USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 897 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 102 LYS NZ :NH3+ 180:sc= -0.0687 (180deg=0) USER MOD Set 1.2: A 106 ASN : amide:sc= -0.669 X(o=-0.74,f=-0.4) USER MOD Set 2.1: A 71 THR OG1 : rot 159:sc= 1.24 USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 1.05 USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 26 TYR OH : rot 149:sc= -0.0723 USER MOD Set 4.2: A 118 THR OG1 : rot -28:sc= 0.615 USER MOD Single : A 10 GLN : amide:sc= -0.0527 X(o=-0.053,f=-0.053) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.35 K(o=-1.4,f=-4.8!) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.219 USER MOD Single : A 17 ASN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 157:sc= -0.924 (180deg=-1.41) USER MOD Single : A 34 THR OG1 : rot -45:sc= 0.42 USER MOD Single : A 45 GLN : amide:sc= -1.55 K(o=-1.5,f=-4.6!) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00282 USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 0.576 (180deg=0.541) USER MOD Single : A 62 SER OG : rot 120:sc= -1.71 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -0.994 K(o=-0.99,f=-1.8) USER MOD Single : A 70 MET CE :methyl -135:sc= -6.28! (180deg=-10.4!) USER MOD Single : A 73 MET CE :methyl -126:sc= -2.17 (180deg=-4.45!) USER MOD Single : A 74 TYR OH : rot -33:sc= 0.118 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -149:sc= 0.0221 (180deg=-0.429) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.521 F(o=-4.4!,f=-0.52) USER MOD Single : A 87 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.84) USER MOD Single : A 88 ASN : amide:sc= -4.9! C(o=-4.9!,f=-5.2!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -9.84! C(o=-9.8!,f=-9.6!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 MET CE :methyl 148:sc= -0.447 (180deg=-1.84!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= 0.0166 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.285 K(o=-0.29,f=-1) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -91:sc= -0.868! USER MOD Single : A 111 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.52) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -102:sc= 0.567 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N LEU A 8 -3.787 10.279 4.511 1.00 4.42 N ATOM 110 CA LEU A 8 -5.023 9.975 5.224 1.00 65.12 C ATOM 111 C LEU A 8 -5.848 11.238 5.447 1.00 3.23 C ATOM 112 O LEU A 8 -7.064 11.173 5.628 1.00 42.44 O ATOM 113 CB LEU A 8 -4.710 9.312 6.567 1.00 71.05 C ATOM 114 CG LEU A 8 -3.923 8.003 6.502 1.00 61.34 C ATOM 115 CD1 LEU A 8 -3.835 7.364 7.879 1.00 73.32 C ATOM 116 CD2 LEU A 8 -4.562 7.045 5.507 1.00 72.21 C ATOM 0 HA LEU A 8 -5.606 9.286 4.613 1.00 65.12 H new ATOM 0 HB2 LEU A 8 -4.149 10.020 7.177 1.00 71.05 H new ATOM 0 HB3 LEU A 8 -5.651 9.122 7.084 1.00 71.05 H new ATOM 0 HG LEU A 8 -2.912 8.226 6.163 1.00 61.34 H new ATOM 0 HD11 LEU A 8 -3.271 6.433 7.813 1.00 73.32 H new ATOM 0 HD12 LEU A 8 -3.331 8.045 8.565 1.00 73.32 H new ATOM 0 HD13 LEU A 8 -4.839 7.155 8.248 1.00 73.32 H new ATOM 0 HD21 LEU A 8 -3.988 6.119 5.474 1.00 72.21 H new ATOM 0 HD22 LEU A 8 -5.584 6.828 5.816 1.00 72.21 H new ATOM 0 HD23 LEU A 8 -4.571 7.501 4.517 1.00 72.21 H new ATOM 128 N ASP A 9 -5.179 12.386 5.432 1.00 63.31 N ATOM 129 CA ASP A 9 -5.850 13.665 5.629 1.00 34.05 C ATOM 130 C ASP A 9 -7.043 13.804 4.688 1.00 21.32 C ATOM 131 O ASP A 9 -8.042 14.438 5.027 1.00 62.30 O ATOM 132 CB ASP A 9 -4.872 14.819 5.406 1.00 23.03 C ATOM 133 CG ASP A 9 -3.671 14.746 6.329 1.00 10.50 C ATOM 134 OD1 ASP A 9 -3.351 13.635 6.799 1.00 31.04 O ATOM 135 OD2 ASP A 9 -3.052 15.801 6.582 1.00 42.45 O ATOM 0 H ASP A 9 -4.172 12.457 5.285 1.00 63.31 H new ATOM 0 HA ASP A 9 -6.214 13.701 6.656 1.00 34.05 H new ATOM 0 HB2 ASP A 9 -4.532 14.808 4.370 1.00 23.03 H new ATOM 0 HB3 ASP A 9 -5.390 15.766 5.562 1.00 23.03 H new ATOM 140 N GLN A 10 -6.929 13.208 3.506 1.00 74.43 N ATOM 141 CA GLN A 10 -7.998 13.267 2.515 1.00 21.23 C ATOM 142 C GLN A 10 -9.218 12.480 2.983 1.00 10.42 C ATOM 143 O GLN A 10 -10.357 12.889 2.755 1.00 30.24 O ATOM 144 CB GLN A 10 -7.509 12.721 1.173 1.00 65.31 C ATOM 145 CG GLN A 10 -6.294 13.453 0.625 1.00 72.54 C ATOM 146 CD GLN A 10 -6.576 14.913 0.333 1.00 3.31 C ATOM 147 OE1 GLN A 10 -7.315 15.242 -0.595 1.00 71.21 O ATOM 148 NE2 GLN A 10 -5.986 15.800 1.127 1.00 71.04 N ATOM 0 H GLN A 10 -6.108 12.679 3.211 1.00 74.43 H new ATOM 0 HA GLN A 10 -8.287 14.311 2.391 1.00 21.23 H new ATOM 0 HB2 GLN A 10 -7.266 11.665 1.287 1.00 65.31 H new ATOM 0 HB3 GLN A 10 -8.319 12.785 0.447 1.00 65.31 H new ATOM 0 HG2 GLN A 10 -5.477 13.381 1.343 1.00 72.54 H new ATOM 0 HG3 GLN A 10 -5.960 12.961 -0.289 1.00 72.54 H new ATOM 0 HE21 GLN A 10 -5.381 15.483 1.885 1.00 71.04 H new ATOM 0 HE22 GLN A 10 -6.138 16.798 0.979 1.00 71.04 H new ATOM 157 N TYR A 11 -8.972 11.351 3.638 1.00 72.03 N ATOM 158 CA TYR A 11 -10.051 10.506 4.135 1.00 30.43 C ATOM 159 C TYR A 11 -10.932 11.269 5.120 1.00 43.24 C ATOM 160 O TYR A 11 -12.119 10.978 5.263 1.00 54.02 O ATOM 161 CB TYR A 11 -9.479 9.256 4.808 1.00 14.50 C ATOM 162 CG TYR A 11 -8.811 8.302 3.844 1.00 35.35 C ATOM 163 CD1 TYR A 11 -9.415 7.963 2.640 1.00 15.10 C ATOM 164 CD2 TYR A 11 -7.575 7.739 4.138 1.00 14.04 C ATOM 165 CE1 TYR A 11 -8.809 7.091 1.757 1.00 30.43 C ATOM 166 CE2 TYR A 11 -6.961 6.867 3.261 1.00 61.31 C ATOM 167 CZ TYR A 11 -7.582 6.545 2.072 1.00 42.30 C ATOM 168 OH TYR A 11 -6.974 5.677 1.195 1.00 62.14 O ATOM 0 H TYR A 11 -8.035 11.000 3.837 1.00 72.03 H new ATOM 0 HA TYR A 11 -10.664 10.206 3.285 1.00 30.43 H new ATOM 0 HB2 TYR A 11 -8.756 9.560 5.565 1.00 14.50 H new ATOM 0 HB3 TYR A 11 -10.282 8.733 5.326 1.00 14.50 H new ATOM 0 HD1 TYR A 11 -10.375 8.389 2.390 1.00 15.10 H new ATOM 0 HD2 TYR A 11 -7.086 7.988 5.068 1.00 14.04 H new ATOM 0 HE1 TYR A 11 -9.293 6.838 0.825 1.00 30.43 H new ATOM 0 HE2 TYR A 11 -6.000 6.439 3.505 1.00 61.31 H new ATOM 0 HH TYR A 11 -6.116 5.384 1.567 1.00 62.14 H new ATOM 178 N TYR A 12 -10.341 12.248 5.795 1.00 4.33 N ATOM 179 CA TYR A 12 -11.069 13.054 6.768 1.00 73.10 C ATOM 180 C TYR A 12 -12.245 13.770 6.111 1.00 42.45 C ATOM 181 O TYR A 12 -13.309 13.917 6.710 1.00 53.40 O ATOM 182 CB TYR A 12 -10.134 14.075 7.418 1.00 34.15 C ATOM 183 CG TYR A 12 -9.806 13.763 8.861 1.00 33.40 C ATOM 184 CD1 TYR A 12 -10.807 13.426 9.764 1.00 30.51 C ATOM 185 CD2 TYR A 12 -8.496 13.805 9.321 1.00 11.52 C ATOM 186 CE1 TYR A 12 -10.512 13.140 11.083 1.00 12.03 C ATOM 187 CE2 TYR A 12 -8.192 13.520 10.638 1.00 2.11 C ATOM 188 CZ TYR A 12 -9.203 13.188 11.515 1.00 12.23 C ATOM 189 OH TYR A 12 -8.904 12.905 12.828 1.00 34.42 O ATOM 0 H TYR A 12 -9.359 12.503 5.686 1.00 4.33 H new ATOM 0 HA TYR A 12 -11.457 12.386 7.537 1.00 73.10 H new ATOM 0 HB2 TYR A 12 -9.208 14.123 6.846 1.00 34.15 H new ATOM 0 HB3 TYR A 12 -10.593 15.062 7.364 1.00 34.15 H new ATOM 0 HD1 TYR A 12 -11.833 13.387 9.429 1.00 30.51 H new ATOM 0 HD2 TYR A 12 -7.701 14.065 8.637 1.00 11.52 H new ATOM 0 HE1 TYR A 12 -11.302 12.880 11.772 1.00 12.03 H new ATOM 0 HE2 TYR A 12 -7.168 13.557 10.979 1.00 2.11 H new ATOM 0 HH TYR A 12 -7.937 12.983 12.967 1.00 34.42 H new ATOM 199 N GLU A 13 -12.043 14.213 4.874 1.00 44.54 N ATOM 200 CA GLU A 13 -13.085 14.915 4.134 1.00 34.21 C ATOM 201 C GLU A 13 -14.278 13.999 3.875 1.00 52.13 C ATOM 202 O GLU A 13 -15.430 14.396 4.057 1.00 64.24 O ATOM 203 CB GLU A 13 -12.534 15.441 2.807 1.00 15.11 C ATOM 204 CG GLU A 13 -11.288 16.297 2.962 1.00 73.31 C ATOM 205 CD GLU A 13 -11.511 17.735 2.535 1.00 32.44 C ATOM 206 OE1 GLU A 13 -12.164 18.483 3.293 1.00 41.01 O ATOM 207 OE2 GLU A 13 -11.034 18.111 1.445 1.00 42.50 O ATOM 0 H GLU A 13 -11.167 14.098 4.363 1.00 44.54 H new ATOM 0 HA GLU A 13 -13.420 15.758 4.739 1.00 34.21 H new ATOM 0 HB2 GLU A 13 -12.306 14.596 2.158 1.00 15.11 H new ATOM 0 HB3 GLU A 13 -13.307 16.026 2.309 1.00 15.11 H new ATOM 0 HG2 GLU A 13 -10.965 16.277 4.003 1.00 73.31 H new ATOM 0 HG3 GLU A 13 -10.480 15.867 2.369 1.00 73.31 H new ATOM 214 N ILE A 14 -13.994 12.773 3.448 1.00 4.24 N ATOM 215 CA ILE A 14 -15.042 11.801 3.165 1.00 40.15 C ATOM 216 C ILE A 14 -15.761 11.379 4.441 1.00 3.05 C ATOM 217 O ILE A 14 -16.986 11.266 4.467 1.00 61.04 O ATOM 218 CB ILE A 14 -14.475 10.549 2.470 1.00 74.22 C ATOM 219 CG1 ILE A 14 -13.840 10.926 1.130 1.00 71.41 C ATOM 220 CG2 ILE A 14 -15.571 9.513 2.270 1.00 72.41 C ATOM 221 CD1 ILE A 14 -12.336 11.071 1.194 1.00 62.00 C ATOM 0 H ILE A 14 -13.047 12.430 3.291 1.00 4.24 H new ATOM 0 HA ILE A 14 -15.752 12.288 2.496 1.00 40.15 H new ATOM 0 HB ILE A 14 -13.704 10.116 3.107 1.00 74.22 H new ATOM 0 HG12 ILE A 14 -14.093 10.166 0.391 1.00 71.41 H new ATOM 0 HG13 ILE A 14 -14.273 11.864 0.783 1.00 71.41 H new ATOM 0 HG21 ILE A 14 -15.155 8.634 1.778 1.00 72.41 H new ATOM 0 HG22 ILE A 14 -15.982 9.227 3.238 1.00 72.41 H new ATOM 0 HG23 ILE A 14 -16.362 9.935 1.651 1.00 72.41 H new ATOM 0 HD11 ILE A 14 -11.954 11.339 0.209 1.00 62.00 H new ATOM 0 HD12 ILE A 14 -12.076 11.852 1.909 1.00 62.00 H new ATOM 0 HD13 ILE A 14 -11.893 10.127 1.510 1.00 62.00 H new ATOM 233 N GLN A 15 -14.990 11.149 5.500 1.00 41.34 N ATOM 234 CA GLN A 15 -15.554 10.741 6.781 1.00 62.13 C ATOM 235 C GLN A 15 -16.413 11.851 7.376 1.00 52.40 C ATOM 236 O GLN A 15 -17.542 11.613 7.806 1.00 75.13 O ATOM 237 CB GLN A 15 -14.438 10.365 7.757 1.00 64.14 C ATOM 238 CG GLN A 15 -13.552 9.233 7.261 1.00 33.34 C ATOM 239 CD GLN A 15 -12.216 9.182 7.975 1.00 30.55 C ATOM 240 OE1 GLN A 15 -11.555 10.205 8.154 1.00 31.02 O ATOM 241 NE2 GLN A 15 -11.811 7.986 8.389 1.00 44.44 N ATOM 0 H GLN A 15 -13.974 11.238 5.496 1.00 41.34 H new ATOM 0 HA GLN A 15 -16.186 9.870 6.610 1.00 62.13 H new ATOM 0 HB2 GLN A 15 -13.820 11.243 7.945 1.00 64.14 H new ATOM 0 HB3 GLN A 15 -14.882 10.077 8.710 1.00 64.14 H new ATOM 0 HG2 GLN A 15 -14.070 8.284 7.399 1.00 33.34 H new ATOM 0 HG3 GLN A 15 -13.383 9.351 6.191 1.00 33.34 H new ATOM 0 HE21 GLN A 15 -12.391 7.164 8.219 1.00 44.44 H new ATOM 0 HE22 GLN A 15 -10.920 7.890 8.876 1.00 44.44 H new ATOM 250 N CYS A 16 -15.872 13.064 7.398 1.00 5.04 N ATOM 251 CA CYS A 16 -16.589 14.212 7.942 1.00 24.25 C ATOM 252 C CYS A 16 -17.904 14.432 7.203 1.00 71.45 C ATOM 253 O CYS A 16 -18.911 14.803 7.804 1.00 71.13 O ATOM 254 CB CYS A 16 -15.723 15.469 7.853 1.00 1.42 C ATOM 255 SG CYS A 16 -16.151 16.747 9.058 1.00 12.44 S ATOM 0 H CYS A 16 -14.939 13.278 7.045 1.00 5.04 H new ATOM 0 HA CYS A 16 -16.812 14.007 8.989 1.00 24.25 H new ATOM 0 HB2 CYS A 16 -14.679 15.189 7.992 1.00 1.42 H new ATOM 0 HB3 CYS A 16 -15.810 15.887 6.850 1.00 1.42 H new ATOM 0 HG CYS A 16 -15.362 17.769 8.905 1.00 12.44 H new ATOM 261 N ASN A 17 -17.886 14.201 5.894 1.00 55.23 N ATOM 262 CA ASN A 17 -19.078 14.376 5.071 1.00 43.33 C ATOM 263 C ASN A 17 -20.222 13.503 5.577 1.00 63.13 C ATOM 264 O ASN A 17 -21.389 13.884 5.496 1.00 42.23 O ATOM 265 CB ASN A 17 -18.769 14.037 3.611 1.00 20.31 C ATOM 266 CG ASN A 17 -19.962 13.437 2.892 1.00 21.44 C ATOM 267 OD1 ASN A 17 -20.924 14.135 2.572 1.00 2.34 O ATOM 268 ND2 ASN A 17 -19.904 12.135 2.635 1.00 13.13 N ATOM 0 H ASN A 17 -17.060 13.893 5.381 1.00 55.23 H new ATOM 0 HA ASN A 17 -19.385 15.420 5.138 1.00 43.33 H new ATOM 0 HB2 ASN A 17 -18.451 14.940 3.090 1.00 20.31 H new ATOM 0 HB3 ASN A 17 -17.935 13.337 3.572 1.00 20.31 H new ATOM 0 HD21 ASN A 17 -20.677 11.675 2.154 1.00 13.13 H new ATOM 0 HD22 ASN A 17 -19.086 11.595 2.919 1.00 13.13 H new ATOM 275 N GLU A 18 -19.877 12.330 6.099 1.00 32.01 N ATOM 276 CA GLU A 18 -20.876 11.403 6.618 1.00 21.20 C ATOM 277 C GLU A 18 -21.554 11.973 7.861 1.00 64.32 C ATOM 278 O GLU A 18 -22.758 11.803 8.058 1.00 4.33 O ATOM 279 CB GLU A 18 -20.230 10.055 6.948 1.00 13.43 C ATOM 280 CG GLU A 18 -20.056 9.151 5.740 1.00 54.35 C ATOM 281 CD GLU A 18 -19.009 8.077 5.960 1.00 2.42 C ATOM 282 OE1 GLU A 18 -17.816 8.428 6.075 1.00 4.22 O ATOM 283 OE2 GLU A 18 -19.381 6.887 6.018 1.00 54.14 O ATOM 0 H GLU A 18 -18.915 12.000 6.174 1.00 32.01 H new ATOM 0 HA GLU A 18 -21.633 11.256 5.848 1.00 21.20 H new ATOM 0 HB2 GLU A 18 -19.255 10.231 7.403 1.00 13.43 H new ATOM 0 HB3 GLU A 18 -20.841 9.541 7.691 1.00 13.43 H new ATOM 0 HG2 GLU A 18 -21.010 8.680 5.503 1.00 54.35 H new ATOM 0 HG3 GLU A 18 -19.776 9.755 4.877 1.00 54.35 H new ATOM 290 N LEU A 19 -20.772 12.648 8.696 1.00 12.22 N ATOM 291 CA LEU A 19 -21.295 13.243 9.921 1.00 53.40 C ATOM 292 C LEU A 19 -22.327 14.322 9.605 1.00 63.11 C ATOM 293 O LEU A 19 -23.435 14.309 10.138 1.00 33.45 O ATOM 294 CB LEU A 19 -20.155 13.839 10.749 1.00 35.23 C ATOM 295 CG LEU A 19 -19.318 12.843 11.553 1.00 75.11 C ATOM 296 CD1 LEU A 19 -18.735 11.776 10.639 1.00 12.32 C ATOM 297 CD2 LEU A 19 -18.212 13.564 12.308 1.00 23.15 C ATOM 0 H LEU A 19 -19.774 12.797 8.547 1.00 12.22 H new ATOM 0 HA LEU A 19 -21.783 12.457 10.498 1.00 53.40 H new ATOM 0 HB2 LEU A 19 -19.491 14.383 10.077 1.00 35.23 H new ATOM 0 HB3 LEU A 19 -20.577 14.569 11.440 1.00 35.23 H new ATOM 0 HG LEU A 19 -19.967 12.354 12.279 1.00 75.11 H new ATOM 0 HD11 LEU A 19 -18.143 11.076 11.228 1.00 12.32 H new ATOM 0 HD12 LEU A 19 -19.544 11.239 10.144 1.00 12.32 H new ATOM 0 HD13 LEU A 19 -18.100 12.247 9.889 1.00 12.32 H new ATOM 0 HD21 LEU A 19 -17.626 12.840 12.875 1.00 23.15 H new ATOM 0 HD22 LEU A 19 -17.564 14.080 11.599 1.00 23.15 H new ATOM 0 HD23 LEU A 19 -18.652 14.290 12.992 1.00 23.15 H new ATOM 309 N GLU A 20 -21.953 15.253 8.732 1.00 35.14 N ATOM 310 CA GLU A 20 -22.848 16.338 8.345 1.00 65.44 C ATOM 311 C GLU A 20 -24.021 15.809 7.525 1.00 62.24 C ATOM 312 O GLU A 20 -25.138 16.315 7.623 1.00 73.33 O ATOM 313 CB GLU A 20 -22.085 17.394 7.542 1.00 14.33 C ATOM 314 CG GLU A 20 -21.076 16.809 6.569 1.00 30.31 C ATOM 315 CD GLU A 20 -20.553 17.835 5.583 1.00 11.10 C ATOM 316 OE1 GLU A 20 -19.660 18.621 5.963 1.00 11.14 O ATOM 317 OE2 GLU A 20 -21.036 17.853 4.432 1.00 75.21 O ATOM 0 H GLU A 20 -21.039 15.278 8.280 1.00 35.14 H new ATOM 0 HA GLU A 20 -23.240 16.795 9.254 1.00 65.44 H new ATOM 0 HB2 GLU A 20 -22.799 18.003 6.988 1.00 14.33 H new ATOM 0 HB3 GLU A 20 -21.567 18.059 8.233 1.00 14.33 H new ATOM 0 HG2 GLU A 20 -20.240 16.389 7.128 1.00 30.31 H new ATOM 0 HG3 GLU A 20 -21.539 15.988 6.022 1.00 30.31 H new ATOM 324 N ALA A 21 -23.757 14.788 6.715 1.00 11.04 N ATOM 325 CA ALA A 21 -24.790 14.189 5.879 1.00 11.33 C ATOM 326 C ALA A 21 -25.850 13.496 6.728 1.00 14.54 C ATOM 327 O ALA A 21 -27.047 13.725 6.552 1.00 54.24 O ATOM 328 CB ALA A 21 -24.170 13.205 4.899 1.00 74.15 C ATOM 0 H ALA A 21 -22.837 14.359 6.620 1.00 11.04 H new ATOM 0 HA ALA A 21 -25.276 14.987 5.318 1.00 11.33 H new ATOM 0 HB1 ALA A 21 -24.953 12.765 4.281 1.00 74.15 H new ATOM 0 HB2 ALA A 21 -23.455 13.727 4.263 1.00 74.15 H new ATOM 0 HB3 ALA A 21 -23.657 12.417 5.450 1.00 74.15 H new ATOM 334 N ILE A 22 -25.404 12.649 7.649 1.00 5.12 N ATOM 335 CA ILE A 22 -26.315 11.924 8.525 1.00 22.44 C ATOM 336 C ILE A 22 -26.899 12.842 9.593 1.00 0.41 C ATOM 337 O ILE A 22 -28.052 12.689 9.995 1.00 33.44 O ATOM 338 CB ILE A 22 -25.611 10.739 9.213 1.00 61.21 C ATOM 339 CG1 ILE A 22 -25.613 9.514 8.296 1.00 42.23 C ATOM 340 CG2 ILE A 22 -26.287 10.417 10.537 1.00 74.30 C ATOM 341 CD1 ILE A 22 -25.431 9.854 6.833 1.00 14.50 C ATOM 0 H ILE A 22 -24.417 12.448 7.808 1.00 5.12 H new ATOM 0 HA ILE A 22 -27.120 11.543 7.896 1.00 22.44 H new ATOM 0 HB ILE A 22 -24.577 11.017 9.414 1.00 61.21 H new ATOM 0 HG12 ILE A 22 -24.816 8.837 8.605 1.00 42.23 H new ATOM 0 HG13 ILE A 22 -26.554 8.978 8.422 1.00 42.23 H new ATOM 0 HG21 ILE A 22 -25.778 9.578 11.011 1.00 74.30 H new ATOM 0 HG22 ILE A 22 -26.238 11.287 11.192 1.00 74.30 H new ATOM 0 HG23 ILE A 22 -27.330 10.155 10.359 1.00 74.30 H new ATOM 0 HD11 ILE A 22 -25.443 8.938 6.242 1.00 14.50 H new ATOM 0 HD12 ILE A 22 -26.242 10.506 6.507 1.00 14.50 H new ATOM 0 HD13 ILE A 22 -24.478 10.363 6.694 1.00 14.50 H new ATOM 353 N ARG A 23 -26.096 13.799 10.047 1.00 44.03 N ATOM 354 CA ARG A 23 -26.533 14.744 11.067 1.00 20.34 C ATOM 355 C ARG A 23 -27.842 15.414 10.662 1.00 14.32 C ATOM 356 O ARG A 23 -28.688 15.709 11.507 1.00 4.51 O ATOM 357 CB ARG A 23 -25.457 15.804 11.306 1.00 43.44 C ATOM 358 CG ARG A 23 -24.466 15.432 12.396 1.00 1.55 C ATOM 359 CD ARG A 23 -23.198 16.267 12.305 1.00 24.41 C ATOM 360 NE ARG A 23 -23.404 17.631 12.782 1.00 14.23 N ATOM 361 CZ ARG A 23 -22.532 18.615 12.596 1.00 43.10 C ATOM 362 NH1 ARG A 23 -21.399 18.387 11.946 1.00 71.24 N ATOM 363 NH2 ARG A 23 -22.791 19.831 13.060 1.00 34.22 N ATOM 0 H ARG A 23 -25.139 13.940 9.724 1.00 44.03 H new ATOM 0 HA ARG A 23 -26.699 14.191 11.991 1.00 20.34 H new ATOM 0 HB2 ARG A 23 -24.914 15.974 10.376 1.00 43.44 H new ATOM 0 HB3 ARG A 23 -25.939 16.745 11.571 1.00 43.44 H new ATOM 0 HG2 ARG A 23 -24.928 15.575 13.373 1.00 1.55 H new ATOM 0 HG3 ARG A 23 -24.213 14.375 12.314 1.00 1.55 H new ATOM 0 HD2 ARG A 23 -22.410 15.794 12.891 1.00 24.41 H new ATOM 0 HD3 ARG A 23 -22.855 16.293 11.271 1.00 24.41 H new ATOM 0 HE ARG A 23 -24.266 17.840 13.286 1.00 14.23 H new ATOM 0 HH11 ARG A 23 -21.196 17.454 11.587 1.00 71.24 H new ATOM 0 HH12 ARG A 23 -20.731 19.145 11.804 1.00 71.24 H new ATOM 0 HH21 ARG A 23 -23.661 20.011 13.561 1.00 34.22 H new ATOM 0 HH22 ARG A 23 -22.120 20.585 12.916 1.00 34.22 H new ATOM 377 N SER A 24 -28.003 15.652 9.364 1.00 4.24 N ATOM 378 CA SER A 24 -29.207 16.292 8.847 1.00 22.14 C ATOM 379 C SER A 24 -30.421 15.386 9.023 1.00 74.50 C ATOM 380 O SER A 24 -31.530 15.857 9.279 1.00 44.42 O ATOM 381 CB SER A 24 -29.028 16.644 7.369 1.00 33.13 C ATOM 382 OG SER A 24 -29.102 18.044 7.166 1.00 12.41 O ATOM 0 H SER A 24 -27.314 15.411 8.651 1.00 4.24 H new ATOM 0 HA SER A 24 -29.374 17.208 9.413 1.00 22.14 H new ATOM 0 HB2 SER A 24 -28.065 16.273 7.017 1.00 33.13 H new ATOM 0 HB3 SER A 24 -29.797 16.146 6.778 1.00 33.13 H new ATOM 0 HG SER A 24 -28.983 18.243 6.214 1.00 12.41 H new ATOM 388 N ILE A 25 -30.204 14.082 8.884 1.00 51.15 N ATOM 389 CA ILE A 25 -31.280 13.109 9.028 1.00 41.25 C ATOM 390 C ILE A 25 -31.570 12.824 10.497 1.00 12.22 C ATOM 391 O ILE A 25 -32.727 12.784 10.916 1.00 75.13 O ATOM 392 CB ILE A 25 -30.941 11.786 8.317 1.00 63.41 C ATOM 393 CG1 ILE A 25 -30.727 12.025 6.821 1.00 62.01 C ATOM 394 CG2 ILE A 25 -32.046 10.765 8.543 1.00 61.22 C ATOM 395 CD1 ILE A 25 -29.376 11.562 6.322 1.00 71.42 C ATOM 0 H ILE A 25 -29.293 13.675 8.672 1.00 51.15 H new ATOM 0 HA ILE A 25 -32.164 13.545 8.564 1.00 41.25 H new ATOM 0 HB ILE A 25 -30.016 11.391 8.738 1.00 63.41 H new ATOM 0 HG12 ILE A 25 -31.508 11.508 6.263 1.00 62.01 H new ATOM 0 HG13 ILE A 25 -30.837 13.089 6.612 1.00 62.01 H new ATOM 0 HG21 ILE A 25 -31.792 9.835 8.034 1.00 61.22 H new ATOM 0 HG22 ILE A 25 -32.154 10.576 9.611 1.00 61.22 H new ATOM 0 HG23 ILE A 25 -32.985 11.151 8.146 1.00 61.22 H new ATOM 0 HD11 ILE A 25 -29.294 11.763 5.254 1.00 71.42 H new ATOM 0 HD12 ILE A 25 -28.589 12.097 6.853 1.00 71.42 H new ATOM 0 HD13 ILE A 25 -29.270 10.492 6.499 1.00 71.42 H new ATOM 407 N TYR A 26 -30.512 12.629 11.276 1.00 33.23 N ATOM 408 CA TYR A 26 -30.653 12.347 12.700 1.00 52.11 C ATOM 409 C TYR A 26 -30.243 13.554 13.537 1.00 5.35 C ATOM 410 O TYR A 26 -29.522 13.421 14.526 1.00 11.53 O ATOM 411 CB TYR A 26 -29.808 11.132 13.087 1.00 43.51 C ATOM 412 CG TYR A 26 -30.214 9.861 12.376 1.00 5.03 C ATOM 413 CD1 TYR A 26 -31.552 9.508 12.253 1.00 42.25 C ATOM 414 CD2 TYR A 26 -29.259 9.012 11.830 1.00 51.23 C ATOM 415 CE1 TYR A 26 -31.927 8.347 11.605 1.00 54.22 C ATOM 416 CE2 TYR A 26 -29.626 7.850 11.179 1.00 5.10 C ATOM 417 CZ TYR A 26 -30.961 7.522 11.069 1.00 23.23 C ATOM 418 OH TYR A 26 -31.330 6.364 10.423 1.00 3.22 O ATOM 0 H TYR A 26 -29.547 12.661 10.946 1.00 33.23 H new ATOM 0 HA TYR A 26 -31.702 12.129 12.899 1.00 52.11 H new ATOM 0 HB2 TYR A 26 -28.761 11.343 12.867 1.00 43.51 H new ATOM 0 HB3 TYR A 26 -29.882 10.976 14.163 1.00 43.51 H new ATOM 0 HD1 TYR A 26 -32.312 10.152 12.671 1.00 42.25 H new ATOM 0 HD2 TYR A 26 -28.213 9.265 11.916 1.00 51.23 H new ATOM 0 HE1 TYR A 26 -32.972 8.087 11.519 1.00 54.22 H new ATOM 0 HE2 TYR A 26 -28.871 7.202 10.758 1.00 5.10 H new ATOM 0 HH TYR A 26 -30.681 6.162 9.717 1.00 3.22 H new ATOM 428 N MET A 27 -30.707 14.732 13.134 1.00 54.04 N ATOM 429 CA MET A 27 -30.391 15.964 13.847 1.00 24.33 C ATOM 430 C MET A 27 -30.496 15.761 15.355 1.00 33.34 C ATOM 431 O MET A 27 -29.554 16.042 16.097 1.00 54.35 O ATOM 432 CB MET A 27 -31.328 17.090 13.406 1.00 64.43 C ATOM 433 CG MET A 27 -31.394 17.268 11.898 1.00 51.54 C ATOM 434 SD MET A 27 -33.086 17.383 11.286 1.00 73.43 S ATOM 435 CE MET A 27 -33.664 15.712 11.573 1.00 23.42 C ATOM 0 H MET A 27 -31.304 14.860 12.317 1.00 54.04 H new ATOM 0 HA MET A 27 -29.365 16.241 13.605 1.00 24.33 H new ATOM 0 HB2 MET A 27 -32.330 16.887 13.784 1.00 64.43 H new ATOM 0 HB3 MET A 27 -30.999 18.025 13.860 1.00 64.43 H new ATOM 0 HG2 MET A 27 -30.848 18.169 11.618 1.00 51.54 H new ATOM 0 HG3 MET A 27 -30.893 16.429 11.415 1.00 51.54 H new ATOM 0 HE1 MET A 27 -34.752 15.710 11.642 1.00 23.42 H new ATOM 0 HE2 MET A 27 -33.351 15.072 10.748 1.00 23.42 H new ATOM 0 HE3 MET A 27 -33.241 15.336 12.504 1.00 23.42 H new ATOM 445 N ASP A 28 -31.647 15.271 15.803 1.00 53.13 N ATOM 446 CA ASP A 28 -31.875 15.030 17.223 1.00 73.23 C ATOM 447 C ASP A 28 -31.521 13.593 17.594 1.00 44.34 C ATOM 448 O ASP A 28 -31.210 13.298 18.748 1.00 54.21 O ATOM 449 CB ASP A 28 -33.334 15.318 17.583 1.00 24.50 C ATOM 450 CG ASP A 28 -33.467 16.406 18.630 1.00 35.53 C ATOM 451 OD1 ASP A 28 -32.694 16.384 19.611 1.00 34.21 O ATOM 452 OD2 ASP A 28 -34.345 17.279 18.469 1.00 44.23 O ATOM 0 H ASP A 28 -32.437 15.033 15.203 1.00 53.13 H new ATOM 0 HA ASP A 28 -31.230 15.702 17.789 1.00 73.23 H new ATOM 0 HB2 ASP A 28 -33.875 15.614 16.684 1.00 24.50 H new ATOM 0 HB3 ASP A 28 -33.802 14.405 17.951 1.00 24.50 H new ATOM 457 N ASP A 29 -31.570 12.704 16.608 1.00 62.00 N ATOM 458 CA ASP A 29 -31.254 11.298 16.830 1.00 22.24 C ATOM 459 C ASP A 29 -29.756 11.048 16.683 1.00 32.50 C ATOM 460 O ASP A 29 -29.333 9.953 16.310 1.00 42.31 O ATOM 461 CB ASP A 29 -32.030 10.417 15.849 1.00 5.35 C ATOM 462 CG ASP A 29 -33.509 10.352 16.175 1.00 2.31 C ATOM 463 OD1 ASP A 29 -33.898 9.496 16.997 1.00 41.52 O ATOM 464 OD2 ASP A 29 -34.278 11.157 15.607 1.00 25.45 O ATOM 0 H ASP A 29 -31.826 12.932 15.647 1.00 62.00 H new ATOM 0 HA ASP A 29 -31.549 11.041 17.847 1.00 22.24 H new ATOM 0 HB2 ASP A 29 -31.900 10.803 14.838 1.00 5.35 H new ATOM 0 HB3 ASP A 29 -31.613 9.410 15.862 1.00 5.35 H new ATOM 469 N PHE A 30 -28.959 12.069 16.977 1.00 1.24 N ATOM 470 CA PHE A 30 -27.508 11.961 16.876 1.00 72.13 C ATOM 471 C PHE A 30 -26.858 12.058 18.253 1.00 62.14 C ATOM 472 O PHE A 30 -27.321 12.798 19.121 1.00 50.42 O ATOM 473 CB PHE A 30 -26.957 13.056 15.960 1.00 22.04 C ATOM 474 CG PHE A 30 -25.490 13.315 16.152 1.00 63.21 C ATOM 475 CD1 PHE A 30 -25.019 13.869 17.331 1.00 25.32 C ATOM 476 CD2 PHE A 30 -24.582 13.004 15.152 1.00 2.52 C ATOM 477 CE1 PHE A 30 -23.669 14.108 17.511 1.00 70.22 C ATOM 478 CE2 PHE A 30 -23.231 13.241 15.326 1.00 33.12 C ATOM 479 CZ PHE A 30 -22.774 13.794 16.506 1.00 14.44 C ATOM 0 H PHE A 30 -29.293 12.981 17.287 1.00 1.24 H new ATOM 0 HA PHE A 30 -27.270 10.987 16.450 1.00 72.13 H new ATOM 0 HB2 PHE A 30 -27.135 12.775 14.922 1.00 22.04 H new ATOM 0 HB3 PHE A 30 -27.508 13.980 16.139 1.00 22.04 H new ATOM 0 HD1 PHE A 30 -25.715 14.117 18.119 1.00 25.32 H new ATOM 0 HD2 PHE A 30 -24.934 12.572 14.227 1.00 2.52 H new ATOM 0 HE1 PHE A 30 -23.315 14.539 18.436 1.00 70.22 H new ATOM 0 HE2 PHE A 30 -22.533 12.994 14.539 1.00 33.12 H new ATOM 0 HZ PHE A 30 -21.719 13.981 16.643 1.00 14.44 H new ATOM 489 N THR A 31 -25.780 11.304 18.446 1.00 72.40 N ATOM 490 CA THR A 31 -25.066 11.302 19.717 1.00 52.15 C ATOM 491 C THR A 31 -23.596 11.655 19.521 1.00 31.35 C ATOM 492 O THR A 31 -22.917 11.078 18.672 1.00 22.42 O ATOM 493 CB THR A 31 -25.166 9.933 20.415 1.00 23.12 C ATOM 494 OG1 THR A 31 -26.522 9.673 20.792 1.00 75.40 O ATOM 495 CG2 THR A 31 -24.274 9.888 21.647 1.00 14.12 C ATOM 0 H THR A 31 -25.382 10.687 17.738 1.00 72.40 H new ATOM 0 HA THR A 31 -25.537 12.057 20.347 1.00 52.15 H new ATOM 0 HB THR A 31 -24.831 9.167 19.715 1.00 23.12 H new ATOM 0 HG1 THR A 31 -26.577 8.800 21.234 1.00 75.40 H new ATOM 0 HG21 THR A 31 -24.361 8.912 22.124 1.00 14.12 H new ATOM 0 HG22 THR A 31 -23.238 10.057 21.353 1.00 14.12 H new ATOM 0 HG23 THR A 31 -24.583 10.663 22.348 1.00 14.12 H new ATOM 503 N ASP A 32 -23.110 12.605 20.313 1.00 34.40 N ATOM 504 CA ASP A 32 -21.719 13.033 20.228 1.00 30.04 C ATOM 505 C ASP A 32 -20.868 12.325 21.278 1.00 2.42 C ATOM 506 O ASP A 32 -21.046 12.532 22.479 1.00 20.34 O ATOM 507 CB ASP A 32 -21.618 14.548 20.409 1.00 42.42 C ATOM 508 CG ASP A 32 -20.689 15.191 19.397 1.00 14.11 C ATOM 509 OD1 ASP A 32 -19.475 14.905 19.442 1.00 42.24 O ATOM 510 OD2 ASP A 32 -21.177 15.981 18.561 1.00 33.23 O ATOM 0 H ASP A 32 -23.659 13.093 21.021 1.00 34.40 H new ATOM 0 HA ASP A 32 -21.342 12.767 19.241 1.00 30.04 H new ATOM 0 HB2 ASP A 32 -22.611 14.989 20.318 1.00 42.42 H new ATOM 0 HB3 ASP A 32 -21.262 14.768 21.416 1.00 42.42 H new ATOM 515 N LEU A 33 -19.943 11.490 20.818 1.00 74.14 N ATOM 516 CA LEU A 33 -19.064 10.750 21.717 1.00 55.23 C ATOM 517 C LEU A 33 -17.607 11.147 21.502 1.00 73.40 C ATOM 518 O LEU A 33 -16.754 10.908 22.358 1.00 55.22 O ATOM 519 CB LEU A 33 -19.232 9.245 21.502 1.00 54.01 C ATOM 520 CG LEU A 33 -18.094 8.541 20.763 1.00 44.31 C ATOM 521 CD1 LEU A 33 -18.467 7.099 20.456 1.00 1.33 C ATOM 522 CD2 LEU A 33 -17.747 9.288 19.483 1.00 24.01 C ATOM 0 H LEU A 33 -19.782 11.308 19.827 1.00 74.14 H new ATOM 0 HA LEU A 33 -19.341 10.997 22.742 1.00 55.23 H new ATOM 0 HB2 LEU A 33 -19.354 8.771 22.476 1.00 54.01 H new ATOM 0 HB3 LEU A 33 -20.156 9.078 20.948 1.00 54.01 H new ATOM 0 HG LEU A 33 -17.215 8.537 21.408 1.00 44.31 H new ATOM 0 HD11 LEU A 33 -17.644 6.615 19.930 1.00 1.33 H new ATOM 0 HD12 LEU A 33 -18.665 6.568 21.387 1.00 1.33 H new ATOM 0 HD13 LEU A 33 -19.359 7.079 19.831 1.00 1.33 H new ATOM 0 HD21 LEU A 33 -16.935 8.773 18.970 1.00 24.01 H new ATOM 0 HD22 LEU A 33 -18.622 9.323 18.834 1.00 24.01 H new ATOM 0 HD23 LEU A 33 -17.435 10.303 19.727 1.00 24.01 H new ATOM 534 N THR A 34 -17.328 11.756 20.354 1.00 70.44 N ATOM 535 CA THR A 34 -15.975 12.186 20.026 1.00 2.54 C ATOM 536 C THR A 34 -15.227 12.646 21.273 1.00 34.21 C ATOM 537 O THR A 34 -15.333 13.802 21.682 1.00 5.40 O ATOM 538 CB THR A 34 -15.983 13.331 18.996 1.00 54.31 C ATOM 539 OG1 THR A 34 -16.940 13.057 17.966 1.00 31.44 O ATOM 540 CG2 THR A 34 -14.605 13.514 18.379 1.00 52.33 C ATOM 0 H THR A 34 -18.022 11.963 19.635 1.00 70.44 H new ATOM 0 HA THR A 34 -15.465 11.324 19.596 1.00 2.54 H new ATOM 0 HB THR A 34 -16.258 14.251 19.511 1.00 54.31 H new ATOM 0 HG1 THR A 34 -16.852 12.125 17.677 1.00 31.44 H new ATOM 0 HG21 THR A 34 -14.636 14.328 17.655 1.00 52.33 H new ATOM 0 HG22 THR A 34 -13.885 13.752 19.162 1.00 52.33 H new ATOM 0 HG23 THR A 34 -14.306 12.594 17.878 1.00 52.33 H new ATOM 727 N GLN A 45 -11.277 10.470 15.994 1.00 12.14 N ATOM 728 CA GLN A 45 -11.000 10.348 14.568 1.00 54.20 C ATOM 729 C GLN A 45 -12.269 10.557 13.748 1.00 70.35 C ATOM 730 O GLN A 45 -12.430 9.971 12.676 1.00 11.04 O ATOM 731 CB GLN A 45 -10.399 8.976 14.259 1.00 2.21 C ATOM 732 CG GLN A 45 -11.411 7.843 14.309 1.00 61.01 C ATOM 733 CD GLN A 45 -10.766 6.478 14.173 1.00 63.12 C ATOM 734 OE1 GLN A 45 -9.937 6.255 13.289 1.00 11.44 O ATOM 735 NE2 GLN A 45 -11.143 5.555 15.049 1.00 23.54 N ATOM 0 HA GLN A 45 -10.281 11.121 14.295 1.00 54.20 H new ATOM 0 HB2 GLN A 45 -9.944 9.002 13.269 1.00 2.21 H new ATOM 0 HB3 GLN A 45 -9.600 8.770 14.971 1.00 2.21 H new ATOM 0 HG2 GLN A 45 -11.957 7.890 15.251 1.00 61.01 H new ATOM 0 HG3 GLN A 45 -12.141 7.977 13.510 1.00 61.01 H new ATOM 0 HE21 GLN A 45 -11.833 5.783 15.765 1.00 23.54 H new ATOM 0 HE22 GLN A 45 -10.743 4.618 15.006 1.00 23.54 H new ATOM 744 N ILE A 46 -13.166 11.394 14.257 1.00 34.42 N ATOM 745 CA ILE A 46 -14.420 11.679 13.571 1.00 52.32 C ATOM 746 C ILE A 46 -15.491 10.657 13.934 1.00 33.44 C ATOM 747 O ILE A 46 -16.609 10.704 13.419 1.00 21.25 O ATOM 748 CB ILE A 46 -14.235 11.691 12.042 1.00 71.31 C ATOM 749 CG1 ILE A 46 -15.027 12.843 11.419 1.00 25.51 C ATOM 750 CG2 ILE A 46 -14.669 10.360 11.446 1.00 24.30 C ATOM 751 CD1 ILE A 46 -14.167 14.025 11.029 1.00 32.14 C ATOM 0 H ILE A 46 -13.048 11.887 15.142 1.00 34.42 H new ATOM 0 HA ILE A 46 -14.740 12.668 13.898 1.00 52.32 H new ATOM 0 HB ILE A 46 -13.178 11.840 11.820 1.00 71.31 H new ATOM 0 HG12 ILE A 46 -15.551 12.478 10.536 1.00 25.51 H new ATOM 0 HG13 ILE A 46 -15.788 13.175 12.126 1.00 25.51 H new ATOM 0 HG21 ILE A 46 -14.532 10.384 10.365 1.00 24.30 H new ATOM 0 HG22 ILE A 46 -14.066 9.557 11.870 1.00 24.30 H new ATOM 0 HG23 ILE A 46 -15.720 10.184 11.675 1.00 24.30 H new ATOM 0 HD11 ILE A 46 -14.794 14.803 10.594 1.00 32.14 H new ATOM 0 HD12 ILE A 46 -13.664 14.416 11.913 1.00 32.14 H new ATOM 0 HD13 ILE A 46 -13.423 13.708 10.298 1.00 32.14 H new ATOM 763 N ILE A 47 -15.143 9.735 14.825 1.00 30.44 N ATOM 764 CA ILE A 47 -16.076 8.702 15.260 1.00 3.32 C ATOM 765 C ILE A 47 -17.237 9.305 16.043 1.00 0.24 C ATOM 766 O ILE A 47 -17.076 10.307 16.741 1.00 61.20 O ATOM 767 CB ILE A 47 -15.377 7.644 16.134 1.00 62.24 C ATOM 768 CG1 ILE A 47 -14.936 8.258 17.464 1.00 52.53 C ATOM 769 CG2 ILE A 47 -14.185 7.052 15.397 1.00 44.24 C ATOM 770 CD1 ILE A 47 -13.734 9.168 17.340 1.00 24.32 C ATOM 0 H ILE A 47 -14.222 9.682 15.260 1.00 30.44 H new ATOM 0 HA ILE A 47 -16.458 8.222 14.359 1.00 3.32 H new ATOM 0 HB ILE A 47 -16.085 6.842 16.343 1.00 62.24 H new ATOM 0 HG12 ILE A 47 -15.767 8.822 17.888 1.00 52.53 H new ATOM 0 HG13 ILE A 47 -14.704 7.457 18.166 1.00 52.53 H new ATOM 0 HG21 ILE A 47 -13.701 6.306 16.028 1.00 44.24 H new ATOM 0 HG22 ILE A 47 -14.525 6.582 14.474 1.00 44.24 H new ATOM 0 HG23 ILE A 47 -13.474 7.843 15.161 1.00 44.24 H new ATOM 0 HD11 ILE A 47 -13.477 9.568 18.321 1.00 24.32 H new ATOM 0 HD12 ILE A 47 -12.889 8.603 16.946 1.00 24.32 H new ATOM 0 HD13 ILE A 47 -13.968 9.990 16.663 1.00 24.32 H new ATOM 782 N PHE A 48 -18.408 8.687 15.925 1.00 45.43 N ATOM 783 CA PHE A 48 -19.597 9.162 16.622 1.00 2.23 C ATOM 784 C PHE A 48 -20.652 8.063 16.709 1.00 43.10 C ATOM 785 O PHE A 48 -20.587 7.069 15.987 1.00 53.14 O ATOM 786 CB PHE A 48 -20.177 10.386 15.911 1.00 42.34 C ATOM 787 CG PHE A 48 -20.726 10.082 14.546 1.00 0.22 C ATOM 788 CD1 PHE A 48 -19.883 9.701 13.515 1.00 71.32 C ATOM 789 CD2 PHE A 48 -22.085 10.178 14.295 1.00 52.32 C ATOM 790 CE1 PHE A 48 -20.385 9.420 12.258 1.00 32.30 C ATOM 791 CE2 PHE A 48 -22.593 9.898 13.040 1.00 11.23 C ATOM 792 CZ PHE A 48 -21.742 9.520 12.020 1.00 30.44 C ATOM 0 H PHE A 48 -18.558 7.856 15.353 1.00 45.43 H new ATOM 0 HA PHE A 48 -19.306 9.443 17.634 1.00 2.23 H new ATOM 0 HB2 PHE A 48 -20.970 10.812 16.526 1.00 42.34 H new ATOM 0 HB3 PHE A 48 -19.401 11.146 15.821 1.00 42.34 H new ATOM 0 HD1 PHE A 48 -18.821 9.623 13.695 1.00 71.32 H new ATOM 0 HD2 PHE A 48 -22.755 10.475 15.088 1.00 52.32 H new ATOM 0 HE1 PHE A 48 -19.717 9.123 11.463 1.00 32.30 H new ATOM 0 HE2 PHE A 48 -23.655 9.975 12.857 1.00 11.23 H new ATOM 0 HZ PHE A 48 -22.137 9.303 11.038 1.00 30.44 H new ATOM 802 N GLU A 49 -21.621 8.251 17.599 1.00 73.50 N ATOM 803 CA GLU A 49 -22.689 7.274 17.781 1.00 11.42 C ATOM 804 C GLU A 49 -24.021 7.825 17.281 1.00 52.44 C ATOM 805 O GLU A 49 -24.208 9.039 17.190 1.00 41.13 O ATOM 806 CB GLU A 49 -22.808 6.885 19.256 1.00 22.31 C ATOM 807 CG GLU A 49 -21.469 6.633 19.929 1.00 61.42 C ATOM 808 CD GLU A 49 -21.612 6.265 21.393 1.00 4.30 C ATOM 809 OE1 GLU A 49 -21.765 5.062 21.690 1.00 72.12 O ATOM 810 OE2 GLU A 49 -21.570 7.180 22.242 1.00 40.34 O ATOM 0 H GLU A 49 -21.689 9.069 18.204 1.00 73.50 H new ATOM 0 HA GLU A 49 -22.439 6.388 17.197 1.00 11.42 H new ATOM 0 HB2 GLU A 49 -23.331 7.678 19.791 1.00 22.31 H new ATOM 0 HB3 GLU A 49 -23.421 5.987 19.338 1.00 22.31 H new ATOM 0 HG2 GLU A 49 -20.949 5.831 19.406 1.00 61.42 H new ATOM 0 HG3 GLU A 49 -20.849 7.525 19.841 1.00 61.42 H new ATOM 817 N ILE A 50 -24.943 6.925 16.957 1.00 60.21 N ATOM 818 CA ILE A 50 -26.257 7.320 16.466 1.00 13.12 C ATOM 819 C ILE A 50 -27.363 6.530 17.158 1.00 0.54 C ATOM 820 O ILE A 50 -27.266 5.313 17.318 1.00 51.11 O ATOM 821 CB ILE A 50 -26.374 7.118 14.944 1.00 42.42 C ATOM 822 CG1 ILE A 50 -25.679 8.262 14.201 1.00 30.42 C ATOM 823 CG2 ILE A 50 -27.835 7.023 14.532 1.00 15.45 C ATOM 824 CD1 ILE A 50 -26.373 9.596 14.361 1.00 11.11 C ATOM 0 H ILE A 50 -24.804 5.917 17.026 1.00 60.21 H new ATOM 0 HA ILE A 50 -26.373 8.380 16.694 1.00 13.12 H new ATOM 0 HB ILE A 50 -25.881 6.183 14.678 1.00 42.42 H new ATOM 0 HG12 ILE A 50 -24.654 8.349 14.562 1.00 30.42 H new ATOM 0 HG13 ILE A 50 -25.624 8.015 13.141 1.00 30.42 H new ATOM 0 HG21 ILE A 50 -27.900 6.880 13.453 1.00 15.45 H new ATOM 0 HG22 ILE A 50 -28.302 6.178 15.039 1.00 15.45 H new ATOM 0 HG23 ILE A 50 -28.351 7.942 14.808 1.00 15.45 H new ATOM 0 HD11 ILE A 50 -25.826 10.359 13.808 1.00 11.11 H new ATOM 0 HD12 ILE A 50 -27.389 9.526 13.974 1.00 11.11 H new ATOM 0 HD13 ILE A 50 -26.405 9.865 15.417 1.00 11.11 H new ATOM 836 N THR A 51 -28.416 7.231 17.567 1.00 12.23 N ATOM 837 CA THR A 51 -29.541 6.596 18.242 1.00 54.41 C ATOM 838 C THR A 51 -30.539 6.033 17.236 1.00 2.21 C ATOM 839 O THR A 51 -30.889 6.693 16.257 1.00 41.51 O ATOM 840 CB THR A 51 -30.270 7.585 19.171 1.00 1.53 C ATOM 841 OG1 THR A 51 -29.376 8.050 20.189 1.00 35.35 O ATOM 842 CG2 THR A 51 -31.483 6.931 19.814 1.00 31.51 C ATOM 0 H THR A 51 -28.513 8.239 17.442 1.00 12.23 H new ATOM 0 HA THR A 51 -29.132 5.781 18.840 1.00 54.41 H new ATOM 0 HB THR A 51 -30.609 8.430 18.571 1.00 1.53 H new ATOM 0 HG1 THR A 51 -29.846 8.680 20.775 1.00 35.35 H new ATOM 0 HG21 THR A 51 -31.981 7.649 20.465 1.00 31.51 H new ATOM 0 HG22 THR A 51 -32.175 6.605 19.037 1.00 31.51 H new ATOM 0 HG23 THR A 51 -31.164 6.070 20.401 1.00 31.51 H new ATOM 850 N LEU A 52 -30.994 4.810 17.483 1.00 31.12 N ATOM 851 CA LEU A 52 -31.953 4.157 16.599 1.00 53.44 C ATOM 852 C LEU A 52 -33.081 3.513 17.399 1.00 51.44 C ATOM 853 O LEU A 52 -32.914 3.188 18.574 1.00 33.11 O ATOM 854 CB LEU A 52 -31.251 3.101 15.744 1.00 74.15 C ATOM 855 CG LEU A 52 -30.587 3.607 14.462 1.00 34.05 C ATOM 856 CD1 LEU A 52 -30.239 2.444 13.546 1.00 13.14 C ATOM 857 CD2 LEU A 52 -31.494 4.598 13.748 1.00 41.52 C ATOM 0 H LEU A 52 -30.714 4.250 18.288 1.00 31.12 H new ATOM 0 HA LEU A 52 -32.384 4.916 15.946 1.00 53.44 H new ATOM 0 HB2 LEU A 52 -30.491 2.614 16.355 1.00 74.15 H new ATOM 0 HB3 LEU A 52 -31.980 2.337 15.474 1.00 74.15 H new ATOM 0 HG LEU A 52 -29.663 4.119 14.731 1.00 34.05 H new ATOM 0 HD11 LEU A 52 -29.768 2.823 12.639 1.00 13.14 H new ATOM 0 HD12 LEU A 52 -29.551 1.771 14.058 1.00 13.14 H new ATOM 0 HD13 LEU A 52 -31.148 1.903 13.283 1.00 13.14 H new ATOM 0 HD21 LEU A 52 -31.006 4.948 12.838 1.00 41.52 H new ATOM 0 HD22 LEU A 52 -32.434 4.111 13.491 1.00 41.52 H new ATOM 0 HD23 LEU A 52 -31.692 5.447 14.403 1.00 41.52 H new ATOM 869 N ARG A 53 -34.228 3.331 16.753 1.00 72.12 N ATOM 870 CA ARG A 53 -35.383 2.725 17.404 1.00 74.33 C ATOM 871 C ARG A 53 -36.319 2.096 16.375 1.00 21.34 C ATOM 872 O ARG A 53 -36.233 2.388 15.183 1.00 60.33 O ATOM 873 CB ARG A 53 -36.140 3.771 18.225 1.00 62.51 C ATOM 874 CG ARG A 53 -35.656 3.884 19.661 1.00 23.22 C ATOM 875 CD ARG A 53 -35.365 5.328 20.039 1.00 63.23 C ATOM 876 NE ARG A 53 -36.361 5.864 20.962 1.00 73.21 N ATOM 877 CZ ARG A 53 -37.568 6.272 20.585 1.00 61.11 C ATOM 878 NH1 ARG A 53 -37.926 6.205 19.310 1.00 3.10 N ATOM 879 NH2 ARG A 53 -38.420 6.748 21.484 1.00 23.33 N ATOM 0 H ARG A 53 -34.382 3.594 15.780 1.00 72.12 H new ATOM 0 HA ARG A 53 -35.023 1.941 18.070 1.00 74.33 H new ATOM 0 HB2 ARG A 53 -36.042 4.742 17.740 1.00 62.51 H new ATOM 0 HB3 ARG A 53 -37.201 3.521 18.227 1.00 62.51 H new ATOM 0 HG2 ARG A 53 -36.410 3.476 20.334 1.00 23.22 H new ATOM 0 HG3 ARG A 53 -34.755 3.284 19.791 1.00 23.22 H new ATOM 0 HD2 ARG A 53 -34.377 5.391 20.495 1.00 63.23 H new ATOM 0 HD3 ARG A 53 -35.340 5.940 19.138 1.00 63.23 H new ATOM 0 HE ARG A 53 -36.117 5.929 21.950 1.00 73.21 H new ATOM 0 HH11 ARG A 53 -37.274 5.840 18.616 1.00 3.10 H new ATOM 0 HH12 ARG A 53 -38.853 6.519 19.023 1.00 3.10 H new ATOM 0 HH21 ARG A 53 -38.149 6.801 22.466 1.00 23.33 H new ATOM 0 HH22 ARG A 53 -39.346 7.061 21.193 1.00 23.33 H new ATOM 893 N SER A 54 -37.212 1.231 16.846 1.00 24.42 N ATOM 894 CA SER A 54 -38.160 0.557 15.967 1.00 33.14 C ATOM 895 C SER A 54 -39.021 1.570 15.218 1.00 24.11 C ATOM 896 O SER A 54 -38.743 2.769 15.233 1.00 10.21 O ATOM 897 CB SER A 54 -39.052 -0.389 16.774 1.00 11.10 C ATOM 898 OG SER A 54 -39.294 -1.591 16.064 1.00 33.10 O ATOM 0 H SER A 54 -37.299 0.981 17.831 1.00 24.42 H new ATOM 0 HA SER A 54 -37.593 -0.022 15.238 1.00 33.14 H new ATOM 0 HB2 SER A 54 -38.577 -0.616 17.728 1.00 11.10 H new ATOM 0 HB3 SER A 54 -39.999 0.102 16.998 1.00 11.10 H new ATOM 0 HG SER A 54 -39.865 -2.179 16.601 1.00 33.10 H new ATOM 904 N VAL A 55 -40.067 1.078 14.563 1.00 53.14 N ATOM 905 CA VAL A 55 -40.970 1.939 13.808 1.00 60.13 C ATOM 906 C VAL A 55 -42.009 2.581 14.721 1.00 45.14 C ATOM 907 O VAL A 55 -42.377 3.742 14.539 1.00 72.54 O ATOM 908 CB VAL A 55 -41.694 1.156 12.696 1.00 24.11 C ATOM 909 CG1 VAL A 55 -43.156 1.567 12.619 1.00 71.32 C ATOM 910 CG2 VAL A 55 -41.001 1.367 11.359 1.00 45.14 C ATOM 0 H VAL A 55 -40.310 0.088 14.540 1.00 53.14 H new ATOM 0 HA VAL A 55 -40.358 2.718 13.354 1.00 60.13 H new ATOM 0 HB VAL A 55 -41.653 0.094 12.937 1.00 24.11 H new ATOM 0 HG11 VAL A 55 -43.651 1.004 11.828 1.00 71.32 H new ATOM 0 HG12 VAL A 55 -43.643 1.359 13.572 1.00 71.32 H new ATOM 0 HG13 VAL A 55 -43.223 2.633 12.402 1.00 71.32 H new ATOM 0 HG21 VAL A 55 -41.525 0.807 10.585 1.00 45.14 H new ATOM 0 HG22 VAL A 55 -41.010 2.428 11.108 1.00 45.14 H new ATOM 0 HG23 VAL A 55 -39.970 1.018 11.424 1.00 45.14 H new ATOM 920 N ASP A 56 -42.476 1.819 15.703 1.00 13.10 N ATOM 921 CA ASP A 56 -43.472 2.314 16.647 1.00 50.04 C ATOM 922 C ASP A 56 -43.044 2.036 18.084 1.00 4.41 C ATOM 923 O ASP A 56 -41.853 1.929 18.379 1.00 10.41 O ATOM 924 CB ASP A 56 -44.831 1.668 16.372 1.00 20.15 C ATOM 925 CG ASP A 56 -45.983 2.630 16.586 1.00 30.01 C ATOM 926 OD1 ASP A 56 -45.801 3.618 17.328 1.00 14.30 O ATOM 927 OD2 ASP A 56 -47.066 2.395 16.011 1.00 40.12 O ATOM 0 H ASP A 56 -42.181 0.856 15.867 1.00 13.10 H new ATOM 0 HA ASP A 56 -43.558 3.393 16.515 1.00 50.04 H new ATOM 0 HB2 ASP A 56 -44.854 1.300 15.346 1.00 20.15 H new ATOM 0 HB3 ASP A 56 -44.958 0.803 17.024 1.00 20.15 H new ATOM 932 N LYS A 57 -44.022 1.922 18.976 1.00 62.30 N ATOM 933 CA LYS A 57 -43.748 1.657 20.383 1.00 23.52 C ATOM 934 C LYS A 57 -44.338 0.316 20.809 1.00 10.24 C ATOM 935 O LYS A 57 -44.045 -0.184 21.895 1.00 53.40 O ATOM 936 CB LYS A 57 -44.318 2.777 21.255 1.00 11.42 C ATOM 937 CG LYS A 57 -44.070 4.168 20.697 1.00 10.13 C ATOM 938 CD LYS A 57 -42.623 4.594 20.883 1.00 32.41 C ATOM 939 CE LYS A 57 -42.504 5.753 21.861 1.00 73.32 C ATOM 940 NZ LYS A 57 -42.172 5.287 23.236 1.00 64.15 N ATOM 0 H LYS A 57 -45.013 2.009 18.749 1.00 62.30 H new ATOM 0 HA LYS A 57 -42.667 1.617 20.515 1.00 23.52 H new ATOM 0 HB2 LYS A 57 -45.391 2.627 21.369 1.00 11.42 H new ATOM 0 HB3 LYS A 57 -43.879 2.710 22.250 1.00 11.42 H new ATOM 0 HG2 LYS A 57 -44.322 4.186 19.637 1.00 10.13 H new ATOM 0 HG3 LYS A 57 -44.727 4.882 21.193 1.00 10.13 H new ATOM 0 HD2 LYS A 57 -42.038 3.749 21.246 1.00 32.41 H new ATOM 0 HD3 LYS A 57 -42.201 4.884 19.921 1.00 32.41 H new ATOM 0 HE2 LYS A 57 -41.734 6.442 21.515 1.00 73.32 H new ATOM 0 HE3 LYS A 57 -43.442 6.308 21.882 1.00 73.32 H new ATOM 0 HZ1 LYS A 57 -42.282 6.075 23.906 1.00 64.15 H new ATOM 0 HZ2 LYS A 57 -42.812 4.513 23.504 1.00 64.15 H new ATOM 0 HZ3 LYS A 57 -41.189 4.947 23.260 1.00 64.15 H new ATOM 954 N GLU A 58 -45.169 -0.261 19.947 1.00 50.53 N ATOM 955 CA GLU A 58 -45.799 -1.544 20.235 1.00 11.52 C ATOM 956 C GLU A 58 -45.550 -2.538 19.105 1.00 23.43 C ATOM 957 O GLU A 58 -45.458 -2.174 17.933 1.00 64.42 O ATOM 958 CB GLU A 58 -47.304 -1.362 20.447 1.00 44.12 C ATOM 959 CG GLU A 58 -48.059 -1.009 19.176 1.00 23.43 C ATOM 960 CD GLU A 58 -49.097 0.074 19.396 1.00 4.11 C ATOM 961 OE1 GLU A 58 -48.769 1.084 20.053 1.00 5.40 O ATOM 962 OE2 GLU A 58 -50.236 -0.088 18.912 1.00 31.11 O ATOM 0 H GLU A 58 -45.422 0.140 19.044 1.00 50.53 H new ATOM 0 HA GLU A 58 -45.356 -1.941 21.149 1.00 11.52 H new ATOM 0 HB2 GLU A 58 -47.718 -2.281 20.862 1.00 44.12 H new ATOM 0 HB3 GLU A 58 -47.466 -0.577 21.186 1.00 44.12 H new ATOM 0 HG2 GLU A 58 -47.350 -0.679 18.417 1.00 23.43 H new ATOM 0 HG3 GLU A 58 -48.548 -1.903 18.788 1.00 23.43 H new ATOM 969 N PRO A 59 -45.437 -3.826 19.465 1.00 11.41 N ATOM 970 CA PRO A 59 -45.544 -4.271 20.858 1.00 54.33 C ATOM 971 C PRO A 59 -44.353 -3.829 21.701 1.00 71.12 C ATOM 972 O PRO A 59 -44.353 -3.984 22.922 1.00 3.42 O ATOM 973 CB PRO A 59 -45.580 -5.796 20.741 1.00 75.53 C ATOM 974 CG PRO A 59 -44.883 -6.095 19.458 1.00 11.34 C ATOM 975 CD PRO A 59 -45.196 -4.946 18.540 1.00 3.31 C ATOM 0 HA PRO A 59 -46.416 -3.847 21.355 1.00 54.33 H new ATOM 0 HB2 PRO A 59 -45.077 -6.270 21.584 1.00 75.53 H new ATOM 0 HB3 PRO A 59 -46.604 -6.168 20.731 1.00 75.53 H new ATOM 0 HG2 PRO A 59 -43.808 -6.191 19.611 1.00 11.34 H new ATOM 0 HG3 PRO A 59 -45.230 -7.038 19.036 1.00 11.34 H new ATOM 0 HD2 PRO A 59 -44.369 -4.736 17.862 1.00 3.31 H new ATOM 0 HD3 PRO A 59 -46.070 -5.152 17.922 1.00 3.31 H new ATOM 983 N VAL A 60 -43.339 -3.278 21.041 1.00 21.23 N ATOM 984 CA VAL A 60 -42.142 -2.812 21.731 1.00 65.43 C ATOM 985 C VAL A 60 -41.518 -1.624 21.008 1.00 53.25 C ATOM 986 O VAL A 60 -41.842 -1.349 19.853 1.00 41.23 O ATOM 987 CB VAL A 60 -41.092 -3.933 21.852 1.00 31.32 C ATOM 988 CG1 VAL A 60 -41.703 -5.169 22.494 1.00 23.54 C ATOM 989 CG2 VAL A 60 -40.507 -4.265 20.488 1.00 51.03 C ATOM 0 H VAL A 60 -43.323 -3.144 20.030 1.00 21.23 H new ATOM 0 HA VAL A 60 -42.452 -2.504 22.730 1.00 65.43 H new ATOM 0 HB VAL A 60 -40.283 -3.582 22.493 1.00 31.32 H new ATOM 0 HG11 VAL A 60 -40.947 -5.950 22.571 1.00 23.54 H new ATOM 0 HG12 VAL A 60 -42.069 -4.919 23.490 1.00 23.54 H new ATOM 0 HG13 VAL A 60 -42.531 -5.525 21.882 1.00 23.54 H new ATOM 0 HG21 VAL A 60 -39.767 -5.059 20.593 1.00 51.03 H new ATOM 0 HG22 VAL A 60 -41.303 -4.597 19.822 1.00 51.03 H new ATOM 0 HG23 VAL A 60 -40.031 -3.378 20.071 1.00 51.03 H new ATOM 999 N GLU A 61 -40.622 -0.923 21.695 1.00 32.05 N ATOM 1000 CA GLU A 61 -39.954 0.237 21.118 1.00 63.02 C ATOM 1001 C GLU A 61 -38.619 -0.159 20.494 1.00 64.32 C ATOM 1002 O GLU A 61 -38.149 0.477 19.551 1.00 43.41 O ATOM 1003 CB GLU A 61 -39.731 1.310 22.186 1.00 74.21 C ATOM 1004 CG GLU A 61 -38.884 2.477 21.709 1.00 3.11 C ATOM 1005 CD GLU A 61 -39.718 3.616 21.156 1.00 43.23 C ATOM 1006 OE1 GLU A 61 -40.251 3.472 20.036 1.00 13.10 O ATOM 1007 OE2 GLU A 61 -39.837 4.652 21.843 1.00 22.14 O ATOM 0 H GLU A 61 -40.342 -1.138 22.652 1.00 32.05 H new ATOM 0 HA GLU A 61 -40.596 0.641 20.336 1.00 63.02 H new ATOM 0 HB2 GLU A 61 -40.698 1.686 22.518 1.00 74.21 H new ATOM 0 HB3 GLU A 61 -39.251 0.854 23.052 1.00 74.21 H new ATOM 0 HG2 GLU A 61 -38.279 2.844 22.538 1.00 3.11 H new ATOM 0 HG3 GLU A 61 -38.194 2.130 20.940 1.00 3.11 H new ATOM 1014 N SER A 62 -38.013 -1.215 21.028 1.00 62.03 N ATOM 1015 CA SER A 62 -36.730 -1.694 20.527 1.00 62.40 C ATOM 1016 C SER A 62 -35.806 -0.527 20.195 1.00 5.34 C ATOM 1017 O SER A 62 -35.850 0.021 19.094 1.00 41.10 O ATOM 1018 CB SER A 62 -36.936 -2.565 19.286 1.00 41.12 C ATOM 1019 OG SER A 62 -35.807 -3.388 19.047 1.00 35.34 O ATOM 0 H SER A 62 -38.390 -1.755 21.807 1.00 62.03 H new ATOM 0 HA SER A 62 -36.264 -2.293 21.309 1.00 62.40 H new ATOM 0 HB2 SER A 62 -37.822 -3.187 19.417 1.00 41.12 H new ATOM 0 HB3 SER A 62 -37.117 -1.930 18.419 1.00 41.12 H new ATOM 0 HG SER A 62 -36.076 -4.330 19.078 1.00 35.34 H new ATOM 1025 N SER A 63 -34.968 -0.151 21.157 1.00 34.32 N ATOM 1026 CA SER A 63 -34.035 0.954 20.970 1.00 34.42 C ATOM 1027 C SER A 63 -32.593 0.460 21.014 1.00 25.33 C ATOM 1028 O SER A 63 -32.168 -0.163 21.988 1.00 3.53 O ATOM 1029 CB SER A 63 -34.254 2.021 22.044 1.00 30.13 C ATOM 1030 OG SER A 63 -33.047 2.701 22.341 1.00 43.14 O ATOM 0 H SER A 63 -34.917 -0.596 22.074 1.00 34.32 H new ATOM 0 HA SER A 63 -34.221 1.392 19.989 1.00 34.42 H new ATOM 0 HB2 SER A 63 -35.003 2.736 21.704 1.00 30.13 H new ATOM 0 HB3 SER A 63 -34.645 1.556 22.949 1.00 30.13 H new ATOM 0 HG SER A 63 -33.214 3.379 23.029 1.00 43.14 H new ATOM 1036 N ILE A 64 -31.845 0.741 19.953 1.00 43.52 N ATOM 1037 CA ILE A 64 -30.450 0.327 19.870 1.00 3.31 C ATOM 1038 C ILE A 64 -29.568 1.464 19.363 1.00 20.34 C ATOM 1039 O ILE A 64 -29.932 2.178 18.428 1.00 24.41 O ATOM 1040 CB ILE A 64 -30.278 -0.892 18.945 1.00 53.01 C ATOM 1041 CG1 ILE A 64 -31.265 -1.996 19.331 1.00 11.44 C ATOM 1042 CG2 ILE A 64 -28.848 -1.407 19.007 1.00 32.10 C ATOM 1043 CD1 ILE A 64 -31.184 -3.217 18.442 1.00 15.24 C ATOM 0 H ILE A 64 -32.182 1.254 19.138 1.00 43.52 H new ATOM 0 HA ILE A 64 -30.142 0.053 20.879 1.00 3.31 H new ATOM 0 HB ILE A 64 -30.488 -0.584 17.921 1.00 53.01 H new ATOM 0 HG12 ILE A 64 -31.078 -2.295 20.363 1.00 11.44 H new ATOM 0 HG13 ILE A 64 -32.278 -1.596 19.293 1.00 11.44 H new ATOM 0 HG21 ILE A 64 -28.743 -2.269 18.348 1.00 32.10 H new ATOM 0 HG22 ILE A 64 -28.164 -0.621 18.688 1.00 32.10 H new ATOM 0 HG23 ILE A 64 -28.611 -1.701 20.029 1.00 32.10 H new ATOM 0 HD11 ILE A 64 -31.911 -3.958 18.774 1.00 15.24 H new ATOM 0 HD12 ILE A 64 -31.400 -2.932 17.412 1.00 15.24 H new ATOM 0 HD13 ILE A 64 -30.182 -3.642 18.498 1.00 15.24 H new ATOM 1055 N THR A 65 -28.405 1.626 19.986 1.00 24.32 N ATOM 1056 CA THR A 65 -27.470 2.674 19.599 1.00 42.44 C ATOM 1057 C THR A 65 -26.351 2.118 18.726 1.00 44.32 C ATOM 1058 O THR A 65 -25.540 1.309 19.179 1.00 60.14 O ATOM 1059 CB THR A 65 -26.851 3.360 20.832 1.00 73.41 C ATOM 1060 OG1 THR A 65 -27.887 3.855 21.688 1.00 21.51 O ATOM 1061 CG2 THR A 65 -25.941 4.504 20.415 1.00 44.50 C ATOM 0 H THR A 65 -28.088 1.044 20.761 1.00 24.32 H new ATOM 0 HA THR A 65 -28.039 3.410 19.031 1.00 42.44 H new ATOM 0 HB THR A 65 -26.256 2.622 21.371 1.00 73.41 H new ATOM 0 HG1 THR A 65 -27.486 4.288 22.470 1.00 21.51 H new ATOM 0 HG21 THR A 65 -25.516 4.973 21.302 1.00 44.50 H new ATOM 0 HG22 THR A 65 -25.137 4.119 19.787 1.00 44.50 H new ATOM 0 HG23 THR A 65 -26.517 5.241 19.856 1.00 44.50 H new ATOM 1069 N LEU A 66 -26.311 2.557 17.473 1.00 45.24 N ATOM 1070 CA LEU A 66 -25.289 2.103 16.535 1.00 1.53 C ATOM 1071 C LEU A 66 -24.103 3.063 16.516 1.00 72.13 C ATOM 1072 O LEU A 66 -24.217 4.198 16.051 1.00 30.33 O ATOM 1073 CB LEU A 66 -25.879 1.975 15.130 1.00 50.11 C ATOM 1074 CG LEU A 66 -26.174 0.553 14.653 1.00 23.50 C ATOM 1075 CD1 LEU A 66 -26.845 -0.252 15.755 1.00 14.43 C ATOM 1076 CD2 LEU A 66 -27.043 0.578 13.404 1.00 65.01 C ATOM 0 H LEU A 66 -26.974 3.227 17.083 1.00 45.24 H new ATOM 0 HA LEU A 66 -24.937 1.126 16.864 1.00 1.53 H new ATOM 0 HB2 LEU A 66 -26.805 2.549 15.093 1.00 50.11 H new ATOM 0 HB3 LEU A 66 -25.189 2.438 14.424 1.00 50.11 H new ATOM 0 HG LEU A 66 -25.228 0.071 14.404 1.00 23.50 H new ATOM 0 HD11 LEU A 66 -27.047 -1.261 15.397 1.00 14.43 H new ATOM 0 HD12 LEU A 66 -26.187 -0.300 16.623 1.00 14.43 H new ATOM 0 HD13 LEU A 66 -27.782 0.228 16.037 1.00 14.43 H new ATOM 0 HD21 LEU A 66 -27.243 -0.443 13.079 1.00 65.01 H new ATOM 0 HD22 LEU A 66 -27.985 1.079 13.626 1.00 65.01 H new ATOM 0 HD23 LEU A 66 -26.524 1.116 12.611 1.00 65.01 H new ATOM 1088 N HIS A 67 -22.965 2.599 17.021 1.00 24.10 N ATOM 1089 CA HIS A 67 -21.756 3.415 17.059 1.00 53.11 C ATOM 1090 C HIS A 67 -20.788 3.003 15.954 1.00 3.34 C ATOM 1091 O HIS A 67 -20.217 1.913 15.990 1.00 4.10 O ATOM 1092 CB HIS A 67 -21.075 3.292 18.422 1.00 13.53 C ATOM 1093 CG HIS A 67 -19.627 3.672 18.405 1.00 44.15 C ATOM 1094 ND1 HIS A 67 -19.146 4.774 17.729 1.00 24.03 N ATOM 1095 CD2 HIS A 67 -18.552 3.090 18.986 1.00 43.02 C ATOM 1096 CE1 HIS A 67 -17.837 4.852 17.895 1.00 52.34 C ATOM 1097 NE2 HIS A 67 -17.452 3.842 18.654 1.00 41.33 N ATOM 0 H HIS A 67 -22.854 1.662 17.410 1.00 24.10 H new ATOM 0 HA HIS A 67 -22.043 4.454 16.898 1.00 53.11 H new ATOM 0 HB2 HIS A 67 -21.599 3.924 19.139 1.00 13.53 H new ATOM 0 HB3 HIS A 67 -21.168 2.265 18.774 1.00 13.53 H new ATOM 0 HD1 HIS A 67 -19.712 5.426 17.186 1.00 24.03 H new ATOM 0 HD2 HIS A 67 -18.558 2.200 19.597 1.00 43.02 H new ATOM 0 HE1 HIS A 67 -17.192 5.612 17.480 1.00 52.34 H new ATOM 1105 N PHE A 68 -20.608 3.882 14.974 1.00 70.02 N ATOM 1106 CA PHE A 68 -19.710 3.609 13.858 1.00 60.03 C ATOM 1107 C PHE A 68 -18.402 4.381 14.010 1.00 34.45 C ATOM 1108 O PHE A 68 -18.394 5.524 14.467 1.00 65.54 O ATOM 1109 CB PHE A 68 -20.381 3.978 12.533 1.00 13.02 C ATOM 1110 CG PHE A 68 -21.846 4.282 12.668 1.00 41.41 C ATOM 1111 CD1 PHE A 68 -22.275 5.564 12.973 1.00 54.01 C ATOM 1112 CD2 PHE A 68 -22.793 3.287 12.489 1.00 12.31 C ATOM 1113 CE1 PHE A 68 -23.622 5.846 13.098 1.00 15.52 C ATOM 1114 CE2 PHE A 68 -24.142 3.564 12.613 1.00 62.13 C ATOM 1115 CZ PHE A 68 -24.557 4.846 12.917 1.00 61.44 C ATOM 0 H PHE A 68 -21.072 4.789 14.930 1.00 70.02 H new ATOM 0 HA PHE A 68 -19.485 2.543 13.859 1.00 60.03 H new ATOM 0 HB2 PHE A 68 -19.876 4.845 12.108 1.00 13.02 H new ATOM 0 HB3 PHE A 68 -20.252 3.157 11.828 1.00 13.02 H new ATOM 0 HD1 PHE A 68 -21.549 6.351 13.114 1.00 54.01 H new ATOM 0 HD2 PHE A 68 -22.474 2.283 12.250 1.00 12.31 H new ATOM 0 HE1 PHE A 68 -23.944 6.849 13.337 1.00 15.52 H new ATOM 0 HE2 PHE A 68 -24.870 2.779 12.472 1.00 62.13 H new ATOM 0 HZ PHE A 68 -25.610 5.066 13.013 1.00 61.44 H new ATOM 1125 N ALA A 69 -17.300 3.746 13.626 1.00 43.40 N ATOM 1126 CA ALA A 69 -15.987 4.373 13.718 1.00 23.44 C ATOM 1127 C ALA A 69 -15.280 4.368 12.367 1.00 21.12 C ATOM 1128 O ALA A 69 -15.062 3.312 11.774 1.00 24.12 O ATOM 1129 CB ALA A 69 -15.137 3.665 14.763 1.00 22.13 C ATOM 0 H ALA A 69 -17.290 2.798 13.248 1.00 43.40 H new ATOM 0 HA ALA A 69 -16.127 5.411 14.021 1.00 23.44 H new ATOM 0 HB1 ALA A 69 -14.159 4.143 14.822 1.00 22.13 H new ATOM 0 HB2 ALA A 69 -15.629 3.725 15.734 1.00 22.13 H new ATOM 0 HB3 ALA A 69 -15.013 2.619 14.483 1.00 22.13 H new ATOM 1135 N MET A 70 -14.925 5.555 11.886 1.00 72.20 N ATOM 1136 CA MET A 70 -14.242 5.686 10.604 1.00 14.31 C ATOM 1137 C MET A 70 -12.733 5.542 10.775 1.00 75.44 C ATOM 1138 O MET A 70 -12.029 6.521 11.021 1.00 1.04 O ATOM 1139 CB MET A 70 -14.568 7.038 9.965 1.00 62.41 C ATOM 1140 CG MET A 70 -16.029 7.435 10.095 1.00 53.04 C ATOM 1141 SD MET A 70 -16.901 7.399 8.517 1.00 55.41 S ATOM 1142 CE MET A 70 -18.605 7.426 9.071 1.00 44.31 C ATOM 0 H MET A 70 -15.099 6.439 12.364 1.00 72.20 H new ATOM 0 HA MET A 70 -14.593 4.888 9.950 1.00 14.31 H new ATOM 0 HB2 MET A 70 -13.949 7.807 10.426 1.00 62.41 H new ATOM 0 HB3 MET A 70 -14.302 7.005 8.909 1.00 62.41 H new ATOM 0 HG2 MET A 70 -16.524 6.761 10.795 1.00 53.04 H new ATOM 0 HG3 MET A 70 -16.093 8.437 10.518 1.00 53.04 H new ATOM 0 HE1 MET A 70 -19.181 6.688 8.512 1.00 44.31 H new ATOM 0 HE2 MET A 70 -18.646 7.189 10.134 1.00 44.31 H new ATOM 0 HE3 MET A 70 -19.026 8.417 8.904 1.00 44.31 H new ATOM 1152 N THR A 71 -12.242 4.313 10.642 1.00 54.32 N ATOM 1153 CA THR A 71 -10.818 4.040 10.783 1.00 43.44 C ATOM 1154 C THR A 71 -9.983 5.086 10.052 1.00 2.03 C ATOM 1155 O THR A 71 -10.449 5.752 9.127 1.00 24.14 O ATOM 1156 CB THR A 71 -10.457 2.644 10.243 1.00 72.53 C ATOM 1157 OG1 THR A 71 -11.358 2.277 9.192 1.00 35.33 O ATOM 1158 CG2 THR A 71 -10.513 1.604 11.352 1.00 61.22 C ATOM 0 H THR A 71 -12.811 3.491 10.437 1.00 54.32 H new ATOM 0 HA THR A 71 -10.593 4.078 11.849 1.00 43.44 H new ATOM 0 HB THR A 71 -9.440 2.681 9.852 1.00 72.53 H new ATOM 0 HG1 THR A 71 -10.945 1.585 8.634 1.00 35.33 H new ATOM 0 HG21 THR A 71 -10.254 0.626 10.947 1.00 61.22 H new ATOM 0 HG22 THR A 71 -9.805 1.870 12.137 1.00 61.22 H new ATOM 0 HG23 THR A 71 -11.520 1.570 11.768 1.00 61.22 H new ATOM 1166 N PRO A 72 -8.719 5.235 10.475 1.00 45.44 N ATOM 1167 CA PRO A 72 -7.791 6.198 9.873 1.00 54.32 C ATOM 1168 C PRO A 72 -7.376 5.799 8.461 1.00 31.31 C ATOM 1169 O PRO A 72 -6.569 6.477 7.826 1.00 23.44 O ATOM 1170 CB PRO A 72 -6.585 6.165 10.815 1.00 51.45 C ATOM 1171 CG PRO A 72 -6.638 4.819 11.451 1.00 43.33 C ATOM 1172 CD PRO A 72 -8.097 4.475 11.572 1.00 45.32 C ATOM 0 HA PRO A 72 -8.240 7.186 9.768 1.00 54.32 H new ATOM 0 HB2 PRO A 72 -5.652 6.309 10.269 1.00 51.45 H new ATOM 0 HB3 PRO A 72 -6.643 6.958 11.561 1.00 51.45 H new ATOM 0 HG2 PRO A 72 -6.112 4.081 10.846 1.00 43.33 H new ATOM 0 HG3 PRO A 72 -6.157 4.830 12.429 1.00 43.33 H new ATOM 0 HD2 PRO A 72 -8.267 3.404 11.466 1.00 45.32 H new ATOM 0 HD3 PRO A 72 -8.500 4.767 12.542 1.00 45.32 H new ATOM 1180 N MET A 73 -7.934 4.694 7.975 1.00 2.45 N ATOM 1181 CA MET A 73 -7.622 4.206 6.637 1.00 2.12 C ATOM 1182 C MET A 73 -8.871 4.180 5.763 1.00 75.10 C ATOM 1183 O MET A 73 -8.785 4.265 4.538 1.00 74.03 O ATOM 1184 CB MET A 73 -7.008 2.807 6.712 1.00 70.31 C ATOM 1185 CG MET A 73 -5.605 2.789 7.297 1.00 60.15 C ATOM 1186 SD MET A 73 -4.360 2.272 6.099 1.00 40.42 S ATOM 1187 CE MET A 73 -4.357 3.676 4.987 1.00 50.52 C ATOM 0 H MET A 73 -8.604 4.121 8.488 1.00 2.45 H new ATOM 0 HA MET A 73 -6.900 4.888 6.187 1.00 2.12 H new ATOM 0 HB2 MET A 73 -7.653 2.168 7.316 1.00 70.31 H new ATOM 0 HB3 MET A 73 -6.981 2.377 5.711 1.00 70.31 H new ATOM 0 HG2 MET A 73 -5.357 3.784 7.667 1.00 60.15 H new ATOM 0 HG3 MET A 73 -5.581 2.115 8.154 1.00 60.15 H new ATOM 0 HE1 MET A 73 -4.524 3.332 3.966 1.00 50.52 H new ATOM 0 HE2 MET A 73 -5.151 4.367 5.271 1.00 50.52 H new ATOM 0 HE3 MET A 73 -3.395 4.185 5.046 1.00 50.52 H new ATOM 1197 N TYR A 74 -10.031 4.061 6.400 1.00 51.51 N ATOM 1198 CA TYR A 74 -11.298 4.021 5.680 1.00 51.34 C ATOM 1199 C TYR A 74 -11.372 5.140 4.645 1.00 72.13 C ATOM 1200 O TYR A 74 -10.783 6.209 4.805 1.00 13.11 O ATOM 1201 CB TYR A 74 -12.469 4.138 6.657 1.00 24.24 C ATOM 1202 CG TYR A 74 -13.677 4.836 6.075 1.00 22.02 C ATOM 1203 CD1 TYR A 74 -13.620 6.175 5.708 1.00 22.00 C ATOM 1204 CD2 TYR A 74 -14.875 4.157 5.893 1.00 14.51 C ATOM 1205 CE1 TYR A 74 -14.721 6.817 5.176 1.00 12.43 C ATOM 1206 CE2 TYR A 74 -15.981 4.791 5.361 1.00 54.32 C ATOM 1207 CZ TYR A 74 -15.899 6.121 5.004 1.00 14.22 C ATOM 1208 OH TYR A 74 -16.999 6.757 4.475 1.00 73.40 O ATOM 0 H TYR A 74 -10.120 3.991 7.414 1.00 51.51 H new ATOM 0 HA TYR A 74 -11.361 3.065 5.161 1.00 51.34 H new ATOM 0 HB2 TYR A 74 -12.759 3.140 6.984 1.00 24.24 H new ATOM 0 HB3 TYR A 74 -12.139 4.680 7.543 1.00 24.24 H new ATOM 0 HD1 TYR A 74 -12.699 6.723 5.841 1.00 22.00 H new ATOM 0 HD2 TYR A 74 -14.943 3.116 6.172 1.00 14.51 H new ATOM 0 HE1 TYR A 74 -14.660 7.858 4.896 1.00 12.43 H new ATOM 0 HE2 TYR A 74 -16.905 4.248 5.225 1.00 54.32 H new ATOM 0 HH TYR A 74 -17.000 7.696 4.755 1.00 73.40 H new ATOM 1218 N PRO A 75 -12.114 4.889 3.556 1.00 72.11 N ATOM 1219 CA PRO A 75 -12.819 3.620 3.354 1.00 72.42 C ATOM 1220 C PRO A 75 -11.863 2.461 3.090 1.00 54.34 C ATOM 1221 O PRO A 75 -12.266 1.298 3.097 1.00 23.43 O ATOM 1222 CB PRO A 75 -13.687 3.888 2.122 1.00 53.20 C ATOM 1223 CG PRO A 75 -12.977 4.972 1.387 1.00 62.11 C ATOM 1224 CD PRO A 75 -12.322 5.825 2.438 1.00 23.30 C ATOM 0 HA PRO A 75 -13.387 3.325 4.236 1.00 72.42 H new ATOM 0 HB2 PRO A 75 -13.789 2.994 1.507 1.00 53.20 H new ATOM 0 HB3 PRO A 75 -14.693 4.196 2.406 1.00 53.20 H new ATOM 0 HG2 PRO A 75 -12.236 4.559 0.702 1.00 62.11 H new ATOM 0 HG3 PRO A 75 -13.674 5.558 0.787 1.00 62.11 H new ATOM 0 HD2 PRO A 75 -11.380 6.245 2.085 1.00 23.30 H new ATOM 0 HD3 PRO A 75 -12.956 6.663 2.728 1.00 23.30 H new ATOM 1232 N TYR A 76 -10.597 2.787 2.857 1.00 61.04 N ATOM 1233 CA TYR A 76 -9.584 1.773 2.588 1.00 0.21 C ATOM 1234 C TYR A 76 -9.866 0.498 3.377 1.00 14.43 C ATOM 1235 O TYR A 76 -9.917 -0.596 2.816 1.00 71.44 O ATOM 1236 CB TYR A 76 -8.194 2.306 2.939 1.00 64.13 C ATOM 1237 CG TYR A 76 -7.068 1.531 2.292 1.00 4.21 C ATOM 1238 CD1 TYR A 76 -6.679 1.794 0.984 1.00 31.01 C ATOM 1239 CD2 TYR A 76 -6.393 0.536 2.988 1.00 1.14 C ATOM 1240 CE1 TYR A 76 -5.651 1.088 0.389 1.00 53.32 C ATOM 1241 CE2 TYR A 76 -5.363 -0.173 2.402 1.00 71.53 C ATOM 1242 CZ TYR A 76 -4.996 0.106 1.102 1.00 51.12 C ATOM 1243 OH TYR A 76 -3.972 -0.600 0.513 1.00 3.54 O ATOM 0 H TYR A 76 -10.247 3.745 2.849 1.00 61.04 H new ATOM 0 HA TYR A 76 -9.617 1.535 1.525 1.00 0.21 H new ATOM 0 HB2 TYR A 76 -8.127 3.351 2.635 1.00 64.13 H new ATOM 0 HB3 TYR A 76 -8.067 2.280 4.021 1.00 64.13 H new ATOM 0 HD1 TYR A 76 -7.189 2.563 0.423 1.00 31.01 H new ATOM 0 HD2 TYR A 76 -6.679 0.313 4.005 1.00 1.14 H new ATOM 0 HE1 TYR A 76 -5.362 1.304 -0.629 1.00 53.32 H new ATOM 0 HE2 TYR A 76 -4.848 -0.942 2.959 1.00 71.53 H new ATOM 0 HH TYR A 76 -3.616 -1.254 1.151 1.00 3.54 H new ATOM 1253 N THR A 77 -10.051 0.649 4.685 1.00 25.44 N ATOM 1254 CA THR A 77 -10.327 -0.489 5.554 1.00 54.42 C ATOM 1255 C THR A 77 -11.788 -0.504 5.990 1.00 21.33 C ATOM 1256 O THR A 77 -12.585 0.324 5.552 1.00 75.12 O ATOM 1257 CB THR A 77 -9.430 -0.472 6.805 1.00 5.32 C ATOM 1258 OG1 THR A 77 -9.810 0.607 7.666 1.00 2.34 O ATOM 1259 CG2 THR A 77 -7.965 -0.327 6.419 1.00 53.12 C ATOM 0 H THR A 77 -10.015 1.548 5.166 1.00 25.44 H new ATOM 0 HA THR A 77 -10.113 -1.388 4.976 1.00 54.42 H new ATOM 0 HB THR A 77 -9.559 -1.418 7.330 1.00 5.32 H new ATOM 0 HG1 THR A 77 -9.236 0.610 8.460 1.00 2.34 H new ATOM 0 HG21 THR A 77 -7.351 -0.317 7.319 1.00 53.12 H new ATOM 0 HG22 THR A 77 -7.670 -1.165 5.788 1.00 53.12 H new ATOM 0 HG23 THR A 77 -7.823 0.606 5.873 1.00 53.12 H new ATOM 1267 N ALA A 78 -12.131 -1.451 6.857 1.00 34.31 N ATOM 1268 CA ALA A 78 -13.496 -1.573 7.355 1.00 0.51 C ATOM 1269 C ALA A 78 -13.626 -0.974 8.752 1.00 61.23 C ATOM 1270 O ALA A 78 -12.819 -1.238 9.644 1.00 54.12 O ATOM 1271 CB ALA A 78 -13.928 -3.032 7.362 1.00 43.54 C ATOM 0 H ALA A 78 -11.483 -2.145 7.229 1.00 34.31 H new ATOM 0 HA ALA A 78 -14.151 -1.015 6.686 1.00 0.51 H new ATOM 0 HB1 ALA A 78 -14.949 -3.107 7.736 1.00 43.54 H new ATOM 0 HB2 ALA A 78 -13.883 -3.430 6.348 1.00 43.54 H new ATOM 0 HB3 ALA A 78 -13.262 -3.606 8.007 1.00 43.54 H new ATOM 1277 N PRO A 79 -14.664 -0.148 8.948 1.00 33.22 N ATOM 1278 CA PRO A 79 -14.924 0.505 10.235 1.00 61.14 C ATOM 1279 C PRO A 79 -15.380 -0.482 11.304 1.00 52.40 C ATOM 1280 O PRO A 79 -15.281 -1.695 11.124 1.00 2.23 O ATOM 1281 CB PRO A 79 -16.044 1.497 9.909 1.00 25.33 C ATOM 1282 CG PRO A 79 -16.731 0.916 8.722 1.00 34.45 C ATOM 1283 CD PRO A 79 -15.665 0.211 7.930 1.00 53.23 C ATOM 0 HA PRO A 79 -14.028 0.972 10.644 1.00 61.14 H new ATOM 0 HB2 PRO A 79 -16.730 1.609 10.748 1.00 25.33 H new ATOM 0 HB3 PRO A 79 -15.644 2.487 9.690 1.00 25.33 H new ATOM 0 HG2 PRO A 79 -17.515 0.222 9.026 1.00 34.45 H new ATOM 0 HG3 PRO A 79 -17.208 1.695 8.127 1.00 34.45 H new ATOM 0 HD2 PRO A 79 -16.058 -0.671 7.424 1.00 53.23 H new ATOM 0 HD3 PRO A 79 -15.242 0.858 7.161 1.00 53.23 H new ATOM 1291 N GLU A 80 -15.881 0.048 12.416 1.00 22.40 N ATOM 1292 CA GLU A 80 -16.352 -0.788 13.514 1.00 20.31 C ATOM 1293 C GLU A 80 -17.750 -0.367 13.958 1.00 41.33 C ATOM 1294 O GLU A 80 -18.074 0.821 13.979 1.00 41.15 O ATOM 1295 CB GLU A 80 -15.384 -0.709 14.697 1.00 51.25 C ATOM 1296 CG GLU A 80 -16.002 -1.133 16.018 1.00 1.13 C ATOM 1297 CD GLU A 80 -15.046 -1.937 16.878 1.00 61.23 C ATOM 1298 OE1 GLU A 80 -14.279 -1.321 17.647 1.00 13.23 O ATOM 1299 OE2 GLU A 80 -15.064 -3.182 16.781 1.00 42.13 O ATOM 0 H GLU A 80 -15.971 1.051 12.580 1.00 22.40 H new ATOM 0 HA GLU A 80 -16.397 -1.817 13.159 1.00 20.31 H new ATOM 0 HB2 GLU A 80 -14.519 -1.340 14.491 1.00 51.25 H new ATOM 0 HB3 GLU A 80 -15.018 0.314 14.788 1.00 51.25 H new ATOM 0 HG2 GLU A 80 -16.321 -0.247 16.567 1.00 1.13 H new ATOM 0 HG3 GLU A 80 -16.896 -1.726 15.823 1.00 1.13 H new ATOM 1306 N ILE A 81 -18.573 -1.348 14.311 1.00 71.13 N ATOM 1307 CA ILE A 81 -19.935 -1.079 14.754 1.00 34.32 C ATOM 1308 C ILE A 81 -20.271 -1.873 16.012 1.00 24.13 C ATOM 1309 O ILE A 81 -19.868 -3.027 16.155 1.00 1.02 O ATOM 1310 CB ILE A 81 -20.962 -1.419 13.658 1.00 62.45 C ATOM 1311 CG1 ILE A 81 -20.431 -1.003 12.284 1.00 25.14 C ATOM 1312 CG2 ILE A 81 -22.291 -0.738 13.946 1.00 1.42 C ATOM 1313 CD1 ILE A 81 -20.362 0.496 12.092 1.00 30.30 C ATOM 0 H ILE A 81 -18.321 -2.336 14.299 1.00 71.13 H new ATOM 0 HA ILE A 81 -19.990 -0.013 14.974 1.00 34.32 H new ATOM 0 HB ILE A 81 -21.122 -2.497 13.654 1.00 62.45 H new ATOM 0 HG12 ILE A 81 -19.436 -1.425 12.145 1.00 25.14 H new ATOM 0 HG13 ILE A 81 -21.070 -1.431 11.512 1.00 25.14 H new ATOM 0 HG21 ILE A 81 -23.006 -0.989 13.162 1.00 1.42 H new ATOM 0 HG22 ILE A 81 -22.673 -1.079 14.908 1.00 1.42 H new ATOM 0 HG23 ILE A 81 -22.148 0.342 13.975 1.00 1.42 H new ATOM 0 HD11 ILE A 81 -19.977 0.718 11.097 1.00 30.30 H new ATOM 0 HD12 ILE A 81 -21.359 0.923 12.199 1.00 30.30 H new ATOM 0 HD13 ILE A 81 -19.700 0.929 12.842 1.00 30.30 H new ATOM 1325 N GLU A 82 -21.012 -1.247 16.921 1.00 42.42 N ATOM 1326 CA GLU A 82 -21.402 -1.896 18.167 1.00 50.21 C ATOM 1327 C GLU A 82 -22.773 -1.409 18.628 1.00 71.33 C ATOM 1328 O GLU A 82 -23.093 -0.225 18.518 1.00 31.44 O ATOM 1329 CB GLU A 82 -20.361 -1.627 19.256 1.00 60.14 C ATOM 1330 CG GLU A 82 -20.727 -0.475 20.177 1.00 62.34 C ATOM 1331 CD GLU A 82 -19.663 -0.204 21.222 1.00 4.21 C ATOM 1332 OE1 GLU A 82 -19.230 -1.166 21.891 1.00 13.44 O ATOM 1333 OE2 GLU A 82 -19.262 0.970 21.371 1.00 34.54 O ATOM 0 H GLU A 82 -21.354 -0.292 16.818 1.00 42.42 H new ATOM 0 HA GLU A 82 -21.458 -2.969 17.985 1.00 50.21 H new ATOM 0 HB2 GLU A 82 -20.230 -2.530 19.852 1.00 60.14 H new ATOM 0 HB3 GLU A 82 -19.402 -1.414 18.785 1.00 60.14 H new ATOM 0 HG2 GLU A 82 -20.885 0.425 19.582 1.00 62.34 H new ATOM 0 HG3 GLU A 82 -21.671 -0.698 20.674 1.00 62.34 H new ATOM 1340 N PHE A 83 -23.579 -2.332 19.143 1.00 52.43 N ATOM 1341 CA PHE A 83 -24.917 -1.998 19.619 1.00 64.31 C ATOM 1342 C PHE A 83 -24.911 -1.747 21.124 1.00 32.41 C ATOM 1343 O PHE A 83 -24.225 -2.438 21.878 1.00 2.30 O ATOM 1344 CB PHE A 83 -25.896 -3.124 19.282 1.00 55.03 C ATOM 1345 CG PHE A 83 -25.738 -3.659 17.887 1.00 1.02 C ATOM 1346 CD1 PHE A 83 -26.439 -3.098 16.832 1.00 44.42 C ATOM 1347 CD2 PHE A 83 -24.888 -4.723 17.632 1.00 43.35 C ATOM 1348 CE1 PHE A 83 -26.295 -3.589 15.548 1.00 50.41 C ATOM 1349 CE2 PHE A 83 -24.740 -5.218 16.349 1.00 3.35 C ATOM 1350 CZ PHE A 83 -25.444 -4.649 15.306 1.00 23.12 C ATOM 0 H PHE A 83 -23.329 -3.316 19.241 1.00 52.43 H new ATOM 0 HA PHE A 83 -25.238 -1.085 19.117 1.00 64.31 H new ATOM 0 HB2 PHE A 83 -25.758 -3.939 19.993 1.00 55.03 H new ATOM 0 HB3 PHE A 83 -26.915 -2.759 19.409 1.00 55.03 H new ATOM 0 HD1 PHE A 83 -27.105 -2.268 17.015 1.00 44.42 H new ATOM 0 HD2 PHE A 83 -24.335 -5.171 18.444 1.00 43.35 H new ATOM 0 HE1 PHE A 83 -26.848 -3.144 14.734 1.00 50.41 H new ATOM 0 HE2 PHE A 83 -24.075 -6.048 16.163 1.00 3.35 H new ATOM 0 HZ PHE A 83 -25.329 -5.032 14.303 1.00 23.12 H new ATOM 1360 N LYS A 84 -25.681 -0.754 21.555 1.00 51.10 N ATOM 1361 CA LYS A 84 -25.767 -0.410 22.969 1.00 33.33 C ATOM 1362 C LYS A 84 -27.215 -0.439 23.449 1.00 40.41 C ATOM 1363 O LYS A 84 -28.141 -0.561 22.649 1.00 53.44 O ATOM 1364 CB LYS A 84 -25.164 0.974 23.217 1.00 50.35 C ATOM 1365 CG LYS A 84 -24.042 1.329 22.256 1.00 10.22 C ATOM 1366 CD LYS A 84 -22.848 0.404 22.427 1.00 55.50 C ATOM 1367 CE LYS A 84 -22.473 0.244 23.892 1.00 32.51 C ATOM 1368 NZ LYS A 84 -21.207 -0.522 24.059 1.00 3.35 N ATOM 0 H LYS A 84 -26.255 -0.173 20.944 1.00 51.10 H new ATOM 0 HA LYS A 84 -25.201 -1.152 23.532 1.00 33.33 H new ATOM 0 HB2 LYS A 84 -25.951 1.724 23.137 1.00 50.35 H new ATOM 0 HB3 LYS A 84 -24.785 1.018 24.238 1.00 50.35 H new ATOM 0 HG2 LYS A 84 -24.407 1.268 21.231 1.00 10.22 H new ATOM 0 HG3 LYS A 84 -23.731 2.360 22.423 1.00 10.22 H new ATOM 0 HD2 LYS A 84 -23.079 -0.572 22.001 1.00 55.50 H new ATOM 0 HD3 LYS A 84 -21.997 0.801 21.874 1.00 55.50 H new ATOM 0 HE2 LYS A 84 -22.365 1.228 24.349 1.00 32.51 H new ATOM 0 HE3 LYS A 84 -23.279 -0.266 24.420 1.00 32.51 H new ATOM 0 HZ1 LYS A 84 -21.238 -1.053 24.953 1.00 3.35 H new ATOM 0 HZ2 LYS A 84 -21.095 -1.185 23.266 1.00 3.35 H new ATOM 0 HZ3 LYS A 84 -20.402 0.137 24.076 1.00 3.35 H new ATOM 1382 N ASN A 85 -27.402 -0.324 24.760 1.00 43.42 N ATOM 1383 CA ASN A 85 -28.737 -0.335 25.345 1.00 34.24 C ATOM 1384 C ASN A 85 -29.427 -1.674 25.101 1.00 40.02 C ATOM 1385 O ASN A 85 -29.577 -2.484 26.016 1.00 44.12 O ATOM 1386 CB ASN A 85 -29.582 0.800 24.763 1.00 1.14 C ATOM 1387 CG ASN A 85 -29.034 2.169 25.118 1.00 65.13 C ATOM 1388 OD1 ASN A 85 -27.741 2.366 24.886 1.00 2.34 O flip ATOM 1389 ND2 ASN A 85 -29.764 3.038 25.593 1.00 2.14 N flip ATOM 0 H ASN A 85 -26.646 -0.222 25.437 1.00 43.42 H new ATOM 0 HA ASN A 85 -28.636 -0.189 26.420 1.00 34.24 H new ATOM 0 HB2 ASN A 85 -29.624 0.699 23.679 1.00 1.14 H new ATOM 0 HB3 ASN A 85 -30.604 0.714 25.131 1.00 1.14 H new ATOM 0 HD21 ASN A 85 -30.752 2.842 25.754 1.00 2.14 H new ATOM 0 HD22 ASN A 85 -29.381 3.954 25.825 1.00 2.14 H new ATOM 1396 N VAL A 86 -29.845 -1.900 23.859 1.00 21.14 N ATOM 1397 CA VAL A 86 -30.517 -3.141 23.493 1.00 12.01 C ATOM 1398 C VAL A 86 -31.502 -3.572 24.574 1.00 54.12 C ATOM 1399 O VAL A 86 -31.127 -4.236 25.539 1.00 33.24 O ATOM 1400 CB VAL A 86 -29.506 -4.278 23.253 1.00 3.42 C ATOM 1401 CG1 VAL A 86 -28.876 -4.150 21.874 1.00 31.14 C ATOM 1402 CG2 VAL A 86 -28.439 -4.278 24.338 1.00 62.44 C ATOM 0 H VAL A 86 -29.730 -1.240 23.090 1.00 21.14 H new ATOM 0 HA VAL A 86 -31.059 -2.946 22.568 1.00 12.01 H new ATOM 0 HB VAL A 86 -30.037 -5.229 23.296 1.00 3.42 H new ATOM 0 HG11 VAL A 86 -28.165 -4.962 21.722 1.00 31.14 H new ATOM 0 HG12 VAL A 86 -29.654 -4.202 21.112 1.00 31.14 H new ATOM 0 HG13 VAL A 86 -28.358 -3.194 21.798 1.00 31.14 H new ATOM 0 HG21 VAL A 86 -27.733 -5.087 24.154 1.00 62.44 H new ATOM 0 HG22 VAL A 86 -27.910 -3.325 24.328 1.00 62.44 H new ATOM 0 HG23 VAL A 86 -28.909 -4.421 25.311 1.00 62.44 H new ATOM 1412 N GLN A 87 -32.764 -3.189 24.403 1.00 22.43 N ATOM 1413 CA GLN A 87 -33.803 -3.537 25.365 1.00 54.40 C ATOM 1414 C GLN A 87 -34.575 -4.771 24.911 1.00 61.24 C ATOM 1415 O GLN A 87 -34.284 -5.888 25.336 1.00 30.13 O ATOM 1416 CB GLN A 87 -34.764 -2.362 25.556 1.00 53.35 C ATOM 1417 CG GLN A 87 -34.774 -1.388 24.388 1.00 4.13 C ATOM 1418 CD GLN A 87 -35.845 -0.324 24.524 1.00 33.31 C ATOM 1419 OE1 GLN A 87 -36.872 -0.371 23.846 1.00 32.23 O ATOM 1420 NE2 GLN A 87 -35.612 0.643 25.404 1.00 62.15 N ATOM 0 H GLN A 87 -33.091 -2.639 23.609 1.00 22.43 H new ATOM 0 HA GLN A 87 -33.321 -3.762 26.316 1.00 54.40 H new ATOM 0 HB2 GLN A 87 -35.772 -2.749 25.705 1.00 53.35 H new ATOM 0 HB3 GLN A 87 -34.492 -1.824 26.464 1.00 53.35 H new ATOM 0 HG2 GLN A 87 -33.798 -0.908 24.312 1.00 4.13 H new ATOM 0 HG3 GLN A 87 -34.931 -1.940 23.461 1.00 4.13 H new ATOM 0 HE21 GLN A 87 -34.747 0.643 25.945 1.00 62.15 H new ATOM 0 HE22 GLN A 87 -36.298 1.386 25.539 1.00 62.15 H new ATOM 1429 N ASN A 88 -35.560 -4.561 24.044 1.00 73.43 N ATOM 1430 CA ASN A 88 -36.375 -5.658 23.532 1.00 3.23 C ATOM 1431 C ASN A 88 -35.512 -6.680 22.798 1.00 10.31 C ATOM 1432 O ASN A 88 -35.715 -7.887 22.927 1.00 54.00 O ATOM 1433 CB ASN A 88 -37.459 -5.121 22.595 1.00 24.40 C ATOM 1434 CG ASN A 88 -38.181 -6.229 21.852 1.00 3.03 C ATOM 1435 OD1 ASN A 88 -38.994 -6.951 22.429 1.00 12.44 O ATOM 1436 ND2 ASN A 88 -37.885 -6.368 20.565 1.00 31.42 N ATOM 0 H ASN A 88 -35.814 -3.642 23.681 1.00 73.43 H new ATOM 0 HA ASN A 88 -36.850 -6.152 24.380 1.00 3.23 H new ATOM 0 HB2 ASN A 88 -38.181 -4.544 23.172 1.00 24.40 H new ATOM 0 HB3 ASN A 88 -37.008 -4.438 21.875 1.00 24.40 H new ATOM 0 HD21 ASN A 88 -38.338 -7.096 20.013 1.00 31.42 H new ATOM 0 HD22 ASN A 88 -37.204 -5.746 20.128 1.00 31.42 H new ATOM 1443 N VAL A 89 -34.547 -6.187 22.028 1.00 72.14 N ATOM 1444 CA VAL A 89 -33.652 -7.057 21.274 1.00 41.41 C ATOM 1445 C VAL A 89 -32.830 -7.939 22.206 1.00 64.30 C ATOM 1446 O VAL A 89 -32.385 -7.497 23.265 1.00 51.44 O ATOM 1447 CB VAL A 89 -32.697 -6.241 20.382 1.00 61.21 C ATOM 1448 CG1 VAL A 89 -32.228 -4.989 21.107 1.00 50.35 C ATOM 1449 CG2 VAL A 89 -31.512 -7.093 19.952 1.00 74.32 C ATOM 0 H VAL A 89 -34.365 -5.190 21.910 1.00 72.14 H new ATOM 0 HA VAL A 89 -34.279 -7.686 20.642 1.00 41.41 H new ATOM 0 HB VAL A 89 -33.238 -5.933 19.487 1.00 61.21 H new ATOM 0 HG11 VAL A 89 -31.554 -4.426 20.461 1.00 50.35 H new ATOM 0 HG12 VAL A 89 -33.089 -4.371 21.360 1.00 50.35 H new ATOM 0 HG13 VAL A 89 -31.704 -5.272 22.020 1.00 50.35 H new ATOM 0 HG21 VAL A 89 -30.848 -6.501 19.323 1.00 74.32 H new ATOM 0 HG22 VAL A 89 -30.969 -7.433 20.834 1.00 74.32 H new ATOM 0 HG23 VAL A 89 -31.869 -7.957 19.391 1.00 74.32 H new ATOM 1459 N MET A 90 -32.631 -9.191 21.804 1.00 3.54 N ATOM 1460 CA MET A 90 -31.860 -10.136 22.604 1.00 43.24 C ATOM 1461 C MET A 90 -30.418 -10.213 22.113 1.00 65.24 C ATOM 1462 O MET A 90 -29.491 -9.802 22.812 1.00 71.33 O ATOM 1463 CB MET A 90 -32.503 -11.523 22.553 1.00 10.11 C ATOM 1464 CG MET A 90 -34.012 -11.500 22.733 1.00 53.32 C ATOM 1465 SD MET A 90 -34.847 -12.768 21.760 1.00 11.05 S ATOM 1466 CE MET A 90 -34.889 -11.987 20.149 1.00 4.22 C ATOM 0 H MET A 90 -32.993 -9.574 20.930 1.00 3.54 H new ATOM 0 HA MET A 90 -31.856 -9.783 23.635 1.00 43.24 H new ATOM 0 HB2 MET A 90 -32.266 -11.989 21.597 1.00 10.11 H new ATOM 0 HB3 MET A 90 -32.062 -12.148 23.330 1.00 10.11 H new ATOM 0 HG2 MET A 90 -34.250 -11.641 23.787 1.00 53.32 H new ATOM 0 HG3 MET A 90 -34.393 -10.519 22.448 1.00 53.32 H new ATOM 0 HE1 MET A 90 -35.377 -12.651 19.436 1.00 4.22 H new ATOM 0 HE2 MET A 90 -35.444 -11.051 20.213 1.00 4.22 H new ATOM 0 HE3 MET A 90 -33.871 -11.783 19.817 1.00 4.22 H new ATOM 1476 N ASP A 91 -30.235 -10.742 20.908 1.00 71.21 N ATOM 1477 CA ASP A 91 -28.905 -10.873 20.323 1.00 14.34 C ATOM 1478 C ASP A 91 -28.977 -11.537 18.952 1.00 34.11 C ATOM 1479 O ASP A 91 -28.176 -11.242 18.065 1.00 13.34 O ATOM 1480 CB ASP A 91 -27.995 -11.682 21.249 1.00 54.22 C ATOM 1481 CG ASP A 91 -28.552 -13.060 21.548 1.00 64.15 C ATOM 1482 OD1 ASP A 91 -29.447 -13.165 22.412 1.00 3.53 O ATOM 1483 OD2 ASP A 91 -28.092 -14.034 20.916 1.00 74.41 O ATOM 0 H ASP A 91 -30.991 -11.087 20.317 1.00 71.21 H new ATOM 0 HA ASP A 91 -28.489 -9.873 20.200 1.00 14.34 H new ATOM 0 HB2 ASP A 91 -27.011 -11.782 20.790 1.00 54.22 H new ATOM 0 HB3 ASP A 91 -27.857 -11.138 22.184 1.00 54.22 H new ATOM 1488 N SER A 92 -29.942 -12.437 18.786 1.00 43.31 N ATOM 1489 CA SER A 92 -30.115 -13.147 17.524 1.00 12.12 C ATOM 1490 C SER A 92 -30.251 -12.167 16.363 1.00 14.41 C ATOM 1491 O SER A 92 -29.616 -12.330 15.322 1.00 1.11 O ATOM 1492 CB SER A 92 -31.347 -14.052 17.589 1.00 21.14 C ATOM 1493 OG SER A 92 -31.184 -15.195 16.768 1.00 22.20 O ATOM 0 H SER A 92 -30.615 -12.691 19.509 1.00 43.31 H new ATOM 0 HA SER A 92 -29.230 -13.761 17.357 1.00 12.12 H new ATOM 0 HB2 SER A 92 -31.520 -14.362 18.619 1.00 21.14 H new ATOM 0 HB3 SER A 92 -32.228 -13.495 17.271 1.00 21.14 H new ATOM 0 HG SER A 92 -31.984 -15.758 16.828 1.00 22.20 H new ATOM 1499 N GLN A 93 -31.085 -11.148 16.551 1.00 21.53 N ATOM 1500 CA GLN A 93 -31.305 -10.142 15.520 1.00 55.13 C ATOM 1501 C GLN A 93 -30.077 -9.253 15.355 1.00 13.33 C ATOM 1502 O GLN A 93 -29.738 -8.845 14.244 1.00 44.42 O ATOM 1503 CB GLN A 93 -32.526 -9.287 15.864 1.00 33.04 C ATOM 1504 CG GLN A 93 -32.233 -8.185 16.870 1.00 72.31 C ATOM 1505 CD GLN A 93 -33.468 -7.748 17.633 1.00 22.54 C ATOM 1506 OE1 GLN A 93 -33.911 -6.606 17.518 1.00 13.50 O ATOM 1507 NE2 GLN A 93 -34.031 -8.659 18.420 1.00 42.53 N ATOM 0 H GLN A 93 -31.618 -10.998 17.407 1.00 21.53 H new ATOM 0 HA GLN A 93 -31.486 -10.658 14.577 1.00 55.13 H new ATOM 0 HB2 GLN A 93 -32.915 -8.839 14.950 1.00 33.04 H new ATOM 0 HB3 GLN A 93 -33.310 -9.931 16.261 1.00 33.04 H new ATOM 0 HG2 GLN A 93 -31.479 -8.534 17.576 1.00 72.31 H new ATOM 0 HG3 GLN A 93 -31.809 -7.326 16.349 1.00 72.31 H new ATOM 0 HE21 GLN A 93 -33.630 -9.595 18.485 1.00 42.53 H new ATOM 0 HE22 GLN A 93 -34.864 -8.423 18.959 1.00 42.53 H new ATOM 1516 N LEU A 94 -29.415 -8.955 16.468 1.00 72.51 N ATOM 1517 CA LEU A 94 -28.224 -8.114 16.447 1.00 1.35 C ATOM 1518 C LEU A 94 -27.154 -8.706 15.536 1.00 52.14 C ATOM 1519 O LEU A 94 -26.573 -8.004 14.708 1.00 31.15 O ATOM 1520 CB LEU A 94 -27.669 -7.948 17.863 1.00 4.51 C ATOM 1521 CG LEU A 94 -27.720 -6.534 18.443 1.00 54.53 C ATOM 1522 CD1 LEU A 94 -29.072 -5.893 18.167 1.00 43.32 C ATOM 1523 CD2 LEU A 94 -27.435 -6.559 19.937 1.00 34.03 C ATOM 0 H LEU A 94 -29.683 -9.283 17.396 1.00 72.51 H new ATOM 0 HA LEU A 94 -28.507 -7.137 16.056 1.00 1.35 H new ATOM 0 HB2 LEU A 94 -28.221 -8.612 18.528 1.00 4.51 H new ATOM 0 HB3 LEU A 94 -26.632 -8.283 17.867 1.00 4.51 H new ATOM 0 HG LEU A 94 -26.950 -5.935 17.957 1.00 54.53 H new ATOM 0 HD11 LEU A 94 -29.090 -4.887 18.587 1.00 43.32 H new ATOM 0 HD12 LEU A 94 -29.237 -5.840 17.091 1.00 43.32 H new ATOM 0 HD13 LEU A 94 -29.859 -6.492 18.625 1.00 43.32 H new ATOM 0 HD21 LEU A 94 -27.476 -5.544 20.332 1.00 34.03 H new ATOM 0 HD22 LEU A 94 -28.181 -7.174 20.440 1.00 34.03 H new ATOM 0 HD23 LEU A 94 -26.443 -6.977 20.111 1.00 34.03 H new ATOM 1535 N GLN A 95 -26.902 -10.001 15.692 1.00 62.51 N ATOM 1536 CA GLN A 95 -25.903 -10.688 14.881 1.00 0.21 C ATOM 1537 C GLN A 95 -26.291 -10.667 13.406 1.00 0.43 C ATOM 1538 O GLN A 95 -25.431 -10.594 12.529 1.00 4.14 O ATOM 1539 CB GLN A 95 -25.735 -12.132 15.356 1.00 70.32 C ATOM 1540 CG GLN A 95 -25.610 -12.266 16.865 1.00 72.11 C ATOM 1541 CD GLN A 95 -24.193 -12.570 17.309 1.00 43.35 C ATOM 1542 OE1 GLN A 95 -23.696 -13.681 17.122 1.00 50.21 O ATOM 1543 NE2 GLN A 95 -23.533 -11.581 17.900 1.00 44.33 N ATOM 0 H GLN A 95 -27.375 -10.596 16.372 1.00 62.51 H new ATOM 0 HA GLN A 95 -24.955 -10.163 14.996 1.00 0.21 H new ATOM 0 HB2 GLN A 95 -26.589 -12.719 15.017 1.00 70.32 H new ATOM 0 HB3 GLN A 95 -24.849 -12.559 14.887 1.00 70.32 H new ATOM 0 HG2 GLN A 95 -25.944 -11.342 17.337 1.00 72.11 H new ATOM 0 HG3 GLN A 95 -26.273 -13.059 17.212 1.00 72.11 H new ATOM 0 HE21 GLN A 95 -23.984 -10.676 18.035 1.00 44.33 H new ATOM 0 HE22 GLN A 95 -22.575 -11.726 18.219 1.00 44.33 H new ATOM 1552 N MET A 96 -27.592 -10.731 13.141 1.00 65.13 N ATOM 1553 CA MET A 96 -28.093 -10.718 11.771 1.00 30.43 C ATOM 1554 C MET A 96 -27.679 -9.438 11.052 1.00 24.54 C ATOM 1555 O MET A 96 -27.318 -9.465 9.875 1.00 41.31 O ATOM 1556 CB MET A 96 -29.617 -10.852 11.762 1.00 11.44 C ATOM 1557 CG MET A 96 -30.248 -10.526 10.418 1.00 3.02 C ATOM 1558 SD MET A 96 -32.021 -10.223 10.538 1.00 31.30 S ATOM 1559 CE MET A 96 -32.062 -8.940 11.787 1.00 21.43 C ATOM 0 H MET A 96 -28.317 -10.792 13.855 1.00 65.13 H new ATOM 0 HA MET A 96 -27.657 -11.566 11.243 1.00 30.43 H new ATOM 0 HB2 MET A 96 -29.886 -11.870 12.043 1.00 11.44 H new ATOM 0 HB3 MET A 96 -30.036 -10.191 12.521 1.00 11.44 H new ATOM 0 HG2 MET A 96 -29.761 -9.647 9.996 1.00 3.02 H new ATOM 0 HG3 MET A 96 -30.070 -11.351 9.728 1.00 3.02 H new ATOM 0 HE1 MET A 96 -32.901 -8.271 11.594 1.00 21.43 H new ATOM 0 HE2 MET A 96 -32.179 -9.394 12.771 1.00 21.43 H new ATOM 0 HE3 MET A 96 -31.131 -8.373 11.757 1.00 21.43 H new ATOM 1569 N LEU A 97 -27.733 -8.320 11.767 1.00 4.01 N ATOM 1570 CA LEU A 97 -27.363 -7.029 11.197 1.00 62.11 C ATOM 1571 C LEU A 97 -25.867 -6.971 10.906 1.00 4.32 C ATOM 1572 O LEU A 97 -25.443 -6.449 9.875 1.00 52.15 O ATOM 1573 CB LEU A 97 -27.753 -5.898 12.150 1.00 53.14 C ATOM 1574 CG LEU A 97 -29.215 -5.872 12.598 1.00 71.33 C ATOM 1575 CD1 LEU A 97 -29.394 -4.936 13.783 1.00 42.25 C ATOM 1576 CD2 LEU A 97 -30.119 -5.457 11.446 1.00 43.30 C ATOM 0 H LEU A 97 -28.029 -8.281 12.742 1.00 4.01 H new ATOM 0 HA LEU A 97 -27.902 -6.906 10.258 1.00 62.11 H new ATOM 0 HB2 LEU A 97 -27.123 -5.964 13.037 1.00 53.14 H new ATOM 0 HB3 LEU A 97 -27.525 -4.948 11.667 1.00 53.14 H new ATOM 0 HG LEU A 97 -29.497 -6.878 12.910 1.00 71.33 H new ATOM 0 HD11 LEU A 97 -30.441 -4.931 14.088 1.00 42.25 H new ATOM 0 HD12 LEU A 97 -28.776 -5.278 14.613 1.00 42.25 H new ATOM 0 HD13 LEU A 97 -29.094 -3.927 13.499 1.00 42.25 H new ATOM 0 HD21 LEU A 97 -31.155 -5.444 11.783 1.00 43.30 H new ATOM 0 HD22 LEU A 97 -29.837 -4.462 11.102 1.00 43.30 H new ATOM 0 HD23 LEU A 97 -30.013 -6.168 10.626 1.00 43.30 H new ATOM 1588 N LYS A 98 -25.070 -7.512 11.822 1.00 42.34 N ATOM 1589 CA LYS A 98 -23.620 -7.525 11.663 1.00 34.13 C ATOM 1590 C LYS A 98 -23.221 -8.222 10.366 1.00 11.24 C ATOM 1591 O LYS A 98 -22.266 -7.819 9.703 1.00 41.32 O ATOM 1592 CB LYS A 98 -22.963 -8.226 12.854 1.00 11.04 C ATOM 1593 CG LYS A 98 -23.255 -7.561 14.188 1.00 1.33 C ATOM 1594 CD LYS A 98 -22.555 -6.217 14.307 1.00 63.45 C ATOM 1595 CE LYS A 98 -21.606 -6.186 15.495 1.00 63.12 C ATOM 1596 NZ LYS A 98 -20.238 -6.645 15.125 1.00 51.53 N ATOM 0 H LYS A 98 -25.404 -7.947 12.682 1.00 42.34 H new ATOM 0 HA LYS A 98 -23.274 -6.492 11.621 1.00 34.13 H new ATOM 0 HB2 LYS A 98 -23.306 -9.260 12.890 1.00 11.04 H new ATOM 0 HB3 LYS A 98 -21.884 -8.253 12.699 1.00 11.04 H new ATOM 0 HG2 LYS A 98 -24.331 -7.423 14.299 1.00 1.33 H new ATOM 0 HG3 LYS A 98 -22.932 -8.213 14.999 1.00 1.33 H new ATOM 0 HD2 LYS A 98 -22.000 -6.012 13.391 1.00 63.45 H new ATOM 0 HD3 LYS A 98 -23.298 -5.427 14.413 1.00 63.45 H new ATOM 0 HE2 LYS A 98 -21.554 -5.172 15.892 1.00 63.12 H new ATOM 0 HE3 LYS A 98 -21.999 -6.820 16.290 1.00 63.12 H new ATOM 0 HZ1 LYS A 98 -19.622 -6.609 15.962 1.00 51.53 H new ATOM 0 HZ2 LYS A 98 -20.284 -7.622 14.770 1.00 51.53 H new ATOM 0 HZ3 LYS A 98 -19.852 -6.025 14.384 1.00 51.53 H new ATOM 1610 N SER A 99 -23.959 -9.268 10.011 1.00 73.35 N ATOM 1611 CA SER A 99 -23.680 -10.022 8.794 1.00 74.21 C ATOM 1612 C SER A 99 -23.992 -9.188 7.555 1.00 62.53 C ATOM 1613 O SER A 99 -23.220 -9.171 6.596 1.00 13.33 O ATOM 1614 CB SER A 99 -24.498 -11.315 8.771 1.00 20.22 C ATOM 1615 OG SER A 99 -23.656 -12.449 8.651 1.00 12.20 O ATOM 0 H SER A 99 -24.754 -9.613 10.548 1.00 73.35 H new ATOM 0 HA SER A 99 -22.619 -10.271 8.786 1.00 74.21 H new ATOM 0 HB2 SER A 99 -25.089 -11.392 9.684 1.00 20.22 H new ATOM 0 HB3 SER A 99 -25.200 -11.290 7.938 1.00 20.22 H new ATOM 0 HG SER A 99 -24.202 -13.262 8.640 1.00 12.20 H new ATOM 1621 N GLU A 100 -25.128 -8.499 7.583 1.00 33.31 N ATOM 1622 CA GLU A 100 -25.542 -7.664 6.462 1.00 75.01 C ATOM 1623 C GLU A 100 -24.600 -6.476 6.291 1.00 30.01 C ATOM 1624 O GLU A 100 -24.485 -5.912 5.203 1.00 54.40 O ATOM 1625 CB GLU A 100 -26.975 -7.167 6.669 1.00 23.11 C ATOM 1626 CG GLU A 100 -28.034 -8.159 6.219 1.00 52.11 C ATOM 1627 CD GLU A 100 -28.050 -8.353 4.715 1.00 15.40 C ATOM 1628 OE1 GLU A 100 -27.601 -7.437 3.995 1.00 51.43 O ATOM 1629 OE2 GLU A 100 -28.512 -9.419 4.259 1.00 75.05 O ATOM 0 H GLU A 100 -25.778 -8.503 8.369 1.00 33.31 H new ATOM 0 HA GLU A 100 -25.502 -8.270 5.557 1.00 75.01 H new ATOM 0 HB2 GLU A 100 -27.124 -6.943 7.725 1.00 23.11 H new ATOM 0 HB3 GLU A 100 -27.109 -6.233 6.124 1.00 23.11 H new ATOM 0 HG2 GLU A 100 -27.856 -9.119 6.704 1.00 52.11 H new ATOM 0 HG3 GLU A 100 -29.014 -7.813 6.547 1.00 52.11 H new ATOM 1636 N PHE A 101 -23.928 -6.101 7.374 1.00 25.44 N ATOM 1637 CA PHE A 101 -22.996 -4.980 7.346 1.00 10.21 C ATOM 1638 C PHE A 101 -21.867 -5.235 6.352 1.00 21.51 C ATOM 1639 O PHE A 101 -21.404 -4.320 5.672 1.00 44.13 O ATOM 1640 CB PHE A 101 -22.417 -4.735 8.741 1.00 10.10 C ATOM 1641 CG PHE A 101 -23.427 -4.225 9.728 1.00 15.04 C ATOM 1642 CD1 PHE A 101 -24.751 -4.051 9.358 1.00 32.30 C ATOM 1643 CD2 PHE A 101 -23.053 -3.919 11.027 1.00 54.10 C ATOM 1644 CE1 PHE A 101 -25.684 -3.583 10.264 1.00 3.43 C ATOM 1645 CE2 PHE A 101 -23.981 -3.450 11.938 1.00 74.34 C ATOM 1646 CZ PHE A 101 -25.298 -3.281 11.556 1.00 41.24 C ATOM 0 H PHE A 101 -24.011 -6.557 8.282 1.00 25.44 H new ATOM 0 HA PHE A 101 -23.544 -4.093 7.027 1.00 10.21 H new ATOM 0 HB2 PHE A 101 -21.991 -5.665 9.117 1.00 10.10 H new ATOM 0 HB3 PHE A 101 -21.600 -4.017 8.666 1.00 10.10 H new ATOM 0 HD1 PHE A 101 -25.058 -4.284 8.349 1.00 32.30 H new ATOM 0 HD2 PHE A 101 -22.025 -4.048 11.331 1.00 54.10 H new ATOM 0 HE1 PHE A 101 -26.713 -3.454 9.963 1.00 3.43 H new ATOM 0 HE2 PHE A 101 -23.677 -3.216 12.947 1.00 74.34 H new ATOM 0 HZ PHE A 101 -26.024 -2.914 12.266 1.00 41.24 H new ATOM 1656 N LYS A 102 -21.428 -6.487 6.274 1.00 24.01 N ATOM 1657 CA LYS A 102 -20.353 -6.866 5.364 1.00 74.10 C ATOM 1658 C LYS A 102 -20.772 -6.660 3.912 1.00 54.31 C ATOM 1659 O LYS A 102 -19.983 -6.201 3.086 1.00 1.52 O ATOM 1660 CB LYS A 102 -19.958 -8.327 5.589 1.00 33.31 C ATOM 1661 CG LYS A 102 -18.685 -8.731 4.867 1.00 62.34 C ATOM 1662 CD LYS A 102 -18.957 -9.776 3.798 1.00 75.32 C ATOM 1663 CE LYS A 102 -19.880 -9.238 2.715 1.00 63.14 C ATOM 1664 NZ LYS A 102 -19.912 -10.128 1.521 1.00 61.00 N ATOM 0 H LYS A 102 -21.800 -7.257 6.830 1.00 24.01 H new ATOM 0 HA LYS A 102 -19.494 -6.228 5.570 1.00 74.10 H new ATOM 0 HB2 LYS A 102 -19.830 -8.499 6.658 1.00 33.31 H new ATOM 0 HB3 LYS A 102 -20.773 -8.970 5.258 1.00 33.31 H new ATOM 0 HG2 LYS A 102 -18.230 -7.852 4.410 1.00 62.34 H new ATOM 0 HG3 LYS A 102 -17.967 -9.124 5.587 1.00 62.34 H new ATOM 0 HD2 LYS A 102 -18.015 -10.094 3.350 1.00 75.32 H new ATOM 0 HD3 LYS A 102 -19.406 -10.658 4.255 1.00 75.32 H new ATOM 0 HE2 LYS A 102 -20.888 -9.132 3.116 1.00 63.14 H new ATOM 0 HE3 LYS A 102 -19.549 -8.243 2.417 1.00 63.14 H new ATOM 0 HZ1 LYS A 102 -20.552 -9.727 0.806 1.00 61.00 H new ATOM 0 HZ2 LYS A 102 -18.955 -10.209 1.123 1.00 61.00 H new ATOM 0 HZ3 LYS A 102 -20.252 -11.071 1.800 1.00 61.00 H new ATOM 1678 N LYS A 103 -22.020 -7.000 3.607 1.00 61.43 N ATOM 1679 CA LYS A 103 -22.546 -6.850 2.255 1.00 24.10 C ATOM 1680 C LYS A 103 -22.711 -5.377 1.896 1.00 1.22 C ATOM 1681 O LYS A 103 -22.417 -4.965 0.774 1.00 63.25 O ATOM 1682 CB LYS A 103 -23.889 -7.571 2.125 1.00 31.42 C ATOM 1683 CG LYS A 103 -23.756 -9.062 1.863 1.00 15.34 C ATOM 1684 CD LYS A 103 -24.088 -9.877 3.102 1.00 23.11 C ATOM 1685 CE LYS A 103 -25.590 -10.028 3.284 1.00 31.45 C ATOM 1686 NZ LYS A 103 -25.929 -11.190 4.152 1.00 32.30 N ATOM 0 H LYS A 103 -22.686 -7.382 4.278 1.00 61.43 H new ATOM 0 HA LYS A 103 -21.832 -7.297 1.563 1.00 24.10 H new ATOM 0 HB2 LYS A 103 -24.462 -7.421 3.040 1.00 31.42 H new ATOM 0 HB3 LYS A 103 -24.458 -7.117 1.314 1.00 31.42 H new ATOM 0 HG2 LYS A 103 -24.420 -9.350 1.048 1.00 15.34 H new ATOM 0 HG3 LYS A 103 -22.739 -9.287 1.540 1.00 15.34 H new ATOM 0 HD2 LYS A 103 -23.629 -10.863 3.024 1.00 23.11 H new ATOM 0 HD3 LYS A 103 -23.661 -9.395 3.981 1.00 23.11 H new ATOM 0 HE2 LYS A 103 -25.996 -9.116 3.722 1.00 31.45 H new ATOM 0 HE3 LYS A 103 -26.063 -10.152 2.310 1.00 31.45 H new ATOM 0 HZ1 LYS A 103 -26.898 -11.082 4.515 1.00 32.30 H new ATOM 0 HZ2 LYS A 103 -25.863 -12.068 3.598 1.00 32.30 H new ATOM 0 HZ3 LYS A 103 -25.264 -11.233 4.950 1.00 32.30 H new ATOM 1700 N ILE A 104 -23.181 -4.588 2.856 1.00 15.12 N ATOM 1701 CA ILE A 104 -23.383 -3.160 2.641 1.00 22.41 C ATOM 1702 C ILE A 104 -22.059 -2.453 2.374 1.00 43.31 C ATOM 1703 O ILE A 104 -21.941 -1.668 1.432 1.00 2.23 O ATOM 1704 CB ILE A 104 -24.070 -2.500 3.851 1.00 22.11 C ATOM 1705 CG1 ILE A 104 -25.563 -2.833 3.861 1.00 12.15 C ATOM 1706 CG2 ILE A 104 -23.857 -0.994 3.824 1.00 54.11 C ATOM 1707 CD1 ILE A 104 -26.089 -3.210 5.229 1.00 64.42 C ATOM 0 H ILE A 104 -23.429 -4.913 3.790 1.00 15.12 H new ATOM 0 HA ILE A 104 -24.029 -3.060 1.769 1.00 22.41 H new ATOM 0 HB ILE A 104 -23.623 -2.894 4.764 1.00 22.11 H new ATOM 0 HG12 ILE A 104 -26.121 -1.973 3.490 1.00 12.15 H new ATOM 0 HG13 ILE A 104 -25.748 -3.655 3.170 1.00 12.15 H new ATOM 0 HG21 ILE A 104 -24.348 -0.542 4.685 1.00 54.11 H new ATOM 0 HG22 ILE A 104 -22.789 -0.777 3.860 1.00 54.11 H new ATOM 0 HG23 ILE A 104 -24.280 -0.583 2.908 1.00 54.11 H new ATOM 0 HD11 ILE A 104 -27.154 -3.433 5.161 1.00 64.42 H new ATOM 0 HD12 ILE A 104 -25.557 -4.088 5.594 1.00 64.42 H new ATOM 0 HD13 ILE A 104 -25.936 -2.380 5.919 1.00 64.42 H new ATOM 1719 N HIS A 105 -21.063 -2.737 3.208 1.00 52.13 N ATOM 1720 CA HIS A 105 -19.745 -2.129 3.060 1.00 34.31 C ATOM 1721 C HIS A 105 -19.111 -2.524 1.730 1.00 52.33 C ATOM 1722 O HIS A 105 -18.498 -1.698 1.055 1.00 61.02 O ATOM 1723 CB HIS A 105 -18.836 -2.547 4.216 1.00 64.12 C ATOM 1724 CG HIS A 105 -17.386 -2.260 3.971 1.00 13.42 C ATOM 1725 ND1 HIS A 105 -16.941 -1.110 3.353 1.00 22.04 N ATOM 1726 CD2 HIS A 105 -16.279 -2.979 4.267 1.00 63.43 C ATOM 1727 CE1 HIS A 105 -15.622 -1.136 3.278 1.00 72.11 C ATOM 1728 NE2 HIS A 105 -15.196 -2.260 3.826 1.00 44.25 N ATOM 0 H HIS A 105 -21.144 -3.384 3.993 1.00 52.13 H new ATOM 0 HA HIS A 105 -19.867 -1.046 3.076 1.00 34.31 H new ATOM 0 HB2 HIS A 105 -19.152 -2.030 5.122 1.00 64.12 H new ATOM 0 HB3 HIS A 105 -18.961 -3.614 4.398 1.00 64.12 H new ATOM 0 HD2 HIS A 105 -16.252 -3.940 4.759 1.00 63.43 H new ATOM 0 HE1 HIS A 105 -14.998 -0.369 2.843 1.00 72.11 H new ATOM 0 HE2 HIS A 105 -14.221 -2.547 3.908 1.00 44.25 H new ATOM 1736 N ASN A 106 -19.263 -3.791 1.360 1.00 72.22 N ATOM 1737 CA ASN A 106 -18.704 -4.295 0.111 1.00 71.23 C ATOM 1738 C ASN A 106 -19.232 -3.502 -1.081 1.00 1.22 C ATOM 1739 O ASN A 106 -18.506 -3.247 -2.043 1.00 32.04 O ATOM 1740 CB ASN A 106 -19.039 -5.778 -0.061 1.00 35.12 C ATOM 1741 CG ASN A 106 -17.806 -6.626 -0.303 1.00 5.32 C ATOM 1742 OD1 ASN A 106 -16.850 -6.183 -0.940 1.00 60.05 O ATOM 1743 ND2 ASN A 106 -17.821 -7.852 0.207 1.00 51.03 N ATOM 0 H ASN A 106 -19.769 -4.488 1.907 1.00 72.22 H new ATOM 0 HA ASN A 106 -17.621 -4.176 0.153 1.00 71.23 H new ATOM 0 HB2 ASN A 106 -19.554 -6.137 0.830 1.00 35.12 H new ATOM 0 HB3 ASN A 106 -19.728 -5.897 -0.897 1.00 35.12 H new ATOM 0 HD21 ASN A 106 -17.018 -8.468 0.078 1.00 51.03 H new ATOM 0 HD22 ASN A 106 -18.635 -8.178 0.728 1.00 51.03 H new ATOM 1750 N THR A 107 -20.501 -3.113 -1.010 1.00 52.43 N ATOM 1751 CA THR A 107 -21.127 -2.349 -2.082 1.00 51.12 C ATOM 1752 C THR A 107 -20.851 -0.858 -1.928 1.00 40.44 C ATOM 1753 O THR A 107 -20.855 -0.112 -2.908 1.00 11.34 O ATOM 1754 CB THR A 107 -22.650 -2.576 -2.119 1.00 32.33 C ATOM 1755 OG1 THR A 107 -23.246 -1.746 -3.122 1.00 65.22 O ATOM 1756 CG2 THR A 107 -23.275 -2.272 -0.766 1.00 33.44 C ATOM 0 H THR A 107 -21.116 -3.314 -0.221 1.00 52.43 H new ATOM 0 HA THR A 107 -20.692 -2.702 -3.017 1.00 51.12 H new ATOM 0 HB THR A 107 -22.833 -3.623 -2.360 1.00 32.33 H new ATOM 0 HG1 THR A 107 -24.214 -1.898 -3.140 1.00 65.22 H new ATOM 0 HG21 THR A 107 -24.351 -2.439 -0.816 1.00 33.44 H new ATOM 0 HG22 THR A 107 -22.841 -2.926 -0.010 1.00 33.44 H new ATOM 0 HG23 THR A 107 -23.082 -1.233 -0.501 1.00 33.44 H new ATOM 1764 N SER A 108 -20.611 -0.429 -0.693 1.00 64.23 N ATOM 1765 CA SER A 108 -20.335 0.975 -0.411 1.00 72.32 C ATOM 1766 C SER A 108 -18.871 1.176 -0.032 1.00 71.41 C ATOM 1767 O SER A 108 -18.513 2.171 0.598 1.00 23.41 O ATOM 1768 CB SER A 108 -21.239 1.477 0.716 1.00 13.11 C ATOM 1769 OG SER A 108 -21.170 0.623 1.845 1.00 70.35 O ATOM 0 H SER A 108 -20.602 -1.034 0.128 1.00 64.23 H new ATOM 0 HA SER A 108 -20.540 1.549 -1.315 1.00 72.32 H new ATOM 0 HB2 SER A 108 -20.943 2.487 1.001 1.00 13.11 H new ATOM 0 HB3 SER A 108 -22.268 1.535 0.362 1.00 13.11 H new ATOM 0 HG SER A 108 -21.868 -0.062 1.780 1.00 70.35 H new ATOM 1775 N ARG A 109 -18.030 0.223 -0.421 1.00 2.12 N ATOM 1776 CA ARG A 109 -16.605 0.294 -0.121 1.00 63.32 C ATOM 1777 C ARG A 109 -15.968 1.507 -0.792 1.00 44.01 C ATOM 1778 O ARG A 109 -15.297 1.382 -1.816 1.00 4.33 O ATOM 1779 CB ARG A 109 -15.901 -0.985 -0.581 1.00 53.40 C ATOM 1780 CG ARG A 109 -14.385 -0.883 -0.571 1.00 42.41 C ATOM 1781 CD ARG A 109 -13.737 -2.236 -0.325 1.00 70.32 C ATOM 1782 NE ARG A 109 -12.389 -2.307 -0.882 1.00 62.11 N ATOM 1783 CZ ARG A 109 -11.767 -3.448 -1.159 1.00 52.24 C ATOM 1784 NH1 ARG A 109 -12.370 -4.607 -0.933 1.00 43.01 N ATOM 1785 NH2 ARG A 109 -10.540 -3.430 -1.665 1.00 34.53 N ATOM 0 H ARG A 109 -18.311 -0.607 -0.944 1.00 2.12 H new ATOM 0 HA ARG A 109 -16.491 0.396 0.958 1.00 63.32 H new ATOM 0 HB2 ARG A 109 -16.205 -1.809 0.064 1.00 53.40 H new ATOM 0 HB3 ARG A 109 -16.234 -1.230 -1.590 1.00 53.40 H new ATOM 0 HG2 ARG A 109 -14.040 -0.481 -1.524 1.00 42.41 H new ATOM 0 HG3 ARG A 109 -14.072 -0.182 0.203 1.00 42.41 H new ATOM 0 HD2 ARG A 109 -13.697 -2.429 0.747 1.00 70.32 H new ATOM 0 HD3 ARG A 109 -14.353 -3.019 -0.767 1.00 70.32 H new ATOM 0 HE ARG A 109 -11.898 -1.433 -1.069 1.00 62.11 H new ATOM 0 HH11 ARG A 109 -13.313 -4.624 -0.546 1.00 43.01 H new ATOM 0 HH12 ARG A 109 -11.890 -5.482 -1.146 1.00 43.01 H new ATOM 0 HH21 ARG A 109 -10.074 -2.540 -1.841 1.00 34.53 H new ATOM 0 HH22 ARG A 109 -10.063 -4.306 -1.877 1.00 34.53 H new ATOM 1799 N GLY A 110 -16.183 2.682 -0.207 1.00 73.44 N ATOM 1800 CA GLY A 110 -15.624 3.900 -0.762 1.00 53.45 C ATOM 1801 C GLY A 110 -16.617 5.046 -0.763 1.00 30.12 C ATOM 1802 O GLY A 110 -16.604 5.886 -1.662 1.00 4.11 O ATOM 0 H GLY A 110 -16.734 2.811 0.641 1.00 73.44 H new ATOM 0 HA2 GLY A 110 -14.743 4.187 -0.187 1.00 53.45 H new ATOM 0 HA3 GLY A 110 -15.291 3.711 -1.782 1.00 53.45 H new ATOM 1806 N GLN A 111 -17.481 5.079 0.247 1.00 61.42 N ATOM 1807 CA GLN A 111 -18.486 6.129 0.357 1.00 35.34 C ATOM 1808 C GLN A 111 -19.181 6.077 1.714 1.00 25.14 C ATOM 1809 O GLN A 111 -18.714 5.406 2.635 1.00 52.52 O ATOM 1810 CB GLN A 111 -19.520 5.995 -0.763 1.00 24.44 C ATOM 1811 CG GLN A 111 -20.422 4.780 -0.616 1.00 24.30 C ATOM 1812 CD GLN A 111 -20.768 4.146 -1.949 1.00 24.53 C ATOM 1813 OE1 GLN A 111 -19.884 3.822 -2.743 1.00 73.32 O ATOM 1814 NE2 GLN A 111 -22.059 3.964 -2.201 1.00 3.20 N ATOM 0 H GLN A 111 -17.505 4.391 1.000 1.00 61.42 H new ATOM 0 HA GLN A 111 -17.981 7.091 0.263 1.00 35.34 H new ATOM 0 HB2 GLN A 111 -20.136 6.894 -0.787 1.00 24.44 H new ATOM 0 HB3 GLN A 111 -19.001 5.939 -1.720 1.00 24.44 H new ATOM 0 HG2 GLN A 111 -19.930 4.041 0.017 1.00 24.30 H new ATOM 0 HG3 GLN A 111 -21.341 5.073 -0.108 1.00 24.30 H new ATOM 0 HE21 GLN A 111 -22.758 4.248 -1.514 1.00 3.20 H new ATOM 0 HE22 GLN A 111 -22.352 3.541 -3.081 1.00 3.20 H new ATOM 1823 N GLU A 112 -20.297 6.790 1.830 1.00 23.34 N ATOM 1824 CA GLU A 112 -21.054 6.825 3.076 1.00 3.12 C ATOM 1825 C GLU A 112 -21.708 5.475 3.354 1.00 72.23 C ATOM 1826 O GLU A 112 -22.371 4.905 2.487 1.00 74.03 O ATOM 1827 CB GLU A 112 -22.121 7.920 3.019 1.00 34.32 C ATOM 1828 CG GLU A 112 -21.596 9.257 2.525 1.00 12.11 C ATOM 1829 CD GLU A 112 -22.703 10.183 2.059 1.00 34.43 C ATOM 1830 OE1 GLU A 112 -23.454 10.689 2.920 1.00 62.13 O ATOM 1831 OE2 GLU A 112 -22.820 10.400 0.835 1.00 3.33 O ATOM 0 H GLU A 112 -20.697 7.351 1.077 1.00 23.34 H new ATOM 0 HA GLU A 112 -20.360 7.046 3.887 1.00 3.12 H new ATOM 0 HB2 GLU A 112 -22.930 7.593 2.366 1.00 34.32 H new ATOM 0 HB3 GLU A 112 -22.548 8.052 4.013 1.00 34.32 H new ATOM 0 HG2 GLU A 112 -21.035 9.741 3.325 1.00 12.11 H new ATOM 0 HG3 GLU A 112 -20.899 9.088 1.704 1.00 12.11 H new ATOM 1838 N ILE A 113 -21.516 4.969 4.567 1.00 11.33 N ATOM 1839 CA ILE A 113 -22.088 3.687 4.959 1.00 24.04 C ATOM 1840 C ILE A 113 -22.893 3.815 6.248 1.00 51.11 C ATOM 1841 O ILE A 113 -23.577 2.878 6.660 1.00 71.32 O ATOM 1842 CB ILE A 113 -20.995 2.620 5.154 1.00 23.54 C ATOM 1843 CG1 ILE A 113 -20.141 2.951 6.380 1.00 23.41 C ATOM 1844 CG2 ILE A 113 -20.127 2.517 3.909 1.00 24.23 C ATOM 1845 CD1 ILE A 113 -19.321 1.781 6.879 1.00 12.32 C ATOM 0 H ILE A 113 -20.969 5.427 5.296 1.00 11.33 H new ATOM 0 HA ILE A 113 -22.749 3.376 4.150 1.00 24.04 H new ATOM 0 HB ILE A 113 -21.475 1.655 5.319 1.00 23.54 H new ATOM 0 HG12 ILE A 113 -19.471 3.775 6.134 1.00 23.41 H new ATOM 0 HG13 ILE A 113 -20.791 3.297 7.183 1.00 23.41 H new ATOM 0 HG21 ILE A 113 -19.359 1.759 4.062 1.00 24.23 H new ATOM 0 HG22 ILE A 113 -20.746 2.239 3.056 1.00 24.23 H new ATOM 0 HG23 ILE A 113 -19.653 3.479 3.715 1.00 24.23 H new ATOM 0 HD11 ILE A 113 -18.741 2.088 7.749 1.00 12.32 H new ATOM 0 HD12 ILE A 113 -19.986 0.963 7.156 1.00 12.32 H new ATOM 0 HD13 ILE A 113 -18.645 1.448 6.091 1.00 12.32 H new ATOM 1857 N ILE A 114 -22.808 4.981 6.879 1.00 53.54 N ATOM 1858 CA ILE A 114 -23.532 5.233 8.119 1.00 43.13 C ATOM 1859 C ILE A 114 -25.039 5.209 7.890 1.00 32.24 C ATOM 1860 O ILE A 114 -25.787 4.620 8.671 1.00 21.33 O ATOM 1861 CB ILE A 114 -23.139 6.589 8.734 1.00 22.05 C ATOM 1862 CG1 ILE A 114 -21.620 6.678 8.900 1.00 34.33 C ATOM 1863 CG2 ILE A 114 -23.836 6.785 10.073 1.00 64.23 C ATOM 1864 CD1 ILE A 114 -21.035 5.551 9.722 1.00 35.42 C ATOM 0 H ILE A 114 -22.245 5.766 6.552 1.00 53.54 H new ATOM 0 HA ILE A 114 -23.260 4.436 8.811 1.00 43.13 H new ATOM 0 HB ILE A 114 -23.459 7.383 8.060 1.00 22.05 H new ATOM 0 HG12 ILE A 114 -21.154 6.678 7.914 1.00 34.33 H new ATOM 0 HG13 ILE A 114 -21.369 7.629 9.371 1.00 34.33 H new ATOM 0 HG21 ILE A 114 -23.548 7.748 10.495 1.00 64.23 H new ATOM 0 HG22 ILE A 114 -24.916 6.760 9.928 1.00 64.23 H new ATOM 0 HG23 ILE A 114 -23.543 5.987 10.756 1.00 64.23 H new ATOM 0 HD11 ILE A 114 -19.955 5.679 9.798 1.00 35.42 H new ATOM 0 HD12 ILE A 114 -21.473 5.563 10.720 1.00 35.42 H new ATOM 0 HD13 ILE A 114 -21.255 4.598 9.241 1.00 35.42 H new ATOM 1876 N PHE A 115 -25.479 5.851 6.814 1.00 55.52 N ATOM 1877 CA PHE A 115 -26.898 5.903 6.481 1.00 14.22 C ATOM 1878 C PHE A 115 -27.408 4.529 6.058 1.00 71.15 C ATOM 1879 O PHE A 115 -28.549 4.165 6.341 1.00 23.52 O ATOM 1880 CB PHE A 115 -27.145 6.918 5.363 1.00 12.21 C ATOM 1881 CG PHE A 115 -28.574 7.371 5.270 1.00 51.34 C ATOM 1882 CD1 PHE A 115 -29.128 8.168 6.259 1.00 73.42 C ATOM 1883 CD2 PHE A 115 -29.363 7.002 4.192 1.00 21.52 C ATOM 1884 CE1 PHE A 115 -30.443 8.585 6.175 1.00 12.24 C ATOM 1885 CE2 PHE A 115 -30.678 7.416 4.103 1.00 14.52 C ATOM 1886 CZ PHE A 115 -31.219 8.210 5.096 1.00 42.33 C ATOM 0 H PHE A 115 -24.874 6.343 6.157 1.00 55.52 H new ATOM 0 HA PHE A 115 -27.443 6.215 7.372 1.00 14.22 H new ATOM 0 HB2 PHE A 115 -26.507 7.787 5.524 1.00 12.21 H new ATOM 0 HB3 PHE A 115 -26.849 6.477 4.411 1.00 12.21 H new ATOM 0 HD1 PHE A 115 -28.526 8.466 7.104 1.00 73.42 H new ATOM 0 HD2 PHE A 115 -28.945 6.383 3.412 1.00 21.52 H new ATOM 0 HE1 PHE A 115 -30.864 9.204 6.953 1.00 12.24 H new ATOM 0 HE2 PHE A 115 -31.282 7.119 3.258 1.00 14.52 H new ATOM 0 HZ PHE A 115 -32.246 8.537 5.028 1.00 42.33 H new ATOM 1896 N GLU A 116 -26.554 3.772 5.376 1.00 21.42 N ATOM 1897 CA GLU A 116 -26.918 2.438 4.912 1.00 14.21 C ATOM 1898 C GLU A 116 -27.128 1.491 6.090 1.00 61.53 C ATOM 1899 O GLU A 116 -28.107 0.745 6.133 1.00 21.13 O ATOM 1900 CB GLU A 116 -25.836 1.884 3.983 1.00 32.33 C ATOM 1901 CG GLU A 116 -25.470 2.823 2.847 1.00 43.22 C ATOM 1902 CD GLU A 116 -26.614 3.038 1.875 1.00 22.50 C ATOM 1903 OE1 GLU A 116 -27.027 2.057 1.220 1.00 2.34 O ATOM 1904 OE2 GLU A 116 -27.096 4.184 1.769 1.00 41.42 O ATOM 0 H GLU A 116 -25.606 4.059 5.133 1.00 21.42 H new ATOM 0 HA GLU A 116 -27.855 2.516 4.360 1.00 14.21 H new ATOM 0 HB2 GLU A 116 -24.942 1.669 4.568 1.00 32.33 H new ATOM 0 HB3 GLU A 116 -26.178 0.937 3.565 1.00 32.33 H new ATOM 0 HG2 GLU A 116 -25.164 3.784 3.260 1.00 43.22 H new ATOM 0 HG3 GLU A 116 -24.612 2.419 2.309 1.00 43.22 H new ATOM 1911 N ILE A 117 -26.201 1.525 7.041 1.00 14.45 N ATOM 1912 CA ILE A 117 -26.284 0.671 8.219 1.00 33.33 C ATOM 1913 C ILE A 117 -27.508 1.013 9.062 1.00 11.51 C ATOM 1914 O ILE A 117 -28.191 0.127 9.575 1.00 32.44 O ATOM 1915 CB ILE A 117 -25.022 0.793 9.094 1.00 73.25 C ATOM 1916 CG1 ILE A 117 -24.651 -0.569 9.684 1.00 3.10 C ATOM 1917 CG2 ILE A 117 -25.241 1.814 10.200 1.00 50.13 C ATOM 1918 CD1 ILE A 117 -23.162 -0.834 9.701 1.00 64.21 C ATOM 0 H ILE A 117 -25.384 2.135 7.019 1.00 14.45 H new ATOM 0 HA ILE A 117 -26.369 -0.354 7.859 1.00 33.33 H new ATOM 0 HB ILE A 117 -24.196 1.135 8.470 1.00 73.25 H new ATOM 0 HG12 ILE A 117 -25.035 -0.632 10.702 1.00 3.10 H new ATOM 0 HG13 ILE A 117 -25.145 -1.352 9.109 1.00 3.10 H new ATOM 0 HG21 ILE A 117 -24.341 1.889 10.810 1.00 50.13 H new ATOM 0 HG22 ILE A 117 -25.463 2.786 9.759 1.00 50.13 H new ATOM 0 HG23 ILE A 117 -26.077 1.500 10.825 1.00 50.13 H new ATOM 0 HD11 ILE A 117 -22.972 -1.817 10.132 1.00 64.21 H new ATOM 0 HD12 ILE A 117 -22.775 -0.804 8.682 1.00 64.21 H new ATOM 0 HD13 ILE A 117 -22.664 -0.072 10.301 1.00 64.21 H new ATOM 1930 N THR A 118 -27.781 2.307 9.200 1.00 15.20 N ATOM 1931 CA THR A 118 -28.923 2.768 9.980 1.00 52.33 C ATOM 1932 C THR A 118 -30.237 2.398 9.302 1.00 54.33 C ATOM 1933 O THR A 118 -31.190 1.979 9.959 1.00 24.43 O ATOM 1934 CB THR A 118 -28.880 4.293 10.192 1.00 43.32 C ATOM 1935 OG1 THR A 118 -28.975 4.966 8.931 1.00 2.23 O ATOM 1936 CG2 THR A 118 -27.596 4.705 10.897 1.00 51.24 C ATOM 0 H THR A 118 -27.227 3.054 8.782 1.00 15.20 H new ATOM 0 HA THR A 118 -28.865 2.272 10.949 1.00 52.33 H new ATOM 0 HB THR A 118 -29.726 4.575 10.818 1.00 43.32 H new ATOM 0 HG1 THR A 118 -28.606 4.394 8.226 1.00 2.23 H new ATOM 0 HG21 THR A 118 -27.588 5.786 11.036 1.00 51.24 H new ATOM 0 HG22 THR A 118 -27.541 4.214 11.869 1.00 51.24 H new ATOM 0 HG23 THR A 118 -26.738 4.410 10.292 1.00 51.24 H new ATOM 1944 N SER A 119 -30.282 2.556 7.983 1.00 74.14 N ATOM 1945 CA SER A 119 -31.482 2.241 7.216 1.00 61.14 C ATOM 1946 C SER A 119 -31.749 0.739 7.217 1.00 32.15 C ATOM 1947 O SER A 119 -32.886 0.299 7.389 1.00 53.13 O ATOM 1948 CB SER A 119 -31.340 2.743 5.778 1.00 41.45 C ATOM 1949 OG SER A 119 -32.603 3.065 5.223 1.00 54.34 O ATOM 0 H SER A 119 -29.502 2.900 7.423 1.00 74.14 H new ATOM 0 HA SER A 119 -32.327 2.743 7.688 1.00 61.14 H new ATOM 0 HB2 SER A 119 -30.696 3.622 5.758 1.00 41.45 H new ATOM 0 HB3 SER A 119 -30.856 1.979 5.169 1.00 41.45 H new ATOM 0 HG SER A 119 -32.485 3.385 4.304 1.00 54.34 H new ATOM 1955 N PHE A 120 -30.693 -0.044 7.026 1.00 45.14 N ATOM 1956 CA PHE A 120 -30.812 -1.497 7.004 1.00 64.11 C ATOM 1957 C PHE A 120 -31.206 -2.031 8.378 1.00 64.21 C ATOM 1958 O PHE A 120 -32.037 -2.933 8.492 1.00 5.01 O ATOM 1959 CB PHE A 120 -29.493 -2.131 6.557 1.00 61.43 C ATOM 1960 CG PHE A 120 -29.651 -3.114 5.432 1.00 54.13 C ATOM 1961 CD1 PHE A 120 -29.736 -2.677 4.120 1.00 61.05 C ATOM 1962 CD2 PHE A 120 -29.717 -4.474 5.686 1.00 24.35 C ATOM 1963 CE1 PHE A 120 -29.881 -3.578 3.082 1.00 74.52 C ATOM 1964 CE2 PHE A 120 -29.862 -5.380 4.653 1.00 64.30 C ATOM 1965 CZ PHE A 120 -29.945 -4.932 3.349 1.00 14.12 C ATOM 0 H PHE A 120 -29.745 0.303 6.884 1.00 45.14 H new ATOM 0 HA PHE A 120 -31.594 -1.762 6.293 1.00 64.11 H new ATOM 0 HB2 PHE A 120 -28.807 -1.343 6.246 1.00 61.43 H new ATOM 0 HB3 PHE A 120 -29.035 -2.635 7.408 1.00 61.43 H new ATOM 0 HD1 PHE A 120 -29.688 -1.620 3.906 1.00 61.05 H new ATOM 0 HD2 PHE A 120 -29.654 -4.830 6.704 1.00 24.35 H new ATOM 0 HE1 PHE A 120 -29.944 -3.224 2.064 1.00 74.52 H new ATOM 0 HE2 PHE A 120 -29.910 -6.438 4.865 1.00 64.30 H new ATOM 0 HZ PHE A 120 -30.060 -5.638 2.540 1.00 14.12 H new ATOM 1975 N THR A 121 -30.602 -1.468 9.420 1.00 35.24 N ATOM 1976 CA THR A 121 -30.888 -1.888 10.787 1.00 42.43 C ATOM 1977 C THR A 121 -32.310 -1.516 11.190 1.00 32.40 C ATOM 1978 O THR A 121 -32.992 -2.284 11.869 1.00 51.23 O ATOM 1979 CB THR A 121 -29.901 -1.255 11.786 1.00 12.22 C ATOM 1980 OG1 THR A 121 -29.733 0.137 11.494 1.00 33.03 O ATOM 1981 CG2 THR A 121 -28.552 -1.956 11.732 1.00 12.23 C ATOM 0 H THR A 121 -29.912 -0.721 9.344 1.00 35.24 H new ATOM 0 HA THR A 121 -30.777 -2.972 10.815 1.00 42.43 H new ATOM 0 HB THR A 121 -30.312 -1.368 12.789 1.00 12.22 H new ATOM 0 HG1 THR A 121 -28.882 0.273 11.028 1.00 33.03 H new ATOM 0 HG21 THR A 121 -27.872 -1.492 12.446 1.00 12.23 H new ATOM 0 HG22 THR A 121 -28.679 -3.009 11.984 1.00 12.23 H new ATOM 0 HG23 THR A 121 -28.137 -1.870 10.728 1.00 12.23 H new ATOM 1989 N GLN A 122 -32.751 -0.336 10.767 1.00 33.04 N ATOM 1990 CA GLN A 122 -34.094 0.136 11.086 1.00 63.24 C ATOM 1991 C GLN A 122 -35.151 -0.750 10.435 1.00 63.15 C ATOM 1992 O GLN A 122 -36.080 -1.211 11.096 1.00 30.31 O ATOM 1993 CB GLN A 122 -34.271 1.584 10.625 1.00 22.32 C ATOM 1994 CG GLN A 122 -35.549 2.232 11.133 1.00 61.45 C ATOM 1995 CD GLN A 122 -35.726 3.649 10.625 1.00 72.12 C ATOM 1996 OE1 GLN A 122 -34.855 4.190 9.943 1.00 74.35 O ATOM 1997 NE2 GLN A 122 -36.858 4.259 10.955 1.00 12.34 N ATOM 0 H GLN A 122 -32.199 0.310 10.203 1.00 33.04 H new ATOM 0 HA GLN A 122 -34.222 0.088 12.167 1.00 63.24 H new ATOM 0 HB2 GLN A 122 -33.417 2.171 10.962 1.00 22.32 H new ATOM 0 HB3 GLN A 122 -34.267 1.613 9.535 1.00 22.32 H new ATOM 0 HG2 GLN A 122 -36.404 1.630 10.825 1.00 61.45 H new ATOM 0 HG3 GLN A 122 -35.540 2.239 12.223 1.00 61.45 H new ATOM 0 HE21 GLN A 122 -37.553 3.773 11.522 1.00 12.34 H new ATOM 0 HE22 GLN A 122 -37.033 5.214 10.641 1.00 12.34 H new ATOM 2006 N GLU A 123 -35.001 -0.983 9.134 1.00 14.02 N ATOM 2007 CA GLU A 123 -35.945 -1.813 8.394 1.00 2.13 C ATOM 2008 C GLU A 123 -35.994 -3.226 8.969 1.00 11.44 C ATOM 2009 O GLU A 123 -37.052 -3.854 9.013 1.00 62.30 O ATOM 2010 CB GLU A 123 -35.560 -1.866 6.914 1.00 23.23 C ATOM 2011 CG GLU A 123 -34.435 -2.843 6.613 1.00 53.43 C ATOM 2012 CD GLU A 123 -34.323 -3.165 5.135 1.00 10.32 C ATOM 2013 OE1 GLU A 123 -34.856 -2.388 4.316 1.00 43.42 O ATOM 2014 OE2 GLU A 123 -33.702 -4.195 4.799 1.00 42.32 O ATOM 0 H GLU A 123 -34.236 -0.609 8.572 1.00 14.02 H new ATOM 0 HA GLU A 123 -36.935 -1.366 8.489 1.00 2.13 H new ATOM 0 HB2 GLU A 123 -36.437 -2.143 6.329 1.00 23.23 H new ATOM 0 HB3 GLU A 123 -35.261 -0.869 6.589 1.00 23.23 H new ATOM 0 HG2 GLU A 123 -33.491 -2.424 6.962 1.00 53.43 H new ATOM 0 HG3 GLU A 123 -34.600 -3.765 7.171 1.00 53.43 H new ATOM 2021 N LYS A 124 -34.842 -3.719 9.409 1.00 23.35 N ATOM 2022 CA LYS A 124 -34.751 -5.057 9.983 1.00 41.21 C ATOM 2023 C LYS A 124 -35.254 -5.067 11.423 1.00 51.32 C ATOM 2024 O LYS A 124 -35.815 -6.060 11.889 1.00 44.24 O ATOM 2025 CB LYS A 124 -33.306 -5.559 9.933 1.00 50.52 C ATOM 2026 CG LYS A 124 -33.119 -6.789 9.062 1.00 33.13 C ATOM 2027 CD LYS A 124 -33.332 -6.469 7.592 1.00 22.50 C ATOM 2028 CE LYS A 124 -34.768 -6.733 7.166 1.00 11.24 C ATOM 2029 NZ LYS A 124 -34.840 -7.644 5.991 1.00 60.31 N ATOM 0 H LYS A 124 -33.957 -3.212 9.379 1.00 23.35 H new ATOM 0 HA LYS A 124 -35.381 -5.722 9.392 1.00 41.21 H new ATOM 0 HB2 LYS A 124 -32.665 -4.760 9.561 1.00 50.52 H new ATOM 0 HB3 LYS A 124 -32.974 -5.788 10.946 1.00 50.52 H new ATOM 0 HG2 LYS A 124 -32.115 -7.189 9.206 1.00 33.13 H new ATOM 0 HG3 LYS A 124 -33.819 -7.565 9.372 1.00 33.13 H new ATOM 0 HD2 LYS A 124 -33.083 -5.424 7.406 1.00 22.50 H new ATOM 0 HD3 LYS A 124 -32.655 -7.071 6.986 1.00 22.50 H new ATOM 0 HE2 LYS A 124 -35.319 -7.170 7.999 1.00 11.24 H new ATOM 0 HE3 LYS A 124 -35.254 -5.788 6.923 1.00 11.24 H new ATOM 0 HZ1 LYS A 124 -35.835 -7.799 5.732 1.00 60.31 H new ATOM 0 HZ2 LYS A 124 -34.336 -7.216 5.188 1.00 60.31 H new ATOM 0 HZ3 LYS A 124 -34.399 -8.555 6.230 1.00 60.31 H new ATOM 2043 N LEU A 125 -35.052 -3.956 12.123 1.00 41.01 N ATOM 2044 CA LEU A 125 -35.487 -3.836 13.510 1.00 22.23 C ATOM 2045 C LEU A 125 -37.005 -3.715 13.597 1.00 42.34 C ATOM 2046 O LEU A 125 -37.637 -4.317 14.464 1.00 34.11 O ATOM 2047 CB LEU A 125 -34.828 -2.623 14.169 1.00 53.32 C ATOM 2048 CG LEU A 125 -35.689 -1.854 15.172 1.00 21.22 C ATOM 2049 CD1 LEU A 125 -35.827 -2.638 16.468 1.00 61.51 C ATOM 2050 CD2 LEU A 125 -35.096 -0.479 15.440 1.00 41.41 C ATOM 0 H LEU A 125 -34.590 -3.126 11.753 1.00 41.01 H new ATOM 0 HA LEU A 125 -35.183 -4.739 14.039 1.00 22.23 H new ATOM 0 HB2 LEU A 125 -33.924 -2.958 14.678 1.00 53.32 H new ATOM 0 HB3 LEU A 125 -34.516 -1.933 13.385 1.00 53.32 H new ATOM 0 HG LEU A 125 -36.682 -1.722 14.743 1.00 21.22 H new ATOM 0 HD11 LEU A 125 -36.443 -2.075 17.170 1.00 61.51 H new ATOM 0 HD12 LEU A 125 -36.297 -3.600 16.263 1.00 61.51 H new ATOM 0 HD13 LEU A 125 -34.840 -2.801 16.901 1.00 61.51 H new ATOM 0 HD21 LEU A 125 -35.722 0.054 16.156 1.00 41.41 H new ATOM 0 HD22 LEU A 125 -34.091 -0.589 15.848 1.00 41.41 H new ATOM 0 HD23 LEU A 125 -35.049 0.085 14.508 1.00 41.41 H new ATOM 2062 N ASP A 126 -37.583 -2.934 12.691 1.00 41.14 N ATOM 2063 CA ASP A 126 -39.027 -2.736 12.662 1.00 54.20 C ATOM 2064 C ASP A 126 -39.741 -4.004 12.204 1.00 62.03 C ATOM 2065 O ASP A 126 -40.727 -4.425 12.808 1.00 42.05 O ATOM 2066 CB ASP A 126 -39.386 -1.572 11.737 1.00 2.41 C ATOM 2067 CG ASP A 126 -40.709 -1.782 11.028 1.00 13.41 C ATOM 2068 OD1 ASP A 126 -41.755 -1.779 11.711 1.00 43.50 O ATOM 2069 OD2 ASP A 126 -40.700 -1.950 9.791 1.00 63.05 O ATOM 0 H ASP A 126 -37.073 -2.428 11.967 1.00 41.14 H new ATOM 0 HA ASP A 126 -39.356 -2.500 13.674 1.00 54.20 H new ATOM 0 HB2 ASP A 126 -39.431 -0.651 12.318 1.00 2.41 H new ATOM 0 HB3 ASP A 126 -38.597 -1.444 10.996 1.00 2.41 H new ATOM 2074 N GLU A 127 -39.235 -4.607 11.132 1.00 55.21 N ATOM 2075 CA GLU A 127 -39.826 -5.826 10.592 1.00 14.32 C ATOM 2076 C GLU A 127 -39.828 -6.938 11.637 1.00 63.44 C ATOM 2077 O GLU A 127 -40.855 -7.569 11.887 1.00 12.43 O ATOM 2078 CB GLU A 127 -39.063 -6.281 9.347 1.00 61.11 C ATOM 2079 CG GLU A 127 -37.590 -6.555 9.602 1.00 34.31 C ATOM 2080 CD GLU A 127 -37.344 -7.942 10.164 1.00 11.13 C ATOM 2081 OE1 GLU A 127 -38.194 -8.830 9.947 1.00 61.51 O ATOM 2082 OE2 GLU A 127 -36.300 -8.138 10.822 1.00 54.12 O ATOM 0 H GLU A 127 -38.418 -4.272 10.621 1.00 55.21 H new ATOM 0 HA GLU A 127 -40.858 -5.608 10.316 1.00 14.32 H new ATOM 0 HB2 GLU A 127 -39.530 -7.185 8.955 1.00 61.11 H new ATOM 0 HB3 GLU A 127 -39.153 -5.516 8.576 1.00 61.11 H new ATOM 0 HG2 GLU A 127 -37.036 -6.441 8.670 1.00 34.31 H new ATOM 0 HG3 GLU A 127 -37.201 -5.811 10.297 1.00 34.31 H new ATOM 2089 N PHE A 128 -38.669 -7.175 12.242 1.00 4.42 N ATOM 2090 CA PHE A 128 -38.534 -8.212 13.258 1.00 14.13 C ATOM 2091 C PHE A 128 -39.474 -7.949 14.432 1.00 41.25 C ATOM 2092 O PHE A 128 -40.038 -8.878 15.008 1.00 71.20 O ATOM 2093 CB PHE A 128 -37.089 -8.286 13.754 1.00 1.45 C ATOM 2094 CG PHE A 128 -36.945 -8.015 15.225 1.00 73.11 C ATOM 2095 CD1 PHE A 128 -37.215 -9.006 16.155 1.00 75.12 C ATOM 2096 CD2 PHE A 128 -36.541 -6.769 15.677 1.00 23.53 C ATOM 2097 CE1 PHE A 128 -37.084 -8.761 17.509 1.00 50.43 C ATOM 2098 CE2 PHE A 128 -36.407 -6.518 17.030 1.00 71.32 C ATOM 2099 CZ PHE A 128 -36.680 -7.515 17.947 1.00 52.34 C ATOM 0 H PHE A 128 -37.809 -6.663 12.046 1.00 4.42 H new ATOM 0 HA PHE A 128 -38.804 -9.166 12.805 1.00 14.13 H new ATOM 0 HB2 PHE A 128 -36.688 -9.275 13.534 1.00 1.45 H new ATOM 0 HB3 PHE A 128 -36.486 -7.567 13.200 1.00 1.45 H new ATOM 0 HD1 PHE A 128 -37.532 -9.982 15.818 1.00 75.12 H new ATOM 0 HD2 PHE A 128 -36.328 -5.985 14.965 1.00 23.53 H new ATOM 0 HE1 PHE A 128 -37.297 -9.543 18.223 1.00 50.43 H new ATOM 0 HE2 PHE A 128 -36.089 -5.543 17.370 1.00 71.32 H new ATOM 0 HZ PHE A 128 -36.578 -7.320 19.004 1.00 52.34 H new