USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 166 HIS : no HD1:sc= -0.0587 X(o=-1.6,f=-1.8) USER MOD Set 1.2: A 217 GLN : amide:sc= -1.55! C(o=-1.6!,f=-4.8!) USER MOD Set 2.1: A 149 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 202 HIS : no HD1:sc= -0.8 K(o=-0.8,f=-0.22) USER MOD Single : A 147 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.12) USER MOD Single : A 150 GLN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : A 155 CYS SG : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot -80:sc= 0.0163 USER MOD Single : A 169 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 171 THR OG1 : rot -90:sc= 0.356 USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -0.355 K(o=-0.35,f=-4.5!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 183 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 190 ASN : amide:sc= -1.86 K(o=-1.9,f=-11!) USER MOD Single : A 192 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 194 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.2) USER MOD Single : A 199 MET CE :methyl -126:sc= -0.941 (180deg=-1.77) USER MOD Single : A 203 THR OG1 : rot 180:sc= 0 USER MOD Single : A 206 LYS NZ :NH3+ -161:sc= 0.478 (180deg=0.249) USER MOD Single : A 215 SER OG : rot -98:sc= 1.32 USER MOD Single : A 221 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 226 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 146 4.395 15.025 -1.438 1.00 44.42 N ATOM 66 CA LEU A 146 3.282 14.154 -1.534 1.00 32.43 C ATOM 67 C LEU A 146 2.988 13.689 -0.139 1.00 73.32 C ATOM 68 O LEU A 146 3.862 13.737 0.719 1.00 41.31 O ATOM 69 CB LEU A 146 3.618 12.945 -2.439 1.00 44.31 C ATOM 70 CG LEU A 146 3.693 13.179 -3.974 1.00 12.24 C ATOM 71 CD1 LEU A 146 4.778 14.163 -4.372 1.00 34.35 C ATOM 72 CD2 LEU A 146 3.903 11.863 -4.700 1.00 51.42 C ATOM 0 HA LEU A 146 2.423 14.661 -1.974 1.00 32.43 H new ATOM 0 HB2 LEU A 146 4.578 12.543 -2.116 1.00 44.31 H new ATOM 0 HB3 LEU A 146 2.871 12.173 -2.255 1.00 44.31 H new ATOM 0 HG LEU A 146 2.739 13.617 -4.267 1.00 12.24 H new ATOM 0 HD11 LEU A 146 4.780 14.284 -5.455 1.00 34.35 H new ATOM 0 HD12 LEU A 146 4.586 15.126 -3.900 1.00 34.35 H new ATOM 0 HD13 LEU A 146 5.748 13.786 -4.047 1.00 34.35 H new ATOM 0 HD21 LEU A 146 3.953 12.044 -5.774 1.00 51.42 H new ATOM 0 HD22 LEU A 146 4.835 11.407 -4.365 1.00 51.42 H new ATOM 0 HD23 LEU A 146 3.072 11.192 -4.484 1.00 51.42 H new ATOM 84 N GLN A 147 1.790 13.293 0.105 1.00 3.10 N ATOM 85 CA GLN A 147 1.401 12.827 1.408 1.00 13.32 C ATOM 86 C GLN A 147 1.745 11.359 1.554 1.00 61.43 C ATOM 87 O GLN A 147 1.201 10.521 0.833 1.00 73.22 O ATOM 88 CB GLN A 147 -0.082 13.071 1.614 1.00 42.34 C ATOM 89 CG GLN A 147 -0.466 14.539 1.634 1.00 35.11 C ATOM 90 CD GLN A 147 0.164 15.288 2.793 1.00 74.35 C ATOM 91 OE1 GLN A 147 -0.408 15.351 3.877 1.00 51.05 O ATOM 92 NE2 GLN A 147 1.311 15.871 2.582 1.00 2.22 N ATOM 0 H GLN A 147 1.042 13.279 -0.588 1.00 3.10 H new ATOM 0 HA GLN A 147 1.947 13.377 2.175 1.00 13.32 H new ATOM 0 HB2 GLN A 147 -0.636 12.571 0.820 1.00 42.34 H new ATOM 0 HB3 GLN A 147 -0.389 12.612 2.554 1.00 42.34 H new ATOM 0 HG2 GLN A 147 -0.161 15.004 0.696 1.00 35.11 H new ATOM 0 HG3 GLN A 147 -1.551 14.627 1.695 1.00 35.11 H new ATOM 0 HE21 GLN A 147 1.759 15.799 1.669 1.00 2.22 H new ATOM 0 HE22 GLN A 147 1.760 16.399 3.330 1.00 2.22 H new ATOM 101 N PRO A 148 2.695 11.037 2.433 1.00 31.03 N ATOM 102 CA PRO A 148 3.122 9.678 2.648 1.00 74.01 C ATOM 103 C PRO A 148 2.137 8.899 3.496 1.00 63.30 C ATOM 104 O PRO A 148 1.747 9.323 4.587 1.00 34.01 O ATOM 105 CB PRO A 148 4.465 9.825 3.368 1.00 60.04 C ATOM 106 CG PRO A 148 4.379 11.132 4.074 1.00 73.11 C ATOM 107 CD PRO A 148 3.441 11.990 3.277 1.00 11.42 C ATOM 0 HA PRO A 148 3.195 9.121 1.714 1.00 74.01 H new ATOM 0 HB2 PRO A 148 4.629 9.007 4.069 1.00 60.04 H new ATOM 0 HB3 PRO A 148 5.295 9.811 2.662 1.00 60.04 H new ATOM 0 HG2 PRO A 148 4.012 10.999 5.092 1.00 73.11 H new ATOM 0 HG3 PRO A 148 5.362 11.598 4.148 1.00 73.11 H new ATOM 0 HD2 PRO A 148 2.771 12.554 3.926 1.00 11.42 H new ATOM 0 HD3 PRO A 148 3.984 12.715 2.671 1.00 11.42 H new ATOM 115 N TYR A 149 1.715 7.808 2.976 1.00 20.11 N ATOM 116 CA TYR A 149 0.829 6.899 3.670 1.00 20.11 C ATOM 117 C TYR A 149 1.332 5.499 3.490 1.00 33.03 C ATOM 118 O TYR A 149 1.760 5.136 2.412 1.00 35.22 O ATOM 119 CB TYR A 149 -0.606 6.990 3.122 1.00 63.44 C ATOM 120 CG TYR A 149 -1.249 8.321 3.362 1.00 31.12 C ATOM 121 CD1 TYR A 149 -1.732 8.641 4.608 1.00 21.53 C ATOM 122 CD2 TYR A 149 -1.354 9.263 2.358 1.00 23.13 C ATOM 123 CE1 TYR A 149 -2.295 9.861 4.863 1.00 2.54 C ATOM 124 CE2 TYR A 149 -1.926 10.485 2.603 1.00 72.41 C ATOM 125 CZ TYR A 149 -2.390 10.779 3.862 1.00 3.34 C ATOM 126 OH TYR A 149 -2.938 12.013 4.120 1.00 40.21 O ATOM 0 H TYR A 149 1.970 7.499 2.038 1.00 20.11 H new ATOM 0 HA TYR A 149 0.812 7.171 4.725 1.00 20.11 H new ATOM 0 HB2 TYR A 149 -0.592 6.789 2.051 1.00 63.44 H new ATOM 0 HB3 TYR A 149 -1.214 6.212 3.584 1.00 63.44 H new ATOM 0 HD1 TYR A 149 -1.666 7.913 5.403 1.00 21.53 H new ATOM 0 HD2 TYR A 149 -0.982 9.035 1.370 1.00 23.13 H new ATOM 0 HE1 TYR A 149 -2.662 10.095 5.852 1.00 2.54 H new ATOM 0 HE2 TYR A 149 -2.011 11.213 1.810 1.00 72.41 H new ATOM 0 HH TYR A 149 -2.932 12.551 3.301 1.00 40.21 H new ATOM 136 N GLN A 150 1.299 4.727 4.512 1.00 41.54 N ATOM 137 CA GLN A 150 1.702 3.355 4.404 1.00 53.11 C ATOM 138 C GLN A 150 0.482 2.528 4.532 1.00 30.02 C ATOM 139 O GLN A 150 -0.229 2.611 5.524 1.00 31.45 O ATOM 140 CB GLN A 150 2.677 2.963 5.486 1.00 32.20 C ATOM 141 CG GLN A 150 3.942 3.783 5.513 1.00 15.32 C ATOM 142 CD GLN A 150 4.825 3.406 6.665 1.00 61.02 C ATOM 143 OE1 GLN A 150 5.701 2.546 6.567 1.00 4.33 O ATOM 144 NE2 GLN A 150 4.602 4.035 7.766 1.00 60.24 N ATOM 0 H GLN A 150 0.997 5.014 5.443 1.00 41.54 H new ATOM 0 HA GLN A 150 2.202 3.205 3.447 1.00 53.11 H new ATOM 0 HB2 GLN A 150 2.182 3.050 6.453 1.00 32.20 H new ATOM 0 HB3 GLN A 150 2.942 1.914 5.357 1.00 32.20 H new ATOM 0 HG2 GLN A 150 4.485 3.644 4.578 1.00 15.32 H new ATOM 0 HG3 GLN A 150 3.688 4.841 5.580 1.00 15.32 H new ATOM 0 HE21 GLN A 150 3.868 4.741 7.810 1.00 60.24 H new ATOM 0 HE22 GLN A 150 5.160 3.827 8.594 1.00 60.24 H new ATOM 153 N VAL A 151 0.213 1.790 3.536 1.00 51.02 N ATOM 154 CA VAL A 151 -0.949 0.959 3.505 1.00 2.32 C ATOM 155 C VAL A 151 -0.497 -0.482 3.592 1.00 65.54 C ATOM 156 O VAL A 151 0.171 -0.980 2.686 1.00 33.22 O ATOM 157 CB VAL A 151 -1.765 1.177 2.194 1.00 34.32 C ATOM 158 CG1 VAL A 151 -3.020 0.319 2.172 1.00 25.31 C ATOM 159 CG2 VAL A 151 -2.123 2.647 2.007 1.00 23.42 C ATOM 0 H VAL A 151 0.792 1.733 2.698 1.00 51.02 H new ATOM 0 HA VAL A 151 -1.597 1.214 4.343 1.00 2.32 H new ATOM 0 HB VAL A 151 -1.130 0.870 1.363 1.00 34.32 H new ATOM 0 HG11 VAL A 151 -3.565 0.495 1.245 1.00 25.31 H new ATOM 0 HG12 VAL A 151 -2.743 -0.733 2.235 1.00 25.31 H new ATOM 0 HG13 VAL A 151 -3.653 0.579 3.020 1.00 25.31 H new ATOM 0 HG21 VAL A 151 -2.692 2.769 1.085 1.00 23.42 H new ATOM 0 HG22 VAL A 151 -2.724 2.985 2.851 1.00 23.42 H new ATOM 0 HG23 VAL A 151 -1.210 3.240 1.951 1.00 23.42 H new ATOM 169 N ARG A 152 -0.809 -1.133 4.670 1.00 53.21 N ATOM 170 CA ARG A 152 -0.401 -2.493 4.840 1.00 13.01 C ATOM 171 C ARG A 152 -1.587 -3.437 4.732 1.00 64.52 C ATOM 172 O ARG A 152 -2.547 -3.361 5.509 1.00 75.54 O ATOM 173 CB ARG A 152 0.403 -2.700 6.144 1.00 54.12 C ATOM 174 CG ARG A 152 -0.356 -2.472 7.445 1.00 14.21 C ATOM 175 CD ARG A 152 0.542 -2.672 8.659 1.00 22.14 C ATOM 176 NE ARG A 152 1.234 -3.973 8.641 1.00 51.23 N ATOM 177 CZ ARG A 152 1.090 -4.957 9.556 1.00 23.41 C ATOM 178 NH1 ARG A 152 0.202 -4.845 10.549 1.00 1.31 N ATOM 179 NH2 ARG A 152 1.835 -6.055 9.465 1.00 61.01 N ATOM 0 H ARG A 152 -1.345 -0.744 5.446 1.00 53.21 H new ATOM 0 HA ARG A 152 0.280 -2.737 4.025 1.00 13.01 H new ATOM 0 HB2 ARG A 152 0.793 -3.718 6.148 1.00 54.12 H new ATOM 0 HB3 ARG A 152 1.262 -2.030 6.127 1.00 54.12 H new ATOM 0 HG2 ARG A 152 -0.765 -1.462 7.456 1.00 14.21 H new ATOM 0 HG3 ARG A 152 -1.201 -3.158 7.499 1.00 14.21 H new ATOM 0 HD2 ARG A 152 1.281 -1.872 8.696 1.00 22.14 H new ATOM 0 HD3 ARG A 152 -0.057 -2.595 9.566 1.00 22.14 H new ATOM 0 HE ARG A 152 1.879 -4.146 7.870 1.00 51.23 H new ATOM 0 HH11 ARG A 152 -0.378 -4.009 10.623 1.00 1.31 H new ATOM 0 HH12 ARG A 152 0.104 -5.596 11.233 1.00 1.31 H new ATOM 0 HH21 ARG A 152 2.511 -6.151 8.707 1.00 61.01 H new ATOM 0 HH22 ARG A 152 1.730 -6.801 10.153 1.00 61.01 H new ATOM 193 N VAL A 153 -1.540 -4.282 3.748 1.00 62.02 N ATOM 194 CA VAL A 153 -2.571 -5.259 3.533 1.00 1.41 C ATOM 195 C VAL A 153 -2.067 -6.646 3.944 1.00 2.04 C ATOM 196 O VAL A 153 -1.084 -7.170 3.392 1.00 3.22 O ATOM 197 CB VAL A 153 -3.126 -5.238 2.059 1.00 34.45 C ATOM 198 CG1 VAL A 153 -2.017 -5.329 1.033 1.00 3.13 C ATOM 199 CG2 VAL A 153 -4.111 -6.364 1.836 1.00 55.13 C ATOM 0 H VAL A 153 -0.782 -4.316 3.066 1.00 62.02 H new ATOM 0 HA VAL A 153 -3.420 -5.000 4.166 1.00 1.41 H new ATOM 0 HB VAL A 153 -3.633 -4.282 1.930 1.00 34.45 H new ATOM 0 HG11 VAL A 153 -2.446 -5.311 0.031 1.00 3.13 H new ATOM 0 HG12 VAL A 153 -1.340 -4.483 1.153 1.00 3.13 H new ATOM 0 HG13 VAL A 153 -1.465 -6.258 1.175 1.00 3.13 H new ATOM 0 HG21 VAL A 153 -4.479 -6.327 0.811 1.00 55.13 H new ATOM 0 HG22 VAL A 153 -3.617 -7.320 2.010 1.00 55.13 H new ATOM 0 HG23 VAL A 153 -4.948 -6.257 2.526 1.00 55.13 H new ATOM 209 N ILE A 154 -2.702 -7.201 4.938 1.00 11.44 N ATOM 210 CA ILE A 154 -2.340 -8.496 5.459 1.00 20.22 C ATOM 211 C ILE A 154 -3.174 -9.523 4.716 1.00 5.15 C ATOM 212 O ILE A 154 -4.407 -9.480 4.785 1.00 4.13 O ATOM 213 CB ILE A 154 -2.660 -8.596 6.977 1.00 0.41 C ATOM 214 CG1 ILE A 154 -1.992 -7.445 7.757 1.00 41.23 C ATOM 215 CG2 ILE A 154 -2.218 -9.948 7.526 1.00 73.11 C ATOM 216 CD1 ILE A 154 -2.320 -7.416 9.240 1.00 31.45 C ATOM 0 H ILE A 154 -3.492 -6.767 5.415 1.00 11.44 H new ATOM 0 HA ILE A 154 -1.271 -8.663 5.326 1.00 20.22 H new ATOM 0 HB ILE A 154 -3.739 -8.507 7.106 1.00 0.41 H new ATOM 0 HG12 ILE A 154 -0.911 -7.522 7.638 1.00 41.23 H new ATOM 0 HG13 ILE A 154 -2.295 -6.497 7.312 1.00 41.23 H new ATOM 0 HG21 ILE A 154 -2.449 -10.002 8.590 1.00 73.11 H new ATOM 0 HG22 ILE A 154 -2.744 -10.744 7.000 1.00 73.11 H new ATOM 0 HG23 ILE A 154 -1.144 -10.066 7.382 1.00 73.11 H new ATOM 0 HD11 ILE A 154 -1.809 -6.576 9.709 1.00 31.45 H new ATOM 0 HD12 ILE A 154 -3.396 -7.306 9.373 1.00 31.45 H new ATOM 0 HD13 ILE A 154 -1.991 -8.346 9.704 1.00 31.45 H new ATOM 228 N CYS A 155 -2.547 -10.430 4.030 1.00 1.24 N ATOM 229 CA CYS A 155 -3.260 -11.346 3.208 1.00 22.23 C ATOM 230 C CYS A 155 -2.559 -12.676 3.150 1.00 63.43 C ATOM 231 O CYS A 155 -1.450 -12.837 3.672 1.00 42.54 O ATOM 232 CB CYS A 155 -3.383 -10.751 1.801 1.00 74.01 C ATOM 233 SG CYS A 155 -1.801 -10.241 1.076 1.00 12.15 S ATOM 0 H CYS A 155 -1.534 -10.552 4.027 1.00 1.24 H new ATOM 0 HA CYS A 155 -4.251 -11.512 3.631 1.00 22.23 H new ATOM 0 HB2 CYS A 155 -3.851 -11.486 1.146 1.00 74.01 H new ATOM 0 HB3 CYS A 155 -4.049 -9.889 1.839 1.00 74.01 H new ATOM 0 HG CYS A 155 -2.005 -9.754 -0.112 1.00 12.15 H new ATOM 239 N ARG A 156 -3.233 -13.632 2.589 1.00 23.14 N ATOM 240 CA ARG A 156 -2.639 -14.919 2.282 1.00 61.31 C ATOM 241 C ARG A 156 -1.582 -14.719 1.181 1.00 74.42 C ATOM 242 O ARG A 156 -1.799 -13.938 0.255 1.00 1.40 O ATOM 243 CB ARG A 156 -3.705 -15.881 1.771 1.00 21.53 C ATOM 244 CG ARG A 156 -4.702 -16.367 2.801 1.00 2.50 C ATOM 245 CD ARG A 156 -4.000 -17.140 3.887 1.00 13.43 C ATOM 246 NE ARG A 156 -4.921 -17.922 4.707 1.00 42.24 N ATOM 247 CZ ARG A 156 -4.538 -18.975 5.415 1.00 63.15 C ATOM 248 NH1 ARG A 156 -3.249 -19.195 5.592 1.00 24.01 N ATOM 249 NH2 ARG A 156 -5.430 -19.765 6.003 1.00 12.10 N ATOM 0 H ARG A 156 -4.215 -13.552 2.326 1.00 23.14 H new ATOM 0 HA ARG A 156 -2.186 -15.333 3.182 1.00 61.31 H new ATOM 0 HB2 ARG A 156 -4.253 -15.392 0.965 1.00 21.53 H new ATOM 0 HB3 ARG A 156 -3.207 -16.748 1.337 1.00 21.53 H new ATOM 0 HG2 ARG A 156 -5.231 -15.518 3.234 1.00 2.50 H new ATOM 0 HG3 ARG A 156 -5.451 -16.998 2.322 1.00 2.50 H new ATOM 0 HD2 ARG A 156 -3.266 -17.807 3.436 1.00 13.43 H new ATOM 0 HD3 ARG A 156 -3.452 -16.447 4.524 1.00 13.43 H new ATOM 0 HE ARG A 156 -5.902 -17.646 4.736 1.00 42.24 H new ATOM 0 HH11 ARG A 156 -2.563 -18.559 5.186 1.00 24.01 H new ATOM 0 HH12 ARG A 156 -2.939 -20.001 6.135 1.00 24.01 H new ATOM 0 HH21 ARG A 156 -6.426 -19.565 5.913 1.00 12.10 H new ATOM 0 HH22 ARG A 156 -5.119 -20.571 6.544 1.00 12.10 H new ATOM 263 N PRO A 157 -0.420 -15.383 1.274 1.00 53.04 N ATOM 264 CA PRO A 157 0.659 -15.237 0.285 1.00 14.54 C ATOM 265 C PRO A 157 0.276 -15.501 -1.179 1.00 52.13 C ATOM 266 O PRO A 157 0.886 -14.927 -2.081 1.00 32.31 O ATOM 267 CB PRO A 157 1.759 -16.173 0.763 1.00 42.12 C ATOM 268 CG PRO A 157 1.483 -16.389 2.215 1.00 1.33 C ATOM 269 CD PRO A 157 -0.006 -16.251 2.401 1.00 55.45 C ATOM 0 HA PRO A 157 0.965 -14.192 0.245 1.00 14.54 H new ATOM 0 HB2 PRO A 157 1.741 -17.115 0.214 1.00 42.12 H new ATOM 0 HB3 PRO A 157 2.745 -15.733 0.610 1.00 42.12 H new ATOM 0 HG2 PRO A 157 1.822 -17.376 2.530 1.00 1.33 H new ATOM 0 HG3 PRO A 157 2.018 -15.659 2.823 1.00 1.33 H new ATOM 0 HD2 PRO A 157 -0.506 -17.219 2.366 1.00 55.45 H new ATOM 0 HD3 PRO A 157 -0.250 -15.801 3.364 1.00 55.45 H new ATOM 277 N LYS A 158 -0.719 -16.326 -1.427 1.00 51.33 N ATOM 278 CA LYS A 158 -1.146 -16.553 -2.800 1.00 51.03 C ATOM 279 C LYS A 158 -1.824 -15.304 -3.352 1.00 2.54 C ATOM 280 O LYS A 158 -1.807 -15.048 -4.557 1.00 52.42 O ATOM 281 CB LYS A 158 -2.095 -17.728 -2.903 1.00 13.05 C ATOM 282 CG LYS A 158 -1.528 -19.047 -2.430 1.00 2.52 C ATOM 283 CD LYS A 158 -2.523 -20.176 -2.648 1.00 41.02 C ATOM 284 CE LYS A 158 -3.815 -19.957 -1.868 1.00 64.12 C ATOM 285 NZ LYS A 158 -4.767 -21.054 -2.077 1.00 73.22 N ATOM 0 H LYS A 158 -1.240 -16.842 -0.718 1.00 51.33 H new ATOM 0 HA LYS A 158 -0.256 -16.781 -3.387 1.00 51.03 H new ATOM 0 HB2 LYS A 158 -2.990 -17.505 -2.323 1.00 13.05 H new ATOM 0 HB3 LYS A 158 -2.407 -17.835 -3.942 1.00 13.05 H new ATOM 0 HG2 LYS A 158 -0.604 -19.263 -2.966 1.00 2.52 H new ATOM 0 HG3 LYS A 158 -1.275 -18.980 -1.372 1.00 2.52 H new ATOM 0 HD2 LYS A 158 -2.751 -20.259 -3.711 1.00 41.02 H new ATOM 0 HD3 LYS A 158 -2.072 -21.121 -2.344 1.00 41.02 H new ATOM 0 HE2 LYS A 158 -3.588 -19.869 -0.805 1.00 64.12 H new ATOM 0 HE3 LYS A 158 -4.271 -19.016 -2.176 1.00 64.12 H new ATOM 0 HZ1 LYS A 158 -5.633 -20.871 -1.531 1.00 73.22 H new ATOM 0 HZ2 LYS A 158 -5.002 -21.122 -3.088 1.00 73.22 H new ATOM 0 HZ3 LYS A 158 -4.341 -21.948 -1.760 1.00 73.22 H new ATOM 299 N ALA A 159 -2.363 -14.501 -2.454 1.00 54.00 N ATOM 300 CA ALA A 159 -3.069 -13.315 -2.832 1.00 23.22 C ATOM 301 C ALA A 159 -2.077 -12.218 -3.047 1.00 72.02 C ATOM 302 O ALA A 159 -2.187 -11.470 -4.000 1.00 15.21 O ATOM 303 CB ALA A 159 -4.101 -12.924 -1.781 1.00 4.03 C ATOM 0 H ALA A 159 -2.318 -14.661 -1.448 1.00 54.00 H new ATOM 0 HA ALA A 159 -3.617 -13.500 -3.756 1.00 23.22 H new ATOM 0 HB1 ALA A 159 -4.619 -12.019 -2.099 1.00 4.03 H new ATOM 0 HB2 ALA A 159 -4.822 -13.732 -1.661 1.00 4.03 H new ATOM 0 HB3 ALA A 159 -3.600 -12.740 -0.830 1.00 4.03 H new ATOM 309 N GLU A 160 -1.055 -12.205 -2.184 1.00 31.41 N ATOM 310 CA GLU A 160 0.054 -11.240 -2.181 1.00 74.12 C ATOM 311 C GLU A 160 0.574 -10.987 -3.576 1.00 63.22 C ATOM 312 O GLU A 160 0.732 -9.836 -3.990 1.00 43.44 O ATOM 313 CB GLU A 160 1.158 -11.774 -1.221 1.00 35.34 C ATOM 314 CG GLU A 160 2.503 -11.030 -1.175 1.00 61.52 C ATOM 315 CD GLU A 160 3.489 -11.427 -2.273 1.00 35.44 C ATOM 316 OE1 GLU A 160 4.182 -12.472 -2.135 1.00 53.24 O ATOM 317 OE2 GLU A 160 3.618 -10.712 -3.274 1.00 13.01 O ATOM 0 H GLU A 160 -0.973 -12.895 -1.437 1.00 31.41 H new ATOM 0 HA GLU A 160 -0.294 -10.272 -1.821 1.00 74.12 H new ATOM 0 HB2 GLU A 160 0.747 -11.781 -0.212 1.00 35.34 H new ATOM 0 HB3 GLU A 160 1.360 -12.811 -1.490 1.00 35.34 H new ATOM 0 HG2 GLU A 160 2.313 -9.959 -1.246 1.00 61.52 H new ATOM 0 HG3 GLU A 160 2.968 -11.208 -0.206 1.00 61.52 H new ATOM 324 N THR A 161 0.737 -12.051 -4.312 1.00 23.32 N ATOM 325 CA THR A 161 1.272 -11.990 -5.642 1.00 32.44 C ATOM 326 C THR A 161 0.398 -11.127 -6.567 1.00 53.12 C ATOM 327 O THR A 161 0.900 -10.207 -7.231 1.00 24.21 O ATOM 328 CB THR A 161 1.435 -13.410 -6.204 1.00 3.01 C ATOM 329 OG1 THR A 161 2.228 -14.178 -5.284 1.00 74.33 O ATOM 330 CG2 THR A 161 2.112 -13.397 -7.571 1.00 42.14 C ATOM 0 H THR A 161 0.500 -12.993 -4.002 1.00 23.32 H new ATOM 0 HA THR A 161 2.251 -11.514 -5.594 1.00 32.44 H new ATOM 0 HB THR A 161 0.447 -13.853 -6.326 1.00 3.01 H new ATOM 0 HG1 THR A 161 2.339 -15.088 -5.629 1.00 74.33 H new ATOM 0 HG21 THR A 161 2.211 -14.419 -7.938 1.00 42.14 H new ATOM 0 HG22 THR A 161 1.509 -12.817 -8.270 1.00 42.14 H new ATOM 0 HG23 THR A 161 3.100 -12.946 -7.483 1.00 42.14 H new ATOM 338 N TYR A 162 -0.897 -11.366 -6.572 1.00 30.30 N ATOM 339 CA TYR A 162 -1.747 -10.618 -7.446 1.00 53.00 C ATOM 340 C TYR A 162 -2.219 -9.310 -6.821 1.00 40.11 C ATOM 341 O TYR A 162 -2.614 -8.384 -7.527 1.00 51.12 O ATOM 342 CB TYR A 162 -2.891 -11.455 -8.065 1.00 51.55 C ATOM 343 CG TYR A 162 -3.932 -12.059 -7.125 1.00 54.32 C ATOM 344 CD1 TYR A 162 -5.033 -11.328 -6.733 1.00 22.23 C ATOM 345 CD2 TYR A 162 -3.850 -13.374 -6.704 1.00 12.52 C ATOM 346 CE1 TYR A 162 -6.026 -11.868 -5.958 1.00 40.34 C ATOM 347 CE2 TYR A 162 -4.839 -13.930 -5.907 1.00 55.30 C ATOM 348 CZ TYR A 162 -5.929 -13.165 -5.544 1.00 44.30 C ATOM 349 OH TYR A 162 -6.944 -13.711 -4.800 1.00 13.43 O ATOM 0 H TYR A 162 -1.367 -12.059 -5.990 1.00 30.30 H new ATOM 0 HA TYR A 162 -1.125 -10.336 -8.295 1.00 53.00 H new ATOM 0 HB2 TYR A 162 -3.416 -10.823 -8.782 1.00 51.55 H new ATOM 0 HB3 TYR A 162 -2.439 -12.270 -8.630 1.00 51.55 H new ATOM 0 HD1 TYR A 162 -5.116 -10.298 -7.046 1.00 22.23 H new ATOM 0 HD2 TYR A 162 -3.004 -13.976 -7.000 1.00 12.52 H new ATOM 0 HE1 TYR A 162 -6.881 -11.271 -5.676 1.00 40.34 H new ATOM 0 HE2 TYR A 162 -4.757 -14.954 -5.573 1.00 55.30 H new ATOM 0 HH TYR A 162 -6.852 -13.430 -3.866 1.00 13.43 H new ATOM 359 N VAL A 163 -2.158 -9.221 -5.505 1.00 2.44 N ATOM 360 CA VAL A 163 -2.539 -8.004 -4.827 1.00 51.24 C ATOM 361 C VAL A 163 -1.466 -6.949 -5.034 1.00 23.34 C ATOM 362 O VAL A 163 -1.774 -5.839 -5.421 1.00 60.04 O ATOM 363 CB VAL A 163 -2.836 -8.210 -3.297 1.00 5.11 C ATOM 364 CG1 VAL A 163 -3.149 -6.887 -2.611 1.00 75.32 C ATOM 365 CG2 VAL A 163 -4.007 -9.159 -3.098 1.00 24.32 C ATOM 0 H VAL A 163 -1.850 -9.974 -4.891 1.00 2.44 H new ATOM 0 HA VAL A 163 -3.478 -7.669 -5.268 1.00 51.24 H new ATOM 0 HB VAL A 163 -1.939 -8.638 -2.850 1.00 5.11 H new ATOM 0 HG11 VAL A 163 -3.350 -7.064 -1.554 1.00 75.32 H new ATOM 0 HG12 VAL A 163 -2.297 -6.215 -2.711 1.00 75.32 H new ATOM 0 HG13 VAL A 163 -4.025 -6.434 -3.076 1.00 75.32 H new ATOM 0 HG21 VAL A 163 -4.195 -9.287 -2.032 1.00 24.32 H new ATOM 0 HG22 VAL A 163 -4.895 -8.746 -3.576 1.00 24.32 H new ATOM 0 HG23 VAL A 163 -3.772 -10.126 -3.543 1.00 24.32 H new ATOM 375 N ARG A 164 -0.200 -7.329 -4.867 1.00 62.04 N ATOM 376 CA ARG A 164 0.910 -6.383 -5.004 1.00 50.51 C ATOM 377 C ARG A 164 0.966 -5.748 -6.397 1.00 45.43 C ATOM 378 O ARG A 164 1.143 -4.527 -6.528 1.00 65.55 O ATOM 379 CB ARG A 164 2.243 -7.039 -4.602 1.00 10.20 C ATOM 380 CG ARG A 164 3.482 -6.220 -4.910 1.00 42.40 C ATOM 381 CD ARG A 164 4.689 -6.694 -4.112 1.00 11.24 C ATOM 382 NE ARG A 164 4.870 -8.151 -4.126 1.00 70.21 N ATOM 383 CZ ARG A 164 6.044 -8.781 -4.192 1.00 62.51 C ATOM 384 NH1 ARG A 164 7.173 -8.102 -4.349 1.00 4.14 N ATOM 385 NH2 ARG A 164 6.074 -10.089 -4.075 1.00 72.04 N ATOM 0 H ARG A 164 0.084 -8.282 -4.637 1.00 62.04 H new ATOM 0 HA ARG A 164 0.729 -5.561 -4.311 1.00 50.51 H new ATOM 0 HB2 ARG A 164 2.220 -7.246 -3.532 1.00 10.20 H new ATOM 0 HB3 ARG A 164 2.325 -7.999 -5.111 1.00 10.20 H new ATOM 0 HG2 ARG A 164 3.704 -6.284 -5.975 1.00 42.40 H new ATOM 0 HG3 ARG A 164 3.288 -5.171 -4.687 1.00 42.40 H new ATOM 0 HD2 ARG A 164 5.586 -6.221 -4.512 1.00 11.24 H new ATOM 0 HD3 ARG A 164 4.585 -6.359 -3.080 1.00 11.24 H new ATOM 0 HE ARG A 164 4.030 -8.728 -4.082 1.00 70.21 H new ATOM 0 HH11 ARG A 164 7.151 -7.085 -4.421 1.00 4.14 H new ATOM 0 HH12 ARG A 164 8.063 -8.597 -4.398 1.00 4.14 H new ATOM 0 HH21 ARG A 164 5.207 -10.609 -3.936 1.00 72.04 H new ATOM 0 HH22 ARG A 164 6.964 -10.585 -4.123 1.00 72.04 H new ATOM 399 N ALA A 165 0.738 -6.551 -7.418 1.00 41.54 N ATOM 400 CA ALA A 165 0.758 -6.060 -8.787 1.00 52.32 C ATOM 401 C ALA A 165 -0.439 -5.183 -9.063 1.00 54.21 C ATOM 402 O ALA A 165 -0.384 -4.274 -9.888 1.00 5.24 O ATOM 403 CB ALA A 165 0.831 -7.206 -9.775 1.00 61.42 C ATOM 0 H ALA A 165 0.536 -7.547 -7.328 1.00 41.54 H new ATOM 0 HA ALA A 165 1.655 -5.453 -8.912 1.00 52.32 H new ATOM 0 HB1 ALA A 165 0.845 -6.810 -10.791 1.00 61.42 H new ATOM 0 HB2 ALA A 165 1.739 -7.782 -9.598 1.00 61.42 H new ATOM 0 HB3 ALA A 165 -0.038 -7.851 -9.649 1.00 61.42 H new ATOM 409 N HIS A 166 -1.504 -5.432 -8.369 1.00 14.34 N ATOM 410 CA HIS A 166 -2.677 -4.642 -8.532 1.00 31.21 C ATOM 411 C HIS A 166 -2.510 -3.331 -7.785 1.00 22.23 C ATOM 412 O HIS A 166 -2.909 -2.297 -8.280 1.00 33.11 O ATOM 413 CB HIS A 166 -3.908 -5.415 -8.072 1.00 74.15 C ATOM 414 CG HIS A 166 -5.225 -4.754 -8.350 1.00 54.42 C ATOM 415 ND1 HIS A 166 -5.964 -4.973 -9.488 1.00 0.21 N ATOM 416 CD2 HIS A 166 -5.938 -3.887 -7.601 1.00 41.45 C ATOM 417 CE1 HIS A 166 -7.076 -4.251 -9.407 1.00 3.14 C ATOM 418 NE2 HIS A 166 -7.116 -3.563 -8.273 1.00 72.43 N ATOM 0 H HIS A 166 -1.583 -6.181 -7.681 1.00 14.34 H new ATOM 0 HA HIS A 166 -2.824 -4.412 -9.587 1.00 31.21 H new ATOM 0 HB2 HIS A 166 -3.903 -6.393 -8.554 1.00 74.15 H new ATOM 0 HB3 HIS A 166 -3.827 -5.588 -6.999 1.00 74.15 H new ATOM 0 HD2 HIS A 166 -5.643 -3.505 -6.635 1.00 41.45 H new ATOM 0 HE1 HIS A 166 -7.846 -4.227 -10.164 1.00 3.14 H new ATOM 0 HE2 HIS A 166 -7.853 -2.931 -7.959 1.00 72.43 H new ATOM 426 N ILE A 167 -1.872 -3.390 -6.618 1.00 2.03 N ATOM 427 CA ILE A 167 -1.625 -2.207 -5.801 1.00 42.33 C ATOM 428 C ILE A 167 -0.843 -1.191 -6.576 1.00 41.44 C ATOM 429 O ILE A 167 -1.259 -0.043 -6.673 1.00 1.15 O ATOM 430 CB ILE A 167 -0.860 -2.508 -4.464 1.00 3.12 C ATOM 431 CG1 ILE A 167 -1.659 -3.441 -3.554 1.00 54.21 C ATOM 432 CG2 ILE A 167 -0.518 -1.207 -3.718 1.00 41.13 C ATOM 433 CD1 ILE A 167 -0.936 -3.816 -2.274 1.00 4.04 C ATOM 0 H ILE A 167 -1.514 -4.256 -6.215 1.00 2.03 H new ATOM 0 HA ILE A 167 -2.611 -1.826 -5.536 1.00 42.33 H new ATOM 0 HB ILE A 167 0.068 -3.012 -4.733 1.00 3.12 H new ATOM 0 HG12 ILE A 167 -2.605 -2.963 -3.299 1.00 54.21 H new ATOM 0 HG13 ILE A 167 -1.900 -4.351 -4.104 1.00 54.21 H new ATOM 0 HG21 ILE A 167 0.012 -1.445 -2.795 1.00 41.13 H new ATOM 0 HG22 ILE A 167 0.114 -0.582 -4.348 1.00 41.13 H new ATOM 0 HG23 ILE A 167 -1.437 -0.671 -3.481 1.00 41.13 H new ATOM 0 HD11 ILE A 167 -1.566 -4.479 -1.681 1.00 4.04 H new ATOM 0 HD12 ILE A 167 -0.003 -4.324 -2.519 1.00 4.04 H new ATOM 0 HD13 ILE A 167 -0.719 -2.914 -1.701 1.00 4.04 H new ATOM 445 N VAL A 168 0.250 -1.619 -7.177 1.00 30.23 N ATOM 446 CA VAL A 168 1.118 -0.688 -7.868 1.00 0.21 C ATOM 447 C VAL A 168 0.415 -0.037 -9.048 1.00 31.02 C ATOM 448 O VAL A 168 0.536 1.157 -9.259 1.00 75.35 O ATOM 449 CB VAL A 168 2.508 -1.303 -8.252 1.00 63.50 C ATOM 450 CG1 VAL A 168 2.366 -2.505 -9.175 1.00 35.14 C ATOM 451 CG2 VAL A 168 3.431 -0.261 -8.872 1.00 33.43 C ATOM 0 H VAL A 168 0.555 -2.592 -7.201 1.00 30.23 H new ATOM 0 HA VAL A 168 1.347 0.105 -7.157 1.00 0.21 H new ATOM 0 HB VAL A 168 2.961 -1.649 -7.323 1.00 63.50 H new ATOM 0 HG11 VAL A 168 3.354 -2.898 -9.415 1.00 35.14 H new ATOM 0 HG12 VAL A 168 1.778 -3.277 -8.679 1.00 35.14 H new ATOM 0 HG13 VAL A 168 1.864 -2.201 -10.093 1.00 35.14 H new ATOM 0 HG21 VAL A 168 4.385 -0.724 -9.125 1.00 33.43 H new ATOM 0 HG22 VAL A 168 2.972 0.141 -9.775 1.00 33.43 H new ATOM 0 HG23 VAL A 168 3.598 0.547 -8.160 1.00 33.43 H new ATOM 461 N GLN A 169 -0.388 -0.791 -9.745 1.00 3.45 N ATOM 462 CA GLN A 169 -1.093 -0.240 -10.877 1.00 45.14 C ATOM 463 C GLN A 169 -2.258 0.635 -10.430 1.00 74.24 C ATOM 464 O GLN A 169 -2.476 1.730 -10.971 1.00 55.45 O ATOM 465 CB GLN A 169 -1.560 -1.341 -11.809 1.00 12.31 C ATOM 466 CG GLN A 169 -0.425 -2.151 -12.403 1.00 25.25 C ATOM 467 CD GLN A 169 -0.919 -3.296 -13.240 1.00 21.45 C ATOM 468 OE1 GLN A 169 -1.126 -3.161 -14.445 1.00 33.00 O ATOM 469 NE2 GLN A 169 -1.100 -4.426 -12.624 1.00 24.43 N ATOM 0 H GLN A 169 -0.572 -1.776 -9.556 1.00 3.45 H new ATOM 0 HA GLN A 169 -0.399 0.395 -11.428 1.00 45.14 H new ATOM 0 HB2 GLN A 169 -2.227 -2.009 -11.264 1.00 12.31 H new ATOM 0 HB3 GLN A 169 -2.143 -0.899 -12.617 1.00 12.31 H new ATOM 0 HG2 GLN A 169 0.201 -1.501 -13.014 1.00 25.25 H new ATOM 0 HG3 GLN A 169 0.203 -2.536 -11.600 1.00 25.25 H new ATOM 0 HE21 GLN A 169 -0.917 -4.496 -11.623 1.00 24.43 H new ATOM 0 HE22 GLN A 169 -1.425 -5.243 -13.142 1.00 24.43 H new ATOM 478 N ARG A 170 -2.956 0.195 -9.405 1.00 1.43 N ATOM 479 CA ARG A 170 -4.130 0.884 -8.948 1.00 65.40 C ATOM 480 C ARG A 170 -3.752 2.197 -8.286 1.00 34.12 C ATOM 481 O ARG A 170 -4.440 3.201 -8.460 1.00 33.41 O ATOM 482 CB ARG A 170 -4.938 0.005 -7.990 1.00 51.34 C ATOM 483 CG ARG A 170 -6.384 0.434 -7.769 1.00 5.33 C ATOM 484 CD ARG A 170 -7.295 0.080 -8.956 1.00 32.03 C ATOM 485 NE ARG A 170 -6.943 0.761 -10.222 1.00 73.11 N ATOM 486 CZ ARG A 170 -7.693 1.697 -10.830 1.00 61.34 C ATOM 487 NH1 ARG A 170 -8.765 2.194 -10.223 1.00 53.43 N ATOM 488 NH2 ARG A 170 -7.349 2.133 -12.034 1.00 73.12 N ATOM 0 H ARG A 170 -2.723 -0.644 -8.873 1.00 1.43 H new ATOM 0 HA ARG A 170 -4.756 1.104 -9.813 1.00 65.40 H new ATOM 0 HB2 ARG A 170 -4.934 -1.016 -8.371 1.00 51.34 H new ATOM 0 HB3 ARG A 170 -4.431 -0.013 -7.025 1.00 51.34 H new ATOM 0 HG2 ARG A 170 -6.767 -0.044 -6.867 1.00 5.33 H new ATOM 0 HG3 ARG A 170 -6.418 1.510 -7.599 1.00 5.33 H new ATOM 0 HD2 ARG A 170 -7.261 -0.998 -9.116 1.00 32.03 H new ATOM 0 HD3 ARG A 170 -8.323 0.331 -8.696 1.00 32.03 H new ATOM 0 HE ARG A 170 -6.063 0.500 -10.668 1.00 73.11 H new ATOM 0 HH11 ARG A 170 -9.022 1.866 -9.292 1.00 53.43 H new ATOM 0 HH12 ARG A 170 -9.331 2.904 -10.688 1.00 53.43 H new ATOM 0 HH21 ARG A 170 -6.519 1.759 -12.494 1.00 73.12 H new ATOM 0 HH22 ARG A 170 -7.914 2.843 -12.500 1.00 73.12 H new ATOM 502 N THR A 171 -2.647 2.210 -7.567 1.00 71.42 N ATOM 503 CA THR A 171 -2.225 3.417 -6.921 1.00 74.33 C ATOM 504 C THR A 171 -1.655 4.385 -7.943 1.00 22.12 C ATOM 505 O THR A 171 -1.951 5.586 -7.901 1.00 1.24 O ATOM 506 CB THR A 171 -1.219 3.140 -5.788 1.00 3.23 C ATOM 507 OG1 THR A 171 -0.167 2.320 -6.278 1.00 42.43 O ATOM 508 CG2 THR A 171 -1.899 2.447 -4.621 1.00 10.30 C ATOM 0 H THR A 171 -2.038 1.405 -7.422 1.00 71.42 H new ATOM 0 HA THR A 171 -3.099 3.876 -6.459 1.00 74.33 H new ATOM 0 HB THR A 171 -0.817 4.092 -5.441 1.00 3.23 H new ATOM 0 HG1 THR A 171 -0.399 1.377 -6.147 1.00 42.43 H new ATOM 0 HG21 THR A 171 -1.169 2.261 -3.833 1.00 10.30 H new ATOM 0 HG22 THR A 171 -2.696 3.082 -4.235 1.00 10.30 H new ATOM 0 HG23 THR A 171 -2.320 1.499 -4.956 1.00 10.30 H new ATOM 516 N SER A 172 -0.931 3.833 -8.918 1.00 45.24 N ATOM 517 CA SER A 172 -0.314 4.605 -9.972 1.00 71.12 C ATOM 518 C SER A 172 -1.379 5.414 -10.732 1.00 31.32 C ATOM 519 O SER A 172 -1.157 6.582 -11.071 1.00 53.40 O ATOM 520 CB SER A 172 0.450 3.657 -10.928 1.00 53.14 C ATOM 521 OG SER A 172 1.268 4.349 -11.860 1.00 30.11 O ATOM 0 H SER A 172 -0.761 2.830 -8.990 1.00 45.24 H new ATOM 0 HA SER A 172 0.396 5.309 -9.538 1.00 71.12 H new ATOM 0 HB2 SER A 172 1.071 2.981 -10.340 1.00 53.14 H new ATOM 0 HB3 SER A 172 -0.268 3.041 -11.470 1.00 53.14 H new ATOM 0 HG SER A 172 1.727 3.702 -12.436 1.00 30.11 H new ATOM 527 N SER A 173 -2.545 4.808 -10.942 1.00 22.23 N ATOM 528 CA SER A 173 -3.616 5.451 -11.660 1.00 63.41 C ATOM 529 C SER A 173 -4.410 6.451 -10.775 1.00 61.22 C ATOM 530 O SER A 173 -5.087 7.340 -11.283 1.00 64.21 O ATOM 531 CB SER A 173 -4.558 4.388 -12.245 1.00 3.21 C ATOM 532 OG SER A 173 -5.575 4.971 -13.050 1.00 45.15 O ATOM 0 H SER A 173 -2.762 3.866 -10.618 1.00 22.23 H new ATOM 0 HA SER A 173 -3.169 6.032 -12.467 1.00 63.41 H new ATOM 0 HB2 SER A 173 -3.982 3.681 -12.842 1.00 3.21 H new ATOM 0 HB3 SER A 173 -5.016 3.822 -11.434 1.00 3.21 H new ATOM 0 HG SER A 173 -6.154 4.266 -13.407 1.00 45.15 H new ATOM 538 N ASN A 174 -4.310 6.328 -9.474 1.00 70.24 N ATOM 539 CA ASN A 174 -5.109 7.150 -8.575 1.00 50.14 C ATOM 540 C ASN A 174 -4.368 8.333 -7.984 1.00 75.14 C ATOM 541 O ASN A 174 -4.726 8.808 -6.903 1.00 1.14 O ATOM 542 CB ASN A 174 -5.805 6.315 -7.494 1.00 40.33 C ATOM 543 CG ASN A 174 -7.046 5.609 -8.022 1.00 10.03 C ATOM 544 OD1 ASN A 174 -8.143 6.161 -7.992 1.00 1.05 O ATOM 545 ND2 ASN A 174 -6.900 4.398 -8.491 1.00 23.13 N ATOM 0 H ASN A 174 -3.686 5.670 -9.007 1.00 70.24 H new ATOM 0 HA ASN A 174 -5.882 7.585 -9.208 1.00 50.14 H new ATOM 0 HB2 ASN A 174 -5.107 5.575 -7.103 1.00 40.33 H new ATOM 0 HB3 ASN A 174 -6.083 6.961 -6.661 1.00 40.33 H new ATOM 0 HD21 ASN A 174 -7.709 3.887 -8.844 1.00 23.13 H new ATOM 0 HD22 ASN A 174 -5.977 3.964 -8.504 1.00 23.13 H new ATOM 552 N ASP A 175 -3.375 8.844 -8.734 1.00 15.24 N ATOM 553 CA ASP A 175 -2.565 10.046 -8.355 1.00 2.43 C ATOM 554 C ASP A 175 -1.624 9.724 -7.219 1.00 30.31 C ATOM 555 O ASP A 175 -1.085 10.611 -6.545 1.00 65.32 O ATOM 556 CB ASP A 175 -3.445 11.272 -7.977 1.00 3.51 C ATOM 557 CG ASP A 175 -4.314 11.780 -9.101 1.00 2.43 C ATOM 558 OD1 ASP A 175 -5.398 11.191 -9.353 1.00 44.24 O ATOM 559 OD2 ASP A 175 -3.976 12.803 -9.724 1.00 15.41 O ATOM 0 H ASP A 175 -3.100 8.441 -9.630 1.00 15.24 H new ATOM 0 HA ASP A 175 -1.989 10.317 -9.240 1.00 2.43 H new ATOM 0 HB2 ASP A 175 -4.081 11.002 -7.134 1.00 3.51 H new ATOM 0 HB3 ASP A 175 -2.796 12.081 -7.640 1.00 3.51 H new ATOM 564 N ILE A 176 -1.394 8.464 -7.026 1.00 75.33 N ATOM 565 CA ILE A 176 -0.542 8.017 -5.983 1.00 71.51 C ATOM 566 C ILE A 176 0.755 7.528 -6.610 1.00 63.14 C ATOM 567 O ILE A 176 0.748 6.907 -7.677 1.00 41.03 O ATOM 568 CB ILE A 176 -1.211 6.862 -5.187 1.00 31.50 C ATOM 569 CG1 ILE A 176 -2.618 7.280 -4.715 1.00 20.55 C ATOM 570 CG2 ILE A 176 -0.347 6.453 -4.003 1.00 50.24 C ATOM 571 CD1 ILE A 176 -3.363 6.212 -3.936 1.00 21.32 C ATOM 0 H ILE A 176 -1.796 7.717 -7.593 1.00 75.33 H new ATOM 0 HA ILE A 176 -0.347 8.835 -5.290 1.00 71.51 H new ATOM 0 HB ILE A 176 -1.310 6.001 -5.848 1.00 31.50 H new ATOM 0 HG12 ILE A 176 -2.529 8.170 -4.093 1.00 20.55 H new ATOM 0 HG13 ILE A 176 -3.212 7.558 -5.586 1.00 20.55 H new ATOM 0 HG21 ILE A 176 -0.834 5.643 -3.460 1.00 50.24 H new ATOM 0 HG22 ILE A 176 0.626 6.116 -4.362 1.00 50.24 H new ATOM 0 HG23 ILE A 176 -0.213 7.307 -3.338 1.00 50.24 H new ATOM 0 HD11 ILE A 176 -4.342 6.591 -3.644 1.00 21.32 H new ATOM 0 HD12 ILE A 176 -3.488 5.327 -4.560 1.00 21.32 H new ATOM 0 HD13 ILE A 176 -2.795 5.949 -3.044 1.00 21.32 H new ATOM 583 N THR A 177 1.843 7.863 -6.010 1.00 13.40 N ATOM 584 CA THR A 177 3.124 7.408 -6.445 1.00 34.25 C ATOM 585 C THR A 177 3.658 6.509 -5.334 1.00 44.03 C ATOM 586 O THR A 177 3.367 6.749 -4.161 1.00 11.10 O ATOM 587 CB THR A 177 4.050 8.619 -6.676 1.00 61.14 C ATOM 588 OG1 THR A 177 3.327 9.588 -7.473 1.00 60.15 O ATOM 589 CG2 THR A 177 5.308 8.205 -7.429 1.00 22.14 C ATOM 0 H THR A 177 1.872 8.470 -5.191 1.00 13.40 H new ATOM 0 HA THR A 177 3.067 6.860 -7.385 1.00 34.25 H new ATOM 0 HB THR A 177 4.345 9.036 -5.713 1.00 61.14 H new ATOM 0 HG1 THR A 177 3.896 10.370 -7.632 1.00 60.15 H new ATOM 0 HG21 THR A 177 5.945 9.076 -7.580 1.00 22.14 H new ATOM 0 HG22 THR A 177 5.849 7.456 -6.850 1.00 22.14 H new ATOM 0 HG23 THR A 177 5.032 7.786 -8.396 1.00 22.14 H new ATOM 597 N LEU A 178 4.362 5.474 -5.668 1.00 71.01 N ATOM 598 CA LEU A 178 4.816 4.566 -4.656 1.00 63.55 C ATOM 599 C LEU A 178 6.213 4.902 -4.245 1.00 41.10 C ATOM 600 O LEU A 178 7.027 5.338 -5.061 1.00 14.13 O ATOM 601 CB LEU A 178 4.736 3.093 -5.092 1.00 22.15 C ATOM 602 CG LEU A 178 3.352 2.542 -5.456 1.00 11.30 C ATOM 603 CD1 LEU A 178 2.899 2.995 -6.840 1.00 54.04 C ATOM 604 CD2 LEU A 178 3.334 1.035 -5.334 1.00 52.10 C ATOM 0 H LEU A 178 4.634 5.236 -6.622 1.00 71.01 H new ATOM 0 HA LEU A 178 4.143 4.684 -3.807 1.00 63.55 H new ATOM 0 HB2 LEU A 178 5.389 2.960 -5.954 1.00 22.15 H new ATOM 0 HB3 LEU A 178 5.142 2.480 -4.287 1.00 22.15 H new ATOM 0 HG LEU A 178 2.636 2.953 -4.745 1.00 11.30 H new ATOM 0 HD11 LEU A 178 1.914 2.580 -7.054 1.00 54.04 H new ATOM 0 HD12 LEU A 178 2.848 4.083 -6.868 1.00 54.04 H new ATOM 0 HD13 LEU A 178 3.610 2.645 -7.588 1.00 54.04 H new ATOM 0 HD21 LEU A 178 2.344 0.661 -5.596 1.00 52.10 H new ATOM 0 HD22 LEU A 178 4.075 0.606 -6.009 1.00 52.10 H new ATOM 0 HD23 LEU A 178 3.570 0.750 -4.309 1.00 52.10 H new ATOM 616 N ARG A 179 6.479 4.753 -2.983 1.00 41.43 N ATOM 617 CA ARG A 179 7.793 4.970 -2.472 1.00 1.40 C ATOM 618 C ARG A 179 8.514 3.637 -2.430 1.00 71.41 C ATOM 619 O ARG A 179 9.686 3.527 -2.793 1.00 75.15 O ATOM 620 CB ARG A 179 7.737 5.633 -1.100 1.00 4.32 C ATOM 621 CG ARG A 179 9.087 6.020 -0.549 1.00 61.43 C ATOM 622 CD ARG A 179 8.947 6.752 0.763 1.00 11.53 C ATOM 623 NE ARG A 179 10.241 7.137 1.303 1.00 2.24 N ATOM 624 CZ ARG A 179 10.565 7.158 2.593 1.00 21.13 C ATOM 625 NH1 ARG A 179 9.663 6.883 3.520 1.00 60.41 N ATOM 626 NH2 ARG A 179 11.789 7.473 2.938 1.00 64.35 N ATOM 0 H ARG A 179 5.791 4.478 -2.282 1.00 41.43 H new ATOM 0 HA ARG A 179 8.343 5.651 -3.122 1.00 1.40 H new ATOM 0 HB2 ARG A 179 7.113 6.525 -1.164 1.00 4.32 H new ATOM 0 HB3 ARG A 179 7.251 4.954 -0.399 1.00 4.32 H new ATOM 0 HG2 ARG A 179 9.696 5.127 -0.408 1.00 61.43 H new ATOM 0 HG3 ARG A 179 9.609 6.651 -1.268 1.00 61.43 H new ATOM 0 HD2 ARG A 179 8.333 7.641 0.620 1.00 11.53 H new ATOM 0 HD3 ARG A 179 8.427 6.117 1.481 1.00 11.53 H new ATOM 0 HE ARG A 179 10.961 7.414 0.636 1.00 2.24 H new ATOM 0 HH11 ARG A 179 8.707 6.652 3.249 1.00 60.41 H new ATOM 0 HH12 ARG A 179 9.923 6.902 4.506 1.00 60.41 H new ATOM 0 HH21 ARG A 179 12.479 7.698 2.221 1.00 64.35 H new ATOM 0 HH22 ARG A 179 12.052 7.493 3.923 1.00 64.35 H new ATOM 640 N GLY A 180 7.781 2.629 -2.047 1.00 70.55 N ATOM 641 CA GLY A 180 8.292 1.289 -2.004 1.00 71.53 C ATOM 642 C GLY A 180 7.240 0.345 -1.522 1.00 12.04 C ATOM 643 O GLY A 180 6.181 0.783 -1.044 1.00 64.34 O ATOM 0 H GLY A 180 6.808 2.715 -1.755 1.00 70.55 H new ATOM 0 HA2 GLY A 180 8.631 0.990 -2.996 1.00 71.53 H new ATOM 0 HA3 GLY A 180 9.159 1.245 -1.345 1.00 71.53 H new ATOM 647 N ILE A 181 7.491 -0.924 -1.659 1.00 43.12 N ATOM 648 CA ILE A 181 6.567 -1.945 -1.214 1.00 12.42 C ATOM 649 C ILE A 181 7.324 -2.939 -0.358 1.00 63.11 C ATOM 650 O ILE A 181 8.201 -3.665 -0.845 1.00 50.10 O ATOM 651 CB ILE A 181 5.873 -2.700 -2.390 1.00 31.14 C ATOM 652 CG1 ILE A 181 5.146 -1.717 -3.327 1.00 24.05 C ATOM 653 CG2 ILE A 181 4.880 -3.731 -1.837 1.00 14.42 C ATOM 654 CD1 ILE A 181 4.508 -2.372 -4.541 1.00 74.21 C ATOM 0 H ILE A 181 8.344 -1.289 -2.083 1.00 43.12 H new ATOM 0 HA ILE A 181 5.777 -1.450 -0.649 1.00 12.42 H new ATOM 0 HB ILE A 181 6.642 -3.213 -2.967 1.00 31.14 H new ATOM 0 HG12 ILE A 181 4.374 -1.196 -2.761 1.00 24.05 H new ATOM 0 HG13 ILE A 181 5.856 -0.963 -3.666 1.00 24.05 H new ATOM 0 HG21 ILE A 181 4.400 -4.254 -2.664 1.00 14.42 H new ATOM 0 HG22 ILE A 181 5.411 -4.450 -1.213 1.00 14.42 H new ATOM 0 HG23 ILE A 181 4.122 -3.223 -1.240 1.00 14.42 H new ATOM 0 HD11 ILE A 181 4.017 -1.612 -5.149 1.00 74.21 H new ATOM 0 HD12 ILE A 181 5.277 -2.869 -5.133 1.00 74.21 H new ATOM 0 HD13 ILE A 181 3.772 -3.106 -4.214 1.00 74.21 H new ATOM 666 N ARG A 182 7.007 -2.958 0.894 1.00 5.43 N ATOM 667 CA ARG A 182 7.662 -3.805 1.825 1.00 72.31 C ATOM 668 C ARG A 182 6.796 -5.015 2.126 1.00 31.00 C ATOM 669 O ARG A 182 5.718 -4.892 2.699 1.00 41.10 O ATOM 670 CB ARG A 182 7.987 -3.022 3.099 1.00 61.42 C ATOM 671 CG ARG A 182 8.557 -3.859 4.224 1.00 30.42 C ATOM 672 CD ARG A 182 8.894 -2.999 5.420 1.00 43.32 C ATOM 673 NE ARG A 182 9.237 -3.807 6.591 1.00 33.14 N ATOM 674 CZ ARG A 182 9.713 -3.322 7.741 1.00 71.21 C ATOM 675 NH1 ARG A 182 10.058 -2.033 7.840 1.00 55.11 N ATOM 676 NH2 ARG A 182 9.857 -4.135 8.784 1.00 42.53 N ATOM 0 H ARG A 182 6.275 -2.376 1.301 1.00 5.43 H new ATOM 0 HA ARG A 182 8.599 -4.161 1.397 1.00 72.31 H new ATOM 0 HB2 ARG A 182 8.698 -2.233 2.854 1.00 61.42 H new ATOM 0 HB3 ARG A 182 7.079 -2.533 3.451 1.00 61.42 H new ATOM 0 HG2 ARG A 182 7.837 -4.625 4.513 1.00 30.42 H new ATOM 0 HG3 ARG A 182 9.452 -4.377 3.880 1.00 30.42 H new ATOM 0 HD2 ARG A 182 9.730 -2.344 5.173 1.00 43.32 H new ATOM 0 HD3 ARG A 182 8.045 -2.357 5.657 1.00 43.32 H new ATOM 0 HE ARG A 182 9.103 -4.816 6.524 1.00 33.14 H new ATOM 0 HH11 ARG A 182 9.958 -1.415 7.035 1.00 55.11 H new ATOM 0 HH12 ARG A 182 10.421 -1.668 8.721 1.00 55.11 H new ATOM 0 HH21 ARG A 182 9.605 -5.120 8.702 1.00 42.53 H new ATOM 0 HH22 ARG A 182 10.220 -3.774 9.666 1.00 42.53 H new ATOM 690 N THR A 183 7.250 -6.156 1.720 1.00 61.21 N ATOM 691 CA THR A 183 6.531 -7.372 1.961 1.00 55.21 C ATOM 692 C THR A 183 7.140 -8.068 3.199 1.00 33.33 C ATOM 693 O THR A 183 8.375 -8.161 3.332 1.00 62.43 O ATOM 694 CB THR A 183 6.551 -8.301 0.689 1.00 52.33 C ATOM 695 OG1 THR A 183 5.798 -9.484 0.911 1.00 45.31 O ATOM 696 CG2 THR A 183 7.969 -8.673 0.261 1.00 72.24 C ATOM 0 H THR A 183 8.127 -6.275 1.213 1.00 61.21 H new ATOM 0 HA THR A 183 5.483 -7.151 2.162 1.00 55.21 H new ATOM 0 HB THR A 183 6.096 -7.726 -0.118 1.00 52.33 H new ATOM 0 HG1 THR A 183 5.824 -10.044 0.107 1.00 45.31 H new ATOM 0 HG21 THR A 183 7.927 -9.314 -0.620 1.00 72.24 H new ATOM 0 HG22 THR A 183 8.527 -7.767 0.024 1.00 72.24 H new ATOM 0 HG23 THR A 183 8.467 -9.204 1.073 1.00 72.24 H new ATOM 704 N GLY A 184 6.310 -8.443 4.140 1.00 12.10 N ATOM 705 CA GLY A 184 6.794 -9.111 5.330 1.00 75.51 C ATOM 706 C GLY A 184 5.804 -10.120 5.851 1.00 53.52 C ATOM 707 O GLY A 184 4.614 -9.906 5.720 1.00 40.22 O ATOM 0 H GLY A 184 5.301 -8.300 4.109 1.00 12.10 H new ATOM 0 HA2 GLY A 184 7.737 -9.610 5.108 1.00 75.51 H new ATOM 0 HA3 GLY A 184 6.999 -8.371 6.104 1.00 75.51 H new ATOM 711 N PRO A 185 6.258 -11.234 6.443 1.00 25.44 N ATOM 712 CA PRO A 185 5.358 -12.256 7.009 1.00 61.22 C ATOM 713 C PRO A 185 4.525 -11.682 8.171 1.00 0.54 C ATOM 714 O PRO A 185 4.985 -10.780 8.892 1.00 23.41 O ATOM 715 CB PRO A 185 6.323 -13.350 7.505 1.00 3.32 C ATOM 716 CG PRO A 185 7.640 -12.668 7.657 1.00 32.01 C ATOM 717 CD PRO A 185 7.675 -11.589 6.615 1.00 34.23 C ATOM 0 HA PRO A 185 4.631 -12.627 6.286 1.00 61.22 H new ATOM 0 HB2 PRO A 185 5.986 -13.773 8.452 1.00 3.32 H new ATOM 0 HB3 PRO A 185 6.385 -14.173 6.793 1.00 3.32 H new ATOM 0 HG2 PRO A 185 7.747 -12.247 8.657 1.00 32.01 H new ATOM 0 HG3 PRO A 185 8.461 -13.371 7.517 1.00 32.01 H new ATOM 0 HD2 PRO A 185 8.266 -10.734 6.942 1.00 34.23 H new ATOM 0 HD3 PRO A 185 8.116 -11.944 5.684 1.00 34.23 H new ATOM 725 N ALA A 186 3.291 -12.154 8.332 1.00 73.02 N ATOM 726 CA ALA A 186 2.434 -11.620 9.379 1.00 22.11 C ATOM 727 C ALA A 186 2.400 -12.515 10.618 1.00 74.12 C ATOM 728 O ALA A 186 1.740 -12.199 11.606 1.00 23.03 O ATOM 729 CB ALA A 186 1.046 -11.362 8.850 1.00 50.41 C ATOM 0 H ALA A 186 2.872 -12.889 7.763 1.00 73.02 H new ATOM 0 HA ALA A 186 2.864 -10.670 9.695 1.00 22.11 H new ATOM 0 HB1 ALA A 186 0.421 -10.963 9.649 1.00 50.41 H new ATOM 0 HB2 ALA A 186 1.096 -10.641 8.034 1.00 50.41 H new ATOM 0 HB3 ALA A 186 0.617 -12.295 8.485 1.00 50.41 H new ATOM 735 N GLY A 187 3.071 -13.638 10.549 1.00 21.31 N ATOM 736 CA GLY A 187 3.204 -14.466 11.700 1.00 71.11 C ATOM 737 C GLY A 187 2.698 -15.869 11.527 1.00 63.11 C ATOM 738 O GLY A 187 3.457 -16.834 11.700 1.00 20.12 O ATOM 0 H GLY A 187 3.528 -13.990 9.708 1.00 21.31 H new ATOM 0 HA2 GLY A 187 4.256 -14.506 11.982 1.00 71.11 H new ATOM 0 HA3 GLY A 187 2.669 -14.001 12.529 1.00 71.11 H new ATOM 742 N ASP A 188 1.445 -16.003 11.180 1.00 33.40 N ATOM 743 CA ASP A 188 0.830 -17.323 11.096 1.00 70.33 C ATOM 744 C ASP A 188 1.091 -17.993 9.770 1.00 2.01 C ATOM 745 O ASP A 188 1.988 -18.835 9.644 1.00 61.11 O ATOM 746 CB ASP A 188 -0.685 -17.282 11.369 1.00 32.53 C ATOM 747 CG ASP A 188 -1.037 -16.908 12.784 1.00 25.23 C ATOM 748 OD1 ASP A 188 -1.090 -17.791 13.655 1.00 25.12 O ATOM 749 OD2 ASP A 188 -1.286 -15.719 13.056 1.00 64.33 O ATOM 0 H ASP A 188 0.825 -15.227 10.950 1.00 33.40 H new ATOM 0 HA ASP A 188 1.303 -17.915 11.879 1.00 70.33 H new ATOM 0 HB2 ASP A 188 -1.148 -16.568 10.688 1.00 32.53 H new ATOM 0 HB3 ASP A 188 -1.112 -18.259 11.144 1.00 32.53 H new ATOM 754 N ASP A 189 0.373 -17.570 8.776 1.00 33.12 N ATOM 755 CA ASP A 189 0.395 -18.200 7.462 1.00 60.14 C ATOM 756 C ASP A 189 -0.169 -17.187 6.479 1.00 32.10 C ATOM 757 O ASP A 189 -0.952 -17.480 5.565 1.00 3.00 O ATOM 758 CB ASP A 189 -0.435 -19.491 7.512 1.00 44.11 C ATOM 759 CG ASP A 189 -0.284 -20.361 6.289 1.00 71.20 C ATOM 760 OD1 ASP A 189 0.803 -20.380 5.670 1.00 51.35 O ATOM 761 OD2 ASP A 189 -1.258 -21.063 5.925 1.00 23.33 O ATOM 0 H ASP A 189 -0.257 -16.770 8.839 1.00 33.12 H new ATOM 0 HA ASP A 189 1.401 -18.480 7.150 1.00 60.14 H new ATOM 0 HB2 ASP A 189 -0.144 -20.065 8.392 1.00 44.11 H new ATOM 0 HB3 ASP A 189 -1.487 -19.231 7.634 1.00 44.11 H new ATOM 766 N ASN A 190 0.324 -16.006 6.675 1.00 44.12 N ATOM 767 CA ASN A 190 -0.060 -14.798 6.033 1.00 55.34 C ATOM 768 C ASN A 190 1.102 -13.908 5.910 1.00 63.32 C ATOM 769 O ASN A 190 2.110 -14.062 6.620 1.00 5.03 O ATOM 770 CB ASN A 190 -1.194 -14.043 6.753 1.00 73.43 C ATOM 771 CG ASN A 190 -1.163 -14.029 8.300 1.00 54.43 C ATOM 772 OD1 ASN A 190 -0.627 -14.922 8.961 1.00 61.22 O ATOM 773 ND2 ASN A 190 -1.753 -13.029 8.887 1.00 14.24 N ATOM 0 H ASN A 190 1.073 -15.854 7.350 1.00 44.12 H new ATOM 0 HA ASN A 190 -0.442 -15.086 5.053 1.00 55.34 H new ATOM 0 HB2 ASN A 190 -1.186 -13.010 6.406 1.00 73.43 H new ATOM 0 HB3 ASN A 190 -2.143 -14.478 6.438 1.00 73.43 H new ATOM 0 HD21 ASN A 190 -1.776 -12.977 9.905 1.00 14.24 H new ATOM 0 HD22 ASN A 190 -2.192 -12.297 8.329 1.00 14.24 H new ATOM 780 N ILE A 191 0.955 -12.966 5.073 1.00 53.53 N ATOM 781 CA ILE A 191 2.001 -12.053 4.752 1.00 21.03 C ATOM 782 C ILE A 191 1.382 -10.669 4.598 1.00 12.13 C ATOM 783 O ILE A 191 0.196 -10.548 4.310 1.00 51.11 O ATOM 784 CB ILE A 191 2.726 -12.529 3.454 1.00 12.13 C ATOM 785 CG1 ILE A 191 3.993 -11.722 3.166 1.00 23.11 C ATOM 786 CG2 ILE A 191 1.783 -12.487 2.260 1.00 64.33 C ATOM 787 CD1 ILE A 191 4.838 -12.301 2.051 1.00 74.21 C ATOM 0 H ILE A 191 0.085 -12.792 4.570 1.00 53.53 H new ATOM 0 HA ILE A 191 2.753 -12.011 5.540 1.00 21.03 H new ATOM 0 HB ILE A 191 3.033 -13.561 3.624 1.00 12.13 H new ATOM 0 HG12 ILE A 191 3.713 -10.701 2.906 1.00 23.11 H new ATOM 0 HG13 ILE A 191 4.593 -11.666 4.074 1.00 23.11 H new ATOM 0 HG21 ILE A 191 2.311 -12.823 1.367 1.00 64.33 H new ATOM 0 HG22 ILE A 191 0.931 -13.141 2.446 1.00 64.33 H new ATOM 0 HG23 ILE A 191 1.431 -11.466 2.110 1.00 64.33 H new ATOM 0 HD11 ILE A 191 5.720 -11.678 1.901 1.00 74.21 H new ATOM 0 HD12 ILE A 191 5.149 -13.311 2.317 1.00 74.21 H new ATOM 0 HD13 ILE A 191 4.255 -12.331 1.131 1.00 74.21 H new ATOM 799 N THR A 192 2.128 -9.660 4.867 1.00 41.11 N ATOM 800 CA THR A 192 1.644 -8.331 4.790 1.00 13.11 C ATOM 801 C THR A 192 2.420 -7.538 3.768 1.00 52.11 C ATOM 802 O THR A 192 3.658 -7.554 3.750 1.00 15.12 O ATOM 803 CB THR A 192 1.752 -7.646 6.149 1.00 12.23 C ATOM 804 OG1 THR A 192 1.138 -8.481 7.125 1.00 42.03 O ATOM 805 CG2 THR A 192 1.051 -6.298 6.129 1.00 44.04 C ATOM 0 H THR A 192 3.105 -9.735 5.151 1.00 41.11 H new ATOM 0 HA THR A 192 0.598 -8.372 4.488 1.00 13.11 H new ATOM 0 HB THR A 192 2.803 -7.484 6.387 1.00 12.23 H new ATOM 0 HG1 THR A 192 1.200 -8.055 8.006 1.00 42.03 H new ATOM 0 HG21 THR A 192 1.140 -5.827 7.108 1.00 44.04 H new ATOM 0 HG22 THR A 192 1.512 -5.659 5.376 1.00 44.04 H new ATOM 0 HG23 THR A 192 -0.003 -6.439 5.889 1.00 44.04 H new ATOM 813 N LEU A 193 1.701 -6.885 2.922 1.00 1.22 N ATOM 814 CA LEU A 193 2.278 -6.001 1.954 1.00 34.30 C ATOM 815 C LEU A 193 2.109 -4.592 2.448 1.00 32.42 C ATOM 816 O LEU A 193 0.989 -4.077 2.486 1.00 31.31 O ATOM 817 CB LEU A 193 1.577 -6.141 0.610 1.00 24.02 C ATOM 818 CG LEU A 193 1.795 -7.436 -0.145 1.00 35.34 C ATOM 819 CD1 LEU A 193 0.834 -7.506 -1.315 1.00 34.01 C ATOM 820 CD2 LEU A 193 3.232 -7.499 -0.636 1.00 42.21 C ATOM 0 H LEU A 193 0.684 -6.946 2.878 1.00 1.22 H new ATOM 0 HA LEU A 193 3.332 -6.248 1.823 1.00 34.30 H new ATOM 0 HB2 LEU A 193 0.506 -6.019 0.772 1.00 24.02 H new ATOM 0 HB3 LEU A 193 1.899 -5.318 -0.028 1.00 24.02 H new ATOM 0 HG LEU A 193 1.610 -8.284 0.514 1.00 35.34 H new ATOM 0 HD11 LEU A 193 0.990 -8.438 -1.859 1.00 34.01 H new ATOM 0 HD12 LEU A 193 -0.191 -7.468 -0.947 1.00 34.01 H new ATOM 0 HD13 LEU A 193 1.011 -6.662 -1.982 1.00 34.01 H new ATOM 0 HD21 LEU A 193 3.390 -8.430 -1.180 1.00 42.21 H new ATOM 0 HD22 LEU A 193 3.428 -6.655 -1.298 1.00 42.21 H new ATOM 0 HD23 LEU A 193 3.910 -7.457 0.216 1.00 42.21 H new ATOM 832 N THR A 194 3.173 -3.991 2.864 1.00 71.25 N ATOM 833 CA THR A 194 3.127 -2.647 3.313 1.00 74.34 C ATOM 834 C THR A 194 3.612 -1.759 2.183 1.00 3.20 C ATOM 835 O THR A 194 4.798 -1.727 1.861 1.00 41.53 O ATOM 836 CB THR A 194 3.996 -2.465 4.583 1.00 64.42 C ATOM 837 OG1 THR A 194 3.539 -3.379 5.607 1.00 65.52 O ATOM 838 CG2 THR A 194 3.904 -1.034 5.110 1.00 61.21 C ATOM 0 H THR A 194 4.097 -4.421 2.901 1.00 71.25 H new ATOM 0 HA THR A 194 2.107 -2.373 3.583 1.00 74.34 H new ATOM 0 HB THR A 194 5.034 -2.673 4.325 1.00 64.42 H new ATOM 0 HG1 THR A 194 4.087 -3.269 6.412 1.00 65.52 H new ATOM 0 HG21 THR A 194 4.523 -0.934 6.001 1.00 61.21 H new ATOM 0 HG22 THR A 194 4.255 -0.341 4.345 1.00 61.21 H new ATOM 0 HG23 THR A 194 2.868 -0.804 5.360 1.00 61.21 H new ATOM 846 N ALA A 195 2.698 -1.089 1.562 1.00 63.13 N ATOM 847 CA ALA A 195 3.011 -0.236 0.466 1.00 1.40 C ATOM 848 C ALA A 195 3.129 1.171 0.964 1.00 12.14 C ATOM 849 O ALA A 195 2.168 1.730 1.504 1.00 34.52 O ATOM 850 CB ALA A 195 1.942 -0.341 -0.614 1.00 1.11 C ATOM 0 H ALA A 195 1.707 -1.119 1.803 1.00 63.13 H new ATOM 0 HA ALA A 195 3.959 -0.542 0.023 1.00 1.40 H new ATOM 0 HB1 ALA A 195 2.197 0.318 -1.444 1.00 1.11 H new ATOM 0 HB2 ALA A 195 1.885 -1.369 -0.971 1.00 1.11 H new ATOM 0 HB3 ALA A 195 0.977 -0.047 -0.201 1.00 1.11 H new ATOM 856 N HIS A 196 4.293 1.730 0.829 1.00 4.22 N ATOM 857 CA HIS A 196 4.512 3.071 1.251 1.00 72.53 C ATOM 858 C HIS A 196 4.171 3.941 0.068 1.00 51.43 C ATOM 859 O HIS A 196 4.880 3.946 -0.945 1.00 61.50 O ATOM 860 CB HIS A 196 5.965 3.276 1.691 1.00 21.42 C ATOM 861 CG HIS A 196 6.188 4.506 2.523 1.00 10.33 C ATOM 862 ND1 HIS A 196 6.788 4.486 3.760 1.00 25.23 N ATOM 863 CD2 HIS A 196 5.880 5.805 2.285 1.00 24.12 C ATOM 864 CE1 HIS A 196 6.817 5.727 4.227 1.00 11.10 C ATOM 865 NE2 HIS A 196 6.283 6.572 3.371 1.00 70.13 N ATOM 0 H HIS A 196 5.109 1.270 0.426 1.00 4.22 H new ATOM 0 HA HIS A 196 3.895 3.323 2.113 1.00 72.53 H new ATOM 0 HB2 HIS A 196 6.288 2.403 2.259 1.00 21.42 H new ATOM 0 HB3 HIS A 196 6.597 3.331 0.805 1.00 21.42 H new ATOM 0 HD2 HIS A 196 5.399 6.182 1.395 1.00 24.12 H new ATOM 0 HE1 HIS A 196 7.226 6.008 5.186 1.00 11.10 H new ATOM 0 HE2 HIS A 196 6.185 7.581 3.482 1.00 70.13 H new ATOM 873 N LEU A 197 3.093 4.612 0.172 1.00 32.43 N ATOM 874 CA LEU A 197 2.563 5.384 -0.894 1.00 62.14 C ATOM 875 C LEU A 197 2.753 6.849 -0.614 1.00 52.01 C ATOM 876 O LEU A 197 2.825 7.273 0.530 1.00 45.45 O ATOM 877 CB LEU A 197 1.075 5.083 -1.041 1.00 10.32 C ATOM 878 CG LEU A 197 0.695 3.616 -1.258 1.00 43.52 C ATOM 879 CD1 LEU A 197 -0.810 3.460 -1.299 1.00 23.33 C ATOM 880 CD2 LEU A 197 1.316 3.082 -2.538 1.00 63.13 C ATOM 0 H LEU A 197 2.533 4.645 1.024 1.00 32.43 H new ATOM 0 HA LEU A 197 3.085 5.129 -1.816 1.00 62.14 H new ATOM 0 HB2 LEU A 197 0.564 5.439 -0.146 1.00 10.32 H new ATOM 0 HB3 LEU A 197 0.690 5.663 -1.880 1.00 10.32 H new ATOM 0 HG LEU A 197 1.083 3.036 -0.421 1.00 43.52 H new ATOM 0 HD11 LEU A 197 -1.063 2.411 -1.454 1.00 23.33 H new ATOM 0 HD12 LEU A 197 -1.237 3.801 -0.356 1.00 23.33 H new ATOM 0 HD13 LEU A 197 -1.215 4.056 -2.117 1.00 23.33 H new ATOM 0 HD21 LEU A 197 1.033 2.038 -2.672 1.00 63.13 H new ATOM 0 HD22 LEU A 197 0.960 3.666 -3.386 1.00 63.13 H new ATOM 0 HD23 LEU A 197 2.402 3.158 -2.475 1.00 63.13 H new ATOM 892 N LEU A 198 2.859 7.591 -1.649 1.00 35.00 N ATOM 893 CA LEU A 198 2.975 9.009 -1.595 1.00 51.13 C ATOM 894 C LEU A 198 1.844 9.543 -2.453 1.00 14.21 C ATOM 895 O LEU A 198 1.772 9.235 -3.645 1.00 61.14 O ATOM 896 CB LEU A 198 4.324 9.426 -2.194 1.00 50.10 C ATOM 897 CG LEU A 198 5.582 8.851 -1.540 1.00 73.10 C ATOM 898 CD1 LEU A 198 6.808 9.210 -2.354 1.00 71.52 C ATOM 899 CD2 LEU A 198 5.733 9.361 -0.117 1.00 64.45 C ATOM 0 H LEU A 198 2.868 7.219 -2.599 1.00 35.00 H new ATOM 0 HA LEU A 198 2.921 9.391 -0.575 1.00 51.13 H new ATOM 0 HB2 LEU A 198 4.330 9.142 -3.246 1.00 50.10 H new ATOM 0 HB3 LEU A 198 4.390 10.513 -2.157 1.00 50.10 H new ATOM 0 HG LEU A 198 5.483 7.766 -1.508 1.00 73.10 H new ATOM 0 HD11 LEU A 198 7.696 8.795 -1.877 1.00 71.52 H new ATOM 0 HD12 LEU A 198 6.710 8.800 -3.359 1.00 71.52 H new ATOM 0 HD13 LEU A 198 6.901 10.294 -2.412 1.00 71.52 H new ATOM 0 HD21 LEU A 198 6.634 8.939 0.327 1.00 64.45 H new ATOM 0 HD22 LEU A 198 5.808 10.448 -0.126 1.00 64.45 H new ATOM 0 HD23 LEU A 198 4.865 9.063 0.471 1.00 64.45 H new ATOM 911 N MET A 199 0.962 10.302 -1.888 1.00 42.23 N ATOM 912 CA MET A 199 -0.186 10.756 -2.643 1.00 23.13 C ATOM 913 C MET A 199 -0.068 12.211 -2.978 1.00 41.21 C ATOM 914 O MET A 199 0.154 13.047 -2.097 1.00 73.22 O ATOM 915 CB MET A 199 -1.490 10.532 -1.873 1.00 40.44 C ATOM 916 CG MET A 199 -1.756 9.096 -1.459 1.00 55.40 C ATOM 917 SD MET A 199 -3.339 8.895 -0.604 1.00 4.51 S ATOM 918 CE MET A 199 -4.500 9.370 -1.886 1.00 3.43 C ATOM 0 H MET A 199 1.002 10.623 -0.921 1.00 42.23 H new ATOM 0 HA MET A 199 -0.209 10.170 -3.562 1.00 23.13 H new ATOM 0 HB2 MET A 199 -1.477 11.155 -0.979 1.00 40.44 H new ATOM 0 HB3 MET A 199 -2.321 10.876 -2.489 1.00 40.44 H new ATOM 0 HG2 MET A 199 -1.742 8.459 -2.343 1.00 55.40 H new ATOM 0 HG3 MET A 199 -0.951 8.755 -0.808 1.00 55.40 H new ATOM 0 HE1 MET A 199 -5.156 10.155 -1.510 1.00 3.43 H new ATOM 0 HE2 MET A 199 -3.953 9.739 -2.754 1.00 3.43 H new ATOM 0 HE3 MET A 199 -5.097 8.505 -2.175 1.00 3.43 H new ATOM 928 N VAL A 200 -0.189 12.508 -4.250 1.00 64.42 N ATOM 929 CA VAL A 200 -0.174 13.867 -4.723 1.00 10.12 C ATOM 930 C VAL A 200 -1.553 14.430 -4.427 1.00 42.54 C ATOM 931 O VAL A 200 -2.562 13.826 -4.815 1.00 52.10 O ATOM 932 CB VAL A 200 0.054 13.941 -6.266 1.00 4.12 C ATOM 933 CG1 VAL A 200 0.220 15.377 -6.724 1.00 42.10 C ATOM 934 CG2 VAL A 200 1.239 13.101 -6.713 1.00 32.40 C ATOM 0 H VAL A 200 -0.301 11.811 -4.986 1.00 64.42 H new ATOM 0 HA VAL A 200 0.633 14.417 -4.238 1.00 10.12 H new ATOM 0 HB VAL A 200 -0.837 13.525 -6.736 1.00 4.12 H new ATOM 0 HG11 VAL A 200 0.377 15.399 -7.802 1.00 42.10 H new ATOM 0 HG12 VAL A 200 -0.677 15.944 -6.477 1.00 42.10 H new ATOM 0 HG13 VAL A 200 1.080 15.822 -6.223 1.00 42.10 H new ATOM 0 HG21 VAL A 200 1.357 13.185 -7.793 1.00 32.40 H new ATOM 0 HG22 VAL A 200 2.144 13.457 -6.220 1.00 32.40 H new ATOM 0 HG23 VAL A 200 1.067 12.058 -6.446 1.00 32.40 H new ATOM 944 N GLY A 201 -1.619 15.520 -3.714 1.00 31.45 N ATOM 945 CA GLY A 201 -2.904 16.090 -3.395 1.00 40.42 C ATOM 946 C GLY A 201 -3.542 15.459 -2.174 1.00 3.32 C ATOM 947 O GLY A 201 -3.655 16.116 -1.137 1.00 53.54 O ATOM 0 H GLY A 201 -0.814 16.027 -3.346 1.00 31.45 H new ATOM 0 HA2 GLY A 201 -2.789 17.161 -3.226 1.00 40.42 H new ATOM 0 HA3 GLY A 201 -3.571 15.972 -4.249 1.00 40.42 H new ATOM 951 N HIS A 202 -3.922 14.175 -2.308 1.00 31.12 N ATOM 952 CA HIS A 202 -4.596 13.389 -1.277 1.00 31.42 C ATOM 953 C HIS A 202 -6.095 13.620 -1.294 1.00 72.14 C ATOM 954 O HIS A 202 -6.614 14.592 -0.753 1.00 31.02 O ATOM 955 CB HIS A 202 -3.968 13.525 0.150 1.00 70.31 C ATOM 956 CG HIS A 202 -4.763 12.891 1.277 1.00 32.11 C ATOM 957 ND1 HIS A 202 -5.353 13.616 2.291 1.00 53.13 N ATOM 958 CD2 HIS A 202 -5.038 11.589 1.551 1.00 2.10 C ATOM 959 CE1 HIS A 202 -5.948 12.765 3.125 1.00 41.12 C ATOM 960 NE2 HIS A 202 -5.787 11.520 2.720 1.00 51.34 N ATOM 0 H HIS A 202 -3.760 13.647 -3.165 1.00 31.12 H new ATOM 0 HA HIS A 202 -4.427 12.345 -1.539 1.00 31.42 H new ATOM 0 HB2 HIS A 202 -2.974 13.079 0.134 1.00 70.31 H new ATOM 0 HB3 HIS A 202 -3.838 14.584 0.371 1.00 70.31 H new ATOM 0 HD2 HIS A 202 -4.725 10.744 0.956 1.00 2.10 H new ATOM 0 HE1 HIS A 202 -6.489 13.055 4.013 1.00 41.12 H new ATOM 0 HE2 HIS A 202 -6.141 10.677 3.173 1.00 51.34 H new ATOM 968 N THR A 203 -6.761 12.745 -1.974 1.00 41.05 N ATOM 969 CA THR A 203 -8.163 12.702 -2.040 1.00 73.31 C ATOM 970 C THR A 203 -8.626 11.411 -1.330 1.00 50.25 C ATOM 971 O THR A 203 -8.578 10.318 -1.910 1.00 73.53 O ATOM 972 CB THR A 203 -8.636 12.728 -3.505 1.00 71.14 C ATOM 973 OG1 THR A 203 -8.025 13.844 -4.164 1.00 32.04 O ATOM 974 CG2 THR A 203 -10.150 12.869 -3.592 1.00 33.31 C ATOM 0 H THR A 203 -6.309 12.011 -2.520 1.00 41.05 H new ATOM 0 HA THR A 203 -8.596 13.573 -1.548 1.00 73.31 H new ATOM 0 HB THR A 203 -8.350 11.790 -3.982 1.00 71.14 H new ATOM 0 HG1 THR A 203 -8.317 13.871 -5.099 1.00 32.04 H new ATOM 0 HG21 THR A 203 -10.454 12.884 -4.639 1.00 33.31 H new ATOM 0 HG22 THR A 203 -10.623 12.026 -3.089 1.00 33.31 H new ATOM 0 HG23 THR A 203 -10.457 13.798 -3.111 1.00 33.31 H new ATOM 982 N PRO A 204 -8.965 11.535 -0.032 1.00 54.23 N ATOM 983 CA PRO A 204 -9.404 10.433 0.850 1.00 33.42 C ATOM 984 C PRO A 204 -10.383 9.463 0.208 1.00 15.01 C ATOM 985 O PRO A 204 -10.256 8.256 0.369 1.00 43.20 O ATOM 986 CB PRO A 204 -10.065 11.162 2.009 1.00 0.22 C ATOM 987 CG PRO A 204 -9.329 12.448 2.105 1.00 42.44 C ATOM 988 CD PRO A 204 -8.883 12.798 0.708 1.00 45.44 C ATOM 0 HA PRO A 204 -8.561 9.800 1.127 1.00 33.42 H new ATOM 0 HB2 PRO A 204 -11.126 11.325 1.822 1.00 0.22 H new ATOM 0 HB3 PRO A 204 -9.988 10.590 2.934 1.00 0.22 H new ATOM 0 HG2 PRO A 204 -9.968 13.230 2.514 1.00 42.44 H new ATOM 0 HG3 PRO A 204 -8.472 12.355 2.773 1.00 42.44 H new ATOM 0 HD2 PRO A 204 -9.525 13.559 0.266 1.00 45.44 H new ATOM 0 HD3 PRO A 204 -7.868 13.195 0.703 1.00 45.44 H new ATOM 996 N ALA A 205 -11.321 9.995 -0.540 1.00 74.23 N ATOM 997 CA ALA A 205 -12.341 9.190 -1.216 1.00 5.42 C ATOM 998 C ALA A 205 -11.725 8.186 -2.195 1.00 60.25 C ATOM 999 O ALA A 205 -12.255 7.099 -2.406 1.00 3.10 O ATOM 1000 CB ALA A 205 -13.352 10.079 -1.922 1.00 24.03 C ATOM 0 H ALA A 205 -11.408 10.998 -0.704 1.00 74.23 H new ATOM 0 HA ALA A 205 -12.860 8.617 -0.448 1.00 5.42 H new ATOM 0 HB1 ALA A 205 -14.099 9.459 -2.417 1.00 24.03 H new ATOM 0 HB2 ALA A 205 -13.841 10.724 -1.192 1.00 24.03 H new ATOM 0 HB3 ALA A 205 -12.841 10.693 -2.664 1.00 24.03 H new ATOM 1006 N LYS A 206 -10.602 8.539 -2.777 1.00 51.54 N ATOM 1007 CA LYS A 206 -9.939 7.652 -3.694 1.00 74.25 C ATOM 1008 C LYS A 206 -9.175 6.596 -2.915 1.00 1.32 C ATOM 1009 O LYS A 206 -9.228 5.422 -3.237 1.00 61.34 O ATOM 1010 CB LYS A 206 -9.030 8.424 -4.670 1.00 34.11 C ATOM 1011 CG LYS A 206 -9.780 9.505 -5.451 1.00 64.41 C ATOM 1012 CD LYS A 206 -8.899 10.247 -6.462 1.00 63.20 C ATOM 1013 CE LYS A 206 -8.470 9.353 -7.618 1.00 20.44 C ATOM 1014 NZ LYS A 206 -7.769 10.111 -8.677 1.00 13.41 N ATOM 0 H LYS A 206 -10.132 9.432 -2.630 1.00 51.54 H new ATOM 0 HA LYS A 206 -10.688 7.151 -4.307 1.00 74.25 H new ATOM 0 HB2 LYS A 206 -8.215 8.885 -4.112 1.00 34.11 H new ATOM 0 HB3 LYS A 206 -8.579 7.722 -5.372 1.00 34.11 H new ATOM 0 HG2 LYS A 206 -10.618 9.047 -5.977 1.00 64.41 H new ATOM 0 HG3 LYS A 206 -10.200 10.225 -4.749 1.00 64.41 H new ATOM 0 HD2 LYS A 206 -9.443 11.107 -6.853 1.00 63.20 H new ATOM 0 HD3 LYS A 206 -8.014 10.633 -5.956 1.00 63.20 H new ATOM 0 HE2 LYS A 206 -7.816 8.565 -7.243 1.00 20.44 H new ATOM 0 HE3 LYS A 206 -9.347 8.864 -8.043 1.00 20.44 H new ATOM 0 HZ1 LYS A 206 -7.780 9.563 -9.561 1.00 13.41 H new ATOM 0 HZ2 LYS A 206 -8.249 11.021 -8.828 1.00 13.41 H new ATOM 0 HZ3 LYS A 206 -6.785 10.282 -8.388 1.00 13.41 H new ATOM 1028 N LEU A 207 -8.543 7.016 -1.838 1.00 62.24 N ATOM 1029 CA LEU A 207 -7.756 6.114 -1.008 1.00 31.25 C ATOM 1030 C LEU A 207 -8.670 5.093 -0.322 1.00 65.43 C ATOM 1031 O LEU A 207 -8.368 3.902 -0.275 1.00 0.41 O ATOM 1032 CB LEU A 207 -6.951 6.906 0.030 1.00 73.32 C ATOM 1033 CG LEU A 207 -6.031 6.093 0.954 1.00 75.21 C ATOM 1034 CD1 LEU A 207 -4.965 5.350 0.152 1.00 53.44 C ATOM 1035 CD2 LEU A 207 -5.383 7.002 1.981 1.00 63.43 C ATOM 0 H LEU A 207 -8.557 7.982 -1.512 1.00 62.24 H new ATOM 0 HA LEU A 207 -7.054 5.575 -1.644 1.00 31.25 H new ATOM 0 HB2 LEU A 207 -6.341 7.639 -0.499 1.00 73.32 H new ATOM 0 HB3 LEU A 207 -7.652 7.463 0.652 1.00 73.32 H new ATOM 0 HG LEU A 207 -6.639 5.352 1.473 1.00 75.21 H new ATOM 0 HD11 LEU A 207 -4.328 4.783 0.831 1.00 53.44 H new ATOM 0 HD12 LEU A 207 -5.446 4.668 -0.549 1.00 53.44 H new ATOM 0 HD13 LEU A 207 -4.358 6.068 -0.400 1.00 53.44 H new ATOM 0 HD21 LEU A 207 -4.734 6.414 2.629 1.00 63.43 H new ATOM 0 HD22 LEU A 207 -4.793 7.764 1.472 1.00 63.43 H new ATOM 0 HD23 LEU A 207 -6.156 7.482 2.581 1.00 63.43 H new ATOM 1047 N GLU A 208 -9.813 5.571 0.143 1.00 75.43 N ATOM 1048 CA GLU A 208 -10.814 4.752 0.818 1.00 42.04 C ATOM 1049 C GLU A 208 -11.382 3.709 -0.147 1.00 14.12 C ATOM 1050 O GLU A 208 -11.792 2.620 0.252 1.00 50.15 O ATOM 1051 CB GLU A 208 -11.920 5.656 1.380 1.00 44.54 C ATOM 1052 CG GLU A 208 -12.981 4.965 2.226 1.00 31.20 C ATOM 1053 CD GLU A 208 -12.431 4.342 3.487 1.00 32.44 C ATOM 1054 OE1 GLU A 208 -11.801 5.062 4.292 1.00 61.40 O ATOM 1055 OE2 GLU A 208 -12.692 3.131 3.739 1.00 43.34 O ATOM 0 H GLU A 208 -10.078 6.553 0.062 1.00 75.43 H new ATOM 0 HA GLU A 208 -10.351 4.217 1.648 1.00 42.04 H new ATOM 0 HB2 GLU A 208 -11.454 6.435 1.983 1.00 44.54 H new ATOM 0 HB3 GLU A 208 -12.415 6.152 0.545 1.00 44.54 H new ATOM 0 HG2 GLU A 208 -13.750 5.689 2.493 1.00 31.20 H new ATOM 0 HG3 GLU A 208 -13.465 4.192 1.629 1.00 31.20 H new ATOM 1062 N ARG A 209 -11.400 4.047 -1.413 1.00 43.44 N ATOM 1063 CA ARG A 209 -11.830 3.125 -2.427 1.00 22.44 C ATOM 1064 C ARG A 209 -10.780 2.053 -2.630 1.00 45.11 C ATOM 1065 O ARG A 209 -11.088 0.858 -2.642 1.00 53.23 O ATOM 1066 CB ARG A 209 -12.113 3.844 -3.739 1.00 3.14 C ATOM 1067 CG ARG A 209 -12.412 2.907 -4.888 1.00 12.32 C ATOM 1068 CD ARG A 209 -12.518 3.645 -6.197 1.00 23.23 C ATOM 1069 NE ARG A 209 -12.644 2.716 -7.321 1.00 31.02 N ATOM 1070 CZ ARG A 209 -12.985 3.056 -8.562 1.00 3.04 C ATOM 1071 NH1 ARG A 209 -13.194 4.329 -8.870 1.00 24.25 N ATOM 1072 NH2 ARG A 209 -13.104 2.120 -9.494 1.00 34.10 N ATOM 0 H ARG A 209 -11.119 4.962 -1.764 1.00 43.44 H new ATOM 0 HA ARG A 209 -12.757 2.658 -2.094 1.00 22.44 H new ATOM 0 HB2 ARG A 209 -12.959 4.517 -3.600 1.00 3.14 H new ATOM 0 HB3 ARG A 209 -11.253 4.462 -3.999 1.00 3.14 H new ATOM 0 HG2 ARG A 209 -11.627 2.154 -4.957 1.00 12.32 H new ATOM 0 HG3 ARG A 209 -13.344 2.378 -4.692 1.00 12.32 H new ATOM 0 HD2 ARG A 209 -13.381 4.310 -6.173 1.00 23.23 H new ATOM 0 HD3 ARG A 209 -11.637 4.271 -6.337 1.00 23.23 H new ATOM 0 HE ARG A 209 -12.456 1.730 -7.139 1.00 31.02 H new ATOM 0 HH11 ARG A 209 -13.093 5.050 -8.155 1.00 24.25 H new ATOM 0 HH12 ARG A 209 -13.455 4.587 -9.822 1.00 24.25 H new ATOM 0 HH21 ARG A 209 -12.934 1.142 -9.259 1.00 34.10 H new ATOM 0 HH22 ARG A 209 -13.365 2.378 -10.446 1.00 34.10 H new ATOM 1086 N LEU A 210 -9.544 2.479 -2.746 1.00 52.21 N ATOM 1087 CA LEU A 210 -8.445 1.559 -2.986 1.00 54.42 C ATOM 1088 C LEU A 210 -8.263 0.588 -1.852 1.00 24.51 C ATOM 1089 O LEU A 210 -8.102 -0.604 -2.084 1.00 23.35 O ATOM 1090 CB LEU A 210 -7.128 2.274 -3.323 1.00 53.02 C ATOM 1091 CG LEU A 210 -6.909 2.656 -4.798 1.00 51.42 C ATOM 1092 CD1 LEU A 210 -7.996 3.562 -5.324 1.00 12.44 C ATOM 1093 CD2 LEU A 210 -5.552 3.296 -4.979 1.00 65.41 C ATOM 0 H LEU A 210 -9.269 3.459 -2.679 1.00 52.21 H new ATOM 0 HA LEU A 210 -8.726 0.987 -3.870 1.00 54.42 H new ATOM 0 HB2 LEU A 210 -7.071 3.183 -2.724 1.00 53.02 H new ATOM 0 HB3 LEU A 210 -6.303 1.634 -3.011 1.00 53.02 H new ATOM 0 HG LEU A 210 -6.951 1.735 -5.380 1.00 51.42 H new ATOM 0 HD11 LEU A 210 -7.796 3.802 -6.368 1.00 12.44 H new ATOM 0 HD12 LEU A 210 -8.959 3.058 -5.246 1.00 12.44 H new ATOM 0 HD13 LEU A 210 -8.019 4.481 -4.738 1.00 12.44 H new ATOM 0 HD21 LEU A 210 -5.411 3.561 -6.027 1.00 65.41 H new ATOM 0 HD22 LEU A 210 -5.489 4.195 -4.366 1.00 65.41 H new ATOM 0 HD23 LEU A 210 -4.775 2.594 -4.675 1.00 65.41 H new ATOM 1105 N VAL A 211 -8.374 1.068 -0.628 1.00 60.44 N ATOM 1106 CA VAL A 211 -8.185 0.196 0.509 1.00 5.25 C ATOM 1107 C VAL A 211 -9.349 -0.769 0.643 1.00 31.43 C ATOM 1108 O VAL A 211 -9.200 -1.871 1.170 1.00 3.44 O ATOM 1109 CB VAL A 211 -7.908 0.944 1.849 1.00 50.33 C ATOM 1110 CG1 VAL A 211 -6.628 1.759 1.751 1.00 31.22 C ATOM 1111 CG2 VAL A 211 -9.071 1.831 2.250 1.00 2.02 C ATOM 0 H VAL A 211 -8.590 2.039 -0.400 1.00 60.44 H new ATOM 0 HA VAL A 211 -7.275 -0.369 0.306 1.00 5.25 H new ATOM 0 HB VAL A 211 -7.787 0.189 2.626 1.00 50.33 H new ATOM 0 HG11 VAL A 211 -6.451 2.274 2.695 1.00 31.22 H new ATOM 0 HG12 VAL A 211 -5.790 1.096 1.537 1.00 31.22 H new ATOM 0 HG13 VAL A 211 -6.724 2.492 0.950 1.00 31.22 H new ATOM 0 HG21 VAL A 211 -8.838 2.334 3.188 1.00 2.02 H new ATOM 0 HG22 VAL A 211 -9.246 2.575 1.473 1.00 2.02 H new ATOM 0 HG23 VAL A 211 -9.966 1.222 2.377 1.00 2.02 H new ATOM 1121 N ALA A 212 -10.495 -0.376 0.108 1.00 72.34 N ATOM 1122 CA ALA A 212 -11.650 -1.214 0.126 1.00 11.23 C ATOM 1123 C ALA A 212 -11.499 -2.329 -0.877 1.00 70.02 C ATOM 1124 O ALA A 212 -11.717 -3.476 -0.543 1.00 55.21 O ATOM 1125 CB ALA A 212 -12.925 -0.426 -0.113 1.00 61.30 C ATOM 0 H ALA A 212 -10.635 0.528 -0.344 1.00 72.34 H new ATOM 0 HA ALA A 212 -11.733 -1.651 1.121 1.00 11.23 H new ATOM 0 HB1 ALA A 212 -13.780 -1.102 -0.091 1.00 61.30 H new ATOM 0 HB2 ALA A 212 -13.038 0.328 0.666 1.00 61.30 H new ATOM 0 HB3 ALA A 212 -12.874 0.063 -1.086 1.00 61.30 H new ATOM 1131 N GLU A 213 -11.074 -1.993 -2.082 1.00 24.23 N ATOM 1132 CA GLU A 213 -10.892 -2.983 -3.134 1.00 43.23 C ATOM 1133 C GLU A 213 -9.771 -3.930 -2.811 1.00 63.12 C ATOM 1134 O GLU A 213 -9.894 -5.117 -3.030 1.00 1.12 O ATOM 1135 CB GLU A 213 -10.689 -2.340 -4.511 1.00 14.24 C ATOM 1136 CG GLU A 213 -11.899 -1.582 -5.029 1.00 12.12 C ATOM 1137 CD GLU A 213 -11.690 -1.021 -6.417 1.00 1.20 C ATOM 1138 OE1 GLU A 213 -11.484 -1.802 -7.361 1.00 44.04 O ATOM 1139 OE2 GLU A 213 -11.795 0.213 -6.608 1.00 64.25 O ATOM 0 H GLU A 213 -10.847 -1.038 -2.359 1.00 24.23 H new ATOM 0 HA GLU A 213 -11.816 -3.559 -3.182 1.00 43.23 H new ATOM 0 HB2 GLU A 213 -9.841 -1.657 -4.459 1.00 14.24 H new ATOM 0 HB3 GLU A 213 -10.428 -3.118 -5.228 1.00 14.24 H new ATOM 0 HG2 GLU A 213 -12.762 -2.247 -5.037 1.00 12.12 H new ATOM 0 HG3 GLU A 213 -12.132 -0.767 -4.344 1.00 12.12 H new ATOM 1146 N LEU A 214 -8.713 -3.419 -2.233 1.00 41.02 N ATOM 1147 CA LEU A 214 -7.582 -4.255 -1.892 1.00 14.43 C ATOM 1148 C LEU A 214 -7.928 -5.222 -0.785 1.00 41.20 C ATOM 1149 O LEU A 214 -7.439 -6.326 -0.767 1.00 54.20 O ATOM 1150 CB LEU A 214 -6.347 -3.428 -1.533 1.00 23.23 C ATOM 1151 CG LEU A 214 -5.782 -2.529 -2.641 1.00 51.42 C ATOM 1152 CD1 LEU A 214 -4.620 -1.708 -2.113 1.00 24.33 C ATOM 1153 CD2 LEU A 214 -5.356 -3.354 -3.852 1.00 44.24 C ATOM 0 H LEU A 214 -8.608 -2.434 -1.989 1.00 41.02 H new ATOM 0 HA LEU A 214 -7.336 -4.836 -2.781 1.00 14.43 H new ATOM 0 HB2 LEU A 214 -6.593 -2.801 -0.676 1.00 23.23 H new ATOM 0 HB3 LEU A 214 -5.560 -4.111 -1.212 1.00 23.23 H new ATOM 0 HG LEU A 214 -6.570 -1.848 -2.963 1.00 51.42 H new ATOM 0 HD11 LEU A 214 -4.230 -1.075 -2.910 1.00 24.33 H new ATOM 0 HD12 LEU A 214 -4.961 -1.083 -1.288 1.00 24.33 H new ATOM 0 HD13 LEU A 214 -3.833 -2.375 -1.761 1.00 24.33 H new ATOM 0 HD21 LEU A 214 -4.959 -2.692 -4.622 1.00 44.24 H new ATOM 0 HD22 LEU A 214 -4.587 -4.066 -3.554 1.00 44.24 H new ATOM 0 HD23 LEU A 214 -6.217 -3.894 -4.246 1.00 44.24 H new ATOM 1165 N SER A 215 -8.790 -4.818 0.121 1.00 75.12 N ATOM 1166 CA SER A 215 -9.174 -5.706 1.172 1.00 41.44 C ATOM 1167 C SER A 215 -10.341 -6.604 0.731 1.00 63.41 C ATOM 1168 O SER A 215 -10.641 -7.629 1.363 1.00 41.14 O ATOM 1169 CB SER A 215 -9.507 -4.933 2.439 1.00 20.41 C ATOM 1170 OG SER A 215 -10.502 -3.946 2.198 1.00 22.55 O ATOM 0 H SER A 215 -9.226 -3.896 0.145 1.00 75.12 H new ATOM 0 HA SER A 215 -8.329 -6.356 1.398 1.00 41.44 H new ATOM 0 HB2 SER A 215 -9.856 -5.623 3.207 1.00 20.41 H new ATOM 0 HB3 SER A 215 -8.605 -4.457 2.824 1.00 20.41 H new ATOM 0 HG SER A 215 -10.073 -3.075 2.063 1.00 22.55 H new ATOM 1176 N LEU A 216 -10.997 -6.194 -0.340 1.00 13.45 N ATOM 1177 CA LEU A 216 -12.124 -6.900 -0.914 1.00 60.04 C ATOM 1178 C LEU A 216 -11.648 -8.153 -1.633 1.00 44.20 C ATOM 1179 O LEU A 216 -12.393 -9.129 -1.757 1.00 25.44 O ATOM 1180 CB LEU A 216 -12.849 -5.984 -1.910 1.00 72.12 C ATOM 1181 CG LEU A 216 -14.160 -6.489 -2.498 1.00 22.53 C ATOM 1182 CD1 LEU A 216 -15.228 -6.575 -1.423 1.00 11.22 C ATOM 1183 CD2 LEU A 216 -14.613 -5.594 -3.639 1.00 51.23 C ATOM 0 H LEU A 216 -10.754 -5.342 -0.845 1.00 13.45 H new ATOM 0 HA LEU A 216 -12.806 -7.187 -0.114 1.00 60.04 H new ATOM 0 HB2 LEU A 216 -13.046 -5.034 -1.413 1.00 72.12 H new ATOM 0 HB3 LEU A 216 -12.167 -5.776 -2.735 1.00 72.12 H new ATOM 0 HG LEU A 216 -13.997 -7.491 -2.896 1.00 22.53 H new ATOM 0 HD11 LEU A 216 -16.158 -6.938 -1.862 1.00 11.22 H new ATOM 0 HD12 LEU A 216 -14.903 -7.262 -0.642 1.00 11.22 H new ATOM 0 HD13 LEU A 216 -15.391 -5.587 -0.992 1.00 11.22 H new ATOM 0 HD21 LEU A 216 -15.551 -5.971 -4.046 1.00 51.23 H new ATOM 0 HD22 LEU A 216 -14.759 -4.579 -3.269 1.00 51.23 H new ATOM 0 HD23 LEU A 216 -13.854 -5.589 -4.421 1.00 51.23 H new ATOM 1195 N GLN A 217 -10.412 -8.114 -2.105 1.00 22.24 N ATOM 1196 CA GLN A 217 -9.832 -9.231 -2.833 1.00 33.45 C ATOM 1197 C GLN A 217 -9.730 -10.477 -1.929 1.00 34.44 C ATOM 1198 O GLN A 217 -9.269 -10.389 -0.776 1.00 51.41 O ATOM 1199 CB GLN A 217 -8.479 -8.838 -3.451 1.00 53.23 C ATOM 1200 CG GLN A 217 -8.587 -7.563 -4.282 1.00 63.31 C ATOM 1201 CD GLN A 217 -7.368 -7.223 -5.104 1.00 53.40 C ATOM 1202 OE1 GLN A 217 -6.237 -7.560 -4.769 1.00 62.10 O ATOM 1203 NE2 GLN A 217 -7.582 -6.512 -6.182 1.00 2.24 N ATOM 0 H GLN A 217 -9.788 -7.315 -1.996 1.00 22.24 H new ATOM 0 HA GLN A 217 -10.492 -9.492 -3.660 1.00 33.45 H new ATOM 0 HB2 GLN A 217 -7.745 -8.695 -2.658 1.00 53.23 H new ATOM 0 HB3 GLN A 217 -8.116 -9.652 -4.079 1.00 53.23 H new ATOM 0 HG2 GLN A 217 -9.442 -7.657 -4.952 1.00 63.31 H new ATOM 0 HG3 GLN A 217 -8.797 -6.729 -3.612 1.00 63.31 H new ATOM 0 HE21 GLN A 217 -8.533 -6.246 -6.437 1.00 2.24 H new ATOM 0 HE22 GLN A 217 -6.798 -6.224 -6.767 1.00 2.24 H new ATOM 1212 N PRO A 218 -10.198 -11.638 -2.434 1.00 4.30 N ATOM 1213 CA PRO A 218 -10.278 -12.881 -1.664 1.00 22.45 C ATOM 1214 C PRO A 218 -8.929 -13.382 -1.160 1.00 14.55 C ATOM 1215 O PRO A 218 -8.078 -13.847 -1.926 1.00 52.44 O ATOM 1216 CB PRO A 218 -10.905 -13.892 -2.636 1.00 44.20 C ATOM 1217 CG PRO A 218 -10.668 -13.316 -3.990 1.00 72.41 C ATOM 1218 CD PRO A 218 -10.680 -11.826 -3.815 1.00 54.52 C ATOM 0 HA PRO A 218 -10.861 -12.730 -0.755 1.00 22.45 H new ATOM 0 HB2 PRO A 218 -10.443 -14.874 -2.538 1.00 44.20 H new ATOM 0 HB3 PRO A 218 -11.970 -14.020 -2.441 1.00 44.20 H new ATOM 0 HG2 PRO A 218 -9.714 -13.653 -4.396 1.00 72.41 H new ATOM 0 HG3 PRO A 218 -11.442 -13.633 -4.689 1.00 72.41 H new ATOM 0 HD2 PRO A 218 -10.031 -11.332 -4.538 1.00 54.52 H new ATOM 0 HD3 PRO A 218 -11.680 -11.414 -3.951 1.00 54.52 H new ATOM 1226 N GLY A 219 -8.742 -13.259 0.117 1.00 21.32 N ATOM 1227 CA GLY A 219 -7.529 -13.733 0.736 1.00 5.34 C ATOM 1228 C GLY A 219 -6.968 -12.739 1.713 1.00 3.24 C ATOM 1229 O GLY A 219 -6.043 -13.051 2.478 1.00 21.44 O ATOM 0 H GLY A 219 -9.412 -12.834 0.758 1.00 21.32 H new ATOM 0 HA2 GLY A 219 -7.728 -14.673 1.250 1.00 5.34 H new ATOM 0 HA3 GLY A 219 -6.787 -13.942 -0.035 1.00 5.34 H new ATOM 1233 N VAL A 220 -7.487 -11.536 1.678 1.00 12.10 N ATOM 1234 CA VAL A 220 -7.051 -10.506 2.577 1.00 21.31 C ATOM 1235 C VAL A 220 -7.711 -10.645 3.946 1.00 1.44 C ATOM 1236 O VAL A 220 -8.924 -10.837 4.053 1.00 62.00 O ATOM 1237 CB VAL A 220 -7.331 -9.103 1.993 1.00 33.13 C ATOM 1238 CG1 VAL A 220 -6.900 -8.016 2.966 1.00 32.13 C ATOM 1239 CG2 VAL A 220 -6.620 -8.945 0.660 1.00 12.24 C ATOM 0 H VAL A 220 -8.219 -11.248 1.028 1.00 12.10 H new ATOM 0 HA VAL A 220 -5.975 -10.622 2.703 1.00 21.31 H new ATOM 0 HB VAL A 220 -8.404 -9.000 1.832 1.00 33.13 H new ATOM 0 HG11 VAL A 220 -7.107 -7.037 2.533 1.00 32.13 H new ATOM 0 HG12 VAL A 220 -7.452 -8.124 3.900 1.00 32.13 H new ATOM 0 HG13 VAL A 220 -5.832 -8.107 3.163 1.00 32.13 H new ATOM 0 HG21 VAL A 220 -6.822 -7.954 0.255 1.00 12.24 H new ATOM 0 HG22 VAL A 220 -5.546 -9.066 0.804 1.00 12.24 H new ATOM 0 HG23 VAL A 220 -6.980 -9.702 -0.037 1.00 12.24 H new ATOM 1249 N TYR A 221 -6.904 -10.566 4.975 1.00 74.12 N ATOM 1250 CA TYR A 221 -7.381 -10.590 6.340 1.00 24.12 C ATOM 1251 C TYR A 221 -7.902 -9.211 6.670 1.00 22.44 C ATOM 1252 O TYR A 221 -9.057 -9.031 7.067 1.00 41.11 O ATOM 1253 CB TYR A 221 -6.235 -10.923 7.323 1.00 34.10 C ATOM 1254 CG TYR A 221 -5.690 -12.339 7.280 1.00 61.23 C ATOM 1255 CD1 TYR A 221 -5.189 -12.891 6.113 1.00 62.33 C ATOM 1256 CD2 TYR A 221 -5.648 -13.109 8.436 1.00 35.22 C ATOM 1257 CE1 TYR A 221 -4.669 -14.164 6.093 1.00 75.33 C ATOM 1258 CE2 TYR A 221 -5.133 -14.385 8.424 1.00 12.44 C ATOM 1259 CZ TYR A 221 -4.645 -14.908 7.252 1.00 14.21 C ATOM 1260 OH TYR A 221 -4.113 -16.167 7.237 1.00 44.11 O ATOM 0 H TYR A 221 -5.891 -10.483 4.891 1.00 74.12 H new ATOM 0 HA TYR A 221 -8.155 -11.351 6.436 1.00 24.12 H new ATOM 0 HB2 TYR A 221 -5.411 -10.235 7.131 1.00 34.10 H new ATOM 0 HB3 TYR A 221 -6.587 -10.724 8.335 1.00 34.10 H new ATOM 0 HD1 TYR A 221 -5.207 -12.311 5.202 1.00 62.33 H new ATOM 0 HD2 TYR A 221 -6.026 -12.699 9.361 1.00 35.22 H new ATOM 0 HE1 TYR A 221 -4.282 -14.578 5.174 1.00 75.33 H new ATOM 0 HE2 TYR A 221 -5.113 -14.971 9.331 1.00 12.44 H new ATOM 0 HH TYR A 221 -4.171 -16.557 8.134 1.00 44.11 H new ATOM 1270 N ALA A 222 -7.048 -8.229 6.443 1.00 61.14 N ATOM 1271 CA ALA A 222 -7.348 -6.848 6.782 1.00 54.23 C ATOM 1272 C ALA A 222 -6.359 -5.918 6.126 1.00 53.14 C ATOM 1273 O ALA A 222 -5.277 -6.351 5.702 1.00 72.02 O ATOM 1274 CB ALA A 222 -7.278 -6.653 8.292 1.00 2.12 C ATOM 0 H ALA A 222 -6.130 -8.365 6.020 1.00 61.14 H new ATOM 0 HA ALA A 222 -8.353 -6.621 6.425 1.00 54.23 H new ATOM 0 HB1 ALA A 222 -7.504 -5.615 8.536 1.00 2.12 H new ATOM 0 HB2 ALA A 222 -8.003 -7.306 8.777 1.00 2.12 H new ATOM 0 HB3 ALA A 222 -6.276 -6.898 8.644 1.00 2.12 H new ATOM 1280 N VAL A 223 -6.721 -4.660 6.036 1.00 71.20 N ATOM 1281 CA VAL A 223 -5.842 -3.644 5.529 1.00 25.45 C ATOM 1282 C VAL A 223 -5.814 -2.484 6.529 1.00 51.21 C ATOM 1283 O VAL A 223 -6.856 -2.073 7.054 1.00 4.53 O ATOM 1284 CB VAL A 223 -6.250 -3.147 4.093 1.00 71.41 C ATOM 1285 CG1 VAL A 223 -7.595 -2.438 4.083 1.00 63.24 C ATOM 1286 CG2 VAL A 223 -5.173 -2.260 3.490 1.00 1.14 C ATOM 0 H VAL A 223 -7.639 -4.315 6.315 1.00 71.20 H new ATOM 0 HA VAL A 223 -4.845 -4.071 5.420 1.00 25.45 H new ATOM 0 HB VAL A 223 -6.351 -4.039 3.474 1.00 71.41 H new ATOM 0 HG11 VAL A 223 -7.829 -2.115 3.068 1.00 63.24 H new ATOM 0 HG12 VAL A 223 -8.369 -3.121 4.434 1.00 63.24 H new ATOM 0 HG13 VAL A 223 -7.553 -1.569 4.739 1.00 63.24 H new ATOM 0 HG21 VAL A 223 -5.484 -1.933 2.498 1.00 1.14 H new ATOM 0 HG22 VAL A 223 -5.019 -1.389 4.128 1.00 1.14 H new ATOM 0 HG23 VAL A 223 -4.242 -2.821 3.411 1.00 1.14 H new ATOM 1296 N HIS A 224 -4.648 -2.016 6.833 1.00 2.31 N ATOM 1297 CA HIS A 224 -4.477 -0.924 7.765 1.00 51.12 C ATOM 1298 C HIS A 224 -3.577 0.101 7.129 1.00 22.45 C ATOM 1299 O HIS A 224 -2.563 -0.259 6.547 1.00 51.44 O ATOM 1300 CB HIS A 224 -3.847 -1.445 9.085 1.00 4.35 C ATOM 1301 CG HIS A 224 -3.593 -0.386 10.140 1.00 32.31 C ATOM 1302 ND1 HIS A 224 -2.345 0.139 10.431 1.00 63.33 N ATOM 1303 CD2 HIS A 224 -4.455 0.227 10.986 1.00 51.21 C ATOM 1304 CE1 HIS A 224 -2.484 1.025 11.412 1.00 23.13 C ATOM 1305 NE2 HIS A 224 -3.749 1.123 11.792 1.00 62.14 N ATOM 0 H HIS A 224 -3.775 -2.375 6.445 1.00 2.31 H new ATOM 0 HA HIS A 224 -5.443 -0.477 8.002 1.00 51.12 H new ATOM 0 HB2 HIS A 224 -4.504 -2.206 9.507 1.00 4.35 H new ATOM 0 HB3 HIS A 224 -2.902 -1.935 8.850 1.00 4.35 H new ATOM 0 HD2 HIS A 224 -5.520 0.051 11.030 1.00 51.21 H new ATOM 0 HE1 HIS A 224 -1.671 1.591 11.843 1.00 23.13 H new ATOM 0 HE2 HIS A 224 -4.128 1.727 12.521 1.00 62.14 H new ATOM 1313 N TRP A 225 -3.937 1.345 7.191 1.00 14.20 N ATOM 1314 CA TRP A 225 -3.067 2.353 6.662 1.00 44.54 C ATOM 1315 C TRP A 225 -2.750 3.378 7.689 1.00 21.43 C ATOM 1316 O TRP A 225 -3.560 3.657 8.579 1.00 33.34 O ATOM 1317 CB TRP A 225 -3.557 2.977 5.353 1.00 40.32 C ATOM 1318 CG TRP A 225 -4.873 3.690 5.387 1.00 45.13 C ATOM 1319 CD1 TRP A 225 -6.114 3.139 5.273 1.00 3.30 C ATOM 1320 CD2 TRP A 225 -5.071 5.108 5.496 1.00 75.42 C ATOM 1321 NE1 TRP A 225 -7.069 4.124 5.310 1.00 63.40 N ATOM 1322 CE2 TRP A 225 -6.454 5.342 5.444 1.00 1.15 C ATOM 1323 CE3 TRP A 225 -4.207 6.201 5.638 1.00 22.11 C ATOM 1324 CZ2 TRP A 225 -6.996 6.625 5.523 1.00 30.12 C ATOM 1325 CZ3 TRP A 225 -4.745 7.464 5.717 1.00 35.14 C ATOM 1326 CH2 TRP A 225 -6.125 7.672 5.658 1.00 61.35 C ATOM 0 H TRP A 225 -4.810 1.685 7.594 1.00 14.20 H new ATOM 0 HA TRP A 225 -2.142 1.842 6.396 1.00 44.54 H new ATOM 0 HB2 TRP A 225 -2.799 3.682 5.010 1.00 40.32 H new ATOM 0 HB3 TRP A 225 -3.620 2.187 4.605 1.00 40.32 H new ATOM 0 HD1 TRP A 225 -6.316 2.083 5.169 1.00 3.30 H new ATOM 0 HE1 TRP A 225 -8.076 3.974 5.248 1.00 63.40 H new ATOM 0 HE3 TRP A 225 -3.138 6.055 5.685 1.00 22.11 H new ATOM 0 HZ2 TRP A 225 -8.063 6.786 5.479 1.00 30.12 H new ATOM 0 HZ3 TRP A 225 -4.087 8.313 5.827 1.00 35.14 H new ATOM 0 HH2 TRP A 225 -6.512 8.678 5.720 1.00 61.35 H new ATOM 1337 N TYR A 226 -1.582 3.909 7.592 1.00 44.14 N ATOM 1338 CA TYR A 226 -1.112 4.877 8.556 1.00 44.31 C ATOM 1339 C TYR A 226 -0.406 6.021 7.823 1.00 24.11 C ATOM 1340 O TYR A 226 0.306 5.788 6.841 1.00 63.35 O ATOM 1341 CB TYR A 226 -0.158 4.184 9.547 1.00 14.25 C ATOM 1342 CG TYR A 226 0.056 4.925 10.850 1.00 41.25 C ATOM 1343 CD1 TYR A 226 1.019 5.911 10.976 1.00 73.52 C ATOM 1344 CD2 TYR A 226 -0.715 4.623 11.961 1.00 21.11 C ATOM 1345 CE1 TYR A 226 1.205 6.580 12.170 1.00 54.13 C ATOM 1346 CE2 TYR A 226 -0.537 5.284 13.157 1.00 33.23 C ATOM 1347 CZ TYR A 226 0.424 6.263 13.255 1.00 54.43 C ATOM 1348 OH TYR A 226 0.612 6.921 14.454 1.00 13.11 O ATOM 0 H TYR A 226 -0.917 3.694 6.849 1.00 44.14 H new ATOM 0 HA TYR A 226 -1.951 5.291 9.115 1.00 44.31 H new ATOM 0 HB2 TYR A 226 -0.548 3.191 9.770 1.00 14.25 H new ATOM 0 HB3 TYR A 226 0.808 4.045 9.062 1.00 14.25 H new ATOM 0 HD1 TYR A 226 1.636 6.162 10.126 1.00 73.52 H new ATOM 0 HD2 TYR A 226 -1.470 3.854 11.888 1.00 21.11 H new ATOM 0 HE1 TYR A 226 1.960 7.348 12.250 1.00 54.13 H new ATOM 0 HE2 TYR A 226 -1.148 5.035 14.012 1.00 33.23 H new ATOM 0 HH TYR A 226 -0.022 6.579 15.118 1.00 13.11 H new ATOM 1358 N ALA A 227 -0.627 7.232 8.279 1.00 3.24 N ATOM 1359 CA ALA A 227 -0.037 8.423 7.680 1.00 51.23 C ATOM 1360 C ALA A 227 1.403 8.617 8.133 1.00 42.23 C ATOM 1361 O ALA A 227 1.745 8.381 9.301 1.00 42.42 O ATOM 1362 CB ALA A 227 -0.864 9.648 8.035 1.00 53.34 C ATOM 0 H ALA A 227 -1.225 7.428 9.082 1.00 3.24 H new ATOM 0 HA ALA A 227 -0.034 8.289 6.598 1.00 51.23 H new ATOM 0 HB1 ALA A 227 -0.416 10.533 7.583 1.00 53.34 H new ATOM 0 HB2 ALA A 227 -1.879 9.523 7.659 1.00 53.34 H new ATOM 0 HB3 ALA A 227 -0.891 9.768 9.118 1.00 53.34 H new ATOM 1368 N GLY A 228 2.240 9.050 7.217 1.00 12.33 N ATOM 1369 CA GLY A 228 3.626 9.241 7.519 1.00 15.44 C ATOM 1370 C GLY A 228 4.347 7.924 7.633 1.00 42.32 C ATOM 1371 O GLY A 228 3.769 6.847 7.387 1.00 14.22 O ATOM 0 H GLY A 228 1.977 9.275 6.257 1.00 12.33 H new ATOM 0 HA2 GLY A 228 4.090 9.846 6.740 1.00 15.44 H new ATOM 0 HA3 GLY A 228 3.724 9.794 8.453 1.00 15.44 H new