USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 41 ASN : amide:sc= 1.02 K(o=1.3,f=0.65) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.252 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.203 X(o=-0.059,f=0.047) USER MOD Set 2.2: A 39 THR OG1 : rot -110:sc= 0.144 USER MOD Set 3.1: A 16 SER OG : rot 140:sc= 0.191 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 11:sc= 0.569 USER MOD Single : A 27 SER OG : rot -21:sc= 0.0818 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 121:sc= 0.852 USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 37 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.36) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00547 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 84 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 89 ASN : amide:sc= 0.334! X(o=0.33!,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 6.588 -10.090 -9.307 1.00 0.00 N ATOM 76 CA VAL A 6 6.094 -10.596 -10.602 1.00 0.00 C ATOM 77 C VAL A 6 7.137 -10.457 -11.730 1.00 0.00 C ATOM 78 O VAL A 6 7.455 -11.481 -12.345 1.00 0.00 O ATOM 79 CB VAL A 6 4.726 -9.962 -10.943 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.292 -10.179 -12.399 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.636 -10.562 -10.049 1.00 0.00 C ATOM 0 HA VAL A 6 5.934 -11.670 -10.508 1.00 0.00 H new ATOM 0 HB VAL A 6 4.850 -8.892 -10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.324 -9.707 -12.564 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.030 -9.737 -13.068 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.213 -11.247 -12.600 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.675 -10.111 -10.295 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.584 -11.639 -10.212 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.873 -10.364 -9.004 1.00 0.00 H new ATOM 91 N PRO A 7 7.697 -9.262 -12.029 1.00 0.00 N ATOM 92 CA PRO A 7 8.737 -9.119 -13.050 1.00 0.00 C ATOM 93 C PRO A 7 10.135 -9.509 -12.530 1.00 0.00 C ATOM 94 O PRO A 7 10.364 -9.678 -11.329 1.00 0.00 O ATOM 95 CB PRO A 7 8.686 -7.647 -13.465 1.00 0.00 C ATOM 96 CG PRO A 7 8.338 -6.962 -12.145 1.00 0.00 C ATOM 97 CD PRO A 7 7.356 -7.944 -11.501 1.00 0.00 C ATOM 0 HA PRO A 7 8.558 -9.791 -13.889 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.639 -7.302 -13.866 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.933 -7.464 -14.232 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.221 -6.808 -11.525 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.885 -5.983 -12.304 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.442 -7.925 -10.415 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.326 -7.681 -11.744 1.00 0.00 H new ATOM 105 N GLY A 8 11.083 -9.611 -13.465 1.00 0.00 N ATOM 106 CA GLY A 8 12.507 -9.874 -13.201 1.00 0.00 C ATOM 107 C GLY A 8 13.168 -10.760 -14.265 1.00 0.00 C ATOM 108 O GLY A 8 12.540 -11.687 -14.780 1.00 0.00 O ATOM 0 H GLY A 8 10.878 -9.510 -14.459 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.040 -8.925 -13.146 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.606 -10.353 -12.227 1.00 0.00 H new ATOM 112 N LEU A 9 14.435 -10.472 -14.602 1.00 0.00 N ATOM 113 CA LEU A 9 15.240 -11.263 -15.554 1.00 0.00 C ATOM 114 C LEU A 9 16.732 -11.377 -15.167 1.00 0.00 C ATOM 115 O LEU A 9 17.606 -11.417 -16.033 1.00 0.00 O ATOM 116 CB LEU A 9 14.942 -10.833 -17.015 1.00 0.00 C ATOM 117 CG LEU A 9 15.105 -9.351 -17.415 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.553 -8.892 -17.567 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.420 -9.100 -18.758 1.00 0.00 C ATOM 0 H LEU A 9 14.938 -9.673 -14.217 1.00 0.00 H new ATOM 0 HA LEU A 9 14.919 -12.303 -15.489 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.587 -11.421 -17.668 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.915 -11.121 -17.238 1.00 0.00 H new ATOM 0 HG LEU A 9 14.656 -8.788 -16.597 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.573 -7.839 -17.849 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.078 -9.024 -16.621 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.043 -9.484 -18.340 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.538 -8.053 -19.036 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.874 -9.732 -19.522 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.359 -9.336 -18.675 1.00 0.00 H new ATOM 131 N LEU A 10 17.026 -11.457 -13.857 1.00 0.00 N ATOM 132 CA LEU A 10 18.391 -11.686 -13.351 1.00 0.00 C ATOM 133 C LEU A 10 18.916 -13.038 -13.848 1.00 0.00 C ATOM 134 O LEU A 10 18.500 -14.089 -13.353 1.00 0.00 O ATOM 135 CB LEU A 10 18.435 -11.645 -11.807 1.00 0.00 C ATOM 136 CG LEU A 10 18.463 -10.226 -11.217 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.808 -10.190 -9.837 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.894 -9.716 -11.047 1.00 0.00 C ATOM 0 H LEU A 10 16.326 -11.365 -13.121 1.00 0.00 H new ATOM 0 HA LEU A 10 19.026 -10.886 -13.730 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.565 -12.173 -11.415 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.317 -12.187 -11.465 1.00 0.00 H new ATOM 0 HG LEU A 10 17.918 -9.595 -11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.842 -9.174 -9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.770 -10.513 -9.918 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.344 -10.858 -9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.874 -8.710 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.439 -10.379 -10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.390 -9.695 -12.017 1.00 0.00 H new ATOM 150 N THR A 11 19.879 -13.004 -14.767 1.00 0.00 N ATOM 151 CA THR A 11 20.561 -14.198 -15.274 1.00 0.00 C ATOM 152 C THR A 11 22.010 -14.234 -14.798 1.00 0.00 C ATOM 153 O THR A 11 22.709 -13.219 -14.768 1.00 0.00 O ATOM 154 CB THR A 11 20.455 -14.305 -16.805 1.00 0.00 C ATOM 155 OG1 THR A 11 19.095 -14.477 -17.164 1.00 0.00 O ATOM 156 CG2 THR A 11 21.219 -15.502 -17.374 1.00 0.00 C ATOM 0 H THR A 11 20.213 -12.137 -15.187 1.00 0.00 H new ATOM 0 HA THR A 11 20.057 -15.073 -14.865 1.00 0.00 H new ATOM 0 HB THR A 11 20.885 -13.389 -17.211 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.020 -14.544 -18.139 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.106 -15.524 -18.458 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.275 -15.413 -17.121 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.820 -16.423 -16.949 1.00 0.00 H new ATOM 164 N ASP A 12 22.463 -15.429 -14.432 1.00 0.00 N ATOM 165 CA ASP A 12 23.849 -15.781 -14.138 1.00 0.00 C ATOM 166 C ASP A 12 24.716 -15.813 -15.416 1.00 0.00 C ATOM 167 O ASP A 12 25.318 -16.832 -15.766 1.00 0.00 O ATOM 168 CB ASP A 12 23.882 -17.098 -13.338 1.00 0.00 C ATOM 169 CG ASP A 12 23.298 -18.315 -14.088 1.00 0.00 C ATOM 170 OD1 ASP A 12 22.133 -18.249 -14.555 1.00 0.00 O ATOM 171 OD2 ASP A 12 23.973 -19.372 -14.154 1.00 0.00 O ATOM 0 H ASP A 12 21.835 -16.226 -14.326 1.00 0.00 H new ATOM 0 HA ASP A 12 24.297 -15.006 -13.515 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.914 -17.317 -13.064 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.328 -16.959 -12.410 1.00 0.00 H new ATOM 176 N HIS A 13 24.813 -14.676 -16.119 1.00 0.00 N ATOM 177 CA HIS A 13 25.736 -14.466 -17.245 1.00 0.00 C ATOM 178 C HIS A 13 27.164 -14.197 -16.724 1.00 0.00 C ATOM 179 O HIS A 13 27.859 -13.276 -17.158 1.00 0.00 O ATOM 180 CB HIS A 13 25.195 -13.373 -18.194 1.00 0.00 C ATOM 181 CG HIS A 13 24.028 -13.782 -19.065 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.882 -13.012 -19.293 1.00 0.00 N ATOM 183 CD2 HIS A 13 23.968 -14.901 -19.844 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.158 -13.687 -20.203 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.784 -14.827 -20.547 1.00 0.00 N ATOM 0 H HIS A 13 24.239 -13.857 -15.916 1.00 0.00 H new ATOM 0 HA HIS A 13 25.800 -15.373 -17.845 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.894 -12.513 -17.595 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.009 -13.043 -18.840 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.704 -15.690 -19.899 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.209 -13.360 -20.601 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.441 -15.519 -21.214 1.00 0.00 H new ATOM 193 N THR A 14 27.591 -14.997 -15.743 1.00 0.00 N ATOM 194 CA THR A 14 28.834 -14.832 -14.990 1.00 0.00 C ATOM 195 C THR A 14 29.606 -16.154 -14.855 1.00 0.00 C ATOM 196 O THR A 14 29.014 -17.195 -14.564 1.00 0.00 O ATOM 197 CB THR A 14 28.584 -14.181 -13.615 1.00 0.00 C ATOM 198 OG1 THR A 14 27.700 -14.949 -12.834 1.00 0.00 O ATOM 199 CG2 THR A 14 27.959 -12.787 -13.687 1.00 0.00 C ATOM 0 H THR A 14 27.056 -15.811 -15.440 1.00 0.00 H new ATOM 0 HA THR A 14 29.463 -14.152 -15.564 1.00 0.00 H new ATOM 0 HB THR A 14 29.580 -14.117 -13.177 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.563 -14.511 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.816 -12.400 -12.678 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.620 -12.120 -14.241 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.995 -12.846 -14.193 1.00 0.00 H new ATOM 207 N VAL A 15 30.928 -16.133 -15.101 1.00 0.00 N ATOM 208 CA VAL A 15 31.786 -17.344 -15.220 1.00 0.00 C ATOM 209 C VAL A 15 33.123 -17.240 -14.455 1.00 0.00 C ATOM 210 O VAL A 15 34.152 -17.782 -14.869 1.00 0.00 O ATOM 211 CB VAL A 15 31.982 -17.775 -16.695 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.639 -18.181 -17.308 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.614 -16.713 -17.603 1.00 0.00 C ATOM 0 H VAL A 15 31.447 -15.264 -15.226 1.00 0.00 H new ATOM 0 HA VAL A 15 31.235 -18.141 -14.721 1.00 0.00 H new ATOM 0 HB VAL A 15 32.682 -18.609 -16.647 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.788 -18.482 -18.345 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.219 -19.015 -16.745 1.00 0.00 H new ATOM 0 HG13 VAL A 15 29.952 -17.336 -17.271 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.710 -17.109 -18.614 1.00 0.00 H new ATOM 0 HG22 VAL A 15 31.982 -15.825 -17.619 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.600 -16.449 -17.222 1.00 0.00 H new ATOM 223 N SER A 16 33.089 -16.571 -13.299 1.00 0.00 N ATOM 224 CA SER A 16 34.254 -16.278 -12.438 1.00 0.00 C ATOM 225 C SER A 16 34.041 -16.788 -11.008 1.00 0.00 C ATOM 226 O SER A 16 32.910 -16.820 -10.535 1.00 0.00 O ATOM 227 CB SER A 16 34.520 -14.768 -12.471 1.00 0.00 C ATOM 228 OG SER A 16 35.191 -14.331 -11.301 1.00 0.00 O ATOM 0 H SER A 16 32.219 -16.201 -12.916 1.00 0.00 H new ATOM 0 HA SER A 16 35.129 -16.805 -12.819 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.119 -14.523 -13.348 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.575 -14.234 -12.571 1.00 0.00 H new ATOM 0 HG SER A 16 35.870 -13.666 -11.542 1.00 0.00 H new ATOM 234 N SER A 17 35.109 -17.124 -10.278 1.00 0.00 N ATOM 235 CA SER A 17 35.030 -17.558 -8.871 1.00 0.00 C ATOM 236 C SER A 17 34.384 -16.508 -7.948 1.00 0.00 C ATOM 237 O SER A 17 33.610 -16.859 -7.057 1.00 0.00 O ATOM 238 CB SER A 17 36.431 -17.911 -8.359 1.00 0.00 C ATOM 239 OG SER A 17 37.316 -16.810 -8.521 1.00 0.00 O ATOM 0 H SER A 17 36.061 -17.104 -10.645 1.00 0.00 H new ATOM 0 HA SER A 17 34.385 -18.436 -8.846 1.00 0.00 H new ATOM 0 HB2 SER A 17 36.379 -18.191 -7.307 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.815 -18.776 -8.901 1.00 0.00 H new ATOM 0 HG SER A 17 38.205 -17.053 -8.187 1.00 0.00 H new ATOM 245 N ILE A 18 34.641 -15.218 -8.207 1.00 0.00 N ATOM 246 CA ILE A 18 33.981 -14.070 -7.556 1.00 0.00 C ATOM 247 C ILE A 18 32.743 -13.609 -8.334 1.00 0.00 C ATOM 248 O ILE A 18 31.711 -13.336 -7.730 1.00 0.00 O ATOM 249 CB ILE A 18 34.963 -12.894 -7.306 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.055 -12.813 -8.393 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.576 -13.008 -5.901 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.825 -11.505 -8.486 1.00 0.00 C ATOM 0 H ILE A 18 35.336 -14.932 -8.897 1.00 0.00 H new ATOM 0 HA ILE A 18 33.643 -14.417 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 18 34.397 -11.964 -7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.769 -13.618 -8.219 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.589 -13.004 -9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.263 -12.178 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.783 -12.976 -5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.117 -13.950 -5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.562 -11.573 -9.286 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.133 -10.690 -8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.332 -11.313 -7.540 1.00 0.00 H new ATOM 264 N GLY A 19 32.781 -13.554 -9.670 1.00 0.00 N ATOM 265 CA GLY A 19 31.640 -13.058 -10.458 1.00 0.00 C ATOM 266 C GLY A 19 30.405 -13.970 -10.419 1.00 0.00 C ATOM 267 O GLY A 19 29.277 -13.482 -10.475 1.00 0.00 O ATOM 0 H GLY A 19 33.584 -13.844 -10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.361 -12.071 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.955 -12.935 -11.494 1.00 0.00 H new ATOM 271 N HIS A 20 30.591 -15.282 -10.242 1.00 0.00 N ATOM 272 CA HIS A 20 29.497 -16.233 -9.986 1.00 0.00 C ATOM 273 C HIS A 20 28.872 -16.007 -8.601 1.00 0.00 C ATOM 274 O HIS A 20 27.652 -16.065 -8.454 1.00 0.00 O ATOM 275 CB HIS A 20 30.006 -17.675 -10.114 1.00 0.00 C ATOM 276 CG HIS A 20 28.925 -18.711 -9.916 1.00 0.00 C ATOM 277 ND1 HIS A 20 27.951 -19.061 -10.857 1.00 0.00 N ATOM 278 CD2 HIS A 20 28.738 -19.458 -8.789 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.200 -20.011 -10.274 1.00 0.00 C ATOM 280 NE2 HIS A 20 27.653 -20.271 -9.034 1.00 0.00 N ATOM 0 H HIS A 20 31.511 -15.720 -10.272 1.00 0.00 H new ATOM 0 HA HIS A 20 28.722 -16.063 -10.733 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.452 -17.809 -11.100 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.796 -17.840 -9.382 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.325 -19.419 -7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.353 -20.497 -10.735 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.260 -20.954 -8.386 1.00 0.00 H new ATOM 288 N ASP A 21 29.686 -15.676 -7.592 1.00 0.00 N ATOM 289 CA ASP A 21 29.191 -15.371 -6.250 1.00 0.00 C ATOM 290 C ASP A 21 28.478 -14.013 -6.220 1.00 0.00 C ATOM 291 O ASP A 21 27.466 -13.889 -5.531 1.00 0.00 O ATOM 292 CB ASP A 21 30.336 -15.430 -5.224 1.00 0.00 C ATOM 293 CG ASP A 21 30.765 -16.856 -4.814 1.00 0.00 C ATOM 294 OD1 ASP A 21 30.169 -17.863 -5.271 1.00 0.00 O ATOM 295 OD2 ASP A 21 31.686 -16.972 -3.969 1.00 0.00 O ATOM 0 H ASP A 21 30.700 -15.613 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 21 28.457 -16.129 -5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.201 -14.910 -5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.032 -14.886 -4.330 1.00 0.00 H new ATOM 300 N PHE A 22 28.932 -13.012 -6.996 1.00 0.00 N ATOM 301 CA PHE A 22 28.248 -11.716 -7.106 1.00 0.00 C ATOM 302 C PHE A 22 26.799 -11.888 -7.548 1.00 0.00 C ATOM 303 O PHE A 22 25.924 -11.267 -6.962 1.00 0.00 O ATOM 304 CB PHE A 22 28.984 -10.788 -8.082 1.00 0.00 C ATOM 305 CG PHE A 22 28.388 -9.388 -8.164 1.00 0.00 C ATOM 306 CD1 PHE A 22 27.286 -9.151 -9.005 1.00 0.00 C ATOM 307 CD2 PHE A 22 28.899 -8.328 -7.390 1.00 0.00 C ATOM 308 CE1 PHE A 22 26.701 -7.877 -9.084 1.00 0.00 C ATOM 309 CE2 PHE A 22 28.336 -7.042 -7.487 1.00 0.00 C ATOM 310 CZ PHE A 22 27.239 -6.818 -8.336 1.00 0.00 C ATOM 0 H PHE A 22 29.779 -13.080 -7.561 1.00 0.00 H new ATOM 0 HA PHE A 22 28.254 -11.262 -6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.028 -10.711 -7.779 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.972 -11.237 -9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.884 -9.960 -9.598 1.00 0.00 H new ATOM 0 HD2 PHE A 22 29.727 -8.503 -6.719 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.842 -7.713 -9.717 1.00 0.00 H new ATOM 0 HE2 PHE A 22 28.747 -6.227 -6.909 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.809 -5.830 -8.413 1.00 0.00 H new ATOM 320 N TYR A 23 26.528 -12.755 -8.532 1.00 0.00 N ATOM 321 CA TYR A 23 25.159 -13.043 -8.976 1.00 0.00 C ATOM 322 C TYR A 23 24.256 -13.462 -7.804 1.00 0.00 C ATOM 323 O TYR A 23 23.222 -12.835 -7.564 1.00 0.00 O ATOM 324 CB TYR A 23 25.165 -14.121 -10.073 1.00 0.00 C ATOM 325 CG TYR A 23 23.769 -14.572 -10.452 1.00 0.00 C ATOM 326 CD1 TYR A 23 22.969 -13.767 -11.282 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.244 -15.758 -9.907 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.632 -14.126 -11.538 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.914 -16.132 -10.174 1.00 0.00 C ATOM 330 CZ TYR A 23 21.100 -15.316 -10.990 1.00 0.00 C ATOM 331 OH TYR A 23 19.817 -15.696 -11.247 1.00 0.00 O ATOM 0 H TYR A 23 27.246 -13.273 -9.039 1.00 0.00 H new ATOM 0 HA TYR A 23 24.746 -12.124 -9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.670 -13.732 -10.957 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.740 -14.981 -9.730 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.381 -12.872 -11.724 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.864 -16.383 -9.282 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.012 -13.492 -12.154 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.515 -17.044 -9.755 1.00 0.00 H new ATOM 0 HH TYR A 23 19.447 -15.136 -11.961 1.00 0.00 H new ATOM 341 N ARG A 24 24.684 -14.479 -7.039 1.00 0.00 N ATOM 342 CA ARG A 24 23.907 -15.048 -5.924 1.00 0.00 C ATOM 343 C ARG A 24 23.772 -14.061 -4.763 1.00 0.00 C ATOM 344 O ARG A 24 22.683 -13.865 -4.229 1.00 0.00 O ATOM 345 CB ARG A 24 24.539 -16.367 -5.441 1.00 0.00 C ATOM 346 CG ARG A 24 24.720 -17.390 -6.577 1.00 0.00 C ATOM 347 CD ARG A 24 25.015 -18.803 -6.056 1.00 0.00 C ATOM 348 NE ARG A 24 23.828 -19.413 -5.418 1.00 0.00 N ATOM 349 CZ ARG A 24 23.784 -20.552 -4.746 1.00 0.00 C ATOM 350 NH1 ARG A 24 24.844 -21.287 -4.556 1.00 0.00 N ATOM 351 NH2 ARG A 24 22.660 -20.980 -4.249 1.00 0.00 N ATOM 0 H ARG A 24 25.586 -14.934 -7.177 1.00 0.00 H new ATOM 0 HA ARG A 24 22.904 -15.255 -6.297 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.508 -16.157 -4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.912 -16.802 -4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.817 -17.413 -7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.535 -17.068 -7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.348 -19.432 -6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 24 25.833 -18.762 -5.337 1.00 0.00 H new ATOM 0 HE ARG A 24 22.950 -18.901 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 24 25.745 -20.989 -4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.772 -22.160 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.806 -20.437 -4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.633 -21.859 -3.732 1.00 0.00 H new ATOM 365 N ALA A 25 24.871 -13.397 -4.405 1.00 0.00 N ATOM 366 CA ALA A 25 24.901 -12.410 -3.331 1.00 0.00 C ATOM 367 C ALA A 25 24.062 -11.169 -3.667 1.00 0.00 C ATOM 368 O ALA A 25 23.299 -10.706 -2.826 1.00 0.00 O ATOM 369 CB ALA A 25 26.362 -12.049 -3.048 1.00 0.00 C ATOM 0 H ALA A 25 25.774 -13.532 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 25 24.451 -12.838 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.406 -11.311 -2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.906 -12.944 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.815 -11.634 -3.948 1.00 0.00 H new ATOM 375 N PHE A 26 24.143 -10.649 -4.895 1.00 0.00 N ATOM 376 CA PHE A 26 23.328 -9.521 -5.341 1.00 0.00 C ATOM 377 C PHE A 26 21.839 -9.880 -5.279 1.00 0.00 C ATOM 378 O PHE A 26 21.067 -9.167 -4.642 1.00 0.00 O ATOM 379 CB PHE A 26 23.772 -9.088 -6.751 1.00 0.00 C ATOM 380 CG PHE A 26 22.986 -7.940 -7.369 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.680 -8.151 -7.855 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.566 -6.661 -7.491 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.951 -7.093 -8.422 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.846 -5.607 -8.086 1.00 0.00 C ATOM 385 CZ PHE A 26 21.534 -5.822 -8.544 1.00 0.00 C ATOM 0 H PHE A 26 24.780 -11.002 -5.609 1.00 0.00 H new ATOM 0 HA PHE A 26 23.475 -8.672 -4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.823 -8.803 -6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.702 -9.950 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.237 -9.134 -7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.568 -6.488 -7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.940 -7.258 -8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.302 -4.633 -8.191 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.976 -5.011 -8.989 1.00 0.00 H new ATOM 395 N SER A 27 21.430 -11.004 -5.875 1.00 0.00 N ATOM 396 CA SER A 27 20.015 -11.403 -5.934 1.00 0.00 C ATOM 397 C SER A 27 19.422 -11.730 -4.552 1.00 0.00 C ATOM 398 O SER A 27 18.235 -11.487 -4.324 1.00 0.00 O ATOM 399 CB SER A 27 19.803 -12.571 -6.904 1.00 0.00 C ATOM 400 OG SER A 27 20.375 -13.772 -6.414 1.00 0.00 O ATOM 0 H SER A 27 22.064 -11.662 -6.329 1.00 0.00 H new ATOM 0 HA SER A 27 19.474 -10.535 -6.311 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.736 -12.718 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.244 -12.326 -7.870 1.00 0.00 H new ATOM 0 HG SER A 27 21.065 -13.559 -5.752 1.00 0.00 H new ATOM 406 N ASP A 28 20.243 -12.192 -3.600 1.00 0.00 N ATOM 407 CA ASP A 28 19.850 -12.431 -2.208 1.00 0.00 C ATOM 408 C ASP A 28 19.444 -11.146 -1.456 1.00 0.00 C ATOM 409 O ASP A 28 18.560 -11.212 -0.596 1.00 0.00 O ATOM 410 CB ASP A 28 21.000 -13.128 -1.454 1.00 0.00 C ATOM 411 CG ASP A 28 21.024 -14.667 -1.571 1.00 0.00 C ATOM 412 OD1 ASP A 28 19.978 -15.299 -1.861 1.00 0.00 O ATOM 413 OD2 ASP A 28 22.089 -15.267 -1.280 1.00 0.00 O ATOM 0 H ASP A 28 21.222 -12.415 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 28 18.967 -13.070 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.947 -12.736 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.936 -12.861 -0.399 1.00 0.00 H new ATOM 418 N LYS A 29 20.055 -9.988 -1.770 1.00 0.00 N ATOM 419 CA LYS A 29 19.718 -8.676 -1.165 1.00 0.00 C ATOM 420 C LYS A 29 19.053 -7.665 -2.119 1.00 0.00 C ATOM 421 O LYS A 29 18.730 -6.551 -1.702 1.00 0.00 O ATOM 422 CB LYS A 29 20.878 -8.075 -0.332 1.00 0.00 C ATOM 423 CG LYS A 29 22.323 -8.503 -0.657 1.00 0.00 C ATOM 424 CD LYS A 29 22.794 -9.812 0.008 1.00 0.00 C ATOM 425 CE LYS A 29 22.823 -9.718 1.545 1.00 0.00 C ATOM 426 NZ LYS A 29 23.339 -10.969 2.175 1.00 0.00 N ATOM 0 H LYS A 29 20.806 -9.932 -2.458 1.00 0.00 H new ATOM 0 HA LYS A 29 18.926 -8.908 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.825 -6.990 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.691 -8.313 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.417 -8.611 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.997 -7.701 -0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.132 -10.625 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.791 -10.062 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.449 -8.877 1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.818 -9.515 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.341 -10.861 3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.728 -11.768 1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.308 -11.150 1.844 1.00 0.00 H new ATOM 440 N TRP A 30 18.801 -8.040 -3.373 1.00 0.00 N ATOM 441 CA TRP A 30 18.138 -7.187 -4.368 1.00 0.00 C ATOM 442 C TRP A 30 16.719 -6.774 -3.935 1.00 0.00 C ATOM 443 O TRP A 30 15.905 -7.603 -3.521 1.00 0.00 O ATOM 444 CB TRP A 30 18.134 -7.870 -5.741 1.00 0.00 C ATOM 445 CG TRP A 30 17.492 -7.069 -6.833 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.448 -7.469 -7.592 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.811 -5.713 -7.280 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.093 -6.458 -8.464 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.896 -5.348 -8.310 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.776 -4.752 -6.911 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.929 -4.093 -8.938 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.806 -3.485 -7.520 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.890 -3.149 -8.531 1.00 0.00 C ATOM 0 H TRP A 30 19.055 -8.959 -3.735 1.00 0.00 H new ATOM 0 HA TRP A 30 18.713 -6.264 -4.445 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.163 -8.090 -6.026 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.616 -8.825 -5.656 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.965 -8.433 -7.527 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.331 -6.525 -9.139 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.503 -4.993 -6.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.226 -3.855 -9.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.543 -2.760 -7.206 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.923 -2.173 -8.993 1.00 0.00 H new ATOM 464 N GLU A 31 16.435 -5.474 -4.042 1.00 0.00 N ATOM 465 CA GLU A 31 15.152 -4.839 -3.719 1.00 0.00 C ATOM 466 C GLU A 31 14.988 -3.569 -4.577 1.00 0.00 C ATOM 467 O GLU A 31 15.955 -2.829 -4.785 1.00 0.00 O ATOM 468 CB GLU A 31 15.102 -4.513 -2.214 1.00 0.00 C ATOM 469 CG GLU A 31 13.737 -3.972 -1.771 1.00 0.00 C ATOM 470 CD GLU A 31 13.694 -3.782 -0.243 1.00 0.00 C ATOM 471 OE1 GLU A 31 14.091 -2.698 0.251 1.00 0.00 O ATOM 472 OE2 GLU A 31 13.256 -4.711 0.479 1.00 0.00 O ATOM 0 H GLU A 31 17.127 -4.801 -4.372 1.00 0.00 H new ATOM 0 HA GLU A 31 14.327 -5.515 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.334 -5.412 -1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.873 -3.779 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.540 -3.021 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.950 -4.661 -2.079 1.00 0.00 H new ATOM 479 N SER A 32 13.781 -3.333 -5.102 1.00 0.00 N ATOM 480 CA SER A 32 13.531 -2.336 -6.154 1.00 0.00 C ATOM 481 C SER A 32 12.125 -1.721 -6.094 1.00 0.00 C ATOM 482 O SER A 32 11.176 -2.340 -5.604 1.00 0.00 O ATOM 483 CB SER A 32 13.756 -3.008 -7.505 1.00 0.00 C ATOM 484 OG SER A 32 13.476 -2.095 -8.544 1.00 0.00 O ATOM 0 H SER A 32 12.941 -3.832 -4.808 1.00 0.00 H new ATOM 0 HA SER A 32 14.222 -1.507 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.786 -3.356 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.116 -3.885 -7.597 1.00 0.00 H new ATOM 0 HG SER A 32 14.277 -1.971 -9.095 1.00 0.00 H new ATOM 490 N ASP A 33 11.997 -0.499 -6.625 1.00 0.00 N ATOM 491 CA ASP A 33 10.727 0.221 -6.814 1.00 0.00 C ATOM 492 C ASP A 33 10.297 0.346 -8.297 1.00 0.00 C ATOM 493 O ASP A 33 9.174 0.774 -8.576 1.00 0.00 O ATOM 494 CB ASP A 33 10.837 1.593 -6.132 1.00 0.00 C ATOM 495 CG ASP A 33 9.466 2.276 -5.962 1.00 0.00 C ATOM 496 OD1 ASP A 33 9.282 3.412 -6.461 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.582 1.700 -5.280 1.00 0.00 O ATOM 0 H ASP A 33 12.803 0.037 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 33 9.934 -0.364 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.304 1.473 -5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.490 2.237 -6.721 1.00 0.00 H new ATOM 502 N TYR A 34 11.158 -0.043 -9.253 1.00 0.00 N ATOM 503 CA TYR A 34 10.849 -0.094 -10.688 1.00 0.00 C ATOM 504 C TYR A 34 10.531 -1.535 -11.148 1.00 0.00 C ATOM 505 O TYR A 34 10.370 -2.451 -10.336 1.00 0.00 O ATOM 506 CB TYR A 34 11.975 0.603 -11.486 1.00 0.00 C ATOM 507 CG TYR A 34 13.193 -0.238 -11.827 1.00 0.00 C ATOM 508 CD1 TYR A 34 14.160 -0.486 -10.842 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.364 -0.778 -13.119 1.00 0.00 C ATOM 510 CE1 TYR A 34 15.230 -1.362 -11.098 1.00 0.00 C ATOM 511 CE2 TYR A 34 14.447 -1.639 -13.387 1.00 0.00 C ATOM 512 CZ TYR A 34 15.371 -1.949 -12.371 1.00 0.00 C ATOM 513 OH TYR A 34 16.395 -2.803 -12.626 1.00 0.00 O ATOM 0 H TYR A 34 12.111 -0.338 -9.041 1.00 0.00 H new ATOM 0 HA TYR A 34 9.935 0.463 -10.892 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.550 0.978 -12.417 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.309 1.470 -10.916 1.00 0.00 H new ATOM 0 HD1 TYR A 34 14.082 -0.001 -9.880 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.664 -0.531 -13.904 1.00 0.00 H new ATOM 0 HE1 TYR A 34 15.944 -1.585 -10.319 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.568 -2.062 -14.373 1.00 0.00 H new ATOM 0 HH TYR A 34 16.216 -3.289 -13.458 1.00 0.00 H new ATOM 523 N THR A 35 10.437 -1.756 -12.463 1.00 0.00 N ATOM 524 CA THR A 35 10.067 -3.039 -13.095 1.00 0.00 C ATOM 525 C THR A 35 11.126 -4.144 -12.929 1.00 0.00 C ATOM 526 O THR A 35 10.863 -5.293 -13.264 1.00 0.00 O ATOM 527 CB THR A 35 9.748 -2.823 -14.593 1.00 0.00 C ATOM 528 OG1 THR A 35 9.316 -1.495 -14.846 1.00 0.00 O ATOM 529 CG2 THR A 35 8.633 -3.749 -15.084 1.00 0.00 C ATOM 0 H THR A 35 10.622 -1.023 -13.147 1.00 0.00 H new ATOM 0 HA THR A 35 9.179 -3.391 -12.570 1.00 0.00 H new ATOM 0 HB THR A 35 10.677 -3.038 -15.121 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.124 -1.390 -15.801 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.443 -3.562 -16.141 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.936 -4.787 -14.948 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.724 -3.559 -14.513 1.00 0.00 H new ATOM 537 N GLY A 36 12.327 -3.845 -12.415 1.00 0.00 N ATOM 538 CA GLY A 36 13.321 -4.860 -12.019 1.00 0.00 C ATOM 539 C GLY A 36 13.910 -5.690 -13.162 1.00 0.00 C ATOM 540 O GLY A 36 14.386 -6.803 -12.947 1.00 0.00 O ATOM 0 H GLY A 36 12.641 -2.887 -12.260 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.138 -4.359 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.856 -5.538 -11.304 1.00 0.00 H new ATOM 544 N ASN A 37 13.876 -5.177 -14.392 1.00 0.00 N ATOM 545 CA ASN A 37 14.333 -5.904 -15.581 1.00 0.00 C ATOM 546 C ASN A 37 15.850 -5.777 -15.800 1.00 0.00 C ATOM 547 O ASN A 37 16.307 -5.190 -16.779 1.00 0.00 O ATOM 548 CB ASN A 37 13.520 -5.486 -16.812 1.00 0.00 C ATOM 549 CG ASN A 37 12.023 -5.721 -16.702 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.224 -4.812 -16.841 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.594 -6.944 -16.473 1.00 0.00 N ATOM 0 H ASN A 37 13.529 -4.240 -14.595 1.00 0.00 H new ATOM 0 HA ASN A 37 14.153 -6.966 -15.413 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.693 -4.427 -17.001 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.895 -6.030 -17.679 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.593 -7.130 -16.412 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.263 -7.706 -16.357 1.00 0.00 H new ATOM 558 N LEU A 38 16.631 -6.339 -14.880 1.00 0.00 N ATOM 559 CA LEU A 38 18.101 -6.286 -14.881 1.00 0.00 C ATOM 560 C LEU A 38 18.783 -7.655 -14.940 1.00 0.00 C ATOM 561 O LEU A 38 18.259 -8.632 -14.412 1.00 0.00 O ATOM 562 CB LEU A 38 18.627 -5.453 -13.699 1.00 0.00 C ATOM 563 CG LEU A 38 18.715 -6.158 -12.325 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.282 -5.197 -11.292 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.374 -6.623 -11.770 1.00 0.00 C ATOM 0 H LEU A 38 16.253 -6.860 -14.089 1.00 0.00 H new ATOM 0 HA LEU A 38 18.371 -5.789 -15.813 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.622 -5.090 -13.957 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.986 -4.578 -13.590 1.00 0.00 H new ATOM 0 HG LEU A 38 19.344 -7.031 -12.498 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.343 -5.697 -10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.278 -4.879 -11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.632 -4.326 -11.210 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.527 -7.106 -10.805 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.714 -5.764 -11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.920 -7.332 -12.462 1.00 0.00 H new ATOM 577 N THR A 39 19.983 -7.703 -15.518 1.00 0.00 N ATOM 578 CA THR A 39 20.855 -8.888 -15.545 1.00 0.00 C ATOM 579 C THR A 39 22.313 -8.530 -15.236 1.00 0.00 C ATOM 580 O THR A 39 22.713 -7.366 -15.318 1.00 0.00 O ATOM 581 CB THR A 39 20.709 -9.648 -16.868 1.00 0.00 C ATOM 582 OG1 THR A 39 21.267 -10.926 -16.674 1.00 0.00 O ATOM 583 CG2 THR A 39 21.388 -8.983 -18.061 1.00 0.00 C ATOM 0 H THR A 39 20.391 -6.899 -15.995 1.00 0.00 H new ATOM 0 HA THR A 39 20.530 -9.559 -14.750 1.00 0.00 H new ATOM 0 HB THR A 39 19.648 -9.675 -17.116 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.099 -11.001 -17.186 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.233 -9.590 -18.953 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.961 -7.993 -18.217 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.457 -8.891 -17.867 1.00 0.00 H new ATOM 591 N ILE A 40 23.107 -9.527 -14.843 1.00 0.00 N ATOM 592 CA ILE A 40 24.476 -9.375 -14.327 1.00 0.00 C ATOM 593 C ILE A 40 25.438 -10.097 -15.266 1.00 0.00 C ATOM 594 O ILE A 40 25.295 -11.290 -15.521 1.00 0.00 O ATOM 595 CB ILE A 40 24.574 -9.941 -12.896 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.651 -9.164 -11.929 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.022 -9.919 -12.359 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.408 -9.923 -10.625 1.00 0.00 C ATOM 0 H ILE A 40 22.807 -10.501 -14.875 1.00 0.00 H new ATOM 0 HA ILE A 40 24.741 -8.319 -14.284 1.00 0.00 H new ATOM 0 HB ILE A 40 24.248 -10.980 -12.949 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.096 -8.195 -11.705 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.696 -8.971 -12.418 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.042 -10.327 -11.348 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.659 -10.522 -13.006 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.389 -8.893 -12.343 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.754 -9.337 -9.979 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.937 -10.881 -10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.359 -10.093 -10.120 1.00 0.00 H new ATOM 610 N ASN A 41 26.454 -9.376 -15.732 1.00 0.00 N ATOM 611 CA ASN A 41 27.442 -9.843 -16.695 1.00 0.00 C ATOM 612 C ASN A 41 28.836 -9.702 -16.064 1.00 0.00 C ATOM 613 O ASN A 41 29.080 -8.712 -15.374 1.00 0.00 O ATOM 614 CB ASN A 41 27.312 -9.012 -17.993 1.00 0.00 C ATOM 615 CG ASN A 41 25.876 -8.791 -18.469 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.348 -9.528 -19.288 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.215 -7.761 -17.979 1.00 0.00 N ATOM 0 H ASN A 41 26.616 -8.413 -15.437 1.00 0.00 H new ATOM 0 HA ASN A 41 27.282 -10.890 -16.951 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.781 -8.041 -17.835 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.870 -9.511 -18.785 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.259 -7.577 -18.283 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.660 -7.148 -17.295 1.00 0.00 H new ATOM 624 N GLU A 42 29.763 -10.634 -16.294 1.00 0.00 N ATOM 625 CA GLU A 42 31.167 -10.452 -15.888 1.00 0.00 C ATOM 626 C GLU A 42 32.171 -10.766 -17.006 1.00 0.00 C ATOM 627 O GLU A 42 31.881 -11.568 -17.901 1.00 0.00 O ATOM 628 CB GLU A 42 31.460 -11.217 -14.584 1.00 0.00 C ATOM 629 CG GLU A 42 31.673 -12.718 -14.761 1.00 0.00 C ATOM 630 CD GLU A 42 33.106 -13.165 -15.073 1.00 0.00 C ATOM 631 OE1 GLU A 42 33.219 -14.319 -15.536 1.00 0.00 O ATOM 632 OE2 GLU A 42 34.072 -12.418 -14.813 1.00 0.00 O ATOM 0 H GLU A 42 29.572 -11.522 -16.758 1.00 0.00 H new ATOM 0 HA GLU A 42 31.307 -9.390 -15.686 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.349 -10.790 -14.120 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.632 -11.060 -13.892 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.348 -13.220 -13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.023 -13.064 -15.565 1.00 0.00 H new ATOM 639 N ARG A 43 33.357 -10.144 -16.941 1.00 0.00 N ATOM 640 CA ARG A 43 34.507 -10.476 -17.794 1.00 0.00 C ATOM 641 C ARG A 43 35.699 -10.919 -16.933 1.00 0.00 C ATOM 642 O ARG A 43 36.215 -10.091 -16.172 1.00 0.00 O ATOM 643 CB ARG A 43 34.848 -9.305 -18.730 1.00 0.00 C ATOM 644 CG ARG A 43 35.839 -9.735 -19.823 1.00 0.00 C ATOM 645 CD ARG A 43 36.097 -8.598 -20.817 1.00 0.00 C ATOM 646 NE ARG A 43 37.016 -9.029 -21.890 1.00 0.00 N ATOM 647 CZ ARG A 43 37.294 -8.377 -23.007 1.00 0.00 C ATOM 648 NH1 ARG A 43 36.774 -7.213 -23.282 1.00 0.00 N ATOM 649 NH2 ARG A 43 38.110 -8.891 -23.883 1.00 0.00 N ATOM 0 H ARG A 43 33.547 -9.386 -16.286 1.00 0.00 H new ATOM 0 HA ARG A 43 34.247 -11.318 -18.435 1.00 0.00 H new ATOM 0 HB2 ARG A 43 33.935 -8.928 -19.191 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.275 -8.486 -18.151 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.779 -10.041 -19.365 1.00 0.00 H new ATOM 0 HG3 ARG A 43 35.446 -10.602 -20.353 1.00 0.00 H new ATOM 0 HD2 ARG A 43 35.153 -8.270 -21.252 1.00 0.00 H new ATOM 0 HD3 ARG A 43 36.521 -7.742 -20.293 1.00 0.00 H new ATOM 0 HE ARG A 43 37.486 -9.924 -21.755 1.00 0.00 H new ATOM 0 HH11 ARG A 43 36.129 -6.775 -22.625 1.00 0.00 H new ATOM 0 HH12 ARG A 43 37.013 -6.741 -24.154 1.00 0.00 H new ATOM 0 HH21 ARG A 43 38.538 -9.800 -23.709 1.00 0.00 H new ATOM 0 HH22 ARG A 43 38.321 -8.384 -24.743 1.00 0.00 H new ATOM 663 N PRO A 44 36.155 -12.179 -17.060 1.00 0.00 N ATOM 664 CA PRO A 44 37.223 -12.731 -16.237 1.00 0.00 C ATOM 665 C PRO A 44 38.589 -12.302 -16.792 1.00 0.00 C ATOM 666 O PRO A 44 38.911 -12.560 -17.956 1.00 0.00 O ATOM 667 CB PRO A 44 36.989 -14.245 -16.264 1.00 0.00 C ATOM 668 CG PRO A 44 36.376 -14.490 -17.640 1.00 0.00 C ATOM 669 CD PRO A 44 35.555 -13.228 -17.877 1.00 0.00 C ATOM 0 HA PRO A 44 37.219 -12.371 -15.208 1.00 0.00 H new ATOM 0 HB2 PRO A 44 37.920 -14.797 -16.136 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.319 -14.561 -15.465 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.141 -14.624 -18.405 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.754 -15.385 -17.651 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.566 -12.951 -18.931 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.513 -13.386 -17.600 1.00 0.00 H new ATOM 677 N SER A 45 39.397 -11.649 -15.953 1.00 0.00 N ATOM 678 CA SER A 45 40.644 -10.987 -16.354 1.00 0.00 C ATOM 679 C SER A 45 41.724 -11.181 -15.287 1.00 0.00 C ATOM 680 O SER A 45 41.736 -10.501 -14.258 1.00 0.00 O ATOM 681 CB SER A 45 40.387 -9.492 -16.615 1.00 0.00 C ATOM 682 OG SER A 45 39.468 -9.306 -17.685 1.00 0.00 O ATOM 0 H SER A 45 39.200 -11.563 -14.956 1.00 0.00 H new ATOM 0 HA SER A 45 41.003 -11.441 -17.278 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.996 -9.025 -15.711 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.328 -8.994 -16.850 1.00 0.00 H new ATOM 0 HG SER A 45 39.322 -8.348 -17.828 1.00 0.00 H new ATOM 688 N ALA A 46 42.671 -12.089 -15.546 1.00 0.00 N ATOM 689 CA ALA A 46 43.678 -12.544 -14.576 1.00 0.00 C ATOM 690 C ALA A 46 44.661 -11.456 -14.086 1.00 0.00 C ATOM 691 O ALA A 46 45.357 -11.654 -13.087 1.00 0.00 O ATOM 692 CB ALA A 46 44.411 -13.746 -15.184 1.00 0.00 C ATOM 0 H ALA A 46 42.762 -12.540 -16.457 1.00 0.00 H new ATOM 0 HA ALA A 46 43.150 -12.827 -13.665 1.00 0.00 H new ATOM 0 HB1 ALA A 46 45.165 -14.104 -14.484 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.696 -14.544 -15.387 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.893 -13.446 -16.114 1.00 0.00 H new ATOM 698 N ARG A 47 44.659 -10.278 -14.732 1.00 0.00 N ATOM 699 CA ARG A 47 45.304 -9.043 -14.243 1.00 0.00 C ATOM 700 C ARG A 47 44.887 -8.654 -12.813 1.00 0.00 C ATOM 701 O ARG A 47 45.695 -8.064 -12.094 1.00 0.00 O ATOM 702 CB ARG A 47 45.020 -7.894 -15.238 1.00 0.00 C ATOM 703 CG ARG A 47 43.536 -7.474 -15.296 1.00 0.00 C ATOM 704 CD ARG A 47 43.212 -6.531 -16.463 1.00 0.00 C ATOM 705 NE ARG A 47 43.784 -5.181 -16.269 1.00 0.00 N ATOM 706 CZ ARG A 47 43.620 -4.136 -17.065 1.00 0.00 C ATOM 707 NH1 ARG A 47 42.928 -4.204 -18.168 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.153 -2.987 -16.762 1.00 0.00 N ATOM 0 H ARG A 47 44.197 -10.153 -15.633 1.00 0.00 H new ATOM 0 HA ARG A 47 46.376 -9.235 -14.188 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.622 -7.029 -14.961 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.341 -8.200 -16.234 1.00 0.00 H new ATOM 0 HG2 ARG A 47 42.917 -8.367 -15.378 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.268 -6.985 -14.359 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.598 -6.957 -17.389 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.131 -6.452 -16.574 1.00 0.00 H new ATOM 0 HE ARG A 47 44.362 -5.041 -15.440 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.491 -5.084 -18.443 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.823 -3.377 -18.756 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.701 -2.888 -15.907 1.00 0.00 H new ATOM 0 HH22 ARG A 47 44.023 -2.186 -17.380 1.00 0.00 H new ATOM 722 N ALA A 48 43.643 -8.961 -12.414 1.00 0.00 N ATOM 723 CA ALA A 48 43.080 -8.543 -11.124 1.00 0.00 C ATOM 724 C ALA A 48 41.886 -9.371 -10.586 1.00 0.00 C ATOM 725 O ALA A 48 41.677 -9.372 -9.374 1.00 0.00 O ATOM 726 CB ALA A 48 42.670 -7.069 -11.268 1.00 0.00 C ATOM 0 H ALA A 48 42.997 -9.509 -12.982 1.00 0.00 H new ATOM 0 HA ALA A 48 43.859 -8.710 -10.380 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.245 -6.716 -10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.546 -6.470 -11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 48 41.928 -6.974 -12.061 1.00 0.00 H new ATOM 732 N GLY A 49 41.089 -10.047 -11.428 1.00 0.00 N ATOM 733 CA GLY A 49 39.848 -10.721 -11.005 1.00 0.00 C ATOM 734 C GLY A 49 38.768 -10.716 -12.092 1.00 0.00 C ATOM 735 O GLY A 49 38.937 -11.362 -13.128 1.00 0.00 O ATOM 0 H GLY A 49 41.286 -10.143 -12.424 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.075 -11.751 -10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.460 -10.231 -10.112 1.00 0.00 H new ATOM 739 N SER A 50 37.667 -9.992 -11.870 1.00 0.00 N ATOM 740 CA SER A 50 36.575 -9.839 -12.844 1.00 0.00 C ATOM 741 C SER A 50 36.065 -8.401 -12.961 1.00 0.00 C ATOM 742 O SER A 50 35.921 -7.688 -11.967 1.00 0.00 O ATOM 743 CB SER A 50 35.396 -10.769 -12.528 1.00 0.00 C ATOM 744 OG SER A 50 34.966 -10.659 -11.183 1.00 0.00 O ATOM 0 H SER A 50 37.504 -9.488 -10.998 1.00 0.00 H new ATOM 0 HA SER A 50 37.011 -10.117 -13.804 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.564 -10.535 -13.193 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.686 -11.800 -12.731 1.00 0.00 H new ATOM 0 HG SER A 50 34.213 -11.268 -11.029 1.00 0.00 H new ATOM 750 N TRP A 51 35.702 -7.991 -14.180 1.00 0.00 N ATOM 751 CA TRP A 51 34.788 -6.862 -14.366 1.00 0.00 C ATOM 752 C TRP A 51 33.369 -7.349 -14.104 1.00 0.00 C ATOM 753 O TRP A 51 33.000 -8.385 -14.643 1.00 0.00 O ATOM 754 CB TRP A 51 34.885 -6.301 -15.791 1.00 0.00 C ATOM 755 CG TRP A 51 35.742 -5.089 -15.942 1.00 0.00 C ATOM 756 CD1 TRP A 51 36.964 -5.052 -16.515 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.442 -3.720 -15.535 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.451 -3.759 -16.479 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.549 -2.893 -15.894 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.346 -3.095 -14.899 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.570 -1.514 -15.633 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.359 -1.712 -14.634 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.463 -0.923 -15.000 1.00 0.00 C ATOM 0 H TRP A 51 36.025 -8.421 -15.047 1.00 0.00 H new ATOM 0 HA TRP A 51 35.057 -6.064 -13.673 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.271 -7.082 -16.446 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.880 -6.061 -16.138 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.481 -5.901 -16.936 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.363 -3.479 -16.840 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.488 -3.685 -14.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.424 -0.916 -15.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.512 -1.253 -14.145 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.461 0.137 -14.795 1.00 0.00 H new ATOM 774 N ILE A 52 32.565 -6.599 -13.354 1.00 0.00 N ATOM 775 CA ILE A 52 31.120 -6.808 -13.193 1.00 0.00 C ATOM 776 C ILE A 52 30.375 -5.656 -13.858 1.00 0.00 C ATOM 777 O ILE A 52 30.672 -4.496 -13.585 1.00 0.00 O ATOM 778 CB ILE A 52 30.728 -6.914 -11.702 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.528 -7.988 -10.939 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.220 -7.187 -11.552 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.402 -9.404 -11.507 1.00 0.00 C ATOM 0 H ILE A 52 32.909 -5.800 -12.821 1.00 0.00 H new ATOM 0 HA ILE A 52 30.846 -7.750 -13.669 1.00 0.00 H new ATOM 0 HB ILE A 52 30.975 -5.950 -11.256 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.580 -7.704 -10.937 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.198 -7.997 -9.900 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.967 -7.258 -10.494 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.656 -6.373 -12.007 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.969 -8.124 -12.049 1.00 0.00 H new ATOM 0 HD11 ILE A 52 31.998 -10.091 -10.907 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.357 -9.714 -11.483 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.761 -9.416 -12.536 1.00 0.00 H new ATOM 793 N THR A 53 29.379 -5.981 -14.680 1.00 0.00 N ATOM 794 CA THR A 53 28.584 -5.019 -15.452 1.00 0.00 C ATOM 795 C THR A 53 27.112 -5.408 -15.375 1.00 0.00 C ATOM 796 O THR A 53 26.717 -6.471 -15.853 1.00 0.00 O ATOM 797 CB THR A 53 29.070 -4.975 -16.913 1.00 0.00 C ATOM 798 OG1 THR A 53 30.445 -4.644 -16.947 1.00 0.00 O ATOM 799 CG2 THR A 53 28.353 -3.909 -17.741 1.00 0.00 C ATOM 0 H THR A 53 29.092 -6.948 -14.834 1.00 0.00 H new ATOM 0 HA THR A 53 28.707 -4.021 -15.031 1.00 0.00 H new ATOM 0 HB THR A 53 28.865 -5.961 -17.331 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.752 -4.618 -17.877 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.735 -3.923 -18.762 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.283 -4.115 -17.751 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.529 -2.927 -17.301 1.00 0.00 H new ATOM 807 N ILE A 54 26.283 -4.550 -14.780 1.00 0.00 N ATOM 808 CA ILE A 54 24.834 -4.758 -14.663 1.00 0.00 C ATOM 809 C ILE A 54 24.115 -3.947 -15.740 1.00 0.00 C ATOM 810 O ILE A 54 24.351 -2.746 -15.918 1.00 0.00 O ATOM 811 CB ILE A 54 24.346 -4.549 -13.210 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.819 -4.660 -13.000 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.888 -3.257 -12.584 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.972 -3.465 -13.463 1.00 0.00 C ATOM 0 H ILE A 54 26.601 -3.677 -14.359 1.00 0.00 H new ATOM 0 HA ILE A 54 24.576 -5.798 -14.862 1.00 0.00 H new ATOM 0 HB ILE A 54 24.774 -5.400 -12.680 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.467 -5.550 -13.522 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.632 -4.819 -11.938 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.514 -3.162 -11.565 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.977 -3.289 -12.569 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.558 -2.401 -13.173 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.920 -3.665 -13.261 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.281 -2.569 -12.924 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.114 -3.311 -14.533 1.00 0.00 H new ATOM 826 N THR A 55 23.230 -4.624 -16.469 1.00 0.00 N ATOM 827 CA THR A 55 22.456 -4.059 -17.578 1.00 0.00 C ATOM 828 C THR A 55 20.954 -4.147 -17.297 1.00 0.00 C ATOM 829 O THR A 55 20.472 -5.154 -16.784 1.00 0.00 O ATOM 830 CB THR A 55 22.817 -4.747 -18.909 1.00 0.00 C ATOM 831 OG1 THR A 55 22.775 -6.151 -18.773 1.00 0.00 O ATOM 832 CG2 THR A 55 24.241 -4.436 -19.367 1.00 0.00 C ATOM 0 H THR A 55 23.024 -5.609 -16.302 1.00 0.00 H new ATOM 0 HA THR A 55 22.716 -3.004 -17.669 1.00 0.00 H new ATOM 0 HB THR A 55 22.089 -4.371 -19.628 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.006 -6.570 -19.629 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.440 -4.947 -20.309 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.352 -3.361 -19.507 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.949 -4.778 -18.612 1.00 0.00 H new ATOM 840 N VAL A 56 20.205 -3.091 -17.628 1.00 0.00 N ATOM 841 CA VAL A 56 18.730 -3.050 -17.592 1.00 0.00 C ATOM 842 C VAL A 56 18.212 -3.252 -19.012 1.00 0.00 C ATOM 843 O VAL A 56 18.492 -2.450 -19.899 1.00 0.00 O ATOM 844 CB VAL A 56 18.213 -1.759 -16.917 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.725 -1.483 -17.164 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.391 -1.923 -15.408 1.00 0.00 C ATOM 0 H VAL A 56 20.616 -2.211 -17.939 1.00 0.00 H new ATOM 0 HA VAL A 56 18.341 -3.857 -16.971 1.00 0.00 H new ATOM 0 HB VAL A 56 18.778 -0.929 -17.341 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.437 -0.561 -16.659 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.547 -1.381 -18.234 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.132 -2.310 -16.775 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.035 -1.027 -14.900 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.819 -2.785 -15.066 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.446 -2.074 -15.180 1.00 0.00 H new ATOM 856 N ASN A 57 17.496 -4.357 -19.226 1.00 0.00 N ATOM 857 CA ASN A 57 17.078 -4.931 -20.517 1.00 0.00 C ATOM 858 C ASN A 57 18.248 -5.197 -21.489 1.00 0.00 C ATOM 859 O ASN A 57 18.634 -6.346 -21.704 1.00 0.00 O ATOM 860 CB ASN A 57 15.948 -4.097 -21.155 1.00 0.00 C ATOM 861 CG ASN A 57 14.691 -4.051 -20.302 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.981 -5.033 -20.149 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.385 -2.914 -19.721 1.00 0.00 N ATOM 0 H ASN A 57 17.165 -4.922 -18.444 1.00 0.00 H new ATOM 0 HA ASN A 57 16.675 -5.920 -20.299 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.304 -3.081 -21.323 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.703 -4.514 -22.132 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.551 -2.847 -19.138 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.982 -2.097 -19.852 1.00 0.00 H new ATOM 870 N GLN A 58 18.808 -4.127 -22.061 1.00 0.00 N ATOM 871 CA GLN A 58 19.915 -4.128 -23.028 1.00 0.00 C ATOM 872 C GLN A 58 20.904 -2.953 -22.835 1.00 0.00 C ATOM 873 O GLN A 58 21.795 -2.752 -23.659 1.00 0.00 O ATOM 874 CB GLN A 58 19.329 -4.162 -24.453 1.00 0.00 C ATOM 875 CG GLN A 58 18.411 -2.970 -24.779 1.00 0.00 C ATOM 876 CD GLN A 58 17.994 -2.961 -26.249 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.916 -3.406 -26.624 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.829 -2.468 -27.143 1.00 0.00 N ATOM 0 H GLN A 58 18.484 -3.183 -21.851 1.00 0.00 H new ATOM 0 HA GLN A 58 20.514 -5.022 -22.856 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.148 -4.184 -25.172 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.767 -5.087 -24.582 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.522 -3.013 -24.149 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.926 -2.039 -24.541 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.730 -2.094 -26.847 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.573 -2.461 -28.130 1.00 0.00 H new ATOM 887 N ASP A 59 20.753 -2.169 -21.759 1.00 0.00 N ATOM 888 CA ASP A 59 21.504 -0.929 -21.507 1.00 0.00 C ATOM 889 C ASP A 59 22.333 -1.028 -20.222 1.00 0.00 C ATOM 890 O ASP A 59 21.808 -1.404 -19.176 1.00 0.00 O ATOM 891 CB ASP A 59 20.525 0.252 -21.415 1.00 0.00 C ATOM 892 CG ASP A 59 19.916 0.606 -22.781 1.00 0.00 C ATOM 893 OD1 ASP A 59 20.655 1.126 -23.653 1.00 0.00 O ATOM 894 OD2 ASP A 59 18.696 0.391 -22.983 1.00 0.00 O ATOM 0 H ASP A 59 20.086 -2.385 -21.018 1.00 0.00 H new ATOM 0 HA ASP A 59 22.195 -0.771 -22.335 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.726 0.006 -20.715 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.044 1.122 -21.014 1.00 0.00 H new ATOM 899 N VAL A 60 23.620 -0.674 -20.264 1.00 0.00 N ATOM 900 CA VAL A 60 24.463 -0.617 -19.053 1.00 0.00 C ATOM 901 C VAL A 60 24.113 0.599 -18.193 1.00 0.00 C ATOM 902 O VAL A 60 23.912 1.700 -18.706 1.00 0.00 O ATOM 903 CB VAL A 60 25.971 -0.707 -19.385 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.486 0.427 -20.279 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.828 -0.748 -18.114 1.00 0.00 C ATOM 0 H VAL A 60 24.108 -0.421 -21.123 1.00 0.00 H new ATOM 0 HA VAL A 60 24.241 -1.501 -18.455 1.00 0.00 H new ATOM 0 HB VAL A 60 26.068 -1.639 -19.942 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.551 0.289 -20.464 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.949 0.415 -21.227 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.325 1.384 -19.782 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.881 -0.811 -18.387 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.658 0.157 -17.531 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.555 -1.619 -17.519 1.00 0.00 H new ATOM 915 N ILE A 61 24.064 0.390 -16.872 1.00 0.00 N ATOM 916 CA ILE A 61 23.806 1.451 -15.883 1.00 0.00 C ATOM 917 C ILE A 61 24.841 1.519 -14.756 1.00 0.00 C ATOM 918 O ILE A 61 25.054 2.596 -14.201 1.00 0.00 O ATOM 919 CB ILE A 61 22.390 1.328 -15.290 1.00 0.00 C ATOM 920 CG1 ILE A 61 22.011 -0.102 -14.864 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.356 1.904 -16.268 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.862 -0.092 -13.855 1.00 0.00 C ATOM 0 H ILE A 61 24.203 -0.529 -16.452 1.00 0.00 H new ATOM 0 HA ILE A 61 23.891 2.385 -16.439 1.00 0.00 H new ATOM 0 HB ILE A 61 22.390 1.913 -14.370 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.723 -0.681 -15.741 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.879 -0.596 -14.426 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.358 1.812 -15.839 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.576 2.956 -16.452 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.399 1.354 -17.208 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.617 -1.116 -13.573 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.161 0.467 -12.968 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.988 0.380 -14.304 1.00 0.00 H new ATOM 934 N PHE A 62 25.497 0.401 -14.426 1.00 0.00 N ATOM 935 CA PHE A 62 26.570 0.368 -13.434 1.00 0.00 C ATOM 936 C PHE A 62 27.568 -0.749 -13.746 1.00 0.00 C ATOM 937 O PHE A 62 27.200 -1.808 -14.254 1.00 0.00 O ATOM 938 CB PHE A 62 25.972 0.253 -12.018 1.00 0.00 C ATOM 939 CG PHE A 62 27.001 0.001 -10.926 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.879 1.038 -10.556 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.148 -1.273 -10.339 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.903 0.798 -9.623 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.181 -1.516 -9.413 1.00 0.00 C ATOM 944 CZ PHE A 62 29.055 -0.478 -9.054 1.00 0.00 C ATOM 0 H PHE A 62 25.296 -0.508 -14.843 1.00 0.00 H new ATOM 0 HA PHE A 62 27.131 1.302 -13.477 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.432 1.171 -11.788 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.242 -0.557 -12.008 1.00 0.00 H new ATOM 0 HD1 PHE A 62 27.765 2.020 -10.990 1.00 0.00 H new ATOM 0 HD2 PHE A 62 26.464 -2.067 -10.601 1.00 0.00 H new ATOM 0 HE1 PHE A 62 29.574 1.596 -9.343 1.00 0.00 H new ATOM 0 HE2 PHE A 62 28.300 -2.498 -8.980 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.845 -0.660 -8.340 1.00 0.00 H new ATOM 954 N GLN A 63 28.840 -0.500 -13.441 1.00 0.00 N ATOM 955 CA GLN A 63 29.916 -1.484 -13.558 1.00 0.00 C ATOM 956 C GLN A 63 31.077 -1.182 -12.599 1.00 0.00 C ATOM 957 O GLN A 63 31.373 -0.021 -12.309 1.00 0.00 O ATOM 958 CB GLN A 63 30.378 -1.603 -15.023 1.00 0.00 C ATOM 959 CG GLN A 63 30.914 -0.310 -15.658 1.00 0.00 C ATOM 960 CD GLN A 63 31.230 -0.501 -17.141 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.650 0.130 -18.014 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.156 -1.371 -17.489 1.00 0.00 N ATOM 0 H GLN A 63 29.158 0.407 -13.100 1.00 0.00 H new ATOM 0 HA GLN A 63 29.523 -2.455 -13.256 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.157 -2.364 -15.079 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.540 -1.960 -15.622 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.178 0.485 -15.542 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.814 0.009 -15.132 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.649 -1.905 -16.773 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.380 -1.511 -18.474 1.00 0.00 H new ATOM 971 N THR A 64 31.737 -2.232 -12.107 1.00 0.00 N ATOM 972 CA THR A 64 32.843 -2.154 -11.136 1.00 0.00 C ATOM 973 C THR A 64 33.777 -3.365 -11.243 1.00 0.00 C ATOM 974 O THR A 64 33.408 -4.389 -11.821 1.00 0.00 O ATOM 975 CB THR A 64 32.282 -2.008 -9.711 1.00 0.00 C ATOM 976 OG1 THR A 64 33.336 -1.744 -8.809 1.00 0.00 O ATOM 977 CG2 THR A 64 31.513 -3.239 -9.219 1.00 0.00 C ATOM 0 H THR A 64 31.515 -3.190 -12.377 1.00 0.00 H new ATOM 0 HA THR A 64 33.440 -1.272 -11.369 1.00 0.00 H new ATOM 0 HB THR A 64 31.573 -1.181 -9.750 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.975 -1.650 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.149 -3.060 -8.207 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.668 -3.429 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.175 -4.105 -9.218 1.00 0.00 H new ATOM 985 N PHE A 65 34.985 -3.269 -10.688 1.00 0.00 N ATOM 986 CA PHE A 65 35.959 -4.361 -10.670 1.00 0.00 C ATOM 987 C PHE A 65 35.895 -5.141 -9.343 1.00 0.00 C ATOM 988 O PHE A 65 35.943 -4.544 -8.262 1.00 0.00 O ATOM 989 CB PHE A 65 37.362 -3.806 -10.970 1.00 0.00 C ATOM 990 CG PHE A 65 38.196 -4.745 -11.817 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.459 -4.438 -13.165 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.663 -5.954 -11.277 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.167 -5.346 -13.972 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.333 -6.878 -12.094 1.00 0.00 C ATOM 995 CZ PHE A 65 39.584 -6.577 -13.444 1.00 0.00 C ATOM 0 H PHE A 65 35.319 -2.420 -10.232 1.00 0.00 H new ATOM 0 HA PHE A 65 35.714 -5.079 -11.452 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.267 -2.849 -11.483 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.880 -3.614 -10.031 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.116 -3.502 -13.581 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.506 -6.173 -10.231 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.390 -5.096 -14.999 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.657 -7.823 -11.684 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.096 -7.291 -14.072 1.00 0.00 H new ATOM 1005 N LEU A 66 35.800 -6.471 -9.414 1.00 0.00 N ATOM 1006 CA LEU A 66 35.901 -7.385 -8.274 1.00 0.00 C ATOM 1007 C LEU A 66 37.289 -8.035 -8.176 1.00 0.00 C ATOM 1008 O LEU A 66 37.886 -8.424 -9.180 1.00 0.00 O ATOM 1009 CB LEU A 66 34.815 -8.470 -8.354 1.00 0.00 C ATOM 1010 CG LEU A 66 33.437 -8.114 -7.792 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.567 -9.363 -7.907 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.465 -7.750 -6.306 1.00 0.00 C ATOM 0 H LEU A 66 35.645 -6.958 -10.297 1.00 0.00 H new ATOM 0 HA LEU A 66 35.750 -6.791 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.692 -8.751 -9.400 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.178 -9.353 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 66 33.068 -7.254 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.572 -9.151 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.490 -9.658 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.017 -10.174 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.456 -7.508 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.845 -8.595 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.114 -6.887 -6.155 1.00 0.00 H new ATOM 1024 N PHE A 67 37.751 -8.220 -6.936 1.00 0.00 N ATOM 1025 CA PHE A 67 39.067 -8.790 -6.606 1.00 0.00 C ATOM 1026 C PHE A 67 38.916 -10.017 -5.676 1.00 0.00 C ATOM 1027 O PHE A 67 38.241 -9.911 -4.651 1.00 0.00 O ATOM 1028 CB PHE A 67 39.943 -7.703 -5.954 1.00 0.00 C ATOM 1029 CG PHE A 67 40.125 -6.431 -6.770 1.00 0.00 C ATOM 1030 CD1 PHE A 67 39.170 -5.398 -6.692 1.00 0.00 C ATOM 1031 CD2 PHE A 67 41.262 -6.264 -7.583 1.00 0.00 C ATOM 1032 CE1 PHE A 67 39.339 -4.216 -7.436 1.00 0.00 C ATOM 1033 CE2 PHE A 67 41.440 -5.073 -8.311 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.475 -4.054 -8.247 1.00 0.00 C ATOM 0 H PHE A 67 37.208 -7.972 -6.109 1.00 0.00 H new ATOM 0 HA PHE A 67 39.551 -9.133 -7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.505 -7.437 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.926 -8.127 -5.751 1.00 0.00 H new ATOM 0 HD1 PHE A 67 38.304 -5.514 -6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 67 41.999 -7.051 -7.648 1.00 0.00 H new ATOM 0 HE1 PHE A 67 38.596 -3.434 -7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 67 42.321 -4.942 -8.921 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.606 -3.148 -8.820 1.00 0.00 H new ATOM 1044 N PRO A 68 39.536 -11.173 -5.993 1.00 0.00 N ATOM 1045 CA PRO A 68 39.379 -12.423 -5.234 1.00 0.00 C ATOM 1046 C PRO A 68 40.218 -12.472 -3.941 1.00 0.00 C ATOM 1047 O PRO A 68 39.833 -13.138 -2.979 1.00 0.00 O ATOM 1048 CB PRO A 68 39.810 -13.522 -6.213 1.00 0.00 C ATOM 1049 CG PRO A 68 40.881 -12.822 -7.047 1.00 0.00 C ATOM 1050 CD PRO A 68 40.314 -11.421 -7.198 1.00 0.00 C ATOM 0 HA PRO A 68 38.352 -12.535 -4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.206 -14.395 -5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.978 -13.867 -6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.848 -12.817 -6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 68 41.026 -13.308 -8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.112 -10.686 -7.306 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.690 -11.346 -8.088 1.00 0.00 H new ATOM 1058 N LEU A 69 41.360 -11.765 -3.908 1.00 0.00 N ATOM 1059 CA LEU A 69 42.278 -11.723 -2.758 1.00 0.00 C ATOM 1060 C LEU A 69 41.778 -10.782 -1.642 1.00 0.00 C ATOM 1061 O LEU A 69 42.135 -10.951 -0.473 1.00 0.00 O ATOM 1062 CB LEU A 69 43.668 -11.313 -3.293 1.00 0.00 C ATOM 1063 CG LEU A 69 44.818 -11.315 -2.264 1.00 0.00 C ATOM 1064 CD1 LEU A 69 45.062 -12.699 -1.658 1.00 0.00 C ATOM 1065 CD2 LEU A 69 46.110 -10.862 -2.947 1.00 0.00 C ATOM 0 H LEU A 69 41.676 -11.197 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 69 42.334 -12.705 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.935 -11.987 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.590 -10.313 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 69 44.529 -10.636 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.881 -12.643 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 69 44.159 -13.039 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 69 45.320 -13.402 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 69 46.924 -10.862 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 69 46.349 -11.545 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 69 45.978 -9.855 -3.344 1.00 0.00 H new ATOM 1077 N LYS A 70 40.946 -9.797 -2.004 1.00 0.00 N ATOM 1078 CA LYS A 70 40.357 -8.801 -1.088 1.00 0.00 C ATOM 1079 C LYS A 70 39.041 -9.298 -0.468 1.00 0.00 C ATOM 1080 O LYS A 70 38.325 -10.104 -1.064 1.00 0.00 O ATOM 1081 CB LYS A 70 40.161 -7.457 -1.823 1.00 0.00 C ATOM 1082 CG LYS A 70 41.446 -6.837 -2.405 1.00 0.00 C ATOM 1083 CD LYS A 70 42.480 -6.466 -1.330 1.00 0.00 C ATOM 1084 CE LYS A 70 43.658 -5.710 -1.963 1.00 0.00 C ATOM 1085 NZ LYS A 70 44.658 -5.292 -0.939 1.00 0.00 N ATOM 0 H LYS A 70 40.653 -9.664 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 70 41.052 -8.649 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 70 39.448 -7.605 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 70 39.713 -6.744 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 70 41.896 -7.540 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.186 -5.944 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 70 42.012 -5.848 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 70 42.841 -7.368 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 70 44.141 -6.345 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 70 43.286 -4.831 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 45.439 -4.785 -1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 44.203 -4.666 -0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 45.031 -6.133 -0.455 1.00 0.00 H new ATOM 1099 N ARG A 71 38.698 -8.768 0.715 1.00 0.00 N ATOM 1100 CA ARG A 71 37.466 -9.103 1.474 1.00 0.00 C ATOM 1101 C ARG A 71 36.307 -8.116 1.258 1.00 0.00 C ATOM 1102 O ARG A 71 35.222 -8.304 1.803 1.00 0.00 O ATOM 1103 CB ARG A 71 37.806 -9.294 2.966 1.00 0.00 C ATOM 1104 CG ARG A 71 38.813 -10.437 3.188 1.00 0.00 C ATOM 1105 CD ARG A 71 39.051 -10.729 4.677 1.00 0.00 C ATOM 1106 NE ARG A 71 37.852 -11.295 5.335 1.00 0.00 N ATOM 1107 CZ ARG A 71 37.460 -12.558 5.349 1.00 0.00 C ATOM 1108 NH1 ARG A 71 38.122 -13.504 4.742 1.00 0.00 N ATOM 1109 NH2 ARG A 71 36.374 -12.901 5.981 1.00 0.00 N ATOM 0 H ARG A 71 39.279 -8.076 1.189 1.00 0.00 H new ATOM 0 HA ARG A 71 37.091 -10.045 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.217 -8.367 3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 71 36.892 -9.503 3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 71 38.448 -11.339 2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.761 -10.179 2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 71 39.883 -11.426 4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.341 -9.809 5.184 1.00 0.00 H new ATOM 0 HE ARG A 71 37.259 -10.634 5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 71 38.977 -13.282 4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 71 37.785 -14.466 4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 71 35.822 -12.194 6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 71 36.075 -13.876 5.989 1.00 0.00 H new ATOM 1123 N ASP A 72 36.507 -7.083 0.434 1.00 0.00 N ATOM 1124 CA ASP A 72 35.516 -6.022 0.180 1.00 0.00 C ATOM 1125 C ASP A 72 34.379 -6.433 -0.775 1.00 0.00 C ATOM 1126 O ASP A 72 33.433 -5.668 -0.941 1.00 0.00 O ATOM 1127 CB ASP A 72 36.208 -4.740 -0.302 1.00 0.00 C ATOM 1128 CG ASP A 72 37.241 -4.225 0.715 1.00 0.00 C ATOM 1129 OD1 ASP A 72 36.839 -3.583 1.715 1.00 0.00 O ATOM 1130 OD2 ASP A 72 38.457 -4.462 0.515 1.00 0.00 O ATOM 0 H ASP A 72 37.375 -6.954 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 72 35.031 -5.832 1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 72 36.702 -4.931 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 72 35.459 -3.969 -0.480 1.00 0.00 H new ATOM 1135 N PHE A 73 34.413 -7.643 -1.354 1.00 0.00 N ATOM 1136 CA PHE A 73 33.356 -8.208 -2.214 1.00 0.00 C ATOM 1137 C PHE A 73 31.941 -7.984 -1.657 1.00 0.00 C ATOM 1138 O PHE A 73 31.055 -7.550 -2.388 1.00 0.00 O ATOM 1139 CB PHE A 73 33.654 -9.709 -2.422 1.00 0.00 C ATOM 1140 CG PHE A 73 32.499 -10.546 -2.955 1.00 0.00 C ATOM 1141 CD1 PHE A 73 31.498 -11.012 -2.077 1.00 0.00 C ATOM 1142 CD2 PHE A 73 32.428 -10.870 -4.323 1.00 0.00 C ATOM 1143 CE1 PHE A 73 30.405 -11.738 -2.574 1.00 0.00 C ATOM 1144 CE2 PHE A 73 31.339 -11.610 -4.821 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.322 -12.025 -3.944 1.00 0.00 C ATOM 0 H PHE A 73 35.202 -8.278 -1.234 1.00 0.00 H new ATOM 0 HA PHE A 73 33.369 -7.685 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.493 -9.801 -3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.975 -10.132 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 73 31.573 -10.809 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 73 33.212 -10.550 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 73 29.629 -12.075 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 73 31.285 -11.857 -5.871 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.471 -12.568 -4.328 1.00 0.00 H new ATOM 1155 N GLU A 74 31.731 -8.201 -0.353 1.00 0.00 N ATOM 1156 CA GLU A 74 30.418 -8.026 0.289 1.00 0.00 C ATOM 1157 C GLU A 74 29.936 -6.572 0.202 1.00 0.00 C ATOM 1158 O GLU A 74 28.780 -6.294 -0.121 1.00 0.00 O ATOM 1159 CB GLU A 74 30.530 -8.456 1.759 1.00 0.00 C ATOM 1160 CG GLU A 74 29.161 -8.754 2.373 1.00 0.00 C ATOM 1161 CD GLU A 74 29.301 -9.152 3.855 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.244 -10.366 4.172 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.466 -8.252 4.715 1.00 0.00 O ATOM 0 H GLU A 74 32.465 -8.503 0.288 1.00 0.00 H new ATOM 0 HA GLU A 74 29.686 -8.643 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.161 -9.342 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 74 31.021 -7.669 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.520 -7.877 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.677 -9.559 1.820 1.00 0.00 H new ATOM 1170 N LYS A 75 30.863 -5.634 0.415 1.00 0.00 N ATOM 1171 CA LYS A 75 30.616 -4.191 0.346 1.00 0.00 C ATOM 1172 C LYS A 75 30.348 -3.764 -1.096 1.00 0.00 C ATOM 1173 O LYS A 75 29.368 -3.070 -1.346 1.00 0.00 O ATOM 1174 CB LYS A 75 31.776 -3.412 1.002 1.00 0.00 C ATOM 1175 CG LYS A 75 31.887 -3.699 2.509 1.00 0.00 C ATOM 1176 CD LYS A 75 32.915 -4.794 2.845 1.00 0.00 C ATOM 1177 CE LYS A 75 32.634 -5.449 4.203 1.00 0.00 C ATOM 1178 NZ LYS A 75 32.869 -4.525 5.353 1.00 0.00 N ATOM 0 H LYS A 75 31.830 -5.863 0.646 1.00 0.00 H new ATOM 0 HA LYS A 75 29.718 -3.949 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.713 -3.678 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.628 -2.343 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.162 -2.781 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 75 30.910 -3.999 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 75 32.901 -5.556 2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 75 33.916 -4.362 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 75 31.601 -5.795 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 75 33.268 -6.329 4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 32.664 -5.020 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 33.861 -4.213 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 32.246 -3.697 5.266 1.00 0.00 H new ATOM 1192 N THR A 76 31.118 -4.274 -2.059 1.00 0.00 N ATOM 1193 CA THR A 76 30.885 -4.071 -3.502 1.00 0.00 C ATOM 1194 C THR A 76 29.512 -4.594 -3.944 1.00 0.00 C ATOM 1195 O THR A 76 28.807 -3.898 -4.671 1.00 0.00 O ATOM 1196 CB THR A 76 32.011 -4.720 -4.327 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.242 -4.150 -3.929 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.870 -4.476 -5.831 1.00 0.00 C ATOM 0 H THR A 76 31.936 -4.850 -1.862 1.00 0.00 H new ATOM 0 HA THR A 76 30.892 -2.997 -3.686 1.00 0.00 H new ATOM 0 HB THR A 76 31.960 -5.794 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.971 -4.554 -4.444 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.694 -4.959 -6.357 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.924 -4.891 -6.180 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.891 -3.404 -6.029 1.00 0.00 H new ATOM 1206 N VAL A 77 29.078 -5.762 -3.454 1.00 0.00 N ATOM 1207 CA VAL A 77 27.731 -6.310 -3.710 1.00 0.00 C ATOM 1208 C VAL A 77 26.658 -5.376 -3.158 1.00 0.00 C ATOM 1209 O VAL A 77 25.792 -4.948 -3.916 1.00 0.00 O ATOM 1210 CB VAL A 77 27.575 -7.738 -3.138 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.114 -8.204 -3.105 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.347 -8.754 -3.985 1.00 0.00 C ATOM 0 H VAL A 77 29.654 -6.362 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 77 27.602 -6.381 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 77 27.967 -7.689 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 77 26.063 -9.213 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.530 -7.528 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.709 -8.203 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.221 -9.751 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.965 -8.742 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.405 -8.493 -3.991 1.00 0.00 H new ATOM 1222 N VAL A 78 26.725 -5.003 -1.874 1.00 0.00 N ATOM 1223 CA VAL A 78 25.714 -4.137 -1.232 1.00 0.00 C ATOM 1224 C VAL A 78 25.659 -2.760 -1.898 1.00 0.00 C ATOM 1225 O VAL A 78 24.580 -2.220 -2.134 1.00 0.00 O ATOM 1226 CB VAL A 78 25.984 -4.017 0.284 1.00 0.00 C ATOM 1227 CG1 VAL A 78 25.087 -2.984 0.980 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.727 -5.364 0.969 1.00 0.00 C ATOM 0 H VAL A 78 27.477 -5.289 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 78 24.737 -4.602 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 78 27.023 -3.699 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.328 -2.950 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.253 -2.001 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 78 24.042 -3.266 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.920 -5.271 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.690 -5.660 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.389 -6.120 0.545 1.00 0.00 H new ATOM 1238 N ALA A 79 26.813 -2.219 -2.286 1.00 0.00 N ATOM 1239 CA ALA A 79 26.911 -0.922 -2.940 1.00 0.00 C ATOM 1240 C ALA A 79 26.359 -0.953 -4.373 1.00 0.00 C ATOM 1241 O ALA A 79 25.797 0.037 -4.840 1.00 0.00 O ATOM 1242 CB ALA A 79 28.381 -0.508 -2.896 1.00 0.00 C ATOM 0 H ALA A 79 27.714 -2.677 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 79 26.297 -0.188 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.500 0.463 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.709 -0.441 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.984 -1.250 -3.420 1.00 0.00 H new ATOM 1248 N ALA A 80 26.475 -2.073 -5.090 1.00 0.00 N ATOM 1249 CA ALA A 80 25.896 -2.225 -6.425 1.00 0.00 C ATOM 1250 C ALA A 80 24.360 -2.183 -6.401 1.00 0.00 C ATOM 1251 O ALA A 80 23.758 -1.727 -7.368 1.00 0.00 O ATOM 1252 CB ALA A 80 26.404 -3.537 -7.033 1.00 0.00 C ATOM 0 H ALA A 80 26.973 -2.900 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 80 26.212 -1.384 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.981 -3.664 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.491 -3.509 -7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.102 -4.372 -6.401 1.00 0.00 H new ATOM 1258 N LEU A 81 23.720 -2.571 -5.292 1.00 0.00 N ATOM 1259 CA LEU A 81 22.254 -2.526 -5.145 1.00 0.00 C ATOM 1260 C LEU A 81 21.755 -1.074 -5.241 1.00 0.00 C ATOM 1261 O LEU A 81 20.870 -0.754 -6.032 1.00 0.00 O ATOM 1262 CB LEU A 81 21.816 -3.137 -3.794 1.00 0.00 C ATOM 1263 CG LEU A 81 22.398 -4.510 -3.424 1.00 0.00 C ATOM 1264 CD1 LEU A 81 22.022 -4.865 -1.990 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.923 -5.640 -4.331 1.00 0.00 C ATOM 0 H LEU A 81 24.202 -2.927 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 81 21.815 -3.113 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.080 -2.434 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.729 -3.220 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 81 23.477 -4.417 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.438 -5.840 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.422 -4.111 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.937 -4.898 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.375 -6.579 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.838 -5.721 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.217 -5.429 -5.359 1.00 0.00 H new ATOM 1277 N ILE A 82 22.402 -0.181 -4.481 1.00 0.00 N ATOM 1278 CA ILE A 82 22.096 1.257 -4.447 1.00 0.00 C ATOM 1279 C ILE A 82 22.477 1.906 -5.783 1.00 0.00 C ATOM 1280 O ILE A 82 21.676 2.613 -6.388 1.00 0.00 O ATOM 1281 CB ILE A 82 22.804 1.932 -3.242 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.373 1.276 -1.906 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.502 3.443 -3.220 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.153 1.766 -0.679 1.00 0.00 C ATOM 0 H ILE A 82 23.168 -0.442 -3.860 1.00 0.00 H new ATOM 0 HA ILE A 82 21.024 1.398 -4.308 1.00 0.00 H new ATOM 0 HB ILE A 82 23.879 1.791 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.312 1.467 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.493 0.196 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 82 23.005 3.902 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.860 3.899 -4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.427 3.598 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.787 1.256 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.213 1.550 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 82 23.013 2.841 -0.565 1.00 0.00 H new ATOM 1296 N GLN A 83 23.674 1.616 -6.303 1.00 0.00 N ATOM 1297 CA GLN A 83 24.169 2.229 -7.545 1.00 0.00 C ATOM 1298 C GLN A 83 23.377 1.790 -8.791 1.00 0.00 C ATOM 1299 O GLN A 83 23.277 2.548 -9.755 1.00 0.00 O ATOM 1300 CB GLN A 83 25.667 1.923 -7.702 1.00 0.00 C ATOM 1301 CG GLN A 83 26.490 2.669 -6.639 1.00 0.00 C ATOM 1302 CD GLN A 83 27.956 2.249 -6.627 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.249 1.067 -6.126 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.851 2.972 -7.043 1.00 0.00 N flip ATOM 0 H GLN A 83 24.325 0.955 -5.880 1.00 0.00 H new ATOM 0 HA GLN A 83 24.021 3.306 -7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.835 0.850 -7.612 1.00 0.00 H new ATOM 0 HB3 GLN A 83 26.000 2.215 -8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.425 3.742 -6.822 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.056 2.487 -5.656 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.627 3.888 -7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.821 2.659 -7.001 1.00 0.00 H new ATOM 1313 N THR A 84 22.745 0.611 -8.748 1.00 0.00 N ATOM 1314 CA THR A 84 21.798 0.158 -9.777 1.00 0.00 C ATOM 1315 C THR A 84 20.555 1.046 -9.805 1.00 0.00 C ATOM 1316 O THR A 84 20.167 1.506 -10.876 1.00 0.00 O ATOM 1317 CB THR A 84 21.407 -1.306 -9.547 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.540 -2.122 -9.722 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.384 -1.831 -10.539 1.00 0.00 C ATOM 0 H THR A 84 22.877 -0.062 -7.993 1.00 0.00 H new ATOM 0 HA THR A 84 22.292 0.235 -10.745 1.00 0.00 H new ATOM 0 HB THR A 84 20.988 -1.338 -8.541 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.101 -2.079 -8.920 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.158 -2.873 -10.312 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.472 -1.238 -10.469 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.787 -1.759 -11.549 1.00 0.00 H new ATOM 1327 N GLU A 85 19.937 1.351 -8.656 1.00 0.00 N ATOM 1328 CA GLU A 85 18.760 2.227 -8.659 1.00 0.00 C ATOM 1329 C GLU A 85 19.131 3.700 -8.874 1.00 0.00 C ATOM 1330 O GLU A 85 18.355 4.434 -9.476 1.00 0.00 O ATOM 1331 CB GLU A 85 17.874 2.028 -7.419 1.00 0.00 C ATOM 1332 CG GLU A 85 18.479 2.487 -6.087 1.00 0.00 C ATOM 1333 CD GLU A 85 17.376 2.729 -5.039 1.00 0.00 C ATOM 1334 OE1 GLU A 85 17.187 1.879 -4.135 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.701 3.787 -5.113 1.00 0.00 O ATOM 0 H GLU A 85 20.223 1.014 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 85 18.160 1.927 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.938 2.564 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.626 0.970 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.176 1.734 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.050 3.403 -6.238 1.00 0.00 H new ATOM 1342 N GLU A 86 20.308 4.163 -8.450 1.00 0.00 N ATOM 1343 CA GLU A 86 20.739 5.563 -8.616 1.00 0.00 C ATOM 1344 C GLU A 86 20.847 5.997 -10.085 1.00 0.00 C ATOM 1345 O GLU A 86 20.588 7.158 -10.402 1.00 0.00 O ATOM 1346 CB GLU A 86 22.068 5.795 -7.889 1.00 0.00 C ATOM 1347 CG GLU A 86 21.865 5.878 -6.373 1.00 0.00 C ATOM 1348 CD GLU A 86 21.464 7.300 -5.934 1.00 0.00 C ATOM 1349 OE1 GLU A 86 20.271 7.669 -6.064 1.00 0.00 O ATOM 1350 OE2 GLU A 86 22.341 8.065 -5.462 1.00 0.00 O ATOM 0 H GLU A 86 20.998 3.578 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 86 19.962 6.184 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.759 4.985 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.525 6.717 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.093 5.171 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.784 5.585 -5.865 1.00 0.00 H new ATOM 1357 N ALA A 87 21.126 5.059 -10.998 1.00 0.00 N ATOM 1358 CA ALA A 87 21.043 5.294 -12.440 1.00 0.00 C ATOM 1359 C ALA A 87 19.603 5.576 -12.898 1.00 0.00 C ATOM 1360 O ALA A 87 19.365 6.449 -13.726 1.00 0.00 O ATOM 1361 CB ALA A 87 21.586 4.054 -13.155 1.00 0.00 C ATOM 0 H ALA A 87 21.417 4.112 -10.754 1.00 0.00 H new ATOM 0 HA ALA A 87 21.632 6.177 -12.687 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.535 4.204 -14.233 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.622 3.889 -12.860 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.988 3.185 -12.881 1.00 0.00 H new ATOM 1367 N LEU A 88 18.631 4.837 -12.349 1.00 0.00 N ATOM 1368 CA LEU A 88 17.215 4.859 -12.744 1.00 0.00 C ATOM 1369 C LEU A 88 16.419 5.948 -12.010 1.00 0.00 C ATOM 1370 O LEU A 88 15.392 6.413 -12.504 1.00 0.00 O ATOM 1371 CB LEU A 88 16.621 3.457 -12.502 1.00 0.00 C ATOM 1372 CG LEU A 88 17.401 2.272 -13.100 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.657 0.991 -12.799 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.565 2.394 -14.611 1.00 0.00 C ATOM 0 H LEU A 88 18.815 4.182 -11.589 1.00 0.00 H new ATOM 0 HA LEU A 88 17.145 5.111 -13.802 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.536 3.303 -11.426 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.609 3.440 -12.907 1.00 0.00 H new ATOM 0 HG LEU A 88 18.394 2.269 -12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.203 0.146 -13.219 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.570 0.866 -11.720 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.662 1.036 -13.241 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.121 1.535 -14.987 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.583 2.425 -15.082 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.108 3.309 -14.845 1.00 0.00 H new ATOM 1386 N ASN A 89 16.931 6.407 -10.868 1.00 0.00 N ATOM 1387 CA ASN A 89 16.350 7.442 -10.004 1.00 0.00 C ATOM 1388 C ASN A 89 16.195 8.806 -10.699 1.00 0.00 C ATOM 1389 O ASN A 89 15.282 9.552 -10.358 1.00 0.00 O ATOM 1390 CB ASN A 89 17.195 7.528 -8.715 1.00 0.00 C ATOM 1391 CG ASN A 89 16.569 6.799 -7.543 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.660 7.277 -6.883 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.052 5.622 -7.265 1.00 0.00 N ATOM 0 H ASN A 89 17.811 6.048 -10.498 1.00 0.00 H new ATOM 0 HA ASN A 89 15.328 7.154 -9.755 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.184 7.112 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.336 8.576 -8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.671 5.085 -6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.812 5.237 -7.826 1.00 0.00 H new ATOM 1400 N ARG A 90 17.014 9.101 -11.718 1.00 0.00 N ATOM 1401 CA ARG A 90 16.905 10.306 -12.575 1.00 0.00 C ATOM 1402 C ARG A 90 16.349 10.025 -13.989 1.00 0.00 C ATOM 1403 O ARG A 90 16.179 10.949 -14.780 1.00 0.00 O ATOM 1404 CB ARG A 90 18.268 11.029 -12.556 1.00 0.00 C ATOM 1405 CG ARG A 90 18.152 12.539 -12.826 1.00 0.00 C ATOM 1406 CD ARG A 90 19.506 13.234 -12.644 1.00 0.00 C ATOM 1407 NE ARG A 90 19.379 14.702 -12.756 1.00 0.00 N ATOM 1408 CZ ARG A 90 19.398 15.438 -13.854 1.00 0.00 C ATOM 1409 NH1 ARG A 90 19.535 14.919 -15.044 1.00 0.00 N ATOM 1410 NH2 ARG A 90 19.274 16.732 -13.776 1.00 0.00 N ATOM 0 H ARG A 90 17.793 8.497 -11.982 1.00 0.00 H new ATOM 0 HA ARG A 90 16.148 10.973 -12.163 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.741 10.874 -11.586 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.921 10.581 -13.305 1.00 0.00 H new ATOM 0 HG2 ARG A 90 17.788 12.704 -13.840 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.420 12.978 -12.149 1.00 0.00 H new ATOM 0 HD2 ARG A 90 19.920 12.977 -11.669 1.00 0.00 H new ATOM 0 HD3 ARG A 90 20.207 12.870 -13.395 1.00 0.00 H new ATOM 0 HE ARG A 90 19.262 15.209 -11.879 1.00 0.00 H new ATOM 0 HH11 ARG A 90 19.632 13.909 -15.152 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.544 15.523 -15.866 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.162 17.180 -12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.289 17.298 -14.625 1.00 0.00 H new ATOM 1424 N ARG A 91 16.024 8.757 -14.294 1.00 0.00 N ATOM 1425 CA ARG A 91 15.399 8.314 -15.567 1.00 0.00 C ATOM 1426 C ARG A 91 13.873 8.268 -15.475 1.00 0.00 C ATOM 1427 O ARG A 91 13.181 8.867 -16.294 1.00 0.00 O ATOM 1428 CB ARG A 91 15.923 6.925 -15.985 1.00 0.00 C ATOM 1429 CG ARG A 91 17.404 6.896 -16.378 1.00 0.00 C ATOM 1430 CD ARG A 91 17.882 5.443 -16.577 1.00 0.00 C ATOM 1431 NE ARG A 91 18.309 5.196 -17.971 1.00 0.00 N ATOM 1432 CZ ARG A 91 17.637 4.631 -18.961 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.428 4.167 -18.819 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.182 4.522 -20.137 1.00 0.00 N ATOM 0 H ARG A 91 16.191 7.985 -13.648 1.00 0.00 H new ATOM 0 HA ARG A 91 15.676 9.052 -16.320 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.765 6.228 -15.162 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.330 6.565 -16.826 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.554 7.463 -17.297 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.001 7.379 -15.604 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.711 5.236 -15.900 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.078 4.756 -16.315 1.00 0.00 H new ATOM 0 HE ARG A 91 19.254 5.504 -18.202 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.960 4.231 -17.915 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.949 3.739 -19.612 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.127 4.872 -20.296 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.665 4.087 -20.901 1.00 0.00 H new ATOM 1448 N GLN A 92 13.370 7.520 -14.483 1.00 0.00 N ATOM 1449 CA GLN A 92 11.942 7.171 -14.364 1.00 0.00 C ATOM 1450 C GLN A 92 11.386 7.176 -12.936 1.00 0.00 C ATOM 1451 O GLN A 92 10.260 7.621 -12.721 1.00 0.00 O ATOM 1452 CB GLN A 92 11.687 5.811 -15.040 1.00 0.00 C ATOM 1453 CG GLN A 92 12.611 4.654 -14.608 1.00 0.00 C ATOM 1454 CD GLN A 92 12.086 3.307 -15.106 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.556 2.749 -16.087 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.083 2.748 -14.458 1.00 0.00 N ATOM 0 H GLN A 92 13.945 7.136 -13.733 1.00 0.00 H new ATOM 0 HA GLN A 92 11.398 7.966 -14.874 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.656 5.518 -14.843 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.781 5.941 -16.118 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.615 4.822 -14.999 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.691 4.636 -13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.686 3.208 -13.639 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.704 1.856 -14.776 1.00 0.00 H new ATOM 1465 N ILE A 93 12.174 6.743 -11.939 1.00 0.00 N ATOM 1466 CA ILE A 93 11.701 6.659 -10.534 1.00 0.00 C ATOM 1467 C ILE A 93 11.492 8.066 -9.940 1.00 0.00 C ATOM 1468 O ILE A 93 10.748 8.237 -8.982 1.00 0.00 O ATOM 1469 CB ILE A 93 12.618 5.764 -9.651 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.142 4.502 -10.390 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.851 5.338 -8.388 1.00 0.00 C ATOM 1472 CD1 ILE A 93 14.043 3.574 -9.560 1.00 0.00 C ATOM 0 H ILE A 93 13.140 6.445 -12.072 1.00 0.00 H new ATOM 0 HA ILE A 93 10.730 6.163 -10.542 1.00 0.00 H new ATOM 0 HB ILE A 93 13.492 6.362 -9.393 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.286 3.927 -10.743 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.696 4.823 -11.272 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.491 4.711 -7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.556 6.224 -7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.961 4.777 -8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.352 2.726 -10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.924 4.123 -9.229 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.492 3.214 -8.691 1.00 0.00 H new