USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 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 199 MET CE :methyl 163:sc= -0.65 (180deg=-1.49!) USER MOD Set 1.2: A 203 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 149 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 202 HIS : no HD1:sc= -0.0135 X(o=-0.014,f=-0.05) USER MOD Set 3.1: A 173 SER OG : rot -89:sc= 0.365 USER MOD Set 3.2: A 174 ASN : amide:sc= -1.92 X(o=-1.6,f=-1.5) USER MOD Single : A 147 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.24) USER MOD Single : A 150 GLN : amide:sc= 1.15 K(o=1.1,f=-0.031) USER MOD Single : A 155 CYS SG : rot -120:sc= -0.878 USER MOD Single : A 158 LYS NZ :NH3+ 168:sc= -0.0254 (180deg=-0.184) USER MOD Single : A 161 THR OG1 : rot -28:sc= 1.19 USER MOD Single : A 162 TYR OH : rot 13:sc= 1.29 USER MOD Single : A 166 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.0048) USER MOD Single : A 169 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.74) USER MOD Single : A 171 THR OG1 : rot -96:sc= 0.0765 USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 183 THR OG1 : rot 180:sc=-0.00966 USER MOD Single : A 190 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 192 THR OG1 : rot 180:sc= -2.61! USER MOD Single : A 194 THR OG1 : rot 150:sc= 0.969 USER MOD Single : A 196 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.2) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 215 SER OG : rot -83:sc= 1.2 USER MOD Single : A 217 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.066) 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=-0.016) USER MOD Single : A 226 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 146 4.574 14.898 -1.577 1.00 53.11 N ATOM 66 CA LEU A 146 3.399 14.113 -1.741 1.00 12.23 C ATOM 67 C LEU A 146 3.101 13.621 -0.345 1.00 25.45 C ATOM 68 O LEU A 146 3.980 13.710 0.524 1.00 12.43 O ATOM 69 CB LEU A 146 3.656 12.899 -2.679 1.00 71.24 C ATOM 70 CG LEU A 146 4.013 13.185 -4.163 1.00 21.23 C ATOM 71 CD1 LEU A 146 5.426 13.738 -4.324 1.00 34.15 C ATOM 72 CD2 LEU A 146 3.834 11.936 -5.009 1.00 42.22 C ATOM 0 HA LEU A 146 2.584 14.682 -2.189 1.00 12.23 H new ATOM 0 HB2 LEU A 146 4.466 12.310 -2.248 1.00 71.24 H new ATOM 0 HB3 LEU A 146 2.764 12.272 -2.665 1.00 71.24 H new ATOM 0 HG LEU A 146 3.323 13.953 -4.513 1.00 21.23 H new ATOM 0 HD11 LEU A 146 5.627 13.921 -5.380 1.00 34.15 H new ATOM 0 HD12 LEU A 146 5.516 14.672 -3.770 1.00 34.15 H new ATOM 0 HD13 LEU A 146 6.145 13.016 -3.938 1.00 34.15 H new ATOM 0 HD21 LEU A 146 4.089 12.159 -6.045 1.00 42.22 H new ATOM 0 HD22 LEU A 146 4.487 11.147 -4.636 1.00 42.22 H new ATOM 0 HD23 LEU A 146 2.797 11.605 -4.954 1.00 42.22 H new ATOM 84 N GLN A 147 1.932 13.151 -0.103 1.00 32.21 N ATOM 85 CA GLN A 147 1.581 12.663 1.197 1.00 74.13 C ATOM 86 C GLN A 147 1.846 11.188 1.275 1.00 40.32 C ATOM 87 O GLN A 147 1.278 10.408 0.504 1.00 51.44 O ATOM 88 CB GLN A 147 0.131 12.991 1.543 1.00 2.34 C ATOM 89 CG GLN A 147 -0.118 14.467 1.822 1.00 44.44 C ATOM 90 CD GLN A 147 0.651 14.958 3.037 1.00 32.23 C ATOM 91 OE1 GLN A 147 0.154 14.897 4.167 1.00 53.11 O ATOM 92 NE2 GLN A 147 1.855 15.442 2.825 1.00 10.11 N ATOM 0 H GLN A 147 1.185 13.090 -0.795 1.00 32.21 H new ATOM 0 HA GLN A 147 2.203 13.166 1.937 1.00 74.13 H new ATOM 0 HB2 GLN A 147 -0.509 12.674 0.720 1.00 2.34 H new ATOM 0 HB3 GLN A 147 -0.164 12.411 2.418 1.00 2.34 H new ATOM 0 HG2 GLN A 147 0.170 15.054 0.950 1.00 44.44 H new ATOM 0 HG3 GLN A 147 -1.184 14.631 1.978 1.00 44.44 H new ATOM 0 HE21 GLN A 147 2.231 15.476 1.878 1.00 10.11 H new ATOM 0 HE22 GLN A 147 2.413 15.783 3.608 1.00 10.11 H new ATOM 101 N PRO A 148 2.769 10.786 2.147 1.00 63.21 N ATOM 102 CA PRO A 148 3.106 9.403 2.327 1.00 52.31 C ATOM 103 C PRO A 148 2.054 8.677 3.137 1.00 25.35 C ATOM 104 O PRO A 148 1.678 9.095 4.228 1.00 71.33 O ATOM 105 CB PRO A 148 4.440 9.437 3.077 1.00 33.33 C ATOM 106 CG PRO A 148 4.424 10.722 3.822 1.00 71.24 C ATOM 107 CD PRO A 148 3.577 11.669 3.018 1.00 63.10 C ATOM 0 HA PRO A 148 3.168 8.869 1.379 1.00 52.31 H new ATOM 0 HB2 PRO A 148 4.535 8.588 3.754 1.00 33.33 H new ATOM 0 HB3 PRO A 148 5.283 9.390 2.387 1.00 33.33 H new ATOM 0 HG2 PRO A 148 4.012 10.586 4.822 1.00 71.24 H new ATOM 0 HG3 PRO A 148 5.434 11.113 3.944 1.00 71.24 H new ATOM 0 HD2 PRO A 148 2.944 12.281 3.661 1.00 63.10 H new ATOM 0 HD3 PRO A 148 4.191 12.352 2.432 1.00 63.10 H new ATOM 115 N TYR A 149 1.557 7.648 2.585 1.00 1.54 N ATOM 116 CA TYR A 149 0.628 6.793 3.256 1.00 74.33 C ATOM 117 C TYR A 149 1.165 5.407 3.208 1.00 24.32 C ATOM 118 O TYR A 149 1.682 4.981 2.191 1.00 11.45 O ATOM 119 CB TYR A 149 -0.759 6.839 2.590 1.00 71.53 C ATOM 120 CG TYR A 149 -1.415 8.184 2.694 1.00 15.42 C ATOM 121 CD1 TYR A 149 -1.938 8.601 3.892 1.00 61.34 C ATOM 122 CD2 TYR A 149 -1.482 9.045 1.610 1.00 11.41 C ATOM 123 CE1 TYR A 149 -2.504 9.836 4.032 1.00 61.41 C ATOM 124 CE2 TYR A 149 -2.061 10.291 1.734 1.00 5.52 C ATOM 125 CZ TYR A 149 -2.567 10.682 2.956 1.00 41.34 C ATOM 126 OH TYR A 149 -3.115 11.935 3.107 1.00 61.44 O ATOM 0 H TYR A 149 1.779 7.356 1.633 1.00 1.54 H new ATOM 0 HA TYR A 149 0.507 7.128 4.286 1.00 74.33 H new ATOM 0 HB2 TYR A 149 -0.660 6.570 1.538 1.00 71.53 H new ATOM 0 HB3 TYR A 149 -1.403 6.090 3.052 1.00 71.53 H new ATOM 0 HD1 TYR A 149 -1.901 7.938 4.743 1.00 61.34 H new ATOM 0 HD2 TYR A 149 -1.076 8.737 0.658 1.00 11.41 H new ATOM 0 HE1 TYR A 149 -2.901 10.145 4.988 1.00 61.41 H new ATOM 0 HE2 TYR A 149 -2.117 10.953 0.883 1.00 5.52 H new ATOM 0 HH TYR A 149 -3.084 12.411 2.251 1.00 61.44 H new ATOM 136 N GLN A 150 1.074 4.713 4.275 1.00 4.11 N ATOM 137 CA GLN A 150 1.500 3.363 4.290 1.00 72.51 C ATOM 138 C GLN A 150 0.297 2.498 4.411 1.00 51.32 C ATOM 139 O GLN A 150 -0.508 2.651 5.328 1.00 42.42 O ATOM 140 CB GLN A 150 2.531 3.083 5.392 1.00 73.31 C ATOM 141 CG GLN A 150 2.087 3.420 6.812 1.00 1.42 C ATOM 142 CD GLN A 150 3.155 3.130 7.836 1.00 11.44 C ATOM 143 OE1 GLN A 150 3.238 2.024 8.368 1.00 22.34 O ATOM 144 NE2 GLN A 150 3.947 4.117 8.157 1.00 21.12 N ATOM 0 H GLN A 150 0.705 5.058 5.161 1.00 4.11 H new ATOM 0 HA GLN A 150 2.018 3.139 3.358 1.00 72.51 H new ATOM 0 HB2 GLN A 150 2.798 2.027 5.355 1.00 73.31 H new ATOM 0 HB3 GLN A 150 3.436 3.648 5.170 1.00 73.31 H new ATOM 0 HG2 GLN A 150 1.816 4.474 6.864 1.00 1.42 H new ATOM 0 HG3 GLN A 150 1.191 2.848 7.054 1.00 1.42 H new ATOM 0 HE21 GLN A 150 3.849 5.021 7.694 1.00 21.12 H new ATOM 0 HE22 GLN A 150 4.664 3.984 8.870 1.00 21.12 H new ATOM 153 N VAL A 151 0.132 1.657 3.469 1.00 10.44 N ATOM 154 CA VAL A 151 -0.997 0.785 3.441 1.00 25.35 C ATOM 155 C VAL A 151 -0.515 -0.606 3.774 1.00 43.52 C ATOM 156 O VAL A 151 0.162 -1.253 2.982 1.00 0.41 O ATOM 157 CB VAL A 151 -1.716 0.794 2.057 1.00 63.40 C ATOM 158 CG1 VAL A 151 -2.925 -0.139 2.057 1.00 14.21 C ATOM 159 CG2 VAL A 151 -2.140 2.208 1.678 1.00 71.15 C ATOM 0 H VAL A 151 0.774 1.544 2.685 1.00 10.44 H new ATOM 0 HA VAL A 151 -1.730 1.129 4.171 1.00 25.35 H new ATOM 0 HB VAL A 151 -1.007 0.432 1.313 1.00 63.40 H new ATOM 0 HG11 VAL A 151 -3.406 -0.112 1.079 1.00 14.21 H new ATOM 0 HG12 VAL A 151 -2.599 -1.157 2.273 1.00 14.21 H new ATOM 0 HG13 VAL A 151 -3.634 0.184 2.819 1.00 14.21 H new ATOM 0 HG21 VAL A 151 -2.639 2.191 0.709 1.00 71.15 H new ATOM 0 HG22 VAL A 151 -2.824 2.597 2.432 1.00 71.15 H new ATOM 0 HG23 VAL A 151 -1.260 2.849 1.621 1.00 71.15 H new ATOM 169 N ARG A 152 -0.808 -1.012 4.957 1.00 32.12 N ATOM 170 CA ARG A 152 -0.393 -2.269 5.484 1.00 43.40 C ATOM 171 C ARG A 152 -1.494 -3.295 5.337 1.00 14.22 C ATOM 172 O ARG A 152 -2.507 -3.237 6.021 1.00 20.43 O ATOM 173 CB ARG A 152 0.032 -2.070 6.940 1.00 65.11 C ATOM 174 CG ARG A 152 0.326 -3.332 7.700 1.00 42.33 C ATOM 175 CD ARG A 152 1.082 -3.029 8.965 1.00 52.43 C ATOM 176 NE ARG A 152 2.404 -2.477 8.655 1.00 72.22 N ATOM 177 CZ ARG A 152 3.137 -1.729 9.470 1.00 4.00 C ATOM 178 NH1 ARG A 152 2.666 -1.367 10.655 1.00 2.25 N ATOM 179 NH2 ARG A 152 4.339 -1.328 9.087 1.00 0.31 N ATOM 0 H ARG A 152 -1.363 -0.460 5.611 1.00 32.12 H new ATOM 0 HA ARG A 152 0.461 -2.653 4.926 1.00 43.40 H new ATOM 0 HB2 ARG A 152 0.920 -1.438 6.959 1.00 65.11 H new ATOM 0 HB3 ARG A 152 -0.757 -1.527 7.461 1.00 65.11 H new ATOM 0 HG2 ARG A 152 -0.606 -3.842 7.941 1.00 42.33 H new ATOM 0 HG3 ARG A 152 0.908 -4.010 7.076 1.00 42.33 H new ATOM 0 HD2 ARG A 152 0.518 -2.320 9.571 1.00 52.43 H new ATOM 0 HD3 ARG A 152 1.191 -3.938 9.557 1.00 52.43 H new ATOM 0 HE ARG A 152 2.793 -2.685 7.736 1.00 72.22 H new ATOM 0 HH11 ARG A 152 1.734 -1.664 10.946 1.00 2.25 H new ATOM 0 HH12 ARG A 152 3.235 -0.792 11.276 1.00 2.25 H new ATOM 0 HH21 ARG A 152 4.697 -1.594 8.170 1.00 0.31 H new ATOM 0 HH22 ARG A 152 4.907 -0.753 9.709 1.00 0.31 H new ATOM 193 N VAL A 153 -1.303 -4.205 4.434 1.00 1.00 N ATOM 194 CA VAL A 153 -2.288 -5.214 4.152 1.00 2.53 C ATOM 195 C VAL A 153 -1.777 -6.594 4.528 1.00 21.51 C ATOM 196 O VAL A 153 -0.714 -7.030 4.085 1.00 43.02 O ATOM 197 CB VAL A 153 -2.799 -5.171 2.665 1.00 14.35 C ATOM 198 CG1 VAL A 153 -1.647 -5.082 1.682 1.00 35.24 C ATOM 199 CG2 VAL A 153 -3.617 -6.406 2.351 1.00 72.40 C ATOM 0 H VAL A 153 -0.458 -4.273 3.867 1.00 1.00 H new ATOM 0 HA VAL A 153 -3.154 -4.991 4.776 1.00 2.53 H new ATOM 0 HB VAL A 153 -3.418 -4.279 2.563 1.00 14.35 H new ATOM 0 HG11 VAL A 153 -2.038 -5.054 0.665 1.00 35.24 H new ATOM 0 HG12 VAL A 153 -1.073 -4.176 1.875 1.00 35.24 H new ATOM 0 HG13 VAL A 153 -1.001 -5.952 1.799 1.00 35.24 H new ATOM 0 HG21 VAL A 153 -3.963 -6.360 1.318 1.00 72.40 H new ATOM 0 HG22 VAL A 153 -3.001 -7.295 2.489 1.00 72.40 H new ATOM 0 HG23 VAL A 153 -4.476 -6.453 3.020 1.00 72.40 H new ATOM 209 N ILE A 154 -2.516 -7.251 5.364 1.00 14.03 N ATOM 210 CA ILE A 154 -2.204 -8.579 5.779 1.00 53.40 C ATOM 211 C ILE A 154 -3.046 -9.508 4.934 1.00 4.14 C ATOM 212 O ILE A 154 -4.280 -9.452 4.995 1.00 1.50 O ATOM 213 CB ILE A 154 -2.550 -8.802 7.279 1.00 14.31 C ATOM 214 CG1 ILE A 154 -1.850 -7.746 8.155 1.00 0.33 C ATOM 215 CG2 ILE A 154 -2.152 -10.218 7.713 1.00 41.21 C ATOM 216 CD1 ILE A 154 -2.200 -7.823 9.627 1.00 41.50 C ATOM 0 H ILE A 154 -3.366 -6.873 5.783 1.00 14.03 H new ATOM 0 HA ILE A 154 -1.137 -8.765 5.657 1.00 53.40 H new ATOM 0 HB ILE A 154 -3.627 -8.693 7.409 1.00 14.31 H new ATOM 0 HG12 ILE A 154 -0.771 -7.857 8.044 1.00 0.33 H new ATOM 0 HG13 ILE A 154 -2.109 -6.754 7.784 1.00 0.33 H new ATOM 0 HG21 ILE A 154 -2.400 -10.359 8.765 1.00 41.21 H new ATOM 0 HG22 ILE A 154 -2.693 -10.948 7.111 1.00 41.21 H new ATOM 0 HG23 ILE A 154 -1.080 -10.354 7.572 1.00 41.21 H new ATOM 0 HD11 ILE A 154 -1.664 -7.044 10.170 1.00 41.50 H new ATOM 0 HD12 ILE A 154 -3.273 -7.680 9.754 1.00 41.50 H new ATOM 0 HD13 ILE A 154 -1.915 -8.800 10.018 1.00 41.50 H new ATOM 228 N CYS A 155 -2.415 -10.310 4.138 1.00 13.25 N ATOM 229 CA CYS A 155 -3.111 -11.205 3.273 1.00 3.53 C ATOM 230 C CYS A 155 -2.392 -12.514 3.266 1.00 12.31 C ATOM 231 O CYS A 155 -1.302 -12.606 3.804 1.00 41.52 O ATOM 232 CB CYS A 155 -3.189 -10.617 1.863 1.00 2.12 C ATOM 233 SG CYS A 155 -1.598 -10.150 1.150 1.00 5.20 S ATOM 0 H CYS A 155 -1.399 -10.362 4.070 1.00 13.25 H new ATOM 0 HA CYS A 155 -4.131 -11.355 3.628 1.00 3.53 H new ATOM 0 HB2 CYS A 155 -3.666 -11.345 1.207 1.00 2.12 H new ATOM 0 HB3 CYS A 155 -3.833 -9.738 1.886 1.00 2.12 H new ATOM 0 HG CYS A 155 -1.601 -8.879 0.877 1.00 5.20 H new ATOM 239 N ARG A 156 -2.991 -13.517 2.711 1.00 71.51 N ATOM 240 CA ARG A 156 -2.322 -14.815 2.595 1.00 52.21 C ATOM 241 C ARG A 156 -1.157 -14.710 1.579 1.00 54.30 C ATOM 242 O ARG A 156 -1.195 -13.856 0.700 1.00 51.24 O ATOM 243 CB ARG A 156 -3.326 -15.930 2.250 1.00 44.12 C ATOM 244 CG ARG A 156 -4.039 -15.781 0.935 1.00 40.52 C ATOM 245 CD ARG A 156 -5.133 -16.813 0.817 1.00 12.00 C ATOM 246 NE ARG A 156 -5.734 -16.815 -0.509 1.00 53.41 N ATOM 247 CZ ARG A 156 -7.039 -16.797 -0.776 1.00 21.44 C ATOM 248 NH1 ARG A 156 -7.926 -16.614 0.199 1.00 45.30 N ATOM 249 NH2 ARG A 156 -7.452 -16.905 -2.037 1.00 63.43 N ATOM 0 H ARG A 156 -3.935 -13.485 2.327 1.00 71.51 H new ATOM 0 HA ARG A 156 -1.893 -15.091 3.558 1.00 52.21 H new ATOM 0 HB2 ARG A 156 -2.797 -16.883 2.249 1.00 44.12 H new ATOM 0 HB3 ARG A 156 -4.072 -15.980 3.043 1.00 44.12 H new ATOM 0 HG2 ARG A 156 -4.463 -14.780 0.854 1.00 40.52 H new ATOM 0 HG3 ARG A 156 -3.331 -15.895 0.114 1.00 40.52 H new ATOM 0 HD2 ARG A 156 -4.726 -17.801 1.033 1.00 12.00 H new ATOM 0 HD3 ARG A 156 -5.902 -16.615 1.564 1.00 12.00 H new ATOM 0 HE ARG A 156 -5.098 -16.832 -1.306 1.00 53.41 H new ATOM 0 HH11 ARG A 156 -7.609 -16.486 1.160 1.00 45.30 H new ATOM 0 HH12 ARG A 156 -8.923 -16.602 -0.015 1.00 45.30 H new ATOM 0 HH21 ARG A 156 -6.771 -17.001 -2.790 1.00 63.43 H new ATOM 0 HH22 ARG A 156 -8.449 -16.892 -2.250 1.00 63.43 H new ATOM 263 N PRO A 157 -0.096 -15.543 1.698 1.00 34.14 N ATOM 264 CA PRO A 157 1.113 -15.432 0.856 1.00 63.24 C ATOM 265 C PRO A 157 0.862 -15.420 -0.641 1.00 2.24 C ATOM 266 O PRO A 157 1.478 -14.646 -1.362 1.00 24.31 O ATOM 267 CB PRO A 157 1.974 -16.617 1.267 1.00 24.32 C ATOM 268 CG PRO A 157 1.513 -16.954 2.639 1.00 41.41 C ATOM 269 CD PRO A 157 0.045 -16.635 2.674 1.00 11.00 C ATOM 0 HA PRO A 157 1.590 -14.466 1.023 1.00 63.24 H new ATOM 0 HB2 PRO A 157 1.843 -17.458 0.586 1.00 24.32 H new ATOM 0 HB3 PRO A 157 3.033 -16.361 1.256 1.00 24.32 H new ATOM 0 HG2 PRO A 157 1.689 -18.006 2.862 1.00 41.41 H new ATOM 0 HG3 PRO A 157 2.056 -16.375 3.386 1.00 41.41 H new ATOM 0 HD2 PRO A 157 -0.560 -17.499 2.399 1.00 11.00 H new ATOM 0 HD3 PRO A 157 -0.275 -16.327 3.669 1.00 11.00 H new ATOM 277 N LYS A 158 -0.062 -16.224 -1.105 1.00 53.22 N ATOM 278 CA LYS A 158 -0.342 -16.267 -2.521 1.00 11.43 C ATOM 279 C LYS A 158 -1.174 -15.071 -2.966 1.00 51.32 C ATOM 280 O LYS A 158 -1.337 -14.820 -4.167 1.00 72.13 O ATOM 281 CB LYS A 158 -1.017 -17.566 -2.913 1.00 24.01 C ATOM 282 CG LYS A 158 -0.161 -18.799 -2.684 1.00 23.43 C ATOM 283 CD LYS A 158 -0.831 -20.058 -3.218 1.00 34.53 C ATOM 284 CE LYS A 158 -1.049 -19.980 -4.728 1.00 33.00 C ATOM 285 NZ LYS A 158 0.221 -19.795 -5.474 1.00 62.25 N ATOM 0 H LYS A 158 -0.628 -16.851 -0.533 1.00 53.22 H new ATOM 0 HA LYS A 158 0.617 -16.216 -3.037 1.00 11.43 H new ATOM 0 HB2 LYS A 158 -1.943 -17.668 -2.346 1.00 24.01 H new ATOM 0 HB3 LYS A 158 -1.292 -17.517 -3.967 1.00 24.01 H new ATOM 0 HG2 LYS A 158 0.805 -18.667 -3.171 1.00 23.43 H new ATOM 0 HG3 LYS A 158 0.033 -18.914 -1.618 1.00 23.43 H new ATOM 0 HD2 LYS A 158 -0.216 -20.926 -2.983 1.00 34.53 H new ATOM 0 HD3 LYS A 158 -1.789 -20.201 -2.718 1.00 34.53 H new ATOM 0 HE2 LYS A 158 -1.538 -20.892 -5.069 1.00 33.00 H new ATOM 0 HE3 LYS A 158 -1.723 -19.153 -4.953 1.00 33.00 H new ATOM 0 HZ1 LYS A 158 0.053 -19.950 -6.489 1.00 62.25 H new ATOM 0 HZ2 LYS A 158 0.573 -18.828 -5.325 1.00 62.25 H new ATOM 0 HZ3 LYS A 158 0.927 -20.477 -5.131 1.00 62.25 H new ATOM 299 N ALA A 159 -1.655 -14.307 -2.004 1.00 23.40 N ATOM 300 CA ALA A 159 -2.477 -13.173 -2.300 1.00 65.30 C ATOM 301 C ALA A 159 -1.609 -11.990 -2.598 1.00 34.22 C ATOM 302 O ALA A 159 -1.956 -11.159 -3.429 1.00 42.01 O ATOM 303 CB ALA A 159 -3.442 -12.865 -1.170 1.00 24.24 C ATOM 0 H ALA A 159 -1.484 -14.461 -1.010 1.00 23.40 H new ATOM 0 HA ALA A 159 -3.081 -13.407 -3.177 1.00 65.30 H new ATOM 0 HB1 ALA A 159 -4.047 -11.998 -1.435 1.00 24.24 H new ATOM 0 HB2 ALA A 159 -4.092 -13.724 -1.002 1.00 24.24 H new ATOM 0 HB3 ALA A 159 -2.881 -12.652 -0.260 1.00 24.24 H new ATOM 309 N GLU A 160 -0.441 -11.974 -1.953 1.00 65.34 N ATOM 310 CA GLU A 160 0.579 -10.928 -2.071 1.00 14.41 C ATOM 311 C GLU A 160 0.803 -10.544 -3.508 1.00 15.43 C ATOM 312 O GLU A 160 0.767 -9.373 -3.848 1.00 40.40 O ATOM 313 CB GLU A 160 1.891 -11.433 -1.377 1.00 61.15 C ATOM 314 CG GLU A 160 3.186 -10.580 -1.501 1.00 71.34 C ATOM 315 CD GLU A 160 3.927 -10.710 -2.838 1.00 71.24 C ATOM 316 OE1 GLU A 160 3.716 -11.705 -3.569 1.00 13.51 O ATOM 317 OE2 GLU A 160 4.768 -9.845 -3.153 1.00 2.04 O ATOM 0 H GLU A 160 -0.168 -12.717 -1.310 1.00 65.34 H new ATOM 0 HA GLU A 160 0.242 -10.021 -1.569 1.00 14.41 H new ATOM 0 HB2 GLU A 160 1.676 -11.553 -0.315 1.00 61.15 H new ATOM 0 HB3 GLU A 160 2.111 -12.425 -1.772 1.00 61.15 H new ATOM 0 HG2 GLU A 160 2.928 -9.532 -1.347 1.00 71.34 H new ATOM 0 HG3 GLU A 160 3.866 -10.862 -0.698 1.00 71.34 H new ATOM 324 N THR A 161 0.926 -11.527 -4.339 1.00 11.15 N ATOM 325 CA THR A 161 1.257 -11.321 -5.713 1.00 1.45 C ATOM 326 C THR A 161 0.145 -10.566 -6.492 1.00 62.35 C ATOM 327 O THR A 161 0.441 -9.675 -7.289 1.00 21.25 O ATOM 328 CB THR A 161 1.612 -12.664 -6.337 1.00 11.31 C ATOM 329 OG1 THR A 161 2.500 -13.332 -5.414 1.00 1.44 O ATOM 330 CG2 THR A 161 2.340 -12.473 -7.659 1.00 73.12 C ATOM 0 H THR A 161 0.798 -12.506 -4.082 1.00 11.15 H new ATOM 0 HA THR A 161 2.125 -10.665 -5.775 1.00 1.45 H new ATOM 0 HB THR A 161 0.705 -13.239 -6.526 1.00 11.31 H new ATOM 0 HG1 THR A 161 2.994 -12.664 -4.894 1.00 1.44 H new ATOM 0 HG21 THR A 161 2.583 -13.447 -8.085 1.00 73.12 H new ATOM 0 HG22 THR A 161 1.701 -11.924 -8.350 1.00 73.12 H new ATOM 0 HG23 THR A 161 3.259 -11.911 -7.491 1.00 73.12 H new ATOM 338 N TYR A 162 -1.118 -10.875 -6.241 1.00 13.32 N ATOM 339 CA TYR A 162 -2.174 -10.142 -6.906 1.00 44.24 C ATOM 340 C TYR A 162 -2.580 -8.878 -6.152 1.00 62.11 C ATOM 341 O TYR A 162 -3.130 -7.957 -6.740 1.00 15.53 O ATOM 342 CB TYR A 162 -3.380 -11.004 -7.342 1.00 14.14 C ATOM 343 CG TYR A 162 -3.995 -11.869 -6.277 1.00 3.41 C ATOM 344 CD1 TYR A 162 -4.784 -11.331 -5.271 1.00 53.23 C ATOM 345 CD2 TYR A 162 -3.796 -13.240 -6.294 1.00 41.33 C ATOM 346 CE1 TYR A 162 -5.346 -12.134 -4.309 1.00 15.12 C ATOM 347 CE2 TYR A 162 -4.355 -14.050 -5.340 1.00 43.35 C ATOM 348 CZ TYR A 162 -5.127 -13.497 -4.350 1.00 61.02 C ATOM 349 OH TYR A 162 -5.670 -14.306 -3.385 1.00 51.44 O ATOM 0 H TYR A 162 -1.427 -11.606 -5.601 1.00 13.32 H new ATOM 0 HA TYR A 162 -1.731 -9.811 -7.845 1.00 44.24 H new ATOM 0 HB2 TYR A 162 -4.152 -10.341 -7.733 1.00 14.14 H new ATOM 0 HB3 TYR A 162 -3.064 -11.645 -8.164 1.00 14.14 H new ATOM 0 HD1 TYR A 162 -4.959 -10.266 -5.244 1.00 53.23 H new ATOM 0 HD2 TYR A 162 -3.190 -13.678 -7.073 1.00 41.33 H new ATOM 0 HE1 TYR A 162 -5.954 -11.703 -3.527 1.00 15.12 H new ATOM 0 HE2 TYR A 162 -4.189 -15.117 -5.368 1.00 43.35 H new ATOM 0 HH TYR A 162 -6.339 -13.803 -2.875 1.00 51.44 H new ATOM 359 N VAL A 163 -2.299 -8.824 -4.852 1.00 53.51 N ATOM 360 CA VAL A 163 -2.585 -7.630 -4.077 1.00 44.21 C ATOM 361 C VAL A 163 -1.614 -6.529 -4.492 1.00 44.51 C ATOM 362 O VAL A 163 -2.014 -5.422 -4.822 1.00 72.20 O ATOM 363 CB VAL A 163 -2.504 -7.897 -2.539 1.00 21.45 C ATOM 364 CG1 VAL A 163 -2.632 -6.607 -1.747 1.00 53.34 C ATOM 365 CG2 VAL A 163 -3.604 -8.860 -2.116 1.00 24.30 C ATOM 0 H VAL A 163 -1.878 -9.587 -4.322 1.00 53.51 H new ATOM 0 HA VAL A 163 -3.608 -7.316 -4.283 1.00 44.21 H new ATOM 0 HB VAL A 163 -1.529 -8.337 -2.329 1.00 21.45 H new ATOM 0 HG11 VAL A 163 -2.572 -6.827 -0.681 1.00 53.34 H new ATOM 0 HG12 VAL A 163 -1.825 -5.929 -2.024 1.00 53.34 H new ATOM 0 HG13 VAL A 163 -3.591 -6.139 -1.967 1.00 53.34 H new ATOM 0 HG21 VAL A 163 -3.538 -9.039 -1.043 1.00 24.30 H new ATOM 0 HG22 VAL A 163 -4.576 -8.428 -2.353 1.00 24.30 H new ATOM 0 HG23 VAL A 163 -3.486 -9.804 -2.649 1.00 24.30 H new ATOM 375 N ARG A 164 -0.354 -6.887 -4.536 1.00 12.02 N ATOM 376 CA ARG A 164 0.736 -6.011 -4.945 1.00 72.20 C ATOM 377 C ARG A 164 0.529 -5.508 -6.380 1.00 61.11 C ATOM 378 O ARG A 164 0.719 -4.317 -6.667 1.00 25.14 O ATOM 379 CB ARG A 164 2.022 -6.809 -4.792 1.00 71.50 C ATOM 380 CG ARG A 164 3.292 -6.246 -5.367 1.00 3.53 C ATOM 381 CD ARG A 164 4.403 -7.220 -5.039 1.00 41.41 C ATOM 382 NE ARG A 164 5.624 -7.011 -5.795 1.00 4.41 N ATOM 383 CZ ARG A 164 6.589 -7.934 -5.884 1.00 71.43 C ATOM 384 NH1 ARG A 164 6.529 -9.039 -5.124 1.00 21.12 N ATOM 385 NH2 ARG A 164 7.618 -7.753 -6.709 1.00 53.51 N ATOM 0 H ARG A 164 -0.041 -7.824 -4.282 1.00 12.02 H new ATOM 0 HA ARG A 164 0.778 -5.116 -4.324 1.00 72.20 H new ATOM 0 HB2 ARG A 164 2.185 -6.973 -3.727 1.00 71.50 H new ATOM 0 HB3 ARG A 164 1.860 -7.788 -5.244 1.00 71.50 H new ATOM 0 HG2 ARG A 164 3.201 -6.115 -6.445 1.00 3.53 H new ATOM 0 HG3 ARG A 164 3.504 -5.264 -4.944 1.00 3.53 H new ATOM 0 HD2 ARG A 164 4.631 -7.148 -3.976 1.00 41.41 H new ATOM 0 HD3 ARG A 164 4.046 -8.234 -5.220 1.00 41.41 H new ATOM 0 HE ARG A 164 5.752 -6.123 -6.279 1.00 4.41 H new ATOM 0 HH11 ARG A 164 5.749 -9.174 -4.481 1.00 21.12 H new ATOM 0 HH12 ARG A 164 7.263 -9.744 -5.190 1.00 21.12 H new ATOM 0 HH21 ARG A 164 7.674 -6.908 -7.277 1.00 53.51 H new ATOM 0 HH22 ARG A 164 8.351 -8.460 -6.773 1.00 53.51 H new ATOM 399 N ALA A 165 0.089 -6.405 -7.255 1.00 72.33 N ATOM 400 CA ALA A 165 -0.188 -6.059 -8.640 1.00 73.54 C ATOM 401 C ALA A 165 -1.363 -5.089 -8.728 1.00 72.02 C ATOM 402 O ALA A 165 -1.352 -4.141 -9.513 1.00 22.35 O ATOM 403 CB ALA A 165 -0.466 -7.305 -9.455 1.00 75.22 C ATOM 0 H ALA A 165 -0.084 -7.384 -7.025 1.00 72.33 H new ATOM 0 HA ALA A 165 0.694 -5.568 -9.052 1.00 73.54 H new ATOM 0 HB1 ALA A 165 -0.671 -7.026 -10.488 1.00 75.22 H new ATOM 0 HB2 ALA A 165 0.403 -7.962 -9.422 1.00 75.22 H new ATOM 0 HB3 ALA A 165 -1.330 -7.825 -9.041 1.00 75.22 H new ATOM 409 N HIS A 166 -2.357 -5.311 -7.896 1.00 11.24 N ATOM 410 CA HIS A 166 -3.522 -4.449 -7.855 1.00 72.34 C ATOM 411 C HIS A 166 -3.122 -3.070 -7.341 1.00 73.41 C ATOM 412 O HIS A 166 -3.561 -2.043 -7.879 1.00 4.22 O ATOM 413 CB HIS A 166 -4.638 -5.090 -7.001 1.00 31.05 C ATOM 414 CG HIS A 166 -5.921 -4.300 -6.903 1.00 73.13 C ATOM 415 ND1 HIS A 166 -6.965 -4.401 -7.797 1.00 13.41 N ATOM 416 CD2 HIS A 166 -6.325 -3.412 -5.965 1.00 13.22 C ATOM 417 CE1 HIS A 166 -7.941 -3.591 -7.385 1.00 5.02 C ATOM 418 NE2 HIS A 166 -7.603 -2.967 -6.275 1.00 35.14 N ATOM 0 H HIS A 166 -2.383 -6.086 -7.234 1.00 11.24 H new ATOM 0 HA HIS A 166 -3.923 -4.326 -8.861 1.00 72.34 H new ATOM 0 HB2 HIS A 166 -4.868 -6.072 -7.414 1.00 31.05 H new ATOM 0 HB3 HIS A 166 -4.253 -5.250 -5.994 1.00 31.05 H new ATOM 0 HD2 HIS A 166 -5.745 -3.099 -5.110 1.00 13.22 H new ATOM 0 HE1 HIS A 166 -8.885 -3.463 -7.894 1.00 5.02 H new ATOM 0 HE2 HIS A 166 -8.164 -2.295 -5.751 1.00 35.14 H new ATOM 426 N ILE A 167 -2.256 -3.055 -6.334 1.00 72.33 N ATOM 427 CA ILE A 167 -1.742 -1.818 -5.779 1.00 35.43 C ATOM 428 C ILE A 167 -1.037 -1.017 -6.855 1.00 31.21 C ATOM 429 O ILE A 167 -1.366 0.142 -7.070 1.00 31.14 O ATOM 430 CB ILE A 167 -0.766 -2.050 -4.574 1.00 70.21 C ATOM 431 CG1 ILE A 167 -1.498 -2.721 -3.407 1.00 1.44 C ATOM 432 CG2 ILE A 167 -0.127 -0.729 -4.115 1.00 43.21 C ATOM 433 CD1 ILE A 167 -0.614 -3.060 -2.219 1.00 4.12 C ATOM 0 H ILE A 167 -1.895 -3.897 -5.885 1.00 72.33 H new ATOM 0 HA ILE A 167 -2.601 -1.265 -5.399 1.00 35.43 H new ATOM 0 HB ILE A 167 0.030 -2.712 -4.913 1.00 70.21 H new ATOM 0 HG12 ILE A 167 -2.299 -2.063 -3.071 1.00 1.44 H new ATOM 0 HG13 ILE A 167 -1.967 -3.636 -3.767 1.00 1.44 H new ATOM 0 HG21 ILE A 167 0.545 -0.921 -3.278 1.00 43.21 H new ATOM 0 HG22 ILE A 167 0.436 -0.291 -4.939 1.00 43.21 H new ATOM 0 HG23 ILE A 167 -0.908 -0.037 -3.801 1.00 43.21 H new ATOM 0 HD11 ILE A 167 -1.215 -3.531 -1.441 1.00 4.12 H new ATOM 0 HD12 ILE A 167 0.173 -3.745 -2.535 1.00 4.12 H new ATOM 0 HD13 ILE A 167 -0.165 -2.147 -1.828 1.00 4.12 H new ATOM 445 N VAL A 168 -0.134 -1.652 -7.588 1.00 41.24 N ATOM 446 CA VAL A 168 0.651 -0.935 -8.581 1.00 65.30 C ATOM 447 C VAL A 168 -0.234 -0.433 -9.741 1.00 75.24 C ATOM 448 O VAL A 168 -0.009 0.645 -10.282 1.00 23.44 O ATOM 449 CB VAL A 168 1.898 -1.742 -9.092 1.00 41.52 C ATOM 450 CG1 VAL A 168 1.519 -2.952 -9.923 1.00 43.14 C ATOM 451 CG2 VAL A 168 2.870 -0.844 -9.843 1.00 72.42 C ATOM 0 H VAL A 168 0.071 -2.648 -7.516 1.00 41.24 H new ATOM 0 HA VAL A 168 1.061 -0.061 -8.075 1.00 65.30 H new ATOM 0 HB VAL A 168 2.401 -2.122 -8.203 1.00 41.52 H new ATOM 0 HG11 VAL A 168 2.423 -3.468 -10.247 1.00 43.14 H new ATOM 0 HG12 VAL A 168 0.910 -3.628 -9.324 1.00 43.14 H new ATOM 0 HG13 VAL A 168 0.952 -2.630 -10.797 1.00 43.14 H new ATOM 0 HG21 VAL A 168 3.721 -1.433 -10.183 1.00 72.42 H new ATOM 0 HG22 VAL A 168 2.367 -0.403 -10.704 1.00 72.42 H new ATOM 0 HG23 VAL A 168 3.219 -0.051 -9.181 1.00 72.42 H new ATOM 461 N GLN A 169 -1.278 -1.177 -10.059 1.00 12.43 N ATOM 462 CA GLN A 169 -2.191 -0.783 -11.115 1.00 44.23 C ATOM 463 C GLN A 169 -3.123 0.338 -10.692 1.00 33.44 C ATOM 464 O GLN A 169 -3.531 1.136 -11.517 1.00 2.12 O ATOM 465 CB GLN A 169 -2.988 -1.972 -11.651 1.00 32.41 C ATOM 466 CG GLN A 169 -2.154 -3.008 -12.391 1.00 61.31 C ATOM 467 CD GLN A 169 -1.527 -2.462 -13.657 1.00 24.51 C ATOM 468 OE1 GLN A 169 -2.064 -1.573 -14.300 1.00 0.24 O ATOM 469 NE2 GLN A 169 -0.391 -2.981 -14.021 1.00 21.23 N ATOM 0 H GLN A 169 -1.514 -2.057 -9.601 1.00 12.43 H new ATOM 0 HA GLN A 169 -1.568 -0.400 -11.923 1.00 44.23 H new ATOM 0 HB2 GLN A 169 -3.494 -2.459 -10.818 1.00 32.41 H new ATOM 0 HB3 GLN A 169 -3.763 -1.601 -12.322 1.00 32.41 H new ATOM 0 HG2 GLN A 169 -1.368 -3.374 -11.730 1.00 61.31 H new ATOM 0 HG3 GLN A 169 -2.783 -3.862 -12.642 1.00 61.31 H new ATOM 0 HE21 GLN A 169 0.033 -3.722 -13.463 1.00 21.23 H new ATOM 0 HE22 GLN A 169 0.076 -2.647 -14.864 1.00 21.23 H new ATOM 478 N ARG A 170 -3.486 0.399 -9.430 1.00 40.00 N ATOM 479 CA ARG A 170 -4.365 1.460 -8.985 1.00 5.02 C ATOM 480 C ARG A 170 -3.594 2.708 -8.632 1.00 62.33 C ATOM 481 O ARG A 170 -4.078 3.813 -8.806 1.00 22.34 O ATOM 482 CB ARG A 170 -5.286 1.011 -7.851 1.00 1.34 C ATOM 483 CG ARG A 170 -6.224 -0.169 -8.191 1.00 22.34 C ATOM 484 CD ARG A 170 -7.203 0.123 -9.346 1.00 0.15 C ATOM 485 NE ARG A 170 -6.532 0.284 -10.657 1.00 12.21 N ATOM 486 CZ ARG A 170 -7.133 0.262 -11.847 1.00 54.40 C ATOM 487 NH1 ARG A 170 -8.428 -0.024 -11.945 1.00 15.24 N ATOM 488 NH2 ARG A 170 -6.423 0.517 -12.949 1.00 72.51 N ATOM 0 H ARG A 170 -3.194 -0.258 -8.706 1.00 40.00 H new ATOM 0 HA ARG A 170 -5.013 1.711 -9.825 1.00 5.02 H new ATOM 0 HB2 ARG A 170 -4.672 0.731 -6.995 1.00 1.34 H new ATOM 0 HB3 ARG A 170 -5.895 1.860 -7.542 1.00 1.34 H new ATOM 0 HG2 ARG A 170 -5.619 -1.038 -8.451 1.00 22.34 H new ATOM 0 HG3 ARG A 170 -6.796 -0.434 -7.301 1.00 22.34 H new ATOM 0 HD2 ARG A 170 -7.927 -0.689 -9.414 1.00 0.15 H new ATOM 0 HD3 ARG A 170 -7.762 1.030 -9.118 1.00 0.15 H new ATOM 0 HE ARG A 170 -5.522 0.424 -10.649 1.00 12.21 H new ATOM 0 HH11 ARG A 170 -8.970 -0.229 -11.106 1.00 15.24 H new ATOM 0 HH12 ARG A 170 -8.879 -0.038 -12.860 1.00 15.24 H new ATOM 0 HH21 ARG A 170 -5.427 0.727 -12.877 1.00 72.51 H new ATOM 0 HH22 ARG A 170 -6.876 0.502 -13.863 1.00 72.51 H new ATOM 502 N THR A 171 -2.389 2.540 -8.183 1.00 30.14 N ATOM 503 CA THR A 171 -1.566 3.671 -7.865 1.00 22.44 C ATOM 504 C THR A 171 -1.108 4.374 -9.136 1.00 12.44 C ATOM 505 O THR A 171 -1.107 5.605 -9.201 1.00 52.44 O ATOM 506 CB THR A 171 -0.364 3.255 -7.019 1.00 43.11 C ATOM 507 OG1 THR A 171 0.282 2.142 -7.644 1.00 33.45 O ATOM 508 CG2 THR A 171 -0.803 2.872 -5.614 1.00 51.33 C ATOM 0 H THR A 171 -1.951 1.632 -8.028 1.00 30.14 H new ATOM 0 HA THR A 171 -2.165 4.369 -7.280 1.00 22.44 H new ATOM 0 HB THR A 171 0.327 4.094 -6.945 1.00 43.11 H new ATOM 0 HG1 THR A 171 -0.033 1.309 -7.235 1.00 33.45 H new ATOM 0 HG21 THR A 171 0.068 2.579 -5.028 1.00 51.33 H new ATOM 0 HG22 THR A 171 -1.289 3.724 -5.140 1.00 51.33 H new ATOM 0 HG23 THR A 171 -1.503 2.038 -5.666 1.00 51.33 H new ATOM 516 N SER A 172 -0.793 3.585 -10.167 1.00 70.10 N ATOM 517 CA SER A 172 -0.309 4.122 -11.410 1.00 75.11 C ATOM 518 C SER A 172 -1.403 4.973 -12.072 1.00 3.31 C ATOM 519 O SER A 172 -1.126 6.042 -12.629 1.00 3.22 O ATOM 520 CB SER A 172 0.142 2.980 -12.326 1.00 45.15 C ATOM 521 OG SER A 172 0.869 3.451 -13.446 1.00 71.10 O ATOM 0 H SER A 172 -0.870 2.568 -10.150 1.00 70.10 H new ATOM 0 HA SER A 172 0.551 4.766 -11.223 1.00 75.11 H new ATOM 0 HB2 SER A 172 0.761 2.284 -11.759 1.00 45.15 H new ATOM 0 HB3 SER A 172 -0.731 2.424 -12.669 1.00 45.15 H new ATOM 0 HG SER A 172 1.139 2.692 -14.003 1.00 71.10 H new ATOM 527 N SER A 173 -2.641 4.523 -11.982 1.00 60.51 N ATOM 528 CA SER A 173 -3.740 5.264 -12.533 1.00 40.33 C ATOM 529 C SER A 173 -4.109 6.481 -11.650 1.00 32.10 C ATOM 530 O SER A 173 -4.283 7.597 -12.155 1.00 40.51 O ATOM 531 CB SER A 173 -4.933 4.330 -12.734 1.00 25.34 C ATOM 532 OG SER A 173 -5.216 3.613 -11.541 1.00 53.43 O ATOM 0 H SER A 173 -2.902 3.646 -11.531 1.00 60.51 H new ATOM 0 HA SER A 173 -3.442 5.666 -13.501 1.00 40.33 H new ATOM 0 HB2 SER A 173 -5.807 4.908 -13.033 1.00 25.34 H new ATOM 0 HB3 SER A 173 -4.721 3.631 -13.543 1.00 25.34 H new ATOM 0 HG SER A 173 -4.699 2.781 -11.529 1.00 53.43 H new ATOM 538 N ASN A 174 -4.159 6.274 -10.328 1.00 34.12 N ATOM 539 CA ASN A 174 -4.589 7.317 -9.369 1.00 45.41 C ATOM 540 C ASN A 174 -3.497 8.334 -9.048 1.00 70.11 C ATOM 541 O ASN A 174 -3.703 9.217 -8.211 1.00 72.12 O ATOM 542 CB ASN A 174 -5.122 6.720 -8.044 1.00 0.31 C ATOM 543 CG ASN A 174 -6.464 5.992 -8.138 1.00 21.12 C ATOM 544 OD1 ASN A 174 -7.238 5.986 -7.180 1.00 45.34 O ATOM 545 ND2 ASN A 174 -6.741 5.349 -9.250 1.00 25.21 N ATOM 0 H ASN A 174 -3.906 5.389 -9.889 1.00 34.12 H new ATOM 0 HA ASN A 174 -5.399 7.836 -9.882 1.00 45.41 H new ATOM 0 HB2 ASN A 174 -4.378 6.024 -7.655 1.00 0.31 H new ATOM 0 HB3 ASN A 174 -5.217 7.526 -7.316 1.00 0.31 H new ATOM 0 HD21 ASN A 174 -7.614 4.829 -9.334 1.00 25.21 H new ATOM 0 HD22 ASN A 174 -6.083 5.370 -10.029 1.00 25.21 H new ATOM 552 N ASP A 175 -2.348 8.203 -9.701 1.00 14.12 N ATOM 553 CA ASP A 175 -1.194 9.114 -9.524 1.00 32.24 C ATOM 554 C ASP A 175 -0.601 9.005 -8.136 1.00 11.23 C ATOM 555 O ASP A 175 -0.097 9.982 -7.561 1.00 33.01 O ATOM 556 CB ASP A 175 -1.521 10.585 -9.865 1.00 65.01 C ATOM 557 CG ASP A 175 -1.765 10.816 -11.332 1.00 21.33 C ATOM 558 OD1 ASP A 175 -0.795 10.805 -12.117 1.00 42.44 O ATOM 559 OD2 ASP A 175 -2.926 11.034 -11.735 1.00 55.34 O ATOM 0 H ASP A 175 -2.177 7.459 -10.377 1.00 14.12 H new ATOM 0 HA ASP A 175 -0.446 8.783 -10.244 1.00 32.24 H new ATOM 0 HB2 ASP A 175 -2.403 10.893 -9.304 1.00 65.01 H new ATOM 0 HB3 ASP A 175 -0.697 11.219 -9.537 1.00 65.01 H new ATOM 564 N ILE A 176 -0.603 7.819 -7.632 1.00 24.13 N ATOM 565 CA ILE A 176 -0.027 7.527 -6.362 1.00 31.03 C ATOM 566 C ILE A 176 1.301 6.837 -6.633 1.00 52.12 C ATOM 567 O ILE A 176 1.342 5.810 -7.300 1.00 64.42 O ATOM 568 CB ILE A 176 -0.937 6.586 -5.534 1.00 21.44 C ATOM 569 CG1 ILE A 176 -2.352 7.167 -5.410 1.00 1.55 C ATOM 570 CG2 ILE A 176 -0.335 6.369 -4.153 1.00 21.22 C ATOM 571 CD1 ILE A 176 -3.335 6.262 -4.689 1.00 54.44 C ATOM 0 H ILE A 176 -1.012 7.009 -8.098 1.00 24.13 H new ATOM 0 HA ILE A 176 0.100 8.445 -5.788 1.00 31.03 H new ATOM 0 HB ILE A 176 -1.006 5.628 -6.049 1.00 21.44 H new ATOM 0 HG12 ILE A 176 -2.297 8.119 -4.882 1.00 1.55 H new ATOM 0 HG13 ILE A 176 -2.735 7.378 -6.408 1.00 1.55 H new ATOM 0 HG21 ILE A 176 -0.979 5.706 -3.575 1.00 21.22 H new ATOM 0 HG22 ILE A 176 0.652 5.918 -4.253 1.00 21.22 H new ATOM 0 HG23 ILE A 176 -0.246 7.327 -3.640 1.00 21.22 H new ATOM 0 HD11 ILE A 176 -4.310 6.747 -4.644 1.00 54.44 H new ATOM 0 HD12 ILE A 176 -3.423 5.318 -5.227 1.00 54.44 H new ATOM 0 HD13 ILE A 176 -2.978 6.070 -3.677 1.00 54.44 H new ATOM 583 N THR A 177 2.352 7.406 -6.162 1.00 23.34 N ATOM 584 CA THR A 177 3.666 6.883 -6.389 1.00 40.22 C ATOM 585 C THR A 177 4.024 5.885 -5.281 1.00 61.11 C ATOM 586 O THR A 177 3.641 6.075 -4.139 1.00 4.02 O ATOM 587 CB THR A 177 4.679 8.054 -6.391 1.00 65.32 C ATOM 588 OG1 THR A 177 4.308 9.016 -7.403 1.00 71.31 O ATOM 589 CG2 THR A 177 6.094 7.571 -6.653 1.00 24.41 C ATOM 0 H THR A 177 2.332 8.258 -5.601 1.00 23.34 H new ATOM 0 HA THR A 177 3.698 6.369 -7.350 1.00 40.22 H new ATOM 0 HB THR A 177 4.655 8.516 -5.404 1.00 65.32 H new ATOM 0 HG1 THR A 177 4.950 9.757 -7.401 1.00 71.31 H new ATOM 0 HG21 THR A 177 6.776 8.421 -6.647 1.00 24.41 H new ATOM 0 HG22 THR A 177 6.387 6.865 -5.876 1.00 24.41 H new ATOM 0 HG23 THR A 177 6.136 7.079 -7.625 1.00 24.41 H new ATOM 597 N LEU A 178 4.705 4.821 -5.616 1.00 11.22 N ATOM 598 CA LEU A 178 5.171 3.900 -4.601 1.00 52.22 C ATOM 599 C LEU A 178 6.518 4.351 -4.090 1.00 74.52 C ATOM 600 O LEU A 178 7.429 4.627 -4.865 1.00 71.21 O ATOM 601 CB LEU A 178 5.285 2.436 -5.100 1.00 0.20 C ATOM 602 CG LEU A 178 3.989 1.635 -5.318 1.00 43.11 C ATOM 603 CD1 LEU A 178 3.153 2.218 -6.417 1.00 32.14 C ATOM 604 CD2 LEU A 178 4.306 0.183 -5.619 1.00 75.01 C ATOM 0 H LEU A 178 4.950 4.568 -6.573 1.00 11.22 H new ATOM 0 HA LEU A 178 4.424 3.910 -3.807 1.00 52.22 H new ATOM 0 HB2 LEU A 178 5.831 2.448 -6.044 1.00 0.20 H new ATOM 0 HB3 LEU A 178 5.898 1.888 -4.384 1.00 0.20 H new ATOM 0 HG LEU A 178 3.412 1.691 -4.395 1.00 43.11 H new ATOM 0 HD11 LEU A 178 2.247 1.624 -6.539 1.00 32.14 H new ATOM 0 HD12 LEU A 178 2.883 3.243 -6.164 1.00 32.14 H new ATOM 0 HD13 LEU A 178 3.720 2.211 -7.348 1.00 32.14 H new ATOM 0 HD21 LEU A 178 3.378 -0.368 -5.770 1.00 75.01 H new ATOM 0 HD22 LEU A 178 4.915 0.123 -6.521 1.00 75.01 H new ATOM 0 HD23 LEU A 178 4.853 -0.251 -4.782 1.00 75.01 H new ATOM 616 N ARG A 179 6.630 4.439 -2.806 1.00 74.44 N ATOM 617 CA ARG A 179 7.865 4.778 -2.149 1.00 23.34 C ATOM 618 C ARG A 179 8.613 3.451 -1.971 1.00 31.13 C ATOM 619 O ARG A 179 9.840 3.385 -1.996 1.00 12.14 O ATOM 620 CB ARG A 179 7.521 5.430 -0.791 1.00 53.35 C ATOM 621 CG ARG A 179 8.596 6.282 -0.092 1.00 61.23 C ATOM 622 CD ARG A 179 9.859 5.523 0.254 1.00 13.14 C ATOM 623 NE ARG A 179 10.568 6.169 1.348 1.00 41.22 N ATOM 624 CZ ARG A 179 11.862 6.419 1.423 1.00 31.33 C ATOM 625 NH1 ARG A 179 12.672 6.120 0.413 1.00 74.32 N ATOM 626 NH2 ARG A 179 12.349 6.966 2.529 1.00 51.00 N ATOM 0 H ARG A 179 5.854 4.275 -2.164 1.00 74.44 H new ATOM 0 HA ARG A 179 8.481 5.483 -2.708 1.00 23.34 H new ATOM 0 HB2 ARG A 179 6.643 6.059 -0.938 1.00 53.35 H new ATOM 0 HB3 ARG A 179 7.231 4.634 -0.105 1.00 53.35 H new ATOM 0 HG2 ARG A 179 8.855 7.122 -0.737 1.00 61.23 H new ATOM 0 HG3 ARG A 179 8.175 6.701 0.822 1.00 61.23 H new ATOM 0 HD2 ARG A 179 9.609 4.499 0.532 1.00 13.14 H new ATOM 0 HD3 ARG A 179 10.506 5.467 -0.621 1.00 13.14 H new ATOM 0 HE ARG A 179 10.003 6.461 2.145 1.00 41.22 H new ATOM 0 HH11 ARG A 179 12.296 5.692 -0.433 1.00 74.32 H new ATOM 0 HH12 ARG A 179 13.670 6.318 0.484 1.00 74.32 H new ATOM 0 HH21 ARG A 179 11.726 7.187 3.306 1.00 51.00 H new ATOM 0 HH22 ARG A 179 13.347 7.165 2.603 1.00 51.00 H new ATOM 640 N GLY A 180 7.843 2.408 -1.802 1.00 1.21 N ATOM 641 CA GLY A 180 8.367 1.077 -1.702 1.00 21.43 C ATOM 642 C GLY A 180 7.359 0.179 -1.058 1.00 62.34 C ATOM 643 O GLY A 180 6.298 0.642 -0.648 1.00 2.02 O ATOM 0 H GLY A 180 6.827 2.462 -1.730 1.00 1.21 H new ATOM 0 HA2 GLY A 180 8.620 0.701 -2.693 1.00 21.43 H new ATOM 0 HA3 GLY A 180 9.287 1.082 -1.118 1.00 21.43 H new ATOM 647 N ILE A 181 7.656 -1.082 -0.977 1.00 54.13 N ATOM 648 CA ILE A 181 6.770 -2.038 -0.359 1.00 73.33 C ATOM 649 C ILE A 181 7.574 -2.916 0.575 1.00 51.14 C ATOM 650 O ILE A 181 8.503 -3.612 0.149 1.00 62.12 O ATOM 651 CB ILE A 181 6.028 -2.949 -1.406 1.00 11.53 C ATOM 652 CG1 ILE A 181 5.171 -2.104 -2.369 1.00 32.41 C ATOM 653 CG2 ILE A 181 5.151 -3.988 -0.692 1.00 53.14 C ATOM 654 CD1 ILE A 181 4.446 -2.913 -3.433 1.00 44.13 C ATOM 0 H ILE A 181 8.521 -1.485 -1.337 1.00 54.13 H new ATOM 0 HA ILE A 181 6.007 -1.476 0.180 1.00 73.33 H new ATOM 0 HB ILE A 181 6.786 -3.470 -1.991 1.00 11.53 H new ATOM 0 HG12 ILE A 181 4.436 -1.547 -1.789 1.00 32.41 H new ATOM 0 HG13 ILE A 181 5.812 -1.371 -2.860 1.00 32.41 H new ATOM 0 HG21 ILE A 181 4.646 -4.608 -1.432 1.00 53.14 H new ATOM 0 HG22 ILE A 181 5.775 -4.616 -0.057 1.00 53.14 H new ATOM 0 HG23 ILE A 181 4.408 -3.478 -0.079 1.00 53.14 H new ATOM 0 HD11 ILE A 181 3.867 -2.243 -4.068 1.00 44.13 H new ATOM 0 HD12 ILE A 181 5.174 -3.450 -4.041 1.00 44.13 H new ATOM 0 HD13 ILE A 181 3.777 -3.627 -2.954 1.00 44.13 H new ATOM 666 N ARG A 182 7.257 -2.865 1.830 1.00 4.15 N ATOM 667 CA ARG A 182 7.893 -3.718 2.786 1.00 31.30 C ATOM 668 C ARG A 182 6.957 -4.872 3.025 1.00 64.30 C ATOM 669 O ARG A 182 5.879 -4.691 3.572 1.00 11.53 O ATOM 670 CB ARG A 182 8.159 -2.976 4.104 1.00 5.33 C ATOM 671 CG ARG A 182 9.081 -1.766 3.988 1.00 43.45 C ATOM 672 CD ARG A 182 10.446 -2.149 3.447 1.00 42.34 C ATOM 673 NE ARG A 182 11.368 -1.015 3.419 1.00 20.11 N ATOM 674 CZ ARG A 182 12.582 -1.022 2.868 1.00 74.10 C ATOM 675 NH1 ARG A 182 13.032 -2.108 2.240 1.00 52.30 N ATOM 676 NH2 ARG A 182 13.347 0.062 2.948 1.00 35.45 N ATOM 0 H ARG A 182 6.555 -2.236 2.220 1.00 4.15 H new ATOM 0 HA ARG A 182 8.858 -4.056 2.409 1.00 31.30 H new ATOM 0 HB2 ARG A 182 7.205 -2.649 4.518 1.00 5.33 H new ATOM 0 HB3 ARG A 182 8.592 -3.677 4.817 1.00 5.33 H new ATOM 0 HG2 ARG A 182 8.626 -1.023 3.333 1.00 43.45 H new ATOM 0 HG3 ARG A 182 9.195 -1.301 4.967 1.00 43.45 H new ATOM 0 HD2 ARG A 182 10.869 -2.943 4.062 1.00 42.34 H new ATOM 0 HD3 ARG A 182 10.336 -2.550 2.440 1.00 42.34 H new ATOM 0 HE ARG A 182 11.057 -0.148 3.857 1.00 20.11 H new ATOM 0 HH11 ARG A 182 12.447 -2.941 2.179 1.00 52.30 H new ATOM 0 HH12 ARG A 182 13.962 -2.106 1.821 1.00 52.30 H new ATOM 0 HH21 ARG A 182 13.004 0.894 3.429 1.00 35.45 H new ATOM 0 HH22 ARG A 182 14.277 0.062 2.528 1.00 35.45 H new ATOM 690 N THR A 183 7.342 -6.031 2.605 1.00 5.45 N ATOM 691 CA THR A 183 6.493 -7.171 2.742 1.00 1.31 C ATOM 692 C THR A 183 7.157 -8.199 3.659 1.00 34.14 C ATOM 693 O THR A 183 8.314 -8.599 3.445 1.00 24.53 O ATOM 694 CB THR A 183 6.093 -7.762 1.333 1.00 31.45 C ATOM 695 OG1 THR A 183 5.151 -8.826 1.466 1.00 41.23 O ATOM 696 CG2 THR A 183 7.305 -8.252 0.541 1.00 54.51 C ATOM 0 H THR A 183 8.242 -6.216 2.162 1.00 5.45 H new ATOM 0 HA THR A 183 5.556 -6.871 3.211 1.00 1.31 H new ATOM 0 HB THR A 183 5.635 -6.942 0.779 1.00 31.45 H new ATOM 0 HG1 THR A 183 4.920 -9.171 0.578 1.00 41.23 H new ATOM 0 HG21 THR A 183 6.976 -8.649 -0.419 1.00 54.51 H new ATOM 0 HG22 THR A 183 7.991 -7.421 0.375 1.00 54.51 H new ATOM 0 HG23 THR A 183 7.814 -9.036 1.102 1.00 54.51 H new ATOM 704 N GLY A 184 6.473 -8.561 4.701 1.00 2.32 N ATOM 705 CA GLY A 184 7.002 -9.482 5.643 1.00 31.23 C ATOM 706 C GLY A 184 5.925 -10.376 6.182 1.00 70.21 C ATOM 707 O GLY A 184 4.807 -9.915 6.405 1.00 31.35 O ATOM 0 H GLY A 184 5.535 -8.224 4.917 1.00 2.32 H new ATOM 0 HA2 GLY A 184 7.778 -10.085 5.172 1.00 31.23 H new ATOM 0 HA3 GLY A 184 7.474 -8.939 6.462 1.00 31.23 H new ATOM 711 N PRO A 185 6.208 -11.677 6.327 1.00 14.40 N ATOM 712 CA PRO A 185 5.276 -12.667 6.887 1.00 34.53 C ATOM 713 C PRO A 185 4.583 -12.188 8.171 1.00 33.44 C ATOM 714 O PRO A 185 5.189 -11.515 9.012 1.00 34.41 O ATOM 715 CB PRO A 185 6.190 -13.828 7.218 1.00 25.54 C ATOM 716 CG PRO A 185 7.266 -13.761 6.203 1.00 5.54 C ATOM 717 CD PRO A 185 7.475 -12.303 5.915 1.00 34.13 C ATOM 0 HA PRO A 185 4.466 -12.892 6.193 1.00 34.53 H new ATOM 0 HB2 PRO A 185 6.592 -13.740 8.227 1.00 25.54 H new ATOM 0 HB3 PRO A 185 5.657 -14.778 7.168 1.00 25.54 H new ATOM 0 HG2 PRO A 185 8.182 -14.220 6.575 1.00 5.54 H new ATOM 0 HG3 PRO A 185 6.983 -14.300 5.299 1.00 5.54 H new ATOM 0 HD2 PRO A 185 8.320 -11.902 6.475 1.00 34.13 H new ATOM 0 HD3 PRO A 185 7.682 -12.130 4.859 1.00 34.13 H new ATOM 725 N ALA A 186 3.327 -12.537 8.319 1.00 53.13 N ATOM 726 CA ALA A 186 2.556 -12.149 9.483 1.00 73.42 C ATOM 727 C ALA A 186 2.238 -13.359 10.315 1.00 0.30 C ATOM 728 O ALA A 186 1.378 -13.328 11.185 1.00 34.22 O ATOM 729 CB ALA A 186 1.293 -11.434 9.057 1.00 64.51 C ATOM 0 H ALA A 186 2.810 -13.096 7.640 1.00 53.13 H new ATOM 0 HA ALA A 186 3.145 -11.462 10.091 1.00 73.42 H new ATOM 0 HB1 ALA A 186 0.722 -11.147 9.940 1.00 64.51 H new ATOM 0 HB2 ALA A 186 1.554 -10.542 8.488 1.00 64.51 H new ATOM 0 HB3 ALA A 186 0.691 -12.097 8.435 1.00 64.51 H new ATOM 735 N GLY A 187 2.925 -14.416 10.025 1.00 23.20 N ATOM 736 CA GLY A 187 2.780 -15.608 10.741 1.00 53.41 C ATOM 737 C GLY A 187 3.169 -16.756 9.892 1.00 33.31 C ATOM 738 O GLY A 187 4.347 -17.003 9.672 1.00 25.43 O ATOM 0 H GLY A 187 3.609 -14.460 9.270 1.00 23.20 H new ATOM 0 HA2 GLY A 187 3.399 -15.581 11.638 1.00 53.41 H new ATOM 0 HA3 GLY A 187 1.747 -15.721 11.070 1.00 53.41 H new ATOM 742 N ASP A 188 2.193 -17.399 9.351 1.00 52.11 N ATOM 743 CA ASP A 188 2.414 -18.577 8.528 1.00 12.03 C ATOM 744 C ASP A 188 1.695 -18.448 7.214 1.00 12.15 C ATOM 745 O ASP A 188 2.320 -18.315 6.158 1.00 71.52 O ATOM 746 CB ASP A 188 1.956 -19.865 9.244 1.00 21.54 C ATOM 747 CG ASP A 188 2.783 -20.215 10.457 1.00 45.33 C ATOM 748 OD1 ASP A 188 3.830 -20.879 10.309 1.00 44.41 O ATOM 749 OD2 ASP A 188 2.395 -19.844 11.591 1.00 53.15 O ATOM 0 H ASP A 188 1.213 -17.137 9.456 1.00 52.11 H new ATOM 0 HA ASP A 188 3.487 -18.648 8.347 1.00 12.03 H new ATOM 0 HB2 ASP A 188 0.915 -19.751 9.546 1.00 21.54 H new ATOM 0 HB3 ASP A 188 1.994 -20.695 8.538 1.00 21.54 H new ATOM 754 N ASP A 189 0.384 -18.398 7.285 1.00 61.20 N ATOM 755 CA ASP A 189 -0.466 -18.379 6.101 1.00 11.11 C ATOM 756 C ASP A 189 -0.937 -16.951 5.826 1.00 74.31 C ATOM 757 O ASP A 189 -1.934 -16.699 5.171 1.00 31.43 O ATOM 758 CB ASP A 189 -1.641 -19.373 6.261 1.00 15.53 C ATOM 759 CG ASP A 189 -2.512 -19.549 5.004 1.00 62.45 C ATOM 760 OD1 ASP A 189 -1.969 -19.795 3.886 1.00 1.32 O ATOM 761 OD2 ASP A 189 -3.759 -19.486 5.121 1.00 42.42 O ATOM 0 H ASP A 189 -0.131 -18.369 8.165 1.00 61.20 H new ATOM 0 HA ASP A 189 0.105 -18.708 5.233 1.00 11.11 H new ATOM 0 HB2 ASP A 189 -1.240 -20.345 6.547 1.00 15.53 H new ATOM 0 HB3 ASP A 189 -2.275 -19.036 7.081 1.00 15.53 H new ATOM 766 N ASN A 190 -0.155 -16.019 6.306 1.00 62.52 N ATOM 767 CA ASN A 190 -0.375 -14.618 6.080 1.00 32.32 C ATOM 768 C ASN A 190 0.886 -13.856 6.080 1.00 15.21 C ATOM 769 O ASN A 190 1.834 -14.181 6.791 1.00 63.04 O ATOM 770 CB ASN A 190 -1.447 -13.961 6.971 1.00 31.11 C ATOM 771 CG ASN A 190 -1.623 -14.581 8.352 1.00 73.04 C ATOM 772 OD1 ASN A 190 -0.973 -14.049 9.348 1.00 64.24 O flip ATOM 773 ND2 ASN A 190 -2.378 -15.519 8.517 1.00 11.20 N flip ATOM 0 H ASN A 190 0.667 -16.219 6.875 1.00 62.52 H new ATOM 0 HA ASN A 190 -0.802 -14.574 5.078 1.00 32.32 H new ATOM 0 HB2 ASN A 190 -1.196 -12.907 7.094 1.00 31.11 H new ATOM 0 HB3 ASN A 190 -2.403 -14.002 6.449 1.00 31.11 H new ATOM 0 HD21 ASN A 190 -2.876 -15.919 7.722 1.00 11.20 H new ATOM 0 HD22 ASN A 190 -2.514 -15.906 9.451 1.00 11.20 H new ATOM 780 N ILE A 191 0.886 -12.851 5.287 1.00 71.12 N ATOM 781 CA ILE A 191 2.015 -11.996 5.047 1.00 63.23 C ATOM 782 C ILE A 191 1.508 -10.556 4.977 1.00 42.35 C ATOM 783 O ILE A 191 0.380 -10.310 4.537 1.00 33.10 O ATOM 784 CB ILE A 191 2.753 -12.410 3.717 1.00 30.11 C ATOM 785 CG1 ILE A 191 4.020 -11.574 3.480 1.00 73.44 C ATOM 786 CG2 ILE A 191 1.817 -12.318 2.510 1.00 63.35 C ATOM 787 CD1 ILE A 191 4.848 -12.026 2.287 1.00 43.02 C ATOM 0 H ILE A 191 0.061 -12.578 4.754 1.00 71.12 H new ATOM 0 HA ILE A 191 2.741 -12.090 5.854 1.00 63.23 H new ATOM 0 HB ILE A 191 3.059 -13.449 3.836 1.00 30.11 H new ATOM 0 HG12 ILE A 191 3.733 -10.532 3.336 1.00 73.44 H new ATOM 0 HG13 ILE A 191 4.641 -11.613 4.375 1.00 73.44 H new ATOM 0 HG21 ILE A 191 2.356 -12.610 1.609 1.00 63.35 H new ATOM 0 HG22 ILE A 191 0.967 -12.985 2.657 1.00 63.35 H new ATOM 0 HG23 ILE A 191 1.460 -11.294 2.404 1.00 63.35 H new ATOM 0 HD11 ILE A 191 5.724 -11.385 2.188 1.00 43.02 H new ATOM 0 HD12 ILE A 191 5.168 -13.057 2.436 1.00 43.02 H new ATOM 0 HD13 ILE A 191 4.246 -11.960 1.381 1.00 43.02 H new ATOM 799 N THR A 192 2.279 -9.639 5.461 1.00 30.30 N ATOM 800 CA THR A 192 1.878 -8.277 5.488 1.00 52.22 C ATOM 801 C THR A 192 2.678 -7.454 4.504 1.00 64.11 C ATOM 802 O THR A 192 3.908 -7.415 4.557 1.00 63.24 O ATOM 803 CB THR A 192 2.054 -7.709 6.887 1.00 44.50 C ATOM 804 OG1 THR A 192 1.382 -8.561 7.807 1.00 1.21 O ATOM 805 CG2 THR A 192 1.461 -6.337 6.976 1.00 0.01 C ATOM 0 H THR A 192 3.206 -9.816 5.849 1.00 30.30 H new ATOM 0 HA THR A 192 0.827 -8.230 5.204 1.00 52.22 H new ATOM 0 HB THR A 192 3.117 -7.648 7.118 1.00 44.50 H new ATOM 0 HG1 THR A 192 1.487 -8.209 8.716 1.00 1.21 H new ATOM 0 HG21 THR A 192 1.597 -5.947 7.985 1.00 0.01 H new ATOM 0 HG22 THR A 192 1.957 -5.679 6.263 1.00 0.01 H new ATOM 0 HG23 THR A 192 0.397 -6.385 6.746 1.00 0.01 H new ATOM 813 N LEU A 193 1.980 -6.828 3.615 1.00 73.45 N ATOM 814 CA LEU A 193 2.571 -5.943 2.661 1.00 73.25 C ATOM 815 C LEU A 193 2.316 -4.541 3.125 1.00 0.34 C ATOM 816 O LEU A 193 1.169 -4.106 3.167 1.00 32.23 O ATOM 817 CB LEU A 193 1.954 -6.080 1.248 1.00 22.44 C ATOM 818 CG LEU A 193 2.135 -7.382 0.452 1.00 53.53 C ATOM 819 CD1 LEU A 193 1.475 -8.568 1.132 1.00 41.32 C ATOM 820 CD2 LEU A 193 1.566 -7.190 -0.948 1.00 3.05 C ATOM 0 H LEU A 193 0.968 -6.917 3.528 1.00 73.45 H new ATOM 0 HA LEU A 193 3.631 -6.189 2.592 1.00 73.25 H new ATOM 0 HB2 LEU A 193 0.882 -5.906 1.344 1.00 22.44 H new ATOM 0 HB3 LEU A 193 2.355 -5.270 0.639 1.00 22.44 H new ATOM 0 HG LEU A 193 3.201 -7.603 0.398 1.00 53.53 H new ATOM 0 HD11 LEU A 193 1.630 -9.464 0.532 1.00 41.32 H new ATOM 0 HD12 LEU A 193 1.914 -8.712 2.119 1.00 41.32 H new ATOM 0 HD13 LEU A 193 0.406 -8.380 1.234 1.00 41.32 H new ATOM 0 HD21 LEU A 193 1.690 -8.109 -1.520 1.00 3.05 H new ATOM 0 HD22 LEU A 193 0.506 -6.945 -0.880 1.00 3.05 H new ATOM 0 HD23 LEU A 193 2.094 -6.378 -1.447 1.00 3.05 H new ATOM 832 N THR A 194 3.322 -3.863 3.526 1.00 15.34 N ATOM 833 CA THR A 194 3.175 -2.495 3.840 1.00 63.41 C ATOM 834 C THR A 194 3.639 -1.714 2.628 1.00 71.34 C ATOM 835 O THR A 194 4.834 -1.668 2.319 1.00 60.23 O ATOM 836 CB THR A 194 3.979 -2.100 5.099 1.00 50.03 C ATOM 837 OG1 THR A 194 3.623 -2.979 6.194 1.00 42.43 O ATOM 838 CG2 THR A 194 3.664 -0.662 5.497 1.00 31.24 C ATOM 0 H THR A 194 4.264 -4.236 3.645 1.00 15.34 H new ATOM 0 HA THR A 194 2.133 -2.273 4.073 1.00 63.41 H new ATOM 0 HB THR A 194 5.043 -2.188 4.878 1.00 50.03 H new ATOM 0 HG1 THR A 194 4.391 -3.081 6.794 1.00 42.43 H new ATOM 0 HG21 THR A 194 4.237 -0.397 6.385 1.00 31.24 H new ATOM 0 HG22 THR A 194 3.930 0.008 4.680 1.00 31.24 H new ATOM 0 HG23 THR A 194 2.599 -0.569 5.711 1.00 31.24 H new ATOM 846 N ALA A 195 2.702 -1.166 1.921 1.00 33.33 N ATOM 847 CA ALA A 195 2.988 -0.430 0.736 1.00 34.12 C ATOM 848 C ALA A 195 3.084 1.018 1.081 1.00 15.13 C ATOM 849 O ALA A 195 2.120 1.622 1.557 1.00 61.43 O ATOM 850 CB ALA A 195 1.915 -0.668 -0.315 1.00 55.43 C ATOM 0 H ALA A 195 1.710 -1.219 2.154 1.00 33.33 H new ATOM 0 HA ALA A 195 3.937 -0.765 0.317 1.00 34.12 H new ATOM 0 HB1 ALA A 195 2.152 -0.097 -1.213 1.00 55.43 H new ATOM 0 HB2 ALA A 195 1.875 -1.729 -0.560 1.00 55.43 H new ATOM 0 HB3 ALA A 195 0.948 -0.349 0.074 1.00 55.43 H new ATOM 856 N HIS A 196 4.240 1.560 0.886 1.00 33.54 N ATOM 857 CA HIS A 196 4.503 2.926 1.188 1.00 73.13 C ATOM 858 C HIS A 196 4.165 3.696 -0.057 1.00 45.45 C ATOM 859 O HIS A 196 4.826 3.546 -1.082 1.00 12.15 O ATOM 860 CB HIS A 196 5.991 3.121 1.552 1.00 55.24 C ATOM 861 CG HIS A 196 6.484 2.364 2.772 1.00 54.11 C ATOM 862 ND1 HIS A 196 7.427 2.857 3.630 1.00 70.42 N ATOM 863 CD2 HIS A 196 6.190 1.119 3.231 1.00 11.55 C ATOM 864 CE1 HIS A 196 7.680 1.937 4.559 1.00 14.23 C ATOM 865 NE2 HIS A 196 6.952 0.855 4.365 1.00 34.23 N ATOM 0 H HIS A 196 5.042 1.057 0.506 1.00 33.54 H new ATOM 0 HA HIS A 196 3.916 3.266 2.041 1.00 73.13 H new ATOM 0 HB2 HIS A 196 6.596 2.823 0.696 1.00 55.24 H new ATOM 0 HB3 HIS A 196 6.169 4.184 1.713 1.00 55.24 H new ATOM 0 HD2 HIS A 196 5.477 0.441 2.786 1.00 11.55 H new ATOM 0 HE1 HIS A 196 8.388 2.061 5.365 1.00 14.23 H new ATOM 0 HE2 HIS A 196 6.948 0.004 4.927 1.00 34.23 H new ATOM 873 N LEU A 197 3.124 4.441 -0.003 1.00 52.43 N ATOM 874 CA LEU A 197 2.637 5.150 -1.141 1.00 73.53 C ATOM 875 C LEU A 197 2.757 6.640 -0.908 1.00 64.52 C ATOM 876 O LEU A 197 2.696 7.105 0.217 1.00 54.33 O ATOM 877 CB LEU A 197 1.171 4.782 -1.375 1.00 73.45 C ATOM 878 CG LEU A 197 0.861 3.291 -1.570 1.00 13.23 C ATOM 879 CD1 LEU A 197 -0.627 3.076 -1.790 1.00 20.35 C ATOM 880 CD2 LEU A 197 1.662 2.716 -2.728 1.00 0.34 C ATOM 0 H LEU A 197 2.573 4.582 0.844 1.00 52.43 H new ATOM 0 HA LEU A 197 3.227 4.879 -2.017 1.00 73.53 H new ATOM 0 HB2 LEU A 197 0.589 5.143 -0.527 1.00 73.45 H new ATOM 0 HB3 LEU A 197 0.820 5.321 -2.255 1.00 73.45 H new ATOM 0 HG LEU A 197 1.153 2.764 -0.661 1.00 13.23 H new ATOM 0 HD11 LEU A 197 -0.825 2.013 -1.926 1.00 20.35 H new ATOM 0 HD12 LEU A 197 -1.179 3.440 -0.924 1.00 20.35 H new ATOM 0 HD13 LEU A 197 -0.946 3.621 -2.679 1.00 20.35 H new ATOM 0 HD21 LEU A 197 1.424 1.659 -2.845 1.00 0.34 H new ATOM 0 HD22 LEU A 197 1.410 3.249 -3.645 1.00 0.34 H new ATOM 0 HD23 LEU A 197 2.727 2.828 -2.525 1.00 0.34 H new ATOM 892 N LEU A 198 2.955 7.358 -1.954 1.00 22.15 N ATOM 893 CA LEU A 198 3.054 8.791 -1.917 1.00 2.24 C ATOM 894 C LEU A 198 1.969 9.346 -2.814 1.00 4.20 C ATOM 895 O LEU A 198 1.987 9.111 -4.030 1.00 71.11 O ATOM 896 CB LEU A 198 4.408 9.234 -2.471 1.00 55.42 C ATOM 897 CG LEU A 198 5.657 8.655 -1.823 1.00 62.43 C ATOM 898 CD1 LEU A 198 6.888 9.109 -2.579 1.00 64.14 C ATOM 899 CD2 LEU A 198 5.749 9.063 -0.368 1.00 4.31 C ATOM 0 H LEU A 198 3.057 6.964 -2.890 1.00 22.15 H new ATOM 0 HA LEU A 198 2.950 9.147 -0.892 1.00 2.24 H new ATOM 0 HB2 LEU A 198 4.434 8.986 -3.532 1.00 55.42 H new ATOM 0 HB3 LEU A 198 4.463 10.320 -2.396 1.00 55.42 H new ATOM 0 HG LEU A 198 5.597 7.567 -1.864 1.00 62.43 H new ATOM 0 HD11 LEU A 198 7.778 8.691 -2.109 1.00 64.14 H new ATOM 0 HD12 LEU A 198 6.828 8.766 -3.612 1.00 64.14 H new ATOM 0 HD13 LEU A 198 6.946 10.197 -2.561 1.00 64.14 H new ATOM 0 HD21 LEU A 198 6.650 8.637 0.073 1.00 4.31 H new ATOM 0 HD22 LEU A 198 5.789 10.150 -0.297 1.00 4.31 H new ATOM 0 HD23 LEU A 198 4.874 8.696 0.169 1.00 4.31 H new ATOM 911 N MET A 199 1.030 10.041 -2.260 1.00 24.42 N ATOM 912 CA MET A 199 -0.047 10.562 -3.066 1.00 24.10 C ATOM 913 C MET A 199 0.010 12.062 -3.156 1.00 3.34 C ATOM 914 O MET A 199 0.253 12.743 -2.168 1.00 3.24 O ATOM 915 CB MET A 199 -1.408 10.081 -2.556 1.00 61.01 C ATOM 916 CG MET A 199 -2.581 10.458 -3.451 1.00 64.51 C ATOM 917 SD MET A 199 -4.152 9.807 -2.852 1.00 31.43 S ATOM 918 CE MET A 199 -5.200 10.149 -4.258 1.00 31.44 C ATOM 0 H MET A 199 0.978 10.264 -1.266 1.00 24.42 H new ATOM 0 HA MET A 199 0.080 10.171 -4.076 1.00 24.10 H new ATOM 0 HB2 MET A 199 -1.381 8.997 -2.450 1.00 61.01 H new ATOM 0 HB3 MET A 199 -1.577 10.494 -1.562 1.00 61.01 H new ATOM 0 HG2 MET A 199 -2.645 11.544 -3.520 1.00 64.51 H new ATOM 0 HG3 MET A 199 -2.398 10.085 -4.459 1.00 64.51 H new ATOM 0 HE1 MET A 199 -6.111 9.554 -4.186 1.00 31.44 H new ATOM 0 HE2 MET A 199 -5.458 11.208 -4.270 1.00 31.44 H new ATOM 0 HE3 MET A 199 -4.671 9.894 -5.176 1.00 31.44 H new ATOM 928 N VAL A 200 -0.159 12.562 -4.356 1.00 62.32 N ATOM 929 CA VAL A 200 -0.193 13.990 -4.604 1.00 52.35 C ATOM 930 C VAL A 200 -1.488 14.522 -4.024 1.00 12.13 C ATOM 931 O VAL A 200 -2.575 14.027 -4.377 1.00 24.00 O ATOM 932 CB VAL A 200 -0.228 14.283 -6.120 1.00 24.23 C ATOM 933 CG1 VAL A 200 -0.137 15.782 -6.403 1.00 42.31 C ATOM 934 CG2 VAL A 200 0.845 13.508 -6.871 1.00 11.11 C ATOM 0 H VAL A 200 -0.278 11.992 -5.193 1.00 62.32 H new ATOM 0 HA VAL A 200 0.691 14.450 -4.161 1.00 52.35 H new ATOM 0 HB VAL A 200 -1.193 13.937 -6.491 1.00 24.23 H new ATOM 0 HG11 VAL A 200 -0.164 15.951 -7.479 1.00 42.31 H new ATOM 0 HG12 VAL A 200 -0.978 16.293 -5.934 1.00 42.31 H new ATOM 0 HG13 VAL A 200 0.796 16.173 -5.998 1.00 42.31 H new ATOM 0 HG21 VAL A 200 0.786 13.742 -7.934 1.00 11.11 H new ATOM 0 HG22 VAL A 200 1.828 13.787 -6.492 1.00 11.11 H new ATOM 0 HG23 VAL A 200 0.690 12.439 -6.726 1.00 11.11 H new ATOM 944 N GLY A 201 -1.396 15.498 -3.175 1.00 32.24 N ATOM 945 CA GLY A 201 -2.560 16.022 -2.558 1.00 43.54 C ATOM 946 C GLY A 201 -3.079 15.087 -1.519 1.00 4.11 C ATOM 947 O GLY A 201 -2.333 14.629 -0.653 1.00 43.33 O ATOM 0 H GLY A 201 -0.522 15.944 -2.897 1.00 32.24 H new ATOM 0 HA2 GLY A 201 -2.333 16.987 -2.104 1.00 43.54 H new ATOM 0 HA3 GLY A 201 -3.328 16.197 -3.311 1.00 43.54 H new ATOM 951 N HIS A 202 -4.328 14.760 -1.660 1.00 40.02 N ATOM 952 CA HIS A 202 -5.050 13.911 -0.744 1.00 53.41 C ATOM 953 C HIS A 202 -6.470 13.789 -1.250 1.00 61.40 C ATOM 954 O HIS A 202 -7.270 14.734 -1.154 1.00 4.34 O ATOM 955 CB HIS A 202 -5.027 14.495 0.703 1.00 54.11 C ATOM 956 CG HIS A 202 -5.696 13.659 1.783 1.00 24.14 C ATOM 957 ND1 HIS A 202 -6.052 14.167 3.011 1.00 24.44 N ATOM 958 CD2 HIS A 202 -6.041 12.335 1.821 1.00 42.21 C ATOM 959 CE1 HIS A 202 -6.585 13.186 3.736 1.00 32.21 C ATOM 960 NE2 HIS A 202 -6.605 12.049 3.059 1.00 0.41 N ATOM 0 H HIS A 202 -4.898 15.085 -2.441 1.00 40.02 H new ATOM 0 HA HIS A 202 -4.578 12.929 -0.697 1.00 53.41 H new ATOM 0 HB2 HIS A 202 -3.988 14.655 0.990 1.00 54.11 H new ATOM 0 HB3 HIS A 202 -5.506 15.474 0.683 1.00 54.11 H new ATOM 0 HD2 HIS A 202 -5.898 11.627 1.018 1.00 42.21 H new ATOM 0 HE1 HIS A 202 -6.953 13.303 4.745 1.00 32.21 H new ATOM 0 HE2 HIS A 202 -6.961 11.148 3.380 1.00 0.41 H new ATOM 968 N THR A 203 -6.758 12.686 -1.854 1.00 73.12 N ATOM 969 CA THR A 203 -8.075 12.399 -2.311 1.00 65.33 C ATOM 970 C THR A 203 -8.656 11.235 -1.476 1.00 43.33 C ATOM 971 O THR A 203 -8.526 10.060 -1.855 1.00 11.14 O ATOM 972 CB THR A 203 -8.081 12.056 -3.822 1.00 53.01 C ATOM 973 OG1 THR A 203 -7.287 13.027 -4.528 1.00 15.44 O ATOM 974 CG2 THR A 203 -9.496 12.077 -4.393 1.00 32.03 C ATOM 0 H THR A 203 -6.078 11.950 -2.046 1.00 73.12 H new ATOM 0 HA THR A 203 -8.699 13.283 -2.181 1.00 65.33 H new ATOM 0 HB THR A 203 -7.671 11.053 -3.944 1.00 53.01 H new ATOM 0 HG1 THR A 203 -7.285 12.815 -5.485 1.00 15.44 H new ATOM 0 HG21 THR A 203 -9.464 11.832 -5.455 1.00 32.03 H new ATOM 0 HG22 THR A 203 -10.110 11.344 -3.870 1.00 32.03 H new ATOM 0 HG23 THR A 203 -9.926 13.070 -4.263 1.00 32.03 H new ATOM 982 N PRO A 204 -9.231 11.552 -0.275 1.00 11.25 N ATOM 983 CA PRO A 204 -9.807 10.558 0.640 1.00 45.42 C ATOM 984 C PRO A 204 -10.794 9.629 -0.035 1.00 0.02 C ATOM 985 O PRO A 204 -10.850 8.457 0.276 1.00 54.41 O ATOM 986 CB PRO A 204 -10.535 11.392 1.697 1.00 43.34 C ATOM 987 CG PRO A 204 -9.889 12.727 1.668 1.00 3.24 C ATOM 988 CD PRO A 204 -9.316 12.912 0.290 1.00 24.34 C ATOM 0 HA PRO A 204 -9.026 9.912 1.042 1.00 45.42 H new ATOM 0 HB2 PRO A 204 -11.599 11.467 1.472 1.00 43.34 H new ATOM 0 HB3 PRO A 204 -10.449 10.936 2.683 1.00 43.34 H new ATOM 0 HG2 PRO A 204 -10.613 13.510 1.892 1.00 3.24 H new ATOM 0 HG3 PRO A 204 -9.105 12.792 2.423 1.00 3.24 H new ATOM 0 HD2 PRO A 204 -9.953 13.553 -0.319 1.00 24.34 H new ATOM 0 HD3 PRO A 204 -8.334 13.384 0.331 1.00 24.34 H new ATOM 996 N ALA A 205 -11.532 10.158 -0.978 1.00 13.02 N ATOM 997 CA ALA A 205 -12.551 9.392 -1.676 1.00 15.25 C ATOM 998 C ALA A 205 -11.945 8.249 -2.479 1.00 52.54 C ATOM 999 O ALA A 205 -12.498 7.147 -2.524 1.00 0.40 O ATOM 1000 CB ALA A 205 -13.394 10.289 -2.547 1.00 22.34 C ATOM 0 H ALA A 205 -11.450 11.126 -1.287 1.00 13.02 H new ATOM 0 HA ALA A 205 -13.201 8.945 -0.924 1.00 15.25 H new ATOM 0 HB1 ALA A 205 -14.150 9.693 -3.059 1.00 22.34 H new ATOM 0 HB2 ALA A 205 -13.883 11.042 -1.928 1.00 22.34 H new ATOM 0 HB3 ALA A 205 -12.759 10.782 -3.284 1.00 22.34 H new ATOM 1006 N LYS A 206 -10.813 8.503 -3.086 1.00 4.05 N ATOM 1007 CA LYS A 206 -10.108 7.478 -3.809 1.00 12.41 C ATOM 1008 C LYS A 206 -9.413 6.558 -2.853 1.00 43.50 C ATOM 1009 O LYS A 206 -9.477 5.356 -3.000 1.00 73.14 O ATOM 1010 CB LYS A 206 -9.109 8.063 -4.813 1.00 64.24 C ATOM 1011 CG LYS A 206 -9.705 8.551 -6.126 1.00 2.15 C ATOM 1012 CD LYS A 206 -10.238 7.381 -6.946 1.00 51.31 C ATOM 1013 CE LYS A 206 -10.614 7.798 -8.359 1.00 63.22 C ATOM 1014 NZ LYS A 206 -11.726 8.754 -8.398 1.00 72.21 N ATOM 0 H LYS A 206 -10.359 9.416 -3.093 1.00 4.05 H new ATOM 0 HA LYS A 206 -10.845 6.913 -4.380 1.00 12.41 H new ATOM 0 HB2 LYS A 206 -8.590 8.896 -4.339 1.00 64.24 H new ATOM 0 HB3 LYS A 206 -8.358 7.305 -5.035 1.00 64.24 H new ATOM 0 HG2 LYS A 206 -10.511 9.257 -5.925 1.00 2.15 H new ATOM 0 HG3 LYS A 206 -8.947 9.087 -6.698 1.00 2.15 H new ATOM 0 HD2 LYS A 206 -9.484 6.595 -6.989 1.00 51.31 H new ATOM 0 HD3 LYS A 206 -11.111 6.958 -6.449 1.00 51.31 H new ATOM 0 HE2 LYS A 206 -9.744 8.241 -8.845 1.00 63.22 H new ATOM 0 HE3 LYS A 206 -10.884 6.912 -8.934 1.00 63.22 H new ATOM 0 HZ1 LYS A 206 -11.937 9.001 -9.386 1.00 72.21 H new ATOM 0 HZ2 LYS A 206 -12.567 8.326 -7.961 1.00 72.21 H new ATOM 0 HZ3 LYS A 206 -11.463 9.614 -7.875 1.00 72.21 H new ATOM 1028 N LEU A 207 -8.816 7.132 -1.840 1.00 45.43 N ATOM 1029 CA LEU A 207 -8.039 6.378 -0.873 1.00 70.23 C ATOM 1030 C LEU A 207 -8.924 5.401 -0.088 1.00 4.05 C ATOM 1031 O LEU A 207 -8.553 4.240 0.120 1.00 42.41 O ATOM 1032 CB LEU A 207 -7.280 7.339 0.053 1.00 4.13 C ATOM 1033 CG LEU A 207 -6.328 6.720 1.083 1.00 42.42 C ATOM 1034 CD1 LEU A 207 -5.251 5.884 0.401 1.00 61.03 C ATOM 1035 CD2 LEU A 207 -5.688 7.819 1.908 1.00 63.24 C ATOM 0 H LEU A 207 -8.851 8.135 -1.657 1.00 45.43 H new ATOM 0 HA LEU A 207 -7.305 5.774 -1.406 1.00 70.23 H new ATOM 0 HB2 LEU A 207 -6.704 8.023 -0.570 1.00 4.13 H new ATOM 0 HB3 LEU A 207 -8.014 7.939 0.591 1.00 4.13 H new ATOM 0 HG LEU A 207 -6.903 6.062 1.735 1.00 42.42 H new ATOM 0 HD11 LEU A 207 -4.590 5.457 1.155 1.00 61.03 H new ATOM 0 HD12 LEU A 207 -5.720 5.081 -0.168 1.00 61.03 H new ATOM 0 HD13 LEU A 207 -4.672 6.516 -0.273 1.00 61.03 H new ATOM 0 HD21 LEU A 207 -5.012 7.378 2.640 1.00 63.24 H new ATOM 0 HD22 LEU A 207 -5.128 8.487 1.253 1.00 63.24 H new ATOM 0 HD23 LEU A 207 -6.463 8.384 2.425 1.00 63.24 H new ATOM 1047 N GLU A 208 -10.114 5.851 0.278 1.00 42.32 N ATOM 1048 CA GLU A 208 -11.056 5.026 1.009 1.00 42.13 C ATOM 1049 C GLU A 208 -11.560 3.879 0.179 1.00 33.32 C ATOM 1050 O GLU A 208 -11.652 2.752 0.666 1.00 12.41 O ATOM 1051 CB GLU A 208 -12.209 5.858 1.553 1.00 13.34 C ATOM 1052 CG GLU A 208 -11.969 6.392 2.949 1.00 33.44 C ATOM 1053 CD GLU A 208 -12.085 5.294 3.979 1.00 4.31 C ATOM 1054 OE1 GLU A 208 -11.131 4.534 4.188 1.00 51.50 O ATOM 1055 OE2 GLU A 208 -13.176 5.141 4.561 1.00 52.05 O ATOM 0 H GLU A 208 -10.450 6.793 0.077 1.00 42.32 H new ATOM 0 HA GLU A 208 -10.519 4.599 1.856 1.00 42.13 H new ATOM 0 HB2 GLU A 208 -12.390 6.696 0.879 1.00 13.34 H new ATOM 0 HB3 GLU A 208 -13.114 5.250 1.557 1.00 13.34 H new ATOM 0 HG2 GLU A 208 -10.978 6.843 3.004 1.00 33.44 H new ATOM 0 HG3 GLU A 208 -12.690 7.179 3.169 1.00 33.44 H new ATOM 1062 N ARG A 209 -11.836 4.135 -1.078 1.00 55.51 N ATOM 1063 CA ARG A 209 -12.327 3.090 -1.924 1.00 31.33 C ATOM 1064 C ARG A 209 -11.204 2.189 -2.387 1.00 65.21 C ATOM 1065 O ARG A 209 -11.408 1.019 -2.660 1.00 72.34 O ATOM 1066 CB ARG A 209 -13.206 3.622 -3.050 1.00 45.24 C ATOM 1067 CG ARG A 209 -14.590 4.030 -2.547 1.00 43.22 C ATOM 1068 CD ARG A 209 -15.459 4.625 -3.636 1.00 13.25 C ATOM 1069 NE ARG A 209 -15.049 5.980 -4.012 1.00 53.34 N ATOM 1070 CZ ARG A 209 -15.078 6.470 -5.251 1.00 21.52 C ATOM 1071 NH1 ARG A 209 -15.347 5.670 -6.283 1.00 40.45 N ATOM 1072 NH2 ARG A 209 -14.850 7.768 -5.459 1.00 22.14 N ATOM 0 H ARG A 209 -11.729 5.045 -1.526 1.00 55.51 H new ATOM 0 HA ARG A 209 -12.991 2.460 -1.332 1.00 31.33 H new ATOM 0 HB2 ARG A 209 -12.721 4.480 -3.515 1.00 45.24 H new ATOM 0 HB3 ARG A 209 -13.310 2.859 -3.821 1.00 45.24 H new ATOM 0 HG2 ARG A 209 -15.090 3.158 -2.126 1.00 43.22 H new ATOM 0 HG3 ARG A 209 -14.479 4.755 -1.740 1.00 43.22 H new ATOM 0 HD2 ARG A 209 -15.423 3.982 -4.515 1.00 13.25 H new ATOM 0 HD3 ARG A 209 -16.495 4.644 -3.298 1.00 13.25 H new ATOM 0 HE ARG A 209 -14.716 6.595 -3.269 1.00 53.34 H new ATOM 0 HH11 ARG A 209 -15.532 4.679 -6.126 1.00 40.45 H new ATOM 0 HH12 ARG A 209 -15.368 6.049 -7.230 1.00 40.45 H new ATOM 0 HH21 ARG A 209 -14.654 8.384 -4.670 1.00 22.14 H new ATOM 0 HH22 ARG A 209 -14.872 8.144 -6.407 1.00 22.14 H new ATOM 1086 N LEU A 210 -10.005 2.733 -2.418 1.00 31.14 N ATOM 1087 CA LEU A 210 -8.822 1.968 -2.728 1.00 52.54 C ATOM 1088 C LEU A 210 -8.581 0.938 -1.653 1.00 63.43 C ATOM 1089 O LEU A 210 -8.489 -0.237 -1.948 1.00 0.24 O ATOM 1090 CB LEU A 210 -7.591 2.873 -2.887 1.00 31.13 C ATOM 1091 CG LEU A 210 -6.253 2.166 -3.150 1.00 31.34 C ATOM 1092 CD1 LEU A 210 -6.292 1.386 -4.452 1.00 62.32 C ATOM 1093 CD2 LEU A 210 -5.111 3.170 -3.156 1.00 73.31 C ATOM 0 H LEU A 210 -9.826 3.719 -2.228 1.00 31.14 H new ATOM 0 HA LEU A 210 -8.985 1.464 -3.680 1.00 52.54 H new ATOM 0 HB2 LEU A 210 -7.779 3.565 -3.708 1.00 31.13 H new ATOM 0 HB3 LEU A 210 -7.489 3.473 -1.982 1.00 31.13 H new ATOM 0 HG LEU A 210 -6.082 1.455 -2.341 1.00 31.34 H new ATOM 0 HD11 LEU A 210 -5.331 0.896 -4.612 1.00 62.32 H new ATOM 0 HD12 LEU A 210 -7.079 0.634 -4.402 1.00 62.32 H new ATOM 0 HD13 LEU A 210 -6.494 2.067 -5.278 1.00 62.32 H new ATOM 0 HD21 LEU A 210 -4.171 2.651 -3.344 1.00 73.31 H new ATOM 0 HD22 LEU A 210 -5.280 3.909 -3.939 1.00 73.31 H new ATOM 0 HD23 LEU A 210 -5.062 3.671 -2.189 1.00 73.31 H new ATOM 1105 N VAL A 211 -8.551 1.366 -0.393 1.00 73.14 N ATOM 1106 CA VAL A 211 -8.273 0.432 0.686 1.00 64.12 C ATOM 1107 C VAL A 211 -9.437 -0.535 0.895 1.00 4.31 C ATOM 1108 O VAL A 211 -9.247 -1.663 1.350 1.00 73.32 O ATOM 1109 CB VAL A 211 -7.853 1.115 2.024 1.00 14.13 C ATOM 1110 CG1 VAL A 211 -6.574 1.921 1.843 1.00 72.02 C ATOM 1111 CG2 VAL A 211 -8.961 1.993 2.585 1.00 4.11 C ATOM 0 H VAL A 211 -8.712 2.330 -0.102 1.00 73.14 H new ATOM 0 HA VAL A 211 -7.401 -0.138 0.364 1.00 64.12 H new ATOM 0 HB VAL A 211 -7.666 0.320 2.746 1.00 14.13 H new ATOM 0 HG11 VAL A 211 -6.301 2.388 2.789 1.00 72.02 H new ATOM 0 HG12 VAL A 211 -5.770 1.260 1.519 1.00 72.02 H new ATOM 0 HG13 VAL A 211 -6.734 2.693 1.090 1.00 72.02 H new ATOM 0 HG21 VAL A 211 -8.627 2.449 3.517 1.00 4.11 H new ATOM 0 HG22 VAL A 211 -9.206 2.774 1.865 1.00 4.11 H new ATOM 0 HG23 VAL A 211 -9.846 1.385 2.775 1.00 4.11 H new ATOM 1121 N ALA A 212 -10.627 -0.103 0.514 1.00 5.33 N ATOM 1122 CA ALA A 212 -11.807 -0.930 0.595 1.00 50.10 C ATOM 1123 C ALA A 212 -11.778 -2.013 -0.478 1.00 14.02 C ATOM 1124 O ALA A 212 -12.126 -3.163 -0.220 1.00 65.52 O ATOM 1125 CB ALA A 212 -13.058 -0.086 0.480 1.00 71.03 C ATOM 0 H ALA A 212 -10.797 0.831 0.141 1.00 5.33 H new ATOM 0 HA ALA A 212 -11.819 -1.420 1.569 1.00 50.10 H new ATOM 0 HB1 ALA A 212 -13.937 -0.728 0.543 1.00 71.03 H new ATOM 0 HB2 ALA A 212 -13.081 0.642 1.291 1.00 71.03 H new ATOM 0 HB3 ALA A 212 -13.058 0.436 -0.477 1.00 71.03 H new ATOM 1131 N GLU A 213 -11.372 -1.651 -1.675 1.00 41.43 N ATOM 1132 CA GLU A 213 -11.252 -2.612 -2.756 1.00 62.31 C ATOM 1133 C GLU A 213 -10.035 -3.489 -2.573 1.00 10.02 C ATOM 1134 O GLU A 213 -10.025 -4.646 -3.001 1.00 55.41 O ATOM 1135 CB GLU A 213 -11.232 -1.918 -4.119 1.00 75.44 C ATOM 1136 CG GLU A 213 -12.553 -1.959 -4.885 1.00 21.12 C ATOM 1137 CD GLU A 213 -13.738 -1.401 -4.140 1.00 31.45 C ATOM 1138 OE1 GLU A 213 -13.947 -0.174 -4.143 1.00 50.20 O ATOM 1139 OE2 GLU A 213 -14.515 -2.193 -3.572 1.00 43.43 O ATOM 0 H GLU A 213 -11.118 -0.696 -1.928 1.00 41.43 H new ATOM 0 HA GLU A 213 -12.133 -3.253 -2.726 1.00 62.31 H new ATOM 0 HB2 GLU A 213 -10.945 -0.876 -3.975 1.00 75.44 H new ATOM 0 HB3 GLU A 213 -10.459 -2.379 -4.733 1.00 75.44 H new ATOM 0 HG2 GLU A 213 -12.434 -1.404 -5.816 1.00 21.12 H new ATOM 0 HG3 GLU A 213 -12.767 -2.993 -5.156 1.00 21.12 H new ATOM 1146 N LEU A 214 -9.033 -2.948 -1.937 1.00 14.13 N ATOM 1147 CA LEU A 214 -7.819 -3.666 -1.659 1.00 70.04 C ATOM 1148 C LEU A 214 -8.099 -4.743 -0.615 1.00 4.44 C ATOM 1149 O LEU A 214 -7.687 -5.875 -0.774 1.00 61.03 O ATOM 1150 CB LEU A 214 -6.716 -2.663 -1.210 1.00 24.41 C ATOM 1151 CG LEU A 214 -5.244 -3.133 -1.162 1.00 32.31 C ATOM 1152 CD1 LEU A 214 -4.986 -4.129 -0.055 1.00 2.34 C ATOM 1153 CD2 LEU A 214 -4.821 -3.703 -2.503 1.00 55.03 C ATOM 0 H LEU A 214 -9.036 -1.988 -1.594 1.00 14.13 H new ATOM 0 HA LEU A 214 -7.452 -4.169 -2.554 1.00 70.04 H new ATOM 0 HB2 LEU A 214 -6.764 -1.802 -1.877 1.00 24.41 H new ATOM 0 HB3 LEU A 214 -6.980 -2.309 -0.213 1.00 24.41 H new ATOM 0 HG LEU A 214 -4.639 -2.253 -0.942 1.00 32.31 H new ATOM 0 HD11 LEU A 214 -3.937 -4.424 -0.069 1.00 2.34 H new ATOM 0 HD12 LEU A 214 -5.222 -3.674 0.907 1.00 2.34 H new ATOM 0 HD13 LEU A 214 -5.612 -5.009 -0.204 1.00 2.34 H new ATOM 0 HD21 LEU A 214 -3.782 -4.028 -2.449 1.00 55.03 H new ATOM 0 HD22 LEU A 214 -5.455 -4.554 -2.753 1.00 55.03 H new ATOM 0 HD23 LEU A 214 -4.922 -2.937 -3.272 1.00 55.03 H new ATOM 1165 N SER A 215 -8.837 -4.402 0.426 1.00 33.34 N ATOM 1166 CA SER A 215 -9.149 -5.372 1.452 1.00 22.22 C ATOM 1167 C SER A 215 -10.191 -6.387 0.963 1.00 74.51 C ATOM 1168 O SER A 215 -10.272 -7.516 1.465 1.00 41.31 O ATOM 1169 CB SER A 215 -9.618 -4.676 2.727 1.00 64.21 C ATOM 1170 OG SER A 215 -10.643 -3.730 2.447 1.00 12.33 O ATOM 0 H SER A 215 -9.226 -3.472 0.580 1.00 33.34 H new ATOM 0 HA SER A 215 -8.237 -5.923 1.680 1.00 22.22 H new ATOM 0 HB2 SER A 215 -9.987 -5.418 3.435 1.00 64.21 H new ATOM 0 HB3 SER A 215 -8.775 -4.174 3.202 1.00 64.21 H new ATOM 0 HG SER A 215 -10.239 -2.889 2.148 1.00 12.33 H new ATOM 1176 N LEU A 216 -10.985 -5.978 -0.023 1.00 25.40 N ATOM 1177 CA LEU A 216 -12.008 -6.836 -0.567 1.00 31.11 C ATOM 1178 C LEU A 216 -11.410 -7.895 -1.493 1.00 54.23 C ATOM 1179 O LEU A 216 -12.064 -8.904 -1.787 1.00 23.13 O ATOM 1180 CB LEU A 216 -13.098 -6.033 -1.278 1.00 44.12 C ATOM 1181 CG LEU A 216 -14.320 -6.834 -1.731 1.00 24.04 C ATOM 1182 CD1 LEU A 216 -15.026 -7.455 -0.541 1.00 65.25 C ATOM 1183 CD2 LEU A 216 -15.271 -5.959 -2.500 1.00 24.14 C ATOM 0 H LEU A 216 -10.932 -5.056 -0.455 1.00 25.40 H new ATOM 0 HA LEU A 216 -12.477 -7.352 0.271 1.00 31.11 H new ATOM 0 HB2 LEU A 216 -13.433 -5.239 -0.610 1.00 44.12 H new ATOM 0 HB3 LEU A 216 -12.658 -5.551 -2.151 1.00 44.12 H new ATOM 0 HG LEU A 216 -13.976 -7.635 -2.386 1.00 24.04 H new ATOM 0 HD11 LEU A 216 -15.892 -8.020 -0.886 1.00 65.25 H new ATOM 0 HD12 LEU A 216 -14.341 -8.123 -0.020 1.00 65.25 H new ATOM 0 HD13 LEU A 216 -15.353 -6.668 0.139 1.00 65.25 H new ATOM 0 HD21 LEU A 216 -16.134 -6.547 -2.814 1.00 24.14 H new ATOM 0 HD22 LEU A 216 -15.603 -5.137 -1.866 1.00 24.14 H new ATOM 0 HD23 LEU A 216 -14.766 -5.558 -3.379 1.00 24.14 H new ATOM 1195 N GLN A 217 -10.179 -7.646 -1.972 1.00 70.12 N ATOM 1196 CA GLN A 217 -9.435 -8.634 -2.768 1.00 3.14 C ATOM 1197 C GLN A 217 -9.415 -9.964 -2.015 1.00 32.42 C ATOM 1198 O GLN A 217 -8.953 -10.017 -0.862 1.00 23.10 O ATOM 1199 CB GLN A 217 -7.988 -8.164 -3.009 1.00 65.14 C ATOM 1200 CG GLN A 217 -7.850 -6.964 -3.934 1.00 0.41 C ATOM 1201 CD GLN A 217 -8.196 -7.295 -5.368 1.00 14.24 C ATOM 1202 OE1 GLN A 217 -9.349 -7.192 -5.788 1.00 62.25 O ATOM 1203 NE2 GLN A 217 -7.205 -7.677 -6.132 1.00 63.30 N ATOM 0 H GLN A 217 -9.680 -6.769 -1.821 1.00 70.12 H new ATOM 0 HA GLN A 217 -9.927 -8.751 -3.734 1.00 3.14 H new ATOM 0 HB2 GLN A 217 -7.537 -7.917 -2.048 1.00 65.14 H new ATOM 0 HB3 GLN A 217 -7.417 -8.993 -3.426 1.00 65.14 H new ATOM 0 HG2 GLN A 217 -8.499 -6.162 -3.583 1.00 0.41 H new ATOM 0 HG3 GLN A 217 -6.827 -6.589 -3.888 1.00 0.41 H new ATOM 0 HE21 GLN A 217 -6.263 -7.750 -5.747 1.00 63.30 H new ATOM 0 HE22 GLN A 217 -7.374 -7.902 -7.112 1.00 63.30 H new ATOM 1212 N PRO A 218 -9.957 -11.043 -2.619 1.00 41.14 N ATOM 1213 CA PRO A 218 -10.043 -12.346 -1.967 1.00 4.13 C ATOM 1214 C PRO A 218 -8.670 -12.874 -1.600 1.00 71.31 C ATOM 1215 O PRO A 218 -7.906 -13.308 -2.456 1.00 73.42 O ATOM 1216 CB PRO A 218 -10.730 -13.250 -3.003 1.00 44.45 C ATOM 1217 CG PRO A 218 -10.576 -12.541 -4.303 1.00 21.25 C ATOM 1218 CD PRO A 218 -10.513 -11.076 -3.987 1.00 34.22 C ATOM 0 HA PRO A 218 -10.596 -12.299 -1.029 1.00 4.13 H new ATOM 0 HB2 PRO A 218 -10.266 -14.236 -3.035 1.00 44.45 H new ATOM 0 HB3 PRO A 218 -11.782 -13.400 -2.759 1.00 44.45 H new ATOM 0 HG2 PRO A 218 -9.671 -12.866 -4.817 1.00 21.25 H new ATOM 0 HG3 PRO A 218 -11.414 -12.759 -4.965 1.00 21.25 H new ATOM 0 HD2 PRO A 218 -9.877 -10.540 -4.692 1.00 34.22 H new ATOM 0 HD3 PRO A 218 -11.499 -10.613 -4.031 1.00 34.22 H new ATOM 1226 N GLY A 219 -8.356 -12.783 -0.337 1.00 74.23 N ATOM 1227 CA GLY A 219 -7.069 -13.196 0.145 1.00 43.02 C ATOM 1228 C GLY A 219 -6.578 -12.298 1.250 1.00 22.31 C ATOM 1229 O GLY A 219 -5.685 -12.670 2.016 1.00 53.11 O ATOM 0 H GLY A 219 -8.982 -12.422 0.383 1.00 74.23 H new ATOM 0 HA2 GLY A 219 -7.128 -14.222 0.508 1.00 43.02 H new ATOM 0 HA3 GLY A 219 -6.352 -13.189 -0.676 1.00 43.02 H new ATOM 1233 N VAL A 220 -7.136 -11.106 1.311 1.00 21.54 N ATOM 1234 CA VAL A 220 -6.792 -10.139 2.335 1.00 23.24 C ATOM 1235 C VAL A 220 -7.551 -10.409 3.629 1.00 62.41 C ATOM 1236 O VAL A 220 -8.753 -10.657 3.618 1.00 13.44 O ATOM 1237 CB VAL A 220 -7.057 -8.689 1.859 1.00 3.52 C ATOM 1238 CG1 VAL A 220 -6.758 -7.683 2.966 1.00 33.14 C ATOM 1239 CG2 VAL A 220 -6.237 -8.381 0.618 1.00 25.23 C ATOM 0 H VAL A 220 -7.842 -10.779 0.651 1.00 21.54 H new ATOM 0 HA VAL A 220 -5.725 -10.247 2.529 1.00 23.24 H new ATOM 0 HB VAL A 220 -8.114 -8.603 1.607 1.00 3.52 H new ATOM 0 HG11 VAL A 220 -6.953 -6.674 2.603 1.00 33.14 H new ATOM 0 HG12 VAL A 220 -7.395 -7.889 3.826 1.00 33.14 H new ATOM 0 HG13 VAL A 220 -5.712 -7.767 3.261 1.00 33.14 H new ATOM 0 HG21 VAL A 220 -6.434 -7.359 0.296 1.00 25.23 H new ATOM 0 HG22 VAL A 220 -5.177 -8.491 0.846 1.00 25.23 H new ATOM 0 HG23 VAL A 220 -6.511 -9.072 -0.180 1.00 25.23 H new ATOM 1249 N TYR A 221 -6.836 -10.368 4.723 1.00 34.21 N ATOM 1250 CA TYR A 221 -7.389 -10.582 6.036 1.00 41.30 C ATOM 1251 C TYR A 221 -7.697 -9.256 6.696 1.00 31.40 C ATOM 1252 O TYR A 221 -8.801 -9.047 7.198 1.00 5.03 O ATOM 1253 CB TYR A 221 -6.414 -11.394 6.909 1.00 21.41 C ATOM 1254 CG TYR A 221 -6.287 -12.847 6.507 1.00 24.44 C ATOM 1255 CD1 TYR A 221 -5.846 -13.209 5.246 1.00 72.20 C ATOM 1256 CD2 TYR A 221 -6.618 -13.856 7.393 1.00 43.31 C ATOM 1257 CE1 TYR A 221 -5.749 -14.521 4.874 1.00 64.01 C ATOM 1258 CE2 TYR A 221 -6.514 -15.177 7.028 1.00 22.10 C ATOM 1259 CZ TYR A 221 -6.082 -15.502 5.765 1.00 21.11 C ATOM 1260 OH TYR A 221 -6.002 -16.810 5.391 1.00 14.45 O ATOM 0 H TYR A 221 -5.833 -10.181 4.727 1.00 34.21 H new ATOM 0 HA TYR A 221 -8.314 -11.148 5.932 1.00 41.30 H new ATOM 0 HB2 TYR A 221 -5.429 -10.929 6.864 1.00 21.41 H new ATOM 0 HB3 TYR A 221 -6.744 -11.343 7.947 1.00 21.41 H new ATOM 0 HD1 TYR A 221 -5.573 -12.438 4.541 1.00 72.20 H new ATOM 0 HD2 TYR A 221 -6.963 -13.603 8.385 1.00 43.31 H new ATOM 0 HE1 TYR A 221 -5.411 -14.781 3.882 1.00 64.01 H new ATOM 0 HE2 TYR A 221 -6.771 -15.956 7.731 1.00 22.10 H new ATOM 0 HH TYR A 221 -6.272 -17.381 6.140 1.00 14.45 H new ATOM 1270 N ALA A 222 -6.738 -8.351 6.662 1.00 3.11 N ATOM 1271 CA ALA A 222 -6.892 -7.055 7.312 1.00 74.25 C ATOM 1272 C ALA A 222 -6.039 -6.014 6.619 1.00 33.12 C ATOM 1273 O ALA A 222 -5.040 -6.359 5.975 1.00 23.43 O ATOM 1274 CB ALA A 222 -6.507 -7.151 8.786 1.00 20.20 C ATOM 0 H ALA A 222 -5.843 -8.485 6.192 1.00 3.11 H new ATOM 0 HA ALA A 222 -7.938 -6.755 7.242 1.00 74.25 H new ATOM 0 HB1 ALA A 222 -6.627 -6.176 9.258 1.00 20.20 H new ATOM 0 HB2 ALA A 222 -7.151 -7.877 9.284 1.00 20.20 H new ATOM 0 HB3 ALA A 222 -5.468 -7.469 8.871 1.00 20.20 H new ATOM 1280 N VAL A 223 -6.421 -4.761 6.739 1.00 50.23 N ATOM 1281 CA VAL A 223 -5.674 -3.680 6.151 1.00 5.30 C ATOM 1282 C VAL A 223 -5.656 -2.481 7.105 1.00 41.22 C ATOM 1283 O VAL A 223 -6.668 -2.131 7.714 1.00 73.22 O ATOM 1284 CB VAL A 223 -6.216 -3.260 4.735 1.00 54.03 C ATOM 1285 CG1 VAL A 223 -7.612 -2.665 4.805 1.00 23.01 C ATOM 1286 CG2 VAL A 223 -5.256 -2.307 4.031 1.00 0.44 C ATOM 0 H VAL A 223 -7.256 -4.468 7.246 1.00 50.23 H new ATOM 0 HA VAL A 223 -4.656 -4.037 5.994 1.00 5.30 H new ATOM 0 HB VAL A 223 -6.283 -4.174 4.145 1.00 54.03 H new ATOM 0 HG11 VAL A 223 -7.941 -2.391 3.803 1.00 23.01 H new ATOM 0 HG12 VAL A 223 -8.300 -3.399 5.225 1.00 23.01 H new ATOM 0 HG13 VAL A 223 -7.598 -1.777 5.437 1.00 23.01 H new ATOM 0 HG21 VAL A 223 -5.661 -2.037 3.056 1.00 0.44 H new ATOM 0 HG22 VAL A 223 -5.130 -1.407 4.633 1.00 0.44 H new ATOM 0 HG23 VAL A 223 -4.290 -2.795 3.900 1.00 0.44 H new ATOM 1296 N HIS A 224 -4.507 -1.918 7.273 1.00 5.13 N ATOM 1297 CA HIS A 224 -4.304 -0.754 8.107 1.00 34.43 C ATOM 1298 C HIS A 224 -3.571 0.269 7.297 1.00 53.52 C ATOM 1299 O HIS A 224 -2.511 -0.024 6.775 1.00 75.32 O ATOM 1300 CB HIS A 224 -3.423 -1.086 9.336 1.00 23.00 C ATOM 1301 CG HIS A 224 -4.027 -1.973 10.385 1.00 21.24 C ATOM 1302 ND1 HIS A 224 -4.139 -1.608 11.710 1.00 61.43 N ATOM 1303 CD2 HIS A 224 -4.493 -3.245 10.310 1.00 41.51 C ATOM 1304 CE1 HIS A 224 -4.649 -2.636 12.381 1.00 51.02 C ATOM 1305 NE2 HIS A 224 -4.886 -3.659 11.577 1.00 13.13 N ATOM 0 H HIS A 224 -3.653 -2.254 6.828 1.00 5.13 H new ATOM 0 HA HIS A 224 -5.276 -0.399 8.450 1.00 34.43 H new ATOM 0 HB2 HIS A 224 -2.507 -1.558 8.979 1.00 23.00 H new ATOM 0 HB3 HIS A 224 -3.135 -0.148 9.810 1.00 23.00 H new ATOM 0 HD2 HIS A 224 -4.549 -3.840 9.410 1.00 41.51 H new ATOM 0 HE1 HIS A 224 -4.844 -2.636 13.443 1.00 51.02 H new ATOM 0 HE2 HIS A 224 -5.277 -4.565 11.834 1.00 13.13 H new ATOM 1313 N TRP A 225 -4.109 1.432 7.149 1.00 45.25 N ATOM 1314 CA TRP A 225 -3.362 2.446 6.480 1.00 11.33 C ATOM 1315 C TRP A 225 -3.052 3.522 7.433 1.00 31.04 C ATOM 1316 O TRP A 225 -3.842 3.816 8.342 1.00 72.12 O ATOM 1317 CB TRP A 225 -4.010 2.986 5.207 1.00 10.24 C ATOM 1318 CG TRP A 225 -5.319 3.685 5.383 1.00 21.24 C ATOM 1319 CD1 TRP A 225 -6.546 3.111 5.525 1.00 43.41 C ATOM 1320 CD2 TRP A 225 -5.531 5.109 5.402 1.00 11.31 C ATOM 1321 NE1 TRP A 225 -7.508 4.083 5.634 1.00 51.03 N ATOM 1322 CE2 TRP A 225 -6.911 5.319 5.557 1.00 41.40 C ATOM 1323 CE3 TRP A 225 -4.682 6.228 5.302 1.00 50.12 C ATOM 1324 CZ2 TRP A 225 -7.468 6.599 5.615 1.00 23.15 C ATOM 1325 CZ3 TRP A 225 -5.236 7.488 5.358 1.00 73.21 C ATOM 1326 CH2 TRP A 225 -6.613 7.668 5.509 1.00 61.54 C ATOM 0 H TRP A 225 -5.038 1.702 7.472 1.00 45.25 H new ATOM 0 HA TRP A 225 -2.443 1.979 6.126 1.00 11.33 H new ATOM 0 HB2 TRP A 225 -3.313 3.677 4.733 1.00 10.24 H new ATOM 0 HB3 TRP A 225 -4.154 2.155 4.516 1.00 10.24 H new ATOM 0 HD1 TRP A 225 -6.734 2.048 5.548 1.00 43.41 H new ATOM 0 HE1 TRP A 225 -8.507 3.915 5.753 1.00 51.03 H new ATOM 0 HE3 TRP A 225 -3.616 6.101 5.184 1.00 50.12 H new ATOM 0 HZ2 TRP A 225 -8.531 6.742 5.739 1.00 23.15 H new ATOM 0 HZ3 TRP A 225 -4.594 8.353 5.284 1.00 73.21 H new ATOM 0 HH2 TRP A 225 -7.014 8.670 5.543 1.00 61.54 H new ATOM 1337 N TYR A 226 -1.931 4.080 7.265 1.00 34.40 N ATOM 1338 CA TYR A 226 -1.480 5.099 8.163 1.00 73.11 C ATOM 1339 C TYR A 226 -0.785 6.196 7.384 1.00 23.22 C ATOM 1340 O TYR A 226 -0.068 5.923 6.424 1.00 5.33 O ATOM 1341 CB TYR A 226 -0.547 4.478 9.226 1.00 0.22 C ATOM 1342 CG TYR A 226 -0.236 5.381 10.397 1.00 43.20 C ATOM 1343 CD1 TYR A 226 -1.120 5.486 11.462 1.00 4.45 C ATOM 1344 CD2 TYR A 226 0.933 6.124 10.443 1.00 73.53 C ATOM 1345 CE1 TYR A 226 -0.847 6.308 12.537 1.00 72.22 C ATOM 1346 CE2 TYR A 226 1.208 6.947 11.516 1.00 10.11 C ATOM 1347 CZ TYR A 226 0.317 7.036 12.554 1.00 63.34 C ATOM 1348 OH TYR A 226 0.595 7.859 13.619 1.00 42.14 O ATOM 0 H TYR A 226 -1.284 3.859 6.508 1.00 34.40 H new ATOM 0 HA TYR A 226 -2.331 5.543 8.679 1.00 73.11 H new ATOM 0 HB2 TYR A 226 -1.005 3.563 9.602 1.00 0.22 H new ATOM 0 HB3 TYR A 226 0.389 4.192 8.746 1.00 0.22 H new ATOM 0 HD1 TYR A 226 -2.037 4.915 11.449 1.00 4.45 H new ATOM 0 HD2 TYR A 226 1.638 6.058 9.628 1.00 73.53 H new ATOM 0 HE1 TYR A 226 -1.544 6.378 13.359 1.00 72.22 H new ATOM 0 HE2 TYR A 226 2.123 7.520 11.538 1.00 10.11 H new ATOM 0 HH TYR A 226 1.458 8.301 13.474 1.00 42.14 H new ATOM 1358 N ALA A 227 -1.038 7.416 7.761 1.00 55.41 N ATOM 1359 CA ALA A 227 -0.423 8.561 7.137 1.00 52.53 C ATOM 1360 C ALA A 227 0.955 8.784 7.724 1.00 15.25 C ATOM 1361 O ALA A 227 1.118 8.832 8.944 1.00 54.34 O ATOM 1362 CB ALA A 227 -1.291 9.792 7.339 1.00 50.13 C ATOM 0 H ALA A 227 -1.682 7.650 8.516 1.00 55.41 H new ATOM 0 HA ALA A 227 -0.325 8.378 6.067 1.00 52.53 H new ATOM 0 HB1 ALA A 227 -0.819 10.652 6.864 1.00 50.13 H new ATOM 0 HB2 ALA A 227 -2.271 9.624 6.892 1.00 50.13 H new ATOM 0 HB3 ALA A 227 -1.407 9.984 8.406 1.00 50.13 H new ATOM 1368 N GLY A 228 1.919 8.941 6.881 1.00 31.35 N ATOM 1369 CA GLY A 228 3.266 9.104 7.324 1.00 31.10 C ATOM 1370 C GLY A 228 4.036 7.817 7.222 1.00 14.13 C ATOM 1371 O GLY A 228 3.518 6.749 7.533 1.00 13.14 O ATOM 0 H GLY A 228 1.798 8.960 5.868 1.00 31.35 H new ATOM 0 HA2 GLY A 228 3.757 9.872 6.726 1.00 31.10 H new ATOM 0 HA3 GLY A 228 3.271 9.452 8.357 1.00 31.10 H new