3.06 H new ATOM 0 HD12 LEU A 102 6.631 -5.228 -0.104 1.00 3.06 H new ATOM 0 HD13 LEU A 102 6.973 -5.406 -1.842 1.00 3.06 H new ATOM 0 HD21 LEU A 102 5.519 -8.076 -2.225 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.136 -7.682 -2.857 1.00 2.31 H new ATOM 0 HD23 LEU A 102 6.905 -9.127 -1.844 1.00 2.31 H new ATOM 1441 N THR A 103 10.482 -9.921 -0.652 1.00 1.21 N ATOM 1442 CA THR A 103 11.905 -10.300 -0.881 1.00 1.09 C ATOM 1443 C THR A 103 12.166 -10.422 -2.383 1.00 1.38 C ATOM 1444 O THR A 103 11.534 -9.767 -3.188 1.00 1.81 O ATOM 1445 CB THR A 103 12.191 -11.642 -0.203 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.521 -12.044 -0.498 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.210 -12.696 -0.718 1.00 2.34 C ATOM 0 H THR A 103 9.795 -10.502 -1.132 1.00 1.21 H new ATOM 0 HA THR A 103 12.557 -9.534 -0.461 1.00 1.09 H new ATOM 0 HB THR A 103 12.073 -11.538 0.876 1.00 1.79 H new ATOM 0 HG1 THR A 103 13.707 -12.902 -0.063 1.00 2.04 H new ATOM 0 HG21 THR A 103 11.415 -13.651 -0.234 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.190 -12.386 -0.491 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.325 -12.804 -1.797 1.00 2.34 H new ATOM 1455 N GLY A 104 13.095 -11.255 -2.767 1.00 1.62 N ATOM 1456 CA GLY A 104 13.397 -11.418 -4.217 1.00 2.17 C ATOM 1457 C GLY A 104 12.563 -12.566 -4.790 1.00 1.60 C ATOM 1458 O GLY A 104 13.090 -13.525 -5.317 1.00 1.83 O ATOM 0 H GLY A 104 13.657 -11.829 -2.139 1.00 1.62 H new ATOM 0 HA2 GLY A 104 13.177 -10.494 -4.751 1.00 2.17 H new ATOM 0 HA3 GLY A 104 14.459 -11.621 -4.357 1.00 2.17 H new ATOM 1462 N GLU A 105 11.265 -12.475 -4.690 1.00 1.22 N ATOM 1463 CA GLU A 105 10.399 -13.561 -5.229 1.00 1.09 C ATOM 1464 C GLU A 105 9.384 -12.966 -6.208 1.00 1.06 C ATOM 1465 O GLU A 105 8.263 -12.670 -5.849 1.00 1.08 O ATOM 1466 CB GLU A 105 9.657 -14.242 -4.078 1.00 1.40 C ATOM 1467 CG GLU A 105 10.634 -15.114 -3.284 1.00 1.95 C ATOM 1468 CD GLU A 105 10.057 -16.524 -3.135 1.00 2.43 C ATOM 1469 OE1 GLU A 105 9.999 -17.227 -4.132 1.00 3.02 O ATOM 1470 OE2 GLU A 105 9.683 -16.877 -2.030 1.00 2.75 O ATOM 0 H GLU A 105 10.767 -11.696 -4.259 1.00 1.22 H new ATOM 0 HA GLU A 105 11.017 -14.294 -5.747 1.00 1.09 H new ATOM 0 HB2 GLU A 105 9.210 -13.492 -3.426 1.00 1.40 H new ATOM 0 HB3 GLU A 105 8.842 -14.852 -4.467 1.00 1.40 H new ATOM 0 HG2 GLU A 105 11.597 -15.156 -3.793 1.00 1.95 H new ATOM 0 HG3 GLU A 105 10.812 -14.677 -2.301 1.00 1.95 H new ATOM 1477 N PRO A 106 9.784 -12.793 -7.438 1.00 1.08 N ATOM 1478 CA PRO A 106 8.906 -12.224 -8.501 1.00 1.12 C ATOM 1479 C PRO A 106 7.533 -12.900 -8.540 1.00 1.24 C ATOM 1480 O PRO A 106 7.426 -14.104 -8.659 1.00 1.42 O ATOM 1481 CB PRO A 106 9.674 -12.500 -9.794 1.00 1.26 C ATOM 1482 CG PRO A 106 11.108 -12.613 -9.392 1.00 1.20 C ATOM 1483 CD PRO A 106 11.122 -13.125 -7.950 1.00 1.13 C ATOM 0 HA PRO A 106 8.701 -11.166 -8.334 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.326 -13.418 -10.268 1.00 1.26 H new ATOM 0 HB3 PRO A 106 9.531 -11.695 -10.515 1.00 1.26 H new ATOM 0 HG2 PRO A 106 11.642 -13.298 -10.051 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.607 -11.647 -9.464 1.00 1.20 H new ATOM 0 HD2 PRO A 106 11.309 -14.198 -7.910 1.00 1.13 H new ATOM 0 HD3 PRO A 106 11.904 -12.643 -7.363 1.00 1.13 H new ATOM 1491 N ALA A 107 6.481 -12.133 -8.441 1.00 1.17 N ATOM 1492 CA ALA A 107 5.117 -12.732 -8.473 1.00 1.31 C ATOM 1493 C ALA A 107 4.112 -11.742 -7.881 1.00 1.24 C ATOM 1494 O ALA A 107 4.477 -10.691 -7.390 1.00 1.04 O ATOM 1495 CB ALA A 107 5.107 -14.022 -7.651 1.00 1.37 C ATOM 0 H ALA A 107 6.508 -11.118 -8.339 1.00 1.17 H new ATOM 0 HA ALA A 107 4.842 -12.956 -9.504 1.00 1.31 H new ATOM 0 HB1 ALA A 107 4.109 -14.460 -7.674 1.00 1.37 H new ATOM 0 HB2 ALA A 107 5.823 -14.727 -8.072 1.00 1.37 H new ATOM 0 HB3 ALA A 107 5.381 -13.799 -6.620 1.00 1.37 H new ATOM 1501 N THR A 108 2.849 -12.068 -7.924 1.00 1.45 N ATOM 1502 CA THR A 108 1.820 -11.147 -7.364 1.00 1.43 C ATOM 1503 C THR A 108 1.581 -11.468 -5.889 1.00 1.38 C ATOM 1504 O THR A 108 1.357 -12.605 -5.523 1.00 1.47 O ATOM 1505 CB THR A 108 0.497 -11.330 -8.117 1.00 1.60 C ATOM 1506 OG1 THR A 108 0.409 -12.668 -8.585 1.00 1.72 O ATOM 1507 CG2 THR A 108 0.412 -10.372 -9.306 1.00 1.66 C ATOM 0 H THR A 108 2.485 -12.933 -8.323 1.00 1.45 H new ATOM 0 HA THR A 108 2.176 -10.122 -7.470 1.00 1.43 H new ATOM 0 HB THR A 108 -0.326 -11.113 -7.437 1.00 1.60 H new ATOM 0 HG1 THR A 108 -0.436 -12.791 -9.066 1.00 1.72 H new ATOM 0 HG21 THR A 108 -0.535 -10.520 -9.825 1.00 1.66 H new ATOM 0 HG22 THR A 108 0.474 -9.344 -8.950 1.00 1.66 H new ATOM 0 HG23 THR A 108 1.236 -10.569 -9.992 1.00 1.66 H new ATOM 1515 N ARG A 109 1.581 -10.474 -5.044 1.00 1.33 N ATOM 1516 CA ARG A 109 1.303 -10.739 -3.607 1.00 1.32 C ATOM 1517 C ARG A 109 -0.149 -10.356 -3.354 1.00 1.37 C ATOM 1518 O ARG A 109 -0.638 -9.386 -3.896 1.00 1.49 O ATOM 1519 CB ARG A 109 2.212 -9.903 -2.712 1.00 1.27 C ATOM 1520 CG ARG A 109 3.470 -10.703 -2.369 1.00 1.97 C ATOM 1521 CD ARG A 109 4.221 -11.053 -3.653 1.00 2.63 C ATOM 1522 NE ARG A 109 4.586 -9.799 -4.370 1.00 3.48 N ATOM 1523 CZ ARG A 109 5.482 -9.828 -5.319 1.00 3.74 C ATOM 1524 NH1 ARG A 109 6.057 -10.955 -5.638 1.00 3.39 N ATOM 1525 NH2 ARG A 109 5.801 -8.732 -5.947 1.00 4.70 N ATOM 0 H ARG A 109 1.760 -9.499 -5.284 1.00 1.33 H new ATOM 0 HA ARG A 109 1.486 -11.789 -3.378 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.484 -8.976 -3.217 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.685 -9.625 -1.799 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.113 -10.123 -1.707 1.00 1.97 H new ATOM 0 HG3 ARG A 109 3.200 -11.613 -1.834 1.00 1.97 H new ATOM 0 HD2 ARG A 109 5.119 -11.625 -3.418 1.00 2.63 H new ATOM 0 HD3 ARG A 109 3.600 -11.682 -4.291 1.00 2.63 H new ATOM 0 HE ARG A 109 4.136 -8.918 -4.120 1.00 3.48 H new ATOM 0 HH11 ARG A 109 5.806 -11.813 -5.146 1.00 3.39 H new ATOM 0 HH12 ARG A 109 6.757 -10.978 -6.379 1.00 3.39 H new ATOM 0 HH21 ARG A 109 5.351 -7.852 -5.697 1.00 4.70 H new ATOM 0 HH22 ARG A 109 6.501 -8.754 -6.688 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.848 -11.113 -2.560 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.282 -10.796 -2.319 1.00 1.51 C ATOM 1541 C GLU A 110 -2.493 -10.263 -0.902 1.00 1.50 C ATOM 1542 O GLU A 110 -2.175 -10.911 0.075 1.00 1.45 O ATOM 1543 CB GLU A 110 -3.114 -12.067 -2.505 1.00 1.79 C ATOM 1544 CG GLU A 110 -3.486 -12.222 -3.980 1.00 2.12 C ATOM 1545 CD GLU A 110 -3.749 -13.697 -4.288 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -2.788 -14.415 -4.513 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -4.906 -14.083 -4.295 1.00 2.69 O ATOM 0 H GLU A 110 -0.492 -11.933 -2.069 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.593 -10.030 -3.029 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -2.549 -12.936 -2.168 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -4.016 -12.017 -1.895 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -4.372 -11.629 -4.207 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -2.680 -11.846 -4.611 1.00 2.12 H new ATOM 1554 N TYR A 111 -3.055 -9.090 -0.790 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.324 -8.509 0.552 1.00 1.81 C ATOM 1556 C TYR A 111 -4.836 -8.509 0.781 1.00 2.14 C ATOM 1557 O TYR A 111 -5.583 -7.907 0.035 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.803 -7.071 0.611 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.335 -7.070 0.966 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.419 -7.754 0.159 1.00 1.82 C ATOM 1561 CD2 TYR A 111 -0.889 -6.380 2.100 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.942 -7.749 0.488 1.00 2.00 C ATOM 1563 CE2 TYR A 111 0.471 -6.376 2.428 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.387 -7.061 1.621 1.00 2.36 C ATOM 1565 OH TYR A 111 2.729 -7.058 1.942 1.00 2.67 O ATOM 0 H TYR A 111 -3.340 -8.507 -1.577 1.00 1.66 H new ATOM 0 HA TYR A 111 -2.822 -9.098 1.319 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.954 -6.581 -0.351 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.365 -6.501 1.351 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -0.761 -8.285 -0.717 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -1.596 -5.850 2.722 1.00 2.76 H new ATOM 0 HE1 TYR A 111 1.649 -8.277 -0.134 1.00 2.00 H new ATOM 0 HE2 TYR A 111 0.814 -5.845 3.303 1.00 2.96 H new ATOM 0 HH TYR A 111 2.995 -7.951 2.245 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.297 -9.190 1.794 1.00 2.33 N ATOM 1576 CA ALA A 112 -6.762 -9.234 2.052 1.00 2.71 C ATOM 1577 C ALA A 112 -7.126 -8.247 3.162 1.00 2.50 C ATOM 1578 O ALA A 112 -6.591 -8.298 4.252 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.162 -10.648 2.479 1.00 3.41 C ATOM 0 H ALA A 112 -4.723 -9.717 2.452 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.294 -8.961 1.140 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.235 -10.681 2.668 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -6.912 -11.352 1.686 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -6.625 -10.919 3.388 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.038 -7.351 2.896 1.00 2.28 N ATOM 1586 CA PHE A 113 -8.441 -6.367 3.939 1.00 2.20 C ATOM 1587 C PHE A 113 -9.966 -6.280 3.994 1.00 1.67 C ATOM 1588 O PHE A 113 -10.657 -6.740 3.106 1.00 1.59 O ATOM 1589 CB PHE A 113 -7.863 -4.989 3.611 1.00 2.57 C ATOM 1590 CG PHE A 113 -7.846 -4.784 2.114 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -7.020 -5.574 1.304 1.00 2.65 C ATOM 1592 CD2 PHE A 113 -8.659 -3.802 1.537 1.00 2.38 C ATOM 1593 CE1 PHE A 113 -7.009 -5.380 -0.082 1.00 2.77 C ATOM 1594 CE2 PHE A 113 -8.646 -3.608 0.150 1.00 2.44 C ATOM 1595 CZ PHE A 113 -7.821 -4.397 -0.659 1.00 2.64 C ATOM 0 H PHE A 113 -8.520 -7.259 2.002 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.057 -6.694 4.905 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -8.460 -4.211 4.087 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -6.852 -4.904 4.010 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -6.392 -6.332 1.749 1.00 2.65 H new ATOM 0 HD2 PHE A 113 -9.297 -3.194 2.161 1.00 2.38 H new ATOM 0 HE1 PHE A 113 -6.373 -5.990 -0.707 1.00 2.77 H new ATOM 0 HE2 PHE A 113 -9.273 -2.849 -0.295 1.00 2.44 H new ATOM 0 HZ PHE A 113 -7.811 -4.247 -1.729 1.00 2.64 H new ATOM 1605 N THR A 114 -10.495 -5.696 5.033 1.00 1.53 N ATOM 1606 CA THR A 114 -11.974 -5.583 5.153 1.00 1.47 C ATOM 1607 C THR A 114 -12.401 -4.131 4.932 1.00 1.85 C ATOM 1608 O THR A 114 -11.925 -3.227 5.588 1.00 2.23 O ATOM 1609 CB THR A 114 -12.400 -6.032 6.552 1.00 1.92 C ATOM 1610 OG1 THR A 114 -11.353 -5.757 7.473 1.00 2.12 O ATOM 1611 CG2 THR A 114 -12.693 -7.533 6.543 1.00 2.22 C ATOM 0 H THR A 114 -9.965 -5.292 5.805 1.00 1.53 H new ATOM 0 HA THR A 114 -12.449 -6.215 4.402 1.00 1.47 H new ATOM 0 HB THR A 114 -13.299 -5.492 6.849 1.00 1.92 H new ATOM 0 HG1 THR A 114 -11.624 -6.042 8.371 1.00 2.12 H new ATOM 0 HG21 THR A 114 -12.996 -7.851 7.541 1.00 2.22 H new ATOM 0 HG22 THR A 114 -13.495 -7.743 5.836 1.00 2.22 H new ATOM 0 HG23 THR A 114 -11.796 -8.077 6.246 1.00 2.22 H new ATOM 1619 N SER A 115 -13.302 -3.902 4.016 1.00 2.24 N ATOM 1620 CA SER A 115 -13.765 -2.510 3.758 1.00 2.93 C ATOM 1621 C SER A 115 -14.211 -1.875 5.077 1.00 3.67 C ATOM 1622 O SER A 115 -15.055 -2.402 5.776 1.00 4.11 O ATOM 1623 CB SER A 115 -14.939 -2.536 2.778 1.00 3.21 C ATOM 1624 OG SER A 115 -14.646 -3.441 1.722 1.00 4.06 O ATOM 0 H SER A 115 -13.737 -4.619 3.435 1.00 2.24 H new ATOM 0 HA SER A 115 -12.951 -1.926 3.329 1.00 2.93 H new ATOM 0 HB2 SER A 115 -15.851 -2.841 3.292 1.00 3.21 H new ATOM 0 HB3 SER A 115 -15.117 -1.538 2.379 1.00 3.21 H new ATOM 0 HG SER A 115 -14.492 -4.336 2.091 1.00 4.06 H new ATOM 1630 N ASN A 116 -13.650 -0.751 5.428 1.00 3.92 N ATOM 1631 CA ASN A 116 -14.041 -0.090 6.704 1.00 4.70 C ATOM 1632 C ASN A 116 -14.802 1.203 6.403 1.00 4.40 C ATOM 1633 O ASN A 116 -15.838 1.473 6.978 1.00 4.82 O ATOM 1634 CB ASN A 116 -12.786 0.236 7.515 1.00 5.27 C ATOM 1635 CG ASN A 116 -12.435 -0.951 8.414 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -11.305 -1.395 8.440 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -13.364 -1.487 9.158 1.00 6.86 N ATOM 0 H ASN A 116 -12.938 -0.262 4.886 1.00 3.92 H new ATOM 0 HA ASN A 116 -14.681 -0.762 7.276 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -11.955 0.457 6.845 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -12.953 1.127 8.120 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -13.141 -2.279 9.761 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -14.313 -1.114 9.136 1.00 6.86 H new ATOM 1644 N LEU A 117 -14.298 2.007 5.507 1.00 3.81 N ATOM 1645 CA LEU A 117 -14.996 3.281 5.174 1.00 3.59 C ATOM 1646 C LEU A 117 -15.347 3.301 3.685 1.00 3.13 C ATOM 1647 O LEU A 117 -14.570 2.886 2.849 1.00 3.28 O ATOM 1648 CB LEU A 117 -14.078 4.463 5.496 1.00 3.83 C ATOM 1649 CG LEU A 117 -14.415 5.009 6.885 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -15.775 5.708 6.846 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -14.463 3.853 7.886 1.00 4.76 C ATOM 0 H LEU A 117 -13.434 1.837 4.992 1.00 3.81 H new ATOM 0 HA LEU A 117 -15.910 3.357 5.762 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -13.035 4.147 5.461 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -14.199 5.246 4.747 1.00 3.83 H new ATOM 0 HG LEU A 117 -13.651 5.724 7.189 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -16.013 6.096 7.836 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -15.741 6.531 6.132 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -16.542 4.996 6.542 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -14.703 4.239 8.877 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -15.227 3.138 7.580 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -13.493 3.357 7.915 1.00 4.76 H new ATOM 1663 N THR A 118 -16.511 3.785 3.348 1.00 3.12 N ATOM 1664 CA THR A 118 -16.910 3.835 1.913 1.00 3.08 C ATOM 1665 C THR A 118 -16.071 4.890 1.192 1.00 3.13 C ATOM 1666 O THR A 118 -15.512 5.778 1.805 1.00 3.70 O ATOM 1667 CB THR A 118 -18.392 4.203 1.811 1.00 3.62 C ATOM 1668 OG1 THR A 118 -18.751 5.024 2.914 1.00 4.06 O ATOM 1669 CG2 THR A 118 -19.239 2.930 1.822 1.00 4.04 C ATOM 0 H THR A 118 -17.203 4.148 4.004 1.00 3.12 H new ATOM 0 HA THR A 118 -16.745 2.861 1.452 1.00 3.08 H new ATOM 0 HB THR A 118 -18.569 4.744 0.882 1.00 3.62 H new ATOM 0 HG1 THR A 118 -19.699 5.262 2.850 1.00 4.06 H new ATOM 0 HG21 THR A 118 -20.294 3.194 1.749 1.00 4.04 H new ATOM 0 HG22 THR A 118 -18.963 2.302 0.975 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.065 2.385 2.750 1.00 4.04 H new ATOM 1677 N PHE A 119 -15.977 4.804 -0.107 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.171 5.805 -0.862 1.00 3.07 C ATOM 1679 C PHE A 119 -15.459 5.668 -2.360 1.00 2.72 C ATOM 1680 O PHE A 119 -14.843 4.877 -3.046 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.683 5.556 -0.605 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.311 6.099 0.754 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.477 7.461 1.033 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -12.800 5.241 1.736 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -13.131 7.965 2.293 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -12.456 5.744 2.996 1.00 5.33 C ATOM 1687 CZ PHE A 119 -12.621 7.107 3.274 1.00 5.44 C ATOM 0 H PHE A 119 -16.423 4.085 -0.677 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.436 6.809 -0.532 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.468 4.489 -0.654 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.084 6.037 -1.378 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -13.872 8.123 0.276 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -12.671 4.191 1.521 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -13.258 9.016 2.508 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -12.064 5.082 3.753 1.00 5.33 H new ATOM 0 HZ PHE A 119 -12.355 7.496 4.246 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.391 6.435 -2.861 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.772 6.403 -4.298 1.00 2.86 C ATOM 1699 C PRO A 120 -15.797 7.199 -5.173 1.00 3.02 C ATOM 1700 O PRO A 120 -15.001 7.973 -4.679 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.157 7.049 -4.315 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.192 7.959 -3.130 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.186 7.418 -2.107 1.00 3.80 C ATOM 0 HA PRO A 120 -16.757 5.391 -4.702 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.319 7.603 -5.239 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.942 6.295 -4.253 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -17.934 8.977 -3.420 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.194 7.994 -2.702 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -16.558 8.214 -1.707 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -17.691 6.955 -1.259 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.864 7.009 -6.464 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.978 7.716 -7.428 1.00 3.45 C ATOM 1713 C PRO A 121 -15.460 9.140 -7.713 1.00 3.18 C ATOM 1714 O PRO A 121 -14.739 9.956 -8.252 1.00 3.79 O ATOM 1715 CB PRO A 121 -15.072 6.859 -8.690 1.00 3.90 C ATOM 1716 CG PRO A 121 -16.417 6.212 -8.628 1.00 3.47 C ATOM 1717 CD PRO A 121 -16.793 6.096 -7.149 1.00 2.74 C ATOM 0 HA PRO A 121 -13.962 7.826 -7.048 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.970 7.469 -9.588 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.278 6.113 -8.719 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -17.155 6.805 -9.168 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -16.393 5.229 -9.098 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.831 6.383 -6.979 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -16.682 5.073 -6.790 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.678 9.443 -7.355 1.00 2.63 N ATOM 1726 CA ASP A 122 -17.209 10.812 -7.605 1.00 2.65 C ATOM 1727 C ASP A 122 -17.361 11.550 -6.274 1.00 2.94 C ATOM 1728 O ASP A 122 -17.896 11.023 -5.318 1.00 3.74 O ATOM 1729 CB ASP A 122 -18.572 10.713 -8.293 1.00 2.79 C ATOM 1730 CG ASP A 122 -18.603 11.649 -9.502 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -17.601 11.722 -10.196 1.00 3.56 O ATOM 1732 OD2 ASP A 122 -19.626 12.277 -9.714 1.00 4.14 O ATOM 0 H ASP A 122 -17.328 8.802 -6.900 1.00 2.63 H new ATOM 0 HA ASP A 122 -16.518 11.359 -8.247 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -18.758 9.687 -8.610 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -19.364 10.979 -7.593 1.00 2.79 H new ATOM 1737 N GLY A 123 -16.895 12.766 -6.203 1.00 2.81 N ATOM 1738 CA GLY A 123 -17.014 13.538 -4.933 1.00 3.57 C ATOM 1739 C GLY A 123 -15.681 14.220 -4.622 1.00 3.16 C ATOM 1740 O GLY A 123 -15.035 14.766 -5.494 1.00 3.47 O ATOM 0 H GLY A 123 -16.437 13.259 -6.969 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -17.804 14.284 -5.021 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -17.293 12.873 -4.116 1.00 3.57 H new ATOM 1744 N ASP A 124 -15.263 14.193 -3.386 1.00 2.78 N ATOM 1745 CA ASP A 124 -13.972 14.840 -3.022 1.00 2.58 C ATOM 1746 C ASP A 124 -13.037 13.799 -2.403 1.00 2.15 C ATOM 1747 O ASP A 124 -12.322 14.076 -1.459 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.229 15.960 -2.011 1.00 3.01 C ATOM 1749 CG ASP A 124 -15.630 16.534 -2.231 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -16.565 15.752 -2.301 1.00 3.51 O ATOM 1751 OD2 ASP A 124 -15.744 17.744 -2.325 1.00 3.59 O ATOM 0 H ASP A 124 -15.760 13.751 -2.613 1.00 2.78 H new ATOM 0 HA ASP A 124 -13.510 15.258 -3.917 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -14.137 15.576 -0.995 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -13.481 16.745 -2.124 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.035 12.604 -2.926 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.146 11.546 -2.367 1.00 1.67 C ATOM 1758 C ALA A 125 -12.335 10.251 -3.157 1.00 1.39 C ATOM 1759 O ALA A 125 -12.902 9.293 -2.670 1.00 1.38 O ATOM 1760 CB ALA A 125 -12.503 11.305 -0.899 1.00 2.08 C ATOM 0 H ALA A 125 -13.611 12.314 -3.717 1.00 1.83 H new ATOM 0 HA ALA A 125 -11.107 11.867 -2.441 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -11.854 10.531 -0.489 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -12.368 12.228 -0.335 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -13.542 10.983 -0.825 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.861 10.227 -4.373 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.973 9.033 -5.259 1.00 1.14 C ATOM 1768 C PRO A 126 -11.019 7.910 -4.844 1.00 1.05 C ATOM 1769 O PRO A 126 -10.568 7.850 -3.717 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.599 9.570 -6.642 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.736 10.762 -6.387 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.165 11.340 -5.037 1.00 1.39 C ATOM 0 HA PRO A 126 -12.969 8.591 -5.218 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -11.067 8.818 -7.224 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -12.488 9.843 -7.210 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.683 10.480 -6.369 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.855 11.501 -7.179 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.306 11.676 -4.456 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.821 12.201 -5.163 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.708 7.020 -5.746 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.783 5.902 -5.403 1.00 1.03 C ATOM 1782 C GLY A 127 -8.393 6.461 -5.101 1.00 1.09 C ATOM 1783 O GLY A 127 -8.020 7.517 -5.575 1.00 1.19 O ATOM 0 H GLY A 127 -11.054 7.018 -6.705 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.162 5.355 -4.539 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.730 5.194 -6.230 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.618 5.763 -4.316 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.252 6.256 -3.987 1.00 1.26 C ATOM 1789 C GLN A 128 -5.333 5.067 -3.701 1.00 1.11 C ATOM 1790 O GLN A 128 -5.660 4.187 -2.927 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.317 7.160 -2.756 1.00 1.53 C ATOM 1792 CG GLN A 128 -4.898 7.489 -2.287 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.136 8.188 -3.414 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -3.090 7.732 -3.829 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -4.621 9.285 -3.930 1.00 1.99 N ATOM 0 H GLN A 128 -7.873 4.873 -3.889 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.859 6.822 -4.831 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -6.854 8.078 -2.994 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.870 6.665 -1.957 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.934 8.130 -1.406 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -4.379 6.576 -1.995 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -5.500 9.668 -3.581 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.121 9.759 -4.682 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.183 5.037 -4.316 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.234 3.912 -4.083 1.00 0.91 C ATOM 1806 C VAL A 129 -1.820 4.481 -3.974 1.00 0.88 C ATOM 1807 O VAL A 129 -1.454 5.382 -4.701 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.303 2.936 -5.259 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.493 1.682 -4.929 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.762 2.548 -5.513 1.00 0.89 C ATOM 0 H VAL A 129 -3.858 5.747 -4.973 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.496 3.386 -3.165 1.00 0.91 H new ATOM 0 HB VAL A 129 -2.891 3.410 -6.150 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.542 0.986 -5.767 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.454 1.957 -4.746 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -2.904 1.207 -4.038 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -4.813 1.853 -6.351 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.173 2.073 -4.622 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.341 3.442 -5.748 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.021 3.984 -3.070 1.00 0.78 N ATOM 1821 CA ALA A 130 0.356 4.536 -2.939 1.00 0.85 C ATOM 1822 C ALA A 130 1.269 3.557 -2.199 1.00 0.75 C ATOM 1823 O ALA A 130 1.114 3.315 -1.019 1.00 0.73 O ATOM 1824 CB ALA A 130 0.292 5.850 -2.158 1.00 0.98 C ATOM 0 H ALA A 130 -1.258 3.230 -2.425 1.00 0.78 H new ATOM 0 HA ALA A 130 0.763 4.703 -3.936 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.296 6.262 -2.057 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.340 6.560 -2.692 1.00 0.98 H new ATOM 0 HB3 ALA A 130 -0.126 5.665 -1.168 1.00 0.98 H new ATOM 1830 N PHE A 131 2.241 3.016 -2.882 1.00 0.75 N ATOM 1831 CA PHE A 131 3.190 2.081 -2.215 1.00 0.70 C ATOM 1832 C PHE A 131 4.365 2.897 -1.676 1.00 0.77 C ATOM 1833 O PHE A 131 5.139 3.449 -2.431 1.00 0.99 O ATOM 1834 CB PHE A 131 3.716 1.055 -3.222 1.00 0.70 C ATOM 1835 CG PHE A 131 2.591 0.527 -4.081 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.264 0.589 -3.636 1.00 1.29 C ATOM 1837 CD2 PHE A 131 2.883 -0.038 -5.330 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.233 0.086 -4.439 1.00 1.54 C ATOM 1839 CE2 PHE A 131 1.852 -0.542 -6.131 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.527 -0.480 -5.685 1.00 1.48 C ATOM 0 H PHE A 131 2.419 3.181 -3.873 1.00 0.75 H new ATOM 0 HA PHE A 131 2.681 1.555 -1.408 1.00 0.70 H new ATOM 0 HB2 PHE A 131 4.478 1.514 -3.853 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.194 0.231 -2.693 1.00 0.70 H new ATOM 0 HD1 PHE A 131 1.036 1.024 -2.674 1.00 1.29 H new ATOM 0 HD2 PHE A 131 3.905 -0.084 -5.675 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.790 0.135 -4.097 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.079 -0.978 -7.093 1.00 1.73 H new ATOM 0 HZ PHE A 131 -0.269 -0.869 -6.302 1.00 1.48 H new ATOM 1850 N HIS A 132 4.498 2.995 -0.381 1.00 0.82 N ATOM 1851 CA HIS A 132 5.618 3.795 0.192 1.00 0.96 C ATOM 1852 C HIS A 132 6.760 2.873 0.626 1.00 1.03 C ATOM 1853 O HIS A 132 6.554 1.889 1.308 1.00 1.41 O ATOM 1854 CB HIS A 132 5.112 4.579 1.404 1.00 1.41 C ATOM 1855 CG HIS A 132 4.327 5.774 0.936 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.798 6.703 1.818 1.00 1.70 N ATOM 1857 CD2 HIS A 132 3.973 6.206 -0.319 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.160 7.637 1.090 1.00 1.96 C ATOM 1859 NE2 HIS A 132 3.236 7.383 -0.219 1.00 2.32 N ATOM 0 H HIS A 132 3.881 2.557 0.303 1.00 0.82 H new ATOM 0 HA HIS A 132 5.987 4.483 -0.568 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.486 3.941 2.028 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.952 4.901 2.019 1.00 1.41 H new ATOM 0 HD2 HIS A 132 4.228 5.708 -1.243 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.648 8.489 1.513 1.00 1.96 H new ATOM 0 HE2 HIS A 132 2.840 7.933 -0.981 1.00 2.32 H new ATOM 1867 N LEU A 133 7.965 3.189 0.237 1.00 1.00 N ATOM 1868 CA LEU A 133 9.127 2.340 0.628 1.00 1.39 C ATOM 1869 C LEU A 133 10.307 3.228 1.039 1.00 1.62 C ATOM 1870 O LEU A 133 11.181 2.808 1.771 1.00 2.04 O ATOM 1871 CB LEU A 133 9.543 1.462 -0.555 1.00 1.58 C ATOM 1872 CG LEU A 133 8.398 1.390 -1.567 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.322 2.706 -2.344 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.650 0.237 -2.541 1.00 2.11 C ATOM 0 H LEU A 133 8.196 4.001 -0.336 1.00 1.00 H new ATOM 0 HA LEU A 133 8.839 1.709 1.469 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.435 1.871 -1.029 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.797 0.461 -0.206 1.00 1.58 H new ATOM 0 HG LEU A 133 7.458 1.223 -1.041 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.506 2.656 -3.065 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.143 3.528 -1.651 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.262 2.873 -2.870 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.834 0.185 -3.262 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.590 0.404 -3.067 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.705 -0.701 -1.988 1.00 2.11 H new ATOM 1886 N GLY A 134 10.342 4.450 0.574 1.00 1.46 N ATOM 1887 CA GLY A 134 11.468 5.358 0.939 1.00 1.77 C ATOM 1888 C GLY A 134 11.929 5.062 2.367 1.00 1.08 C ATOM 1889 O GLY A 134 11.130 4.929 3.272 1.00 0.83 O ATOM 0 H GLY A 134 9.639 4.858 -0.043 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.297 5.223 0.244 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.150 6.397 0.858 1.00 1.77 H new ATOM 1893 N LYS A 135 13.214 4.956 2.576 1.00 1.23 N ATOM 1894 CA LYS A 135 13.729 4.665 3.944 1.00 1.09 C ATOM 1895 C LYS A 135 15.243 4.860 3.978 1.00 1.32 C ATOM 1896 O LYS A 135 15.968 4.293 3.184 1.00 1.76 O ATOM 1897 CB LYS A 135 13.402 3.215 4.321 1.00 1.93 C ATOM 1898 CG LYS A 135 11.953 3.108 4.807 1.00 2.37 C ATOM 1899 CD LYS A 135 11.853 2.014 5.872 1.00 3.36 C ATOM 1900 CE LYS A 135 12.025 0.643 5.213 1.00 4.04 C ATOM 1901 NZ LYS A 135 12.015 -0.416 6.260 1.00 5.06 N ATOM 0 H LYS A 135 13.930 5.059 1.857 1.00 1.23 H new ATOM 0 HA LYS A 135 13.257 5.345 4.653 1.00 1.09 H new ATOM 0 HB2 LYS A 135 13.553 2.565 3.459 1.00 1.93 H new ATOM 0 HB3 LYS A 135 14.081 2.873 5.102 1.00 1.93 H new ATOM 0 HG2 LYS A 135 11.625 4.062 5.218 1.00 2.37 H new ATOM 0 HG3 LYS A 135 11.293 2.878 3.970 1.00 2.37 H new ATOM 0 HD2 LYS A 135 12.619 2.162 6.634 1.00 3.36 H new ATOM 0 HD3 LYS A 135 10.888 2.069 6.375 1.00 3.36 H new ATOM 0 HE2 LYS A 135 11.222 0.469 4.497 1.00 4.04 H new ATOM 0 HE3 LYS A 135 12.962 0.610 4.656 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 12.132 -1.348 5.813 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 12.796 -0.252 6.927 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 11.110 -0.389 6.772 1.00 5.06 H new ATOM 1915 N ALA A 136 15.733 5.646 4.898 1.00 1.56 N ATOM 1916 CA ALA A 136 17.205 5.850 4.979 1.00 1.90 C ATOM 1917 C ALA A 136 17.879 4.496 4.769 1.00 2.22 C ATOM 1918 O ALA A 136 19.050 4.407 4.454 1.00 2.64 O ATOM 1919 CB ALA A 136 17.574 6.403 6.358 1.00 2.27 C ATOM 0 H ALA A 136 15.182 6.152 5.591 1.00 1.56 H new ATOM 0 HA ALA A 136 17.533 6.560 4.220 1.00 1.90 H new ATOM 0 HB1 ALA A 136 18.652 6.551 6.414 1.00 2.27 H new ATOM 0 HB2 ALA A 136 17.068 7.356 6.515 1.00 2.27 H new ATOM 0 HB3 ALA A 136 17.264 5.696 7.128 1.00 2.27 H new ATOM 1925 N GLY A 137 17.131 3.440 4.933 1.00 2.17 N ATOM 1926 CA GLY A 137 17.692 2.077 4.739 1.00 2.51 C ATOM 1927 C GLY A 137 16.853 1.336 3.698 1.00 1.81 C ATOM 1928 O GLY A 137 16.880 0.125 3.617 1.00 2.11 O ATOM 0 H GLY A 137 16.146 3.465 5.196 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.729 2.140 4.410 1.00 2.51 H new ATOM 0 HA3 GLY A 137 17.689 1.531 5.682 1.00 2.51 H new ATOM 1932 N ALA A 138 16.095 2.060 2.913 1.00 1.23 N ATOM 1933 CA ALA A 138 15.238 1.414 1.876 1.00 1.37 C ATOM 1934 C ALA A 138 16.051 0.414 1.045 1.00 1.13 C ATOM 1935 O ALA A 138 17.038 -0.135 1.492 1.00 1.41 O ATOM 1936 CB ALA A 138 14.670 2.488 0.947 1.00 2.32 C ATOM 0 H ALA A 138 16.034 3.078 2.948 1.00 1.23 H new ATOM 0 HA ALA A 138 14.430 0.881 2.377 1.00 1.37 H new ATOM 0 HB1 ALA A 138 14.044 2.019 0.188 1.00 2.32 H new ATOM 0 HB2 ALA A 138 14.072 3.192 1.527 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.489 3.020 0.463 1.00 2.32 H new ATOM 1942 N TYR A 139 15.630 0.160 -0.165 1.00 0.82 N ATOM 1943 CA TYR A 139 16.361 -0.820 -1.019 1.00 0.75 C ATOM 1944 C TYR A 139 16.023 -0.559 -2.492 1.00 0.76 C ATOM 1945 O TYR A 139 16.102 0.556 -2.966 1.00 0.83 O ATOM 1946 CB TYR A 139 15.919 -2.232 -0.625 1.00 0.74 C ATOM 1947 CG TYR A 139 14.408 -2.291 -0.610 1.00 0.79 C ATOM 1948 CD1 TYR A 139 13.697 -1.685 0.433 1.00 1.42 C ATOM 1949 CD2 TYR A 139 13.717 -2.937 -1.642 1.00 1.41 C ATOM 1950 CE1 TYR A 139 12.298 -1.727 0.447 1.00 1.61 C ATOM 1951 CE2 TYR A 139 12.318 -2.977 -1.629 1.00 1.42 C ATOM 1952 CZ TYR A 139 11.608 -2.373 -0.585 1.00 1.11 C ATOM 1953 OH TYR A 139 10.230 -2.411 -0.575 1.00 1.32 O ATOM 0 H TYR A 139 14.812 0.588 -0.599 1.00 0.82 H new ATOM 0 HA TYR A 139 17.437 -0.718 -0.878 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.317 -2.961 -1.331 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.315 -2.490 0.357 1.00 0.74 H new ATOM 0 HD1 TYR A 139 14.229 -1.184 1.228 1.00 1.42 H new ATOM 0 HD2 TYR A 139 14.263 -3.404 -2.448 1.00 1.41 H new ATOM 0 HE1 TYR A 139 11.751 -1.261 1.254 1.00 1.61 H new ATOM 0 HE2 TYR A 139 11.785 -3.475 -2.426 1.00 1.42 H new ATOM 0 HH TYR A 139 9.904 -2.676 -1.460 1.00 1.32 H new ATOM 1963 N GLU A 140 15.644 -1.577 -3.218 1.00 0.80 N ATOM 1964 CA GLU A 140 15.295 -1.386 -4.654 1.00 0.87 C ATOM 1965 C GLU A 140 13.901 -1.966 -4.906 1.00 0.77 C ATOM 1966 O GLU A 140 13.607 -3.081 -4.524 1.00 0.73 O ATOM 1967 CB GLU A 140 16.318 -2.111 -5.531 1.00 1.13 C ATOM 1968 CG GLU A 140 17.654 -1.366 -5.479 1.00 0.93 C ATOM 1969 CD GLU A 140 17.506 -0.004 -6.160 1.00 0.94 C ATOM 1970 OE1 GLU A 140 16.807 0.066 -7.157 1.00 1.25 O ATOM 1971 OE2 GLU A 140 18.096 0.946 -5.673 1.00 1.65 O ATOM 0 H GLU A 140 15.561 -2.535 -2.877 1.00 0.80 H new ATOM 0 HA GLU A 140 15.304 -0.324 -4.899 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.448 -3.136 -5.185 1.00 1.13 H new ATOM 0 HB3 GLU A 140 15.959 -2.164 -6.559 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.969 -1.235 -4.444 1.00 0.93 H new ATOM 0 HG3 GLU A 140 18.428 -1.951 -5.976 1.00 0.93 H new ATOM 1978 N PHE A 141 13.036 -1.220 -5.538 1.00 0.77 N ATOM 1979 CA PHE A 141 11.661 -1.739 -5.796 1.00 0.75 C ATOM 1980 C PHE A 141 11.497 -2.069 -7.281 1.00 0.72 C ATOM 1981 O PHE A 141 11.534 -1.197 -8.126 1.00 0.73 O ATOM 1982 CB PHE A 141 10.635 -0.679 -5.394 1.00 0.79 C ATOM 1983 CG PHE A 141 9.269 -1.315 -5.284 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.013 -2.253 -4.277 1.00 1.64 C ATOM 1985 CD2 PHE A 141 8.261 -0.968 -6.190 1.00 1.17 C ATOM 1986 CE1 PHE A 141 7.747 -2.843 -4.175 1.00 1.68 C ATOM 1987 CE2 PHE A 141 6.996 -1.558 -6.088 1.00 1.26 C ATOM 1988 CZ PHE A 141 6.739 -2.495 -5.081 1.00 1.00 C ATOM 0 H PHE A 141 13.220 -0.279 -5.885 1.00 0.77 H new ATOM 0 HA PHE A 141 11.504 -2.644 -5.210 1.00 0.75 H new ATOM 0 HB2 PHE A 141 10.916 -0.229 -4.442 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.616 0.122 -6.132 1.00 0.79 H new ATOM 0 HD1 PHE A 141 9.792 -2.522 -3.579 1.00 1.64 H new ATOM 0 HD2 PHE A 141 8.459 -0.245 -6.968 1.00 1.17 H new ATOM 0 HE1 PHE A 141 7.549 -3.566 -3.398 1.00 1.68 H new ATOM 0 HE2 PHE A 141 6.218 -1.290 -6.787 1.00 1.26 H new ATOM 0 HZ PHE A 141 5.762 -2.950 -5.003 1.00 1.00 H new ATOM 1998 N CYS A 142 11.314 -3.321 -7.606 1.00 0.70 N ATOM 1999 CA CYS A 142 11.147 -3.705 -9.032 1.00 0.68 C ATOM 2000 C CYS A 142 9.707 -4.166 -9.276 1.00 0.68 C ATOM 2001 O CYS A 142 9.273 -5.172 -8.754 1.00 0.74 O ATOM 2002 CB CYS A 142 12.109 -4.847 -9.353 1.00 0.68 C ATOM 2003 SG CYS A 142 13.782 -4.189 -9.567 1.00 0.72 S ATOM 0 H CYS A 142 11.273 -4.094 -6.942 1.00 0.70 H new ATOM 0 HA CYS A 142 11.362 -2.849 -9.671 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.097 -5.583 -8.549 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.790 -5.360 -10.260 1.00 0.68 H new ATOM 2008 N ILE A 143 8.966 -3.436 -10.066 1.00 0.83 N ATOM 2009 CA ILE A 143 7.556 -3.829 -10.348 1.00 0.89 C ATOM 2010 C ILE A 143 7.360 -3.979 -11.854 1.00 0.92 C ATOM 2011 O ILE A 143 7.938 -3.264 -12.649 1.00 0.91 O ATOM 2012 CB ILE A 143 6.610 -2.760 -9.793 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.443 -2.521 -10.757 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.377 -1.453 -9.591 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.442 -1.558 -10.117 1.00 1.22 C ATOM 0 H ILE A 143 9.278 -2.582 -10.529 1.00 0.83 H new ATOM 0 HA ILE A 143 7.335 -4.782 -9.867 1.00 0.89 H new ATOM 0 HB ILE A 143 6.213 -3.107 -8.839 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.812 -2.108 -11.696 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.954 -3.466 -10.994 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.703 -0.693 -9.196 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.193 -1.615 -8.887 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.782 -1.118 -10.546 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.612 -1.388 -10.802 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.065 -1.989 -9.190 1.00 1.22 H new ATOM 0 HD13 ILE A 143 4.935 -0.610 -9.902 1.00 1.22 H new ATOM 2027 N SER A 144 6.543 -4.913 -12.239 1.00 1.00 N ATOM 2028 CA SER A 144 6.287 -5.137 -13.687 1.00 1.07 C ATOM 2029 C SER A 144 4.780 -5.210 -13.928 1.00 1.14 C ATOM 2030 O SER A 144 4.320 -5.158 -15.051 1.00 1.33 O ATOM 2031 CB SER A 144 6.934 -6.453 -14.121 1.00 1.17 C ATOM 2032 OG SER A 144 6.953 -7.352 -13.021 1.00 1.28 O ATOM 0 H SER A 144 6.037 -5.536 -11.610 1.00 1.00 H new ATOM 0 HA SER A 144 6.711 -4.315 -14.264 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.378 -6.888 -14.952 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.949 -6.273 -14.476 1.00 1.17 H new ATOM 0 HG SER A 144 7.366 -8.197 -13.296 1.00 1.28 H new ATOM 2038 N GLN A 145 4.005 -5.330 -12.883 1.00 1.08 N ATOM 2039 CA GLN A 145 2.527 -5.408 -13.073 1.00 1.29 C ATOM 2040 C GLN A 145 1.807 -5.023 -11.778 1.00 1.38 C ATOM 2041 O GLN A 145 2.366 -5.077 -10.700 1.00 1.99 O ATOM 2042 CB GLN A 145 2.127 -6.835 -13.466 1.00 1.40 C ATOM 2043 CG GLN A 145 3.368 -7.644 -13.851 1.00 1.94 C ATOM 2044 CD GLN A 145 2.983 -9.116 -14.021 1.00 2.35 C ATOM 2045 OE1 GLN A 145 1.878 -9.507 -13.702 1.00 2.30 O ATOM 2046 NE2 GLN A 145 3.855 -9.952 -14.514 1.00 3.30 N ATOM 0 H GLN A 145 4.327 -5.377 -11.916 1.00 1.08 H new ATOM 0 HA GLN A 145 2.241 -4.716 -13.865 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.612 -7.318 -12.636 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.428 -6.808 -14.302 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.794 -7.259 -14.778 1.00 1.94 H new ATOM 0 HG3 GLN A 145 4.134 -7.544 -13.082 1.00 1.94 H new ATOM 0 HE21 GLN A 145 4.783 -9.623 -14.782 1.00 3.30 H new ATOM 0 HE22 GLN A 145 3.609 -10.935 -14.632 1.00 3.30 H new ATOM 2055 N VAL A 146 0.565 -4.635 -11.881 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.210 -4.247 -10.669 1.00 1.53 C ATOM 2057 C VAL A 146 -1.703 -4.268 -11.007 1.00 1.48 C ATOM 2058 O VAL A 146 -2.131 -3.694 -11.988 1.00 1.44 O ATOM 2059 CB VAL A 146 0.188 -2.836 -10.219 1.00 1.59 C ATOM 2060 CG1 VAL A 146 0.570 -2.862 -8.738 1.00 2.26 C ATOM 2061 CG2 VAL A 146 1.382 -2.340 -11.040 1.00 2.16 C ATOM 0 H VAL A 146 0.051 -4.570 -12.759 1.00 1.54 H new ATOM 0 HA VAL A 146 0.003 -4.950 -9.863 1.00 1.53 H new ATOM 0 HB VAL A 146 -0.656 -2.163 -10.371 1.00 1.59 H new ATOM 0 HG11 VAL A 146 0.853 -1.859 -8.418 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -0.281 -3.205 -8.149 1.00 2.26 H new ATOM 0 HG13 VAL A 146 1.410 -3.541 -8.591 1.00 2.26 H new ATOM 0 HG21 VAL A 146 1.657 -1.337 -10.713 1.00 2.16 H new ATOM 0 HG22 VAL A 146 2.227 -3.013 -10.896 1.00 2.16 H new ATOM 0 HG23 VAL A 146 1.113 -2.316 -12.096 1.00 2.16 H new ATOM 2071 N SER A 147 -2.503 -4.923 -10.208 1.00 1.63 N ATOM 2072 CA SER A 147 -3.963 -4.967 -10.505 1.00 1.76 C ATOM 2073 C SER A 147 -4.728 -5.427 -9.262 1.00 2.04 C ATOM 2074 O SER A 147 -4.268 -6.262 -8.510 1.00 2.17 O ATOM 2075 CB SER A 147 -4.221 -5.944 -11.652 1.00 2.02 C ATOM 2076 OG SER A 147 -3.216 -6.950 -11.646 1.00 2.76 O ATOM 0 H SER A 147 -2.211 -5.425 -9.370 1.00 1.63 H new ATOM 0 HA SER A 147 -4.303 -3.972 -10.791 1.00 1.76 H new ATOM 0 HB2 SER A 147 -5.206 -6.397 -11.544 1.00 2.02 H new ATOM 0 HB3 SER A 147 -4.216 -5.414 -12.605 1.00 2.02 H new ATOM 0 HG SER A 147 -3.379 -7.580 -12.379 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.898 -4.889 -9.043 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.692 -5.298 -7.851 1.00 2.65 C ATOM 2084 C LEU A 148 -8.050 -5.837 -8.302 1.00 2.54 C ATOM 2085 O LEU A 148 -8.461 -5.646 -9.429 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.900 -4.088 -6.937 1.00 3.24 C ATOM 2087 CG LEU A 148 -8.024 -3.214 -7.495 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -9.334 -3.542 -6.775 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.679 -1.739 -7.274 1.00 3.26 C ATOM 0 H LEU A 148 -6.337 -4.186 -9.637 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.156 -6.076 -7.307 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -7.149 -4.419 -5.929 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -5.978 -3.511 -6.865 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.138 -3.407 -8.562 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -10.134 -2.918 -7.174 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -9.581 -4.592 -6.930 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -9.221 -3.349 -5.708 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -8.479 -1.115 -7.671 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -7.565 -1.548 -6.207 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -6.746 -1.503 -7.786 1.00 3.26 H new ATOM 2101 N THR A 149 -8.752 -6.512 -7.433 1.00 2.09 N ATOM 2102 CA THR A 149 -10.082 -7.062 -7.820 1.00 2.24 C ATOM 2103 C THR A 149 -10.722 -7.756 -6.616 1.00 1.93 C ATOM 2104 O THR A 149 -10.203 -7.725 -5.518 1.00 1.84 O ATOM 2105 CB THR A 149 -9.902 -8.075 -8.952 1.00 2.53 C ATOM 2106 OG1 THR A 149 -10.941 -9.042 -8.886 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.547 -8.769 -8.810 1.00 2.42 C ATOM 0 H THR A 149 -8.463 -6.706 -6.474 1.00 2.09 H new ATOM 0 HA THR A 149 -10.726 -6.249 -8.154 1.00 2.24 H new ATOM 0 HB THR A 149 -9.943 -7.560 -9.912 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.495 -8.983 -9.692 1.00 3.07 H new ATOM 0 HG21 THR A 149 -8.421 -9.490 -9.618 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.751 -8.026 -8.859 1.00 2.42 H new ATOM 0 HG23 THR A 149 -8.502 -9.286 -7.852 1.00 2.42 H new ATOM 2115 N THR A 150 -11.849 -8.385 -6.819 1.00 1.92 N ATOM 2116 CA THR A 150 -12.528 -9.086 -5.693 1.00 1.72 C ATOM 2117 C THR A 150 -13.798 -9.765 -6.208 1.00 1.75 C ATOM 2118 O THR A 150 -13.949 -10.008 -7.389 1.00 2.00 O ATOM 2119 CB THR A 150 -12.903 -8.073 -4.609 1.00 1.59 C ATOM 2120 OG1 THR A 150 -13.017 -8.740 -3.360 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.238 -7.415 -4.962 1.00 1.66 C ATOM 0 H THR A 150 -12.328 -8.443 -7.717 1.00 1.92 H new ATOM 0 HA THR A 150 -11.854 -9.834 -5.276 1.00 1.72 H new ATOM 0 HB THR A 150 -12.130 -7.307 -4.544 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.687 -8.286 -2.807 1.00 1.52 H new ATOM 0 HG21 THR A 150 -14.504 -6.694 -4.189 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.149 -6.904 -5.920 1.00 1.66 H new ATOM 0 HG23 THR A 150 -15.013 -8.178 -5.028 1.00 1.66 H new