USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 780 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 37 THR OG1 : rot -110:sc= 0.0758 USER MOD Set 1.2: A 69 THR OG1 : rot 130:sc= -0.214 USER MOD Set 2.1: A 19 GLN : amide:sc= 2.81 K(o=4.2,f=-15!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 144:sc= 2.29 (180deg=0.509) USER MOD Set 2.3: A 93 MET CE :methyl -160:sc= -0.914 (180deg=-1.64) USER MOD Set 3.1: A 12 MET CE :methyl -120:sc= 0 (180deg=-0.113) USER MOD Set 3.2: A 68 THR OG1 : rot -65:sc= 1.1 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -170:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 104:sc= 1.08 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.428 K(o=-0.43,f=-3.5!) USER MOD Single : A 38 GLN : amide:sc= -0.0769 K(o=-0.077,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0898 USER MOD Single : A 47 SER OG : rot 180:sc= 0.104 USER MOD Single : A 50 SER OG : rot 81:sc= 0.574 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.776 X(o=-0.78,f=-0.38) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -152:sc= 1.13 (180deg=0.585) USER MOD Single : A 110 SER OG : rot -74:sc= 1.23 USER MOD Single : A 125 ASN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 127 TYR OH : rot 95:sc= 1.07 USER MOD Single : A 128 TYR OH : rot 70:sc= -0.375 USER MOD Single : A 129 ASN : amide:sc= -0.749 K(o=-0.75,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 20.690 6.793 -2.187 1.00 0.00 N ATOM 110 CA GLY A 10 19.256 6.539 -2.230 1.00 0.00 C ATOM 111 C GLY A 10 18.758 6.445 -0.790 1.00 0.00 C ATOM 112 O GLY A 10 19.357 7.068 0.089 1.00 0.00 O ATOM 0 HA2 GLY A 10 18.742 7.340 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.047 5.614 -2.768 1.00 0.00 H new ATOM 116 N ALA A 11 17.683 5.693 -0.543 1.00 0.00 N ATOM 117 CA ALA A 11 16.889 5.793 0.691 1.00 0.00 C ATOM 118 C ALA A 11 16.591 4.420 1.317 1.00 0.00 C ATOM 119 O ALA A 11 17.118 3.398 0.889 1.00 0.00 O ATOM 120 CB ALA A 11 15.596 6.578 0.384 1.00 0.00 C ATOM 0 H ALA A 11 17.334 4.992 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 11 17.472 6.329 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.996 6.660 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.852 7.575 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.025 6.053 -0.382 1.00 0.00 H new ATOM 126 N MET A 12 15.751 4.400 2.352 1.00 0.00 N ATOM 127 CA MET A 12 14.849 3.301 2.651 1.00 0.00 C ATOM 128 C MET A 12 13.439 3.805 2.462 1.00 0.00 C ATOM 129 O MET A 12 13.202 5.011 2.561 1.00 0.00 O ATOM 130 CB MET A 12 15.007 2.776 4.075 1.00 0.00 C ATOM 131 CG MET A 12 16.254 1.913 4.106 1.00 0.00 C ATOM 132 SD MET A 12 16.176 0.441 5.151 1.00 0.00 S ATOM 133 CE MET A 12 15.094 -0.579 4.114 1.00 0.00 C ATOM 0 H MET A 12 15.682 5.169 3.019 1.00 0.00 H new ATOM 0 HA MET A 12 15.082 2.472 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 12 15.095 3.602 4.781 1.00 0.00 H new ATOM 0 HB3 MET A 12 14.132 2.196 4.369 1.00 0.00 H new ATOM 0 HG2 MET A 12 16.479 1.599 3.087 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.089 2.528 4.442 1.00 0.00 H new ATOM 0 HE1 MET A 12 14.189 -0.829 4.668 1.00 0.00 H new ATOM 0 HE2 MET A 12 14.827 -0.026 3.213 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.615 -1.496 3.836 1.00 0.00 H new ATOM 143 N TYR A 13 12.531 2.861 2.261 1.00 0.00 N ATOM 144 CA TYR A 13 11.101 3.105 2.164 1.00 0.00 C ATOM 145 C TYR A 13 10.353 1.929 2.792 1.00 0.00 C ATOM 146 O TYR A 13 10.740 0.763 2.645 1.00 0.00 O ATOM 147 CB TYR A 13 10.631 3.274 0.710 1.00 0.00 C ATOM 148 CG TYR A 13 11.187 4.425 -0.115 1.00 0.00 C ATOM 149 CD1 TYR A 13 10.824 5.757 0.174 1.00 0.00 C ATOM 150 CD2 TYR A 13 11.936 4.154 -1.276 1.00 0.00 C ATOM 151 CE1 TYR A 13 11.251 6.807 -0.664 1.00 0.00 C ATOM 152 CE2 TYR A 13 12.402 5.203 -2.090 1.00 0.00 C ATOM 153 CZ TYR A 13 12.067 6.535 -1.784 1.00 0.00 C ATOM 154 OH TYR A 13 12.552 7.529 -2.576 1.00 0.00 O ATOM 0 H TYR A 13 12.777 1.876 2.158 1.00 0.00 H new ATOM 0 HA TYR A 13 10.889 4.035 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.859 2.349 0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.546 3.373 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.217 5.973 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.155 3.131 -1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.953 7.823 -0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.017 4.986 -2.950 1.00 0.00 H new ATOM 0 HH TYR A 13 13.093 7.140 -3.294 1.00 0.00 H new ATOM 164 N GLU A 14 9.254 2.252 3.457 1.00 0.00 N ATOM 165 CA GLU A 14 8.271 1.356 4.027 1.00 0.00 C ATOM 166 C GLU A 14 6.930 2.049 3.810 1.00 0.00 C ATOM 167 O GLU A 14 6.842 3.275 3.899 1.00 0.00 O ATOM 168 CB GLU A 14 8.588 1.162 5.517 1.00 0.00 C ATOM 169 CG GLU A 14 7.470 0.492 6.328 1.00 0.00 C ATOM 170 CD GLU A 14 7.779 0.497 7.825 1.00 0.00 C ATOM 171 OE1 GLU A 14 8.957 0.403 8.240 1.00 0.00 O ATOM 172 OE2 GLU A 14 6.839 0.640 8.639 1.00 0.00 O ATOM 0 H GLU A 14 9.011 3.229 3.623 1.00 0.00 H new ATOM 0 HA GLU A 14 8.264 0.365 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.493 0.562 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.805 2.135 5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.529 1.011 6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.338 -0.535 5.987 1.00 0.00 H new ATOM 179 N VAL A 15 5.895 1.269 3.534 1.00 0.00 N ATOM 180 CA VAL A 15 4.514 1.721 3.475 1.00 0.00 C ATOM 181 C VAL A 15 3.682 0.918 4.473 1.00 0.00 C ATOM 182 O VAL A 15 3.999 -0.232 4.802 1.00 0.00 O ATOM 183 CB VAL A 15 4.017 1.641 2.012 1.00 0.00 C ATOM 184 CG1 VAL A 15 3.983 0.197 1.480 1.00 0.00 C ATOM 185 CG2 VAL A 15 2.657 2.312 1.766 1.00 0.00 C ATOM 0 H VAL A 15 5.997 0.273 3.339 1.00 0.00 H new ATOM 0 HA VAL A 15 4.416 2.765 3.771 1.00 0.00 H new ATOM 0 HB VAL A 15 4.760 2.211 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.627 0.197 0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.986 -0.228 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.312 -0.402 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.385 2.209 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.898 1.834 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.721 3.370 2.022 1.00 0.00 H new ATOM 195 N THR A 16 2.583 1.510 4.912 1.00 0.00 N ATOM 196 CA THR A 16 1.579 0.889 5.745 1.00 0.00 C ATOM 197 C THR A 16 0.232 1.223 5.127 1.00 0.00 C ATOM 198 O THR A 16 0.087 2.248 4.452 1.00 0.00 O ATOM 199 CB THR A 16 1.706 1.362 7.216 1.00 0.00 C ATOM 200 OG1 THR A 16 2.701 2.359 7.416 1.00 0.00 O ATOM 201 CG2 THR A 16 2.118 0.187 8.091 1.00 0.00 C ATOM 0 H THR A 16 2.361 2.479 4.684 1.00 0.00 H new ATOM 0 HA THR A 16 1.704 -0.193 5.784 1.00 0.00 H new ATOM 0 HB THR A 16 0.731 1.775 7.472 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.838 2.497 8.377 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.208 0.518 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.364 -0.598 8.025 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.077 -0.202 7.750 1.00 0.00 H new ATOM 209 N ILE A 17 -0.738 0.338 5.323 1.00 0.00 N ATOM 210 CA ILE A 17 -2.098 0.495 4.863 1.00 0.00 C ATOM 211 C ILE A 17 -2.987 0.140 6.033 1.00 0.00 C ATOM 212 O ILE A 17 -2.965 -0.999 6.477 1.00 0.00 O ATOM 213 CB ILE A 17 -2.356 -0.359 3.601 1.00 0.00 C ATOM 214 CG1 ILE A 17 -3.849 -0.369 3.199 1.00 0.00 C ATOM 215 CG2 ILE A 17 -1.858 -1.813 3.659 1.00 0.00 C ATOM 216 CD1 ILE A 17 -4.408 1.020 2.890 1.00 0.00 C ATOM 0 H ILE A 17 -0.586 -0.537 5.825 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.311 1.517 4.548 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.754 0.148 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.977 -1.006 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.431 -0.815 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.093 -2.316 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.779 -1.822 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.348 -2.333 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.460 0.936 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.312 1.655 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.851 1.461 2.063 1.00 0.00 H new ATOM 228 N GLU A 18 -3.726 1.109 6.548 1.00 0.00 N ATOM 229 CA GLU A 18 -4.691 0.976 7.623 1.00 0.00 C ATOM 230 C GLU A 18 -6.082 1.009 6.996 1.00 0.00 C ATOM 231 O GLU A 18 -6.348 1.826 6.106 1.00 0.00 O ATOM 232 CB GLU A 18 -4.463 2.144 8.602 1.00 0.00 C ATOM 233 CG GLU A 18 -3.791 1.657 9.890 1.00 0.00 C ATOM 234 CD GLU A 18 -4.783 1.202 10.963 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.990 1.015 10.677 1.00 0.00 O ATOM 236 OE2 GLU A 18 -4.346 1.044 12.129 1.00 0.00 O ATOM 0 H GLU A 18 -3.663 2.067 6.204 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.586 0.043 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.842 2.904 8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.417 2.615 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.122 0.830 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.174 2.460 10.294 1.00 0.00 H new ATOM 243 N GLN A 19 -6.990 0.148 7.454 1.00 0.00 N ATOM 244 CA GLN A 19 -8.342 0.017 6.926 1.00 0.00 C ATOM 245 C GLN A 19 -9.338 0.100 8.084 1.00 0.00 C ATOM 246 O GLN A 19 -9.263 -0.689 9.026 1.00 0.00 O ATOM 247 CB GLN A 19 -8.505 -1.310 6.165 1.00 0.00 C ATOM 248 CG GLN A 19 -7.613 -1.446 4.924 1.00 0.00 C ATOM 249 CD GLN A 19 -8.093 -2.555 3.983 1.00 0.00 C ATOM 250 OE1 GLN A 19 -8.686 -2.302 2.932 1.00 0.00 O ATOM 251 NE2 GLN A 19 -7.873 -3.801 4.344 1.00 0.00 N ATOM 0 H GLN A 19 -6.798 -0.494 8.223 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.534 0.827 6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.287 -2.133 6.845 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.547 -1.414 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.595 -0.498 4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.590 -1.655 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.382 -4.000 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.194 -4.568 3.753 1.00 0.00 H new ATOM 260 N SER A 20 -10.269 1.052 8.029 1.00 0.00 N ATOM 261 CA SER A 20 -11.391 1.166 8.967 1.00 0.00 C ATOM 262 C SER A 20 -12.681 0.794 8.238 1.00 0.00 C ATOM 263 O SER A 20 -12.700 0.791 7.006 1.00 0.00 O ATOM 264 CB SER A 20 -11.501 2.586 9.559 1.00 0.00 C ATOM 265 OG SER A 20 -10.380 3.390 9.255 1.00 0.00 O ATOM 0 H SER A 20 -10.266 1.782 7.317 1.00 0.00 H new ATOM 0 HA SER A 20 -11.220 0.484 9.800 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.402 3.066 9.177 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.611 2.517 10.641 1.00 0.00 H new ATOM 0 HG SER A 20 -10.498 4.279 9.650 1.00 0.00 H new ATOM 271 N GLY A 21 -13.766 0.544 8.976 1.00 0.00 N ATOM 272 CA GLY A 21 -15.069 0.247 8.398 1.00 0.00 C ATOM 273 C GLY A 21 -15.058 -1.085 7.654 1.00 0.00 C ATOM 274 O GLY A 21 -14.315 -1.999 8.030 1.00 0.00 O ATOM 0 H GLY A 21 -13.760 0.543 9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.821 0.219 9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.356 1.045 7.713 1.00 0.00 H new ATOM 278 N ASP A 22 -15.938 -1.259 6.666 1.00 0.00 N ATOM 279 CA ASP A 22 -16.147 -2.557 6.020 1.00 0.00 C ATOM 280 C ASP A 22 -15.026 -2.932 5.050 1.00 0.00 C ATOM 281 O ASP A 22 -15.128 -2.859 3.832 1.00 0.00 O ATOM 282 CB ASP A 22 -17.515 -2.674 5.356 1.00 0.00 C ATOM 283 CG ASP A 22 -17.812 -4.177 5.287 1.00 0.00 C ATOM 284 OD1 ASP A 22 -17.130 -4.927 4.554 1.00 0.00 O ATOM 285 OD2 ASP A 22 -18.595 -4.634 6.157 1.00 0.00 O ATOM 0 H ASP A 22 -16.522 -0.511 6.293 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.120 -3.285 6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -18.277 -2.150 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.507 -2.230 4.361 1.00 0.00 H new ATOM 290 N PHE A 23 -13.887 -3.336 5.590 1.00 0.00 N ATOM 291 CA PHE A 23 -12.692 -3.550 4.800 1.00 0.00 C ATOM 292 C PHE A 23 -12.649 -4.904 4.084 1.00 0.00 C ATOM 293 O PHE A 23 -11.564 -5.290 3.650 1.00 0.00 O ATOM 294 CB PHE A 23 -11.478 -3.261 5.688 1.00 0.00 C ATOM 295 CG PHE A 23 -11.317 -4.092 6.955 1.00 0.00 C ATOM 296 CD1 PHE A 23 -11.133 -5.490 6.893 1.00 0.00 C ATOM 297 CD2 PHE A 23 -11.330 -3.456 8.212 1.00 0.00 C ATOM 298 CE1 PHE A 23 -11.010 -6.245 8.071 1.00 0.00 C ATOM 299 CE2 PHE A 23 -11.170 -4.208 9.390 1.00 0.00 C ATOM 300 CZ PHE A 23 -11.019 -5.604 9.322 1.00 0.00 C ATOM 0 H PHE A 23 -13.768 -3.523 6.586 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.686 -2.853 3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.581 -3.393 5.084 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.516 -2.211 5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.086 -5.983 5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.463 -2.386 8.271 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.908 -7.319 8.016 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.163 -3.712 10.349 1.00 0.00 H new ATOM 0 HZ PHE A 23 -10.910 -6.182 10.228 1.00 0.00 H new ATOM 310 N ARG A 24 -13.764 -5.622 3.921 1.00 0.00 N ATOM 311 CA ARG A 24 -13.752 -7.006 3.432 1.00 0.00 C ATOM 312 C ARG A 24 -14.858 -7.293 2.410 1.00 0.00 C ATOM 313 O ARG A 24 -15.332 -8.425 2.348 1.00 0.00 O ATOM 314 CB ARG A 24 -13.771 -7.980 4.627 1.00 0.00 C ATOM 315 CG ARG A 24 -14.989 -7.799 5.551 1.00 0.00 C ATOM 316 CD ARG A 24 -15.529 -9.157 6.018 1.00 0.00 C ATOM 317 NE ARG A 24 -16.518 -9.030 7.104 1.00 0.00 N ATOM 318 CZ ARG A 24 -16.267 -8.675 8.370 1.00 0.00 C ATOM 319 NH1 ARG A 24 -15.027 -8.485 8.798 1.00 0.00 N ATOM 320 NH2 ARG A 24 -17.284 -8.495 9.206 1.00 0.00 N ATOM 0 H ARG A 24 -14.697 -5.263 4.123 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.825 -7.161 2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -13.760 -9.003 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.860 -7.844 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.708 -7.198 6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.772 -7.253 5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.986 -9.672 5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.699 -9.777 6.358 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.489 -9.233 6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.242 -8.609 8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.858 -8.215 9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.241 -8.627 8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.107 -8.224 10.173 1.00 0.00 H new ATOM 334 N SER A 25 -15.301 -6.289 1.654 1.00 0.00 N ATOM 335 CA SER A 25 -16.464 -6.400 0.775 1.00 0.00 C ATOM 336 C SER A 25 -16.182 -5.956 -0.667 1.00 0.00 C ATOM 337 O SER A 25 -17.135 -5.680 -1.393 1.00 0.00 O ATOM 338 CB SER A 25 -17.612 -5.612 1.429 1.00 0.00 C ATOM 339 OG SER A 25 -18.046 -6.305 2.588 1.00 0.00 O ATOM 0 H SER A 25 -14.860 -5.370 1.634 1.00 0.00 H new ATOM 0 HA SER A 25 -16.742 -7.449 0.671 1.00 0.00 H new ATOM 0 HB2 SER A 25 -17.277 -4.609 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.438 -5.498 0.727 1.00 0.00 H new ATOM 0 HG SER A 25 -17.703 -5.853 3.387 1.00 0.00 H new ATOM 345 N PHE A 26 -14.917 -5.855 -1.100 1.00 0.00 N ATOM 346 CA PHE A 26 -14.558 -5.152 -2.335 1.00 0.00 C ATOM 347 C PHE A 26 -13.568 -5.936 -3.187 1.00 0.00 C ATOM 348 O PHE A 26 -13.304 -7.105 -2.921 1.00 0.00 O ATOM 349 CB PHE A 26 -14.044 -3.743 -1.988 1.00 0.00 C ATOM 350 CG PHE A 26 -15.077 -2.957 -1.223 1.00 0.00 C ATOM 351 CD1 PHE A 26 -16.338 -2.759 -1.818 1.00 0.00 C ATOM 352 CD2 PHE A 26 -14.851 -2.562 0.108 1.00 0.00 C ATOM 353 CE1 PHE A 26 -17.396 -2.216 -1.085 1.00 0.00 C ATOM 354 CE2 PHE A 26 -15.910 -2.005 0.832 1.00 0.00 C ATOM 355 CZ PHE A 26 -17.175 -1.860 0.247 1.00 0.00 C ATOM 0 H PHE A 26 -14.120 -6.256 -0.606 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.452 -5.056 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.132 -3.822 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.785 -3.212 -2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.489 -3.030 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -13.879 -2.686 0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.365 -2.074 -1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.751 -1.684 1.851 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.991 -1.467 0.835 1.00 0.00 H new ATOM 365 N ILE A 27 -13.015 -5.287 -4.211 1.00 0.00 N ATOM 366 CA ILE A 27 -11.831 -5.725 -4.928 1.00 0.00 C ATOM 367 C ILE A 27 -10.752 -4.667 -4.655 1.00 0.00 C ATOM 368 O ILE A 27 -10.661 -3.685 -5.404 1.00 0.00 O ATOM 369 CB ILE A 27 -12.124 -5.874 -6.448 1.00 0.00 C ATOM 370 CG1 ILE A 27 -13.379 -6.665 -6.870 1.00 0.00 C ATOM 371 CG2 ILE A 27 -10.896 -6.473 -7.164 1.00 0.00 C ATOM 372 CD1 ILE A 27 -13.582 -8.000 -6.161 1.00 0.00 C ATOM 0 H ILE A 27 -13.396 -4.413 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.500 -6.708 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.341 -4.850 -6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -14.256 -6.042 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.328 -6.847 -7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.109 -6.574 -8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.038 -5.815 -7.027 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.672 -7.454 -6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -14.491 -8.474 -6.531 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.729 -8.650 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.671 -7.832 -5.088 1.00 0.00 H new ATOM 384 N LYS A 28 -9.972 -4.792 -3.574 1.00 0.00 N ATOM 385 CA LYS A 28 -8.774 -3.952 -3.415 1.00 0.00 C ATOM 386 C LYS A 28 -7.585 -4.573 -4.136 1.00 0.00 C ATOM 387 O LYS A 28 -7.545 -5.777 -4.384 1.00 0.00 O ATOM 388 CB LYS A 28 -8.446 -3.628 -1.948 1.00 0.00 C ATOM 389 CG LYS A 28 -8.217 -4.849 -1.061 1.00 0.00 C ATOM 390 CD LYS A 28 -8.760 -4.682 0.361 1.00 0.00 C ATOM 391 CE LYS A 28 -10.281 -4.485 0.371 1.00 0.00 C ATOM 392 NZ LYS A 28 -10.702 -3.771 1.588 1.00 0.00 N ATOM 0 H LYS A 28 -10.141 -5.449 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.999 -2.992 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.554 -3.002 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.262 -3.039 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.689 -5.717 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.148 -5.057 -1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.503 -5.560 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.280 -3.826 0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.586 -3.923 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.779 -5.453 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.493 -3.135 1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.006 -4.459 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.905 -3.214 1.957 1.00 0.00 H new ATOM 406 N SER A 29 -6.584 -3.738 -4.413 1.00 0.00 N ATOM 407 CA SER A 29 -5.280 -4.162 -4.901 1.00 0.00 C ATOM 408 C SER A 29 -4.223 -3.187 -4.377 1.00 0.00 C ATOM 409 O SER A 29 -4.545 -2.018 -4.136 1.00 0.00 O ATOM 410 CB SER A 29 -5.225 -4.140 -6.438 1.00 0.00 C ATOM 411 OG SER A 29 -6.453 -4.455 -7.080 1.00 0.00 O ATOM 0 H SER A 29 -6.663 -2.727 -4.301 1.00 0.00 H new ATOM 0 HA SER A 29 -5.097 -5.179 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.904 -3.150 -6.763 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.465 -4.846 -6.771 1.00 0.00 H new ATOM 0 HG SER A 29 -6.333 -4.417 -8.052 1.00 0.00 H new ATOM 417 N VAL A 30 -2.966 -3.628 -4.294 1.00 0.00 N ATOM 418 CA VAL A 30 -1.801 -2.798 -4.010 1.00 0.00 C ATOM 419 C VAL A 30 -0.677 -3.254 -4.945 1.00 0.00 C ATOM 420 O VAL A 30 -0.090 -4.318 -4.760 1.00 0.00 O ATOM 421 CB VAL A 30 -1.392 -2.868 -2.521 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.340 -1.796 -2.203 1.00 0.00 C ATOM 423 CG2 VAL A 30 -2.567 -2.632 -1.561 1.00 0.00 C ATOM 0 H VAL A 30 -2.726 -4.610 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.031 -1.748 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.005 -3.876 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.063 -1.859 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.543 -1.958 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.752 -0.809 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.214 -2.694 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.991 -1.644 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.332 -3.390 -1.729 1.00 0.00 H new ATOM 433 N VAL A 31 -0.406 -2.479 -5.990 1.00 0.00 N ATOM 434 CA VAL A 31 0.822 -2.550 -6.775 1.00 0.00 C ATOM 435 C VAL A 31 1.950 -2.042 -5.873 1.00 0.00 C ATOM 436 O VAL A 31 1.780 -1.001 -5.237 1.00 0.00 O ATOM 437 CB VAL A 31 0.659 -1.657 -8.029 1.00 0.00 C ATOM 438 CG1 VAL A 31 1.924 -1.609 -8.899 1.00 0.00 C ATOM 439 CG2 VAL A 31 -0.547 -2.057 -8.909 1.00 0.00 C ATOM 0 H VAL A 31 -1.052 -1.764 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 31 1.044 -3.563 -7.111 1.00 0.00 H new ATOM 0 HB VAL A 31 0.475 -0.661 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.748 -0.968 -9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.753 -1.210 -8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.170 -2.615 -9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.605 -1.392 -9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.423 -3.085 -9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.465 -1.977 -8.327 1.00 0.00 H new ATOM 449 N VAL A 32 3.095 -2.729 -5.848 1.00 0.00 N ATOM 450 CA VAL A 32 4.290 -2.310 -5.120 1.00 0.00 C ATOM 451 C VAL A 32 5.493 -2.585 -6.025 1.00 0.00 C ATOM 452 O VAL A 32 5.554 -3.640 -6.662 1.00 0.00 O ATOM 453 CB VAL A 32 4.417 -3.084 -3.787 1.00 0.00 C ATOM 454 CG1 VAL A 32 5.415 -2.392 -2.854 1.00 0.00 C ATOM 455 CG2 VAL A 32 3.098 -3.279 -3.024 1.00 0.00 C ATOM 0 H VAL A 32 3.217 -3.611 -6.345 1.00 0.00 H new ATOM 0 HA VAL A 32 4.235 -1.250 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 32 4.764 -4.075 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.490 -2.952 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.393 -2.352 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.073 -1.379 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.288 -3.832 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.671 -2.306 -2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.398 -3.838 -3.645 1.00 0.00 H new ATOM 465 N VAL A 33 6.460 -1.665 -6.078 1.00 0.00 N ATOM 466 CA VAL A 33 7.692 -1.836 -6.851 1.00 0.00 C ATOM 467 C VAL A 33 8.873 -1.390 -5.980 1.00 0.00 C ATOM 468 O VAL A 33 8.708 -0.475 -5.166 1.00 0.00 O ATOM 469 CB VAL A 33 7.584 -1.041 -8.179 1.00 0.00 C ATOM 470 CG1 VAL A 33 8.801 -1.291 -9.080 1.00 0.00 C ATOM 471 CG2 VAL A 33 6.310 -1.397 -8.973 1.00 0.00 C ATOM 0 H VAL A 33 6.409 -0.775 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 33 7.852 -2.879 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 33 7.541 0.010 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.694 -0.720 -10.002 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.708 -0.978 -8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.866 -2.353 -9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.281 -0.815 -9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.318 -2.460 -9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.430 -1.169 -8.371 1.00 0.00 H new ATOM 481 N ALA A 34 10.059 -1.980 -6.178 1.00 0.00 N ATOM 482 CA ALA A 34 11.343 -1.549 -5.625 1.00 0.00 C ATOM 483 C ALA A 34 12.406 -1.515 -6.733 1.00 0.00 C ATOM 484 O ALA A 34 12.464 -2.418 -7.570 1.00 0.00 O ATOM 485 CB ALA A 34 11.780 -2.488 -4.494 1.00 0.00 C ATOM 0 H ALA A 34 10.150 -2.814 -6.759 1.00 0.00 H new ATOM 0 HA ALA A 34 11.230 -0.546 -5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.737 -2.154 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.031 -2.477 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.883 -3.501 -4.882 1.00 0.00 H new ATOM 491 N ASN A 35 13.280 -0.511 -6.671 1.00 0.00 N ATOM 492 CA ASN A 35 14.380 -0.168 -7.560 1.00 0.00 C ATOM 493 C ASN A 35 15.649 -0.255 -6.729 1.00 0.00 C ATOM 494 O ASN A 35 15.923 0.632 -5.925 1.00 0.00 O ATOM 495 CB ASN A 35 14.252 1.272 -8.099 1.00 0.00 C ATOM 496 CG ASN A 35 15.367 1.642 -9.077 1.00 0.00 C ATOM 497 OD1 ASN A 35 16.419 1.004 -9.143 1.00 0.00 O ATOM 498 ND2 ASN A 35 15.190 2.710 -9.837 1.00 0.00 N ATOM 0 H ASN A 35 13.223 0.158 -5.903 1.00 0.00 H new ATOM 0 HA ASN A 35 14.384 -0.845 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.288 1.385 -8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.263 1.970 -7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.925 3.007 -10.479 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.318 3.237 -9.781 1.00 0.00 H new ATOM 505 N GLY A 36 16.409 -1.319 -6.911 1.00 0.00 N ATOM 506 CA GLY A 36 17.724 -1.518 -6.326 1.00 0.00 C ATOM 507 C GLY A 36 17.739 -2.575 -5.227 1.00 0.00 C ATOM 508 O GLY A 36 18.794 -2.808 -4.636 1.00 0.00 O ATOM 0 H GLY A 36 16.115 -2.102 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.423 -1.809 -7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 36 18.079 -0.572 -5.917 1.00 0.00 H new ATOM 512 N THR A 37 16.601 -3.205 -4.932 1.00 0.00 N ATOM 513 CA THR A 37 16.439 -4.142 -3.831 1.00 0.00 C ATOM 514 C THR A 37 15.127 -4.921 -4.018 1.00 0.00 C ATOM 515 O THR A 37 14.458 -4.773 -5.044 1.00 0.00 O ATOM 516 CB THR A 37 16.529 -3.370 -2.503 1.00 0.00 C ATOM 517 OG1 THR A 37 16.571 -4.250 -1.410 1.00 0.00 O ATOM 518 CG2 THR A 37 15.356 -2.413 -2.335 1.00 0.00 C ATOM 0 H THR A 37 15.745 -3.070 -5.471 1.00 0.00 H new ATOM 0 HA THR A 37 17.235 -4.886 -3.813 1.00 0.00 H new ATOM 0 HB THR A 37 17.452 -2.792 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.731 -4.189 -0.909 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.451 -1.884 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.354 -1.693 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 37 14.423 -2.976 -2.344 1.00 0.00 H new ATOM 526 N GLN A 38 14.756 -5.749 -3.039 1.00 0.00 N ATOM 527 CA GLN A 38 13.537 -6.543 -3.010 1.00 0.00 C ATOM 528 C GLN A 38 12.582 -5.985 -1.949 1.00 0.00 C ATOM 529 O GLN A 38 12.820 -4.933 -1.348 1.00 0.00 O ATOM 530 CB GLN A 38 13.901 -8.023 -2.783 1.00 0.00 C ATOM 531 CG GLN A 38 14.586 -8.647 -4.005 1.00 0.00 C ATOM 532 CD GLN A 38 15.826 -9.512 -3.730 1.00 0.00 C ATOM 533 OE1 GLN A 38 16.316 -9.683 -2.610 1.00 0.00 O ATOM 534 NE2 GLN A 38 16.383 -10.075 -4.784 1.00 0.00 N ATOM 0 H GLN A 38 15.329 -5.887 -2.207 1.00 0.00 H new ATOM 0 HA GLN A 38 13.012 -6.484 -3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.560 -8.104 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.997 -8.586 -2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.853 -9.259 -4.531 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.875 -7.843 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.979 -9.935 -5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 38 17.218 -10.651 -4.673 1.00 0.00 H new ATOM 543 N LEU A 39 11.462 -6.680 -1.762 1.00 0.00 N ATOM 544 CA LEU A 39 10.382 -6.311 -0.852 1.00 0.00 C ATOM 545 C LEU A 39 10.202 -7.399 0.198 1.00 0.00 C ATOM 546 O LEU A 39 10.718 -8.506 0.040 1.00 0.00 O ATOM 547 CB LEU A 39 9.073 -6.098 -1.627 1.00 0.00 C ATOM 548 CG LEU A 39 9.090 -4.901 -2.592 1.00 0.00 C ATOM 549 CD1 LEU A 39 7.794 -4.896 -3.399 1.00 0.00 C ATOM 550 CD2 LEU A 39 9.224 -3.562 -1.867 1.00 0.00 C ATOM 0 H LEU A 39 11.275 -7.550 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 39 10.642 -5.375 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.850 -7.002 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.261 -5.961 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 39 9.960 -5.015 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.797 -4.050 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.715 -5.824 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.944 -4.810 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.231 -2.752 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.382 -3.431 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.155 -3.547 -1.300 1.00 0.00 H new ATOM 562 N LYS A 40 9.467 -7.077 1.264 1.00 0.00 N ATOM 563 CA LYS A 40 9.355 -7.903 2.458 1.00 0.00 C ATOM 564 C LYS A 40 7.912 -7.928 2.944 1.00 0.00 C ATOM 565 O LYS A 40 7.353 -6.857 3.206 1.00 0.00 O ATOM 566 CB LYS A 40 10.304 -7.320 3.505 1.00 0.00 C ATOM 567 CG LYS A 40 10.381 -8.153 4.784 1.00 0.00 C ATOM 568 CD LYS A 40 11.337 -7.442 5.740 1.00 0.00 C ATOM 569 CE LYS A 40 11.326 -8.102 7.117 1.00 0.00 C ATOM 570 NZ LYS A 40 11.152 -7.092 8.179 1.00 0.00 N ATOM 0 H LYS A 40 8.923 -6.216 1.318 1.00 0.00 H new ATOM 0 HA LYS A 40 9.632 -8.937 2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.302 -7.236 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.980 -6.310 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.394 -8.255 5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.737 -9.160 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.347 -7.462 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.052 -6.394 5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.520 -8.834 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.259 -8.644 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.147 -7.561 9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.935 -6.409 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.250 -6.593 8.039 1.00 0.00 H new ATOM 584 N ASP A 41 7.316 -9.114 3.055 1.00 0.00 N ATOM 585 CA ASP A 41 5.931 -9.292 3.511 1.00 0.00 C ATOM 586 C ASP A 41 5.826 -8.968 5.005 1.00 0.00 C ATOM 587 O ASP A 41 6.678 -9.389 5.788 1.00 0.00 O ATOM 588 CB ASP A 41 5.434 -10.720 3.248 1.00 0.00 C ATOM 589 CG ASP A 41 3.916 -10.790 3.418 1.00 0.00 C ATOM 590 OD1 ASP A 41 3.457 -10.707 4.574 1.00 0.00 O ATOM 591 OD2 ASP A 41 3.175 -10.822 2.411 1.00 0.00 O ATOM 0 H ASP A 41 7.784 -9.992 2.829 1.00 0.00 H new ATOM 0 HA ASP A 41 5.300 -8.607 2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.709 -11.029 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.917 -11.414 3.936 1.00 0.00 H new ATOM 596 N GLY A 42 4.805 -8.216 5.424 1.00 0.00 N ATOM 597 CA GLY A 42 4.644 -7.781 6.808 1.00 0.00 C ATOM 598 C GLY A 42 3.911 -8.760 7.717 1.00 0.00 C ATOM 599 O GLY A 42 3.687 -8.411 8.879 1.00 0.00 O ATOM 0 H GLY A 42 4.062 -7.891 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.631 -7.590 7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.106 -6.833 6.813 1.00 0.00 H new ATOM 603 N ALA A 43 3.474 -9.921 7.236 1.00 0.00 N ATOM 604 CA ALA A 43 2.871 -10.951 8.065 1.00 0.00 C ATOM 605 C ALA A 43 3.974 -11.623 8.872 1.00 0.00 C ATOM 606 O ALA A 43 3.890 -11.703 10.096 1.00 0.00 O ATOM 607 CB ALA A 43 2.126 -11.977 7.205 1.00 0.00 C ATOM 0 H ALA A 43 3.531 -10.172 6.249 1.00 0.00 H new ATOM 0 HA ALA A 43 2.141 -10.501 8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.683 -12.738 7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.339 -11.476 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.825 -12.448 6.514 1.00 0.00 H new ATOM 613 N THR A 44 5.035 -12.063 8.198 1.00 0.00 N ATOM 614 CA THR A 44 6.053 -12.956 8.738 1.00 0.00 C ATOM 615 C THR A 44 7.455 -12.387 8.540 1.00 0.00 C ATOM 616 O THR A 44 8.359 -12.712 9.315 1.00 0.00 O ATOM 617 CB THR A 44 5.904 -14.345 8.079 1.00 0.00 C ATOM 618 OG1 THR A 44 5.339 -14.228 6.784 1.00 0.00 O ATOM 619 CG2 THR A 44 4.999 -15.237 8.929 1.00 0.00 C ATOM 0 H THR A 44 5.214 -11.798 7.229 1.00 0.00 H new ATOM 0 HA THR A 44 5.909 -13.056 9.814 1.00 0.00 H new ATOM 0 HB THR A 44 6.897 -14.787 8.002 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.254 -15.118 6.382 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.901 -16.213 8.455 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.435 -15.357 9.921 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.015 -14.777 9.018 1.00 0.00 H new ATOM 627 N GLY A 45 7.641 -11.491 7.569 1.00 0.00 N ATOM 628 CA GLY A 45 8.939 -10.991 7.166 1.00 0.00 C ATOM 629 C GLY A 45 9.513 -11.763 5.981 1.00 0.00 C ATOM 630 O GLY A 45 10.731 -11.738 5.799 1.00 0.00 O ATOM 0 H GLY A 45 6.871 -11.089 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.855 -9.936 6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.629 -11.056 8.008 1.00 0.00 H new ATOM 634 N GLU A 46 8.680 -12.466 5.198 1.00 0.00 N ATOM 635 CA GLU A 46 9.129 -13.217 4.031 1.00 0.00 C ATOM 636 C GLU A 46 9.830 -12.276 3.063 1.00 0.00 C ATOM 637 O GLU A 46 9.371 -11.159 2.812 1.00 0.00 O ATOM 638 CB GLU A 46 7.982 -13.907 3.286 1.00 0.00 C ATOM 639 CG GLU A 46 7.251 -14.951 4.132 1.00 0.00 C ATOM 640 CD GLU A 46 6.891 -16.203 3.330 1.00 0.00 C ATOM 641 OE1 GLU A 46 7.809 -17.001 3.043 1.00 0.00 O ATOM 642 OE2 GLU A 46 5.680 -16.442 3.080 1.00 0.00 O ATOM 0 H GLU A 46 7.675 -12.525 5.363 1.00 0.00 H new ATOM 0 HA GLU A 46 9.804 -13.991 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.268 -13.153 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.377 -14.387 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.878 -15.233 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.342 -14.511 4.541 1.00 0.00 H new ATOM 649 N SER A 47 10.948 -12.744 2.529 1.00 0.00 N ATOM 650 CA SER A 47 11.625 -12.144 1.398 1.00 0.00 C ATOM 651 C SER A 47 10.787 -12.391 0.141 1.00 0.00 C ATOM 652 O SER A 47 10.241 -13.481 -0.062 1.00 0.00 O ATOM 653 CB SER A 47 13.044 -12.725 1.277 1.00 0.00 C ATOM 654 OG SER A 47 13.174 -13.994 1.908 1.00 0.00 O ATOM 0 H SER A 47 11.420 -13.576 2.884 1.00 0.00 H new ATOM 0 HA SER A 47 11.729 -11.067 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.305 -12.820 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.756 -12.029 1.720 1.00 0.00 H new ATOM 0 HG SER A 47 14.092 -14.320 1.801 1.00 0.00 H new ATOM 660 N LEU A 48 10.689 -11.367 -0.706 1.00 0.00 N ATOM 661 CA LEU A 48 9.919 -11.372 -1.944 1.00 0.00 C ATOM 662 C LEU A 48 10.820 -10.943 -3.101 1.00 0.00 C ATOM 663 O LEU A 48 12.040 -10.811 -2.947 1.00 0.00 O ATOM 664 CB LEU A 48 8.686 -10.456 -1.809 1.00 0.00 C ATOM 665 CG LEU A 48 7.803 -10.647 -0.562 1.00 0.00 C ATOM 666 CD1 LEU A 48 6.761 -9.523 -0.521 1.00 0.00 C ATOM 667 CD2 LEU A 48 7.099 -12.006 -0.579 1.00 0.00 C ATOM 0 H LEU A 48 11.163 -10.479 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 48 9.554 -12.378 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.030 -9.422 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.061 -10.598 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 48 8.435 -10.613 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.128 -9.646 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.267 -8.559 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.146 -9.564 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.484 -12.108 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.467 -12.077 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.844 -12.801 -0.600 1.00 0.00 H new ATOM 679 N ALA A 49 10.228 -10.721 -4.271 1.00 0.00 N ATOM 680 CA ALA A 49 10.848 -10.180 -5.469 1.00 0.00 C ATOM 681 C ALA A 49 9.805 -9.284 -6.133 1.00 0.00 C ATOM 682 O ALA A 49 8.697 -9.748 -6.412 1.00 0.00 O ATOM 683 CB ALA A 49 11.262 -11.332 -6.385 1.00 0.00 C ATOM 0 H ALA A 49 9.239 -10.929 -4.413 1.00 0.00 H new ATOM 0 HA ALA A 49 11.745 -9.603 -5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.728 -10.932 -7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.972 -11.974 -5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.382 -11.913 -6.660 1.00 0.00 H new ATOM 689 N SER A 50 10.078 -7.985 -6.264 1.00 0.00 N ATOM 690 CA SER A 50 9.182 -7.062 -6.931 1.00 0.00 C ATOM 691 C SER A 50 9.391 -7.129 -8.459 1.00 0.00 C ATOM 692 O SER A 50 10.350 -7.772 -8.901 1.00 0.00 O ATOM 693 CB SER A 50 9.383 -5.688 -6.284 1.00 0.00 C ATOM 694 OG SER A 50 10.066 -4.741 -7.070 1.00 0.00 O ATOM 0 H SER A 50 10.929 -7.551 -5.908 1.00 0.00 H new ATOM 0 HA SER A 50 8.130 -7.319 -6.804 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.405 -5.282 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.930 -5.822 -5.351 1.00 0.00 H new ATOM 0 HG SER A 50 9.444 -4.338 -7.711 1.00 0.00 H new ATOM 700 N PRO A 51 8.552 -6.473 -9.282 1.00 0.00 N ATOM 701 CA PRO A 51 7.343 -5.761 -8.876 1.00 0.00 C ATOM 702 C PRO A 51 6.288 -6.793 -8.453 1.00 0.00 C ATOM 703 O PRO A 51 6.374 -7.973 -8.822 1.00 0.00 O ATOM 704 CB PRO A 51 6.914 -4.978 -10.117 1.00 0.00 C ATOM 705 CG PRO A 51 7.394 -5.844 -11.274 1.00 0.00 C ATOM 706 CD PRO A 51 8.658 -6.517 -10.735 1.00 0.00 C ATOM 0 HA PRO A 51 7.488 -5.089 -8.031 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.834 -4.834 -10.146 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.369 -3.988 -10.143 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.642 -6.579 -11.561 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.608 -5.245 -12.159 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.733 -7.545 -11.089 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.553 -5.996 -11.076 1.00 0.00 H new ATOM 714 N VAL A 52 5.310 -6.385 -7.648 1.00 0.00 N ATOM 715 CA VAL A 52 4.360 -7.309 -7.039 1.00 0.00 C ATOM 716 C VAL A 52 3.000 -6.639 -6.955 1.00 0.00 C ATOM 717 O VAL A 52 2.911 -5.420 -6.799 1.00 0.00 O ATOM 718 CB VAL A 52 4.934 -7.800 -5.694 1.00 0.00 C ATOM 719 CG1 VAL A 52 5.012 -6.681 -4.665 1.00 0.00 C ATOM 720 CG2 VAL A 52 4.192 -8.991 -5.080 1.00 0.00 C ATOM 0 H VAL A 52 5.155 -5.408 -7.401 1.00 0.00 H new ATOM 0 HA VAL A 52 4.209 -8.204 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 52 5.937 -8.143 -5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.422 -7.071 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.657 -5.886 -5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.014 -6.283 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.665 -9.267 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.153 -8.718 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.230 -9.837 -5.767 1.00 0.00 H new ATOM 730 N ILE A 53 1.949 -7.440 -7.078 1.00 0.00 N ATOM 731 CA ILE A 53 0.574 -7.018 -6.928 1.00 0.00 C ATOM 732 C ILE A 53 0.000 -7.841 -5.783 1.00 0.00 C ATOM 733 O ILE A 53 -0.057 -9.065 -5.897 1.00 0.00 O ATOM 734 CB ILE A 53 -0.195 -7.218 -8.240 1.00 0.00 C ATOM 735 CG1 ILE A 53 0.499 -6.709 -9.521 1.00 0.00 C ATOM 736 CG2 ILE A 53 -1.594 -6.572 -8.115 1.00 0.00 C ATOM 737 CD1 ILE A 53 1.025 -5.277 -9.519 1.00 0.00 C ATOM 0 H ILE A 53 2.040 -8.433 -7.292 1.00 0.00 H new ATOM 0 HA ILE A 53 0.494 -5.955 -6.699 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.252 -8.299 -8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.336 -7.374 -9.736 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.206 -6.807 -10.346 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.144 -6.712 -9.046 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.140 -7.042 -7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.486 -5.506 -7.914 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.487 -5.058 -10.482 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.200 -4.586 -9.347 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.765 -5.162 -8.727 1.00 0.00 H new ATOM 749 N LEU A 54 -0.352 -7.201 -4.669 1.00 0.00 N ATOM 750 CA LEU A 54 -1.107 -7.828 -3.590 1.00 0.00 C ATOM 751 C LEU A 54 -2.580 -7.593 -3.929 1.00 0.00 C ATOM 752 O LEU A 54 -2.980 -6.472 -4.259 1.00 0.00 O ATOM 753 CB LEU A 54 -0.748 -7.216 -2.226 1.00 0.00 C ATOM 754 CG LEU A 54 0.624 -7.582 -1.623 1.00 0.00 C ATOM 755 CD1 LEU A 54 0.788 -9.082 -1.367 1.00 0.00 C ATOM 756 CD2 LEU A 54 1.800 -7.108 -2.477 1.00 0.00 C ATOM 0 H LEU A 54 -0.118 -6.224 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.878 -8.891 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.796 -6.131 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.518 -7.508 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 54 0.640 -7.054 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.774 -9.273 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.021 -9.418 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.686 -9.625 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.736 -7.396 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.741 -7.566 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.763 -6.023 -2.578 1.00 0.00 H new ATOM 768 N SER A 55 -3.356 -8.669 -3.930 1.00 0.00 N ATOM 769 CA SER A 55 -4.757 -8.712 -4.326 1.00 0.00 C ATOM 770 C SER A 55 -5.678 -8.589 -3.099 1.00 0.00 C ATOM 771 O SER A 55 -5.216 -8.396 -1.973 1.00 0.00 O ATOM 772 CB SER A 55 -4.993 -10.020 -5.094 1.00 0.00 C ATOM 773 OG SER A 55 -3.969 -10.248 -6.048 1.00 0.00 O ATOM 0 H SER A 55 -3.007 -9.582 -3.640 1.00 0.00 H new ATOM 0 HA SER A 55 -4.995 -7.868 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.033 -10.854 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.959 -9.980 -5.597 1.00 0.00 H new ATOM 0 HG SER A 55 -4.144 -11.088 -6.521 1.00 0.00 H new ATOM 779 N ASP A 56 -6.992 -8.702 -3.304 1.00 0.00 N ATOM 780 CA ASP A 56 -8.002 -8.411 -2.286 1.00 0.00 C ATOM 781 C ASP A 56 -7.870 -9.328 -1.079 1.00 0.00 C ATOM 782 O ASP A 56 -7.975 -8.879 0.058 1.00 0.00 O ATOM 783 CB ASP A 56 -9.415 -8.487 -2.886 1.00 0.00 C ATOM 784 CG ASP A 56 -10.508 -8.108 -1.884 1.00 0.00 C ATOM 785 OD1 ASP A 56 -10.677 -6.888 -1.657 1.00 0.00 O ATOM 786 OD2 ASP A 56 -11.198 -9.031 -1.380 1.00 0.00 O ATOM 0 H ASP A 56 -7.389 -9.002 -4.194 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.832 -7.393 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.474 -7.824 -3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.596 -9.499 -3.249 1.00 0.00 H new ATOM 791 N GLU A 57 -7.538 -10.593 -1.326 1.00 0.00 N ATOM 792 CA GLU A 57 -7.402 -11.615 -0.300 1.00 0.00 C ATOM 793 C GLU A 57 -6.222 -11.321 0.618 1.00 0.00 C ATOM 794 O GLU A 57 -6.308 -11.572 1.823 1.00 0.00 O ATOM 795 CB GLU A 57 -7.224 -12.977 -0.986 1.00 0.00 C ATOM 796 CG GLU A 57 -8.548 -13.478 -1.599 1.00 0.00 C ATOM 797 CD GLU A 57 -9.089 -14.683 -0.830 1.00 0.00 C ATOM 798 OE1 GLU A 57 -9.409 -14.544 0.369 1.00 0.00 O ATOM 799 OE2 GLU A 57 -9.183 -15.776 -1.443 1.00 0.00 O ATOM 0 H GLU A 57 -7.353 -10.940 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.299 -11.625 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.468 -12.896 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.858 -13.705 -0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.285 -12.675 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.389 -13.750 -2.643 1.00 0.00 H new ATOM 806 N GLU A 58 -5.137 -10.782 0.059 1.00 0.00 N ATOM 807 CA GLU A 58 -3.928 -10.457 0.798 1.00 0.00 C ATOM 808 C GLU A 58 -4.207 -9.318 1.791 1.00 0.00 C ATOM 809 O GLU A 58 -3.675 -9.264 2.902 1.00 0.00 O ATOM 810 CB GLU A 58 -2.814 -10.025 -0.179 1.00 0.00 C ATOM 811 CG GLU A 58 -2.702 -10.795 -1.511 1.00 0.00 C ATOM 812 CD GLU A 58 -2.487 -12.295 -1.336 1.00 0.00 C ATOM 813 OE1 GLU A 58 -1.711 -12.684 -0.437 1.00 0.00 O ATOM 814 OE2 GLU A 58 -3.032 -13.092 -2.131 1.00 0.00 O ATOM 0 H GLU A 58 -5.078 -10.558 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.605 -11.341 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.959 -8.970 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.859 -10.109 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.610 -10.632 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.875 -10.384 -2.090 1.00 0.00 H new ATOM 821 N LEU A 59 -5.057 -8.384 1.358 1.00 0.00 N ATOM 822 CA LEU A 59 -5.407 -7.149 2.039 1.00 0.00 C ATOM 823 C LEU A 59 -6.669 -7.281 2.903 1.00 0.00 C ATOM 824 O LEU A 59 -7.190 -6.262 3.353 1.00 0.00 O ATOM 825 CB LEU A 59 -5.627 -6.084 0.954 1.00 0.00 C ATOM 826 CG LEU A 59 -4.404 -5.295 0.482 1.00 0.00 C ATOM 827 CD1 LEU A 59 -3.866 -4.376 1.585 1.00 0.00 C ATOM 828 CD2 LEU A 59 -3.271 -6.144 -0.089 1.00 0.00 C ATOM 0 H LEU A 59 -5.545 -8.482 0.468 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.600 -6.879 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.067 -6.574 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.364 -5.372 1.326 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.777 -4.695 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.998 -3.832 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.641 -3.667 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.577 -4.975 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.450 -5.496 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.919 -6.840 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.634 -6.703 -0.952 1.00 0.00 H new ATOM 840 N ALA A 60 -7.202 -8.479 3.139 1.00 0.00 N ATOM 841 CA ALA A 60 -8.462 -8.714 3.851 1.00 0.00 C ATOM 842 C ALA A 60 -8.384 -8.458 5.376 1.00 0.00 C ATOM 843 O ALA A 60 -9.067 -9.124 6.154 1.00 0.00 O ATOM 844 CB ALA A 60 -8.927 -10.143 3.547 1.00 0.00 C ATOM 0 H ALA A 60 -6.756 -9.343 2.831 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.189 -7.987 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.864 -10.339 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.078 -10.256 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.170 -10.851 3.884 1.00 0.00 H new ATOM 850 N VAL A 61 -7.546 -7.528 5.835 1.00 0.00 N ATOM 851 CA VAL A 61 -7.201 -7.315 7.239 1.00 0.00 C ATOM 852 C VAL A 61 -7.313 -5.838 7.632 1.00 0.00 C ATOM 853 O VAL A 61 -7.354 -4.946 6.788 1.00 0.00 O ATOM 854 CB VAL A 61 -5.778 -7.844 7.512 1.00 0.00 C ATOM 855 CG1 VAL A 61 -5.611 -9.337 7.241 1.00 0.00 C ATOM 856 CG2 VAL A 61 -4.716 -7.133 6.672 1.00 0.00 C ATOM 0 H VAL A 61 -7.070 -6.876 5.212 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.914 -7.867 7.852 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.638 -7.644 8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.584 -9.633 7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.292 -9.901 7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.837 -9.544 6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.733 -7.544 6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.931 -7.280 5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.726 -6.067 6.899 1.00 0.00 H new ATOM 866 N GLU A 62 -7.278 -5.570 8.934 1.00 0.00 N ATOM 867 CA GLU A 62 -7.269 -4.235 9.524 1.00 0.00 C ATOM 868 C GLU A 62 -6.072 -3.379 9.080 1.00 0.00 C ATOM 869 O GLU A 62 -6.209 -2.161 8.960 1.00 0.00 O ATOM 870 CB GLU A 62 -7.338 -4.388 11.053 1.00 0.00 C ATOM 871 CG GLU A 62 -6.053 -5.016 11.621 1.00 0.00 C ATOM 872 CD GLU A 62 -6.130 -5.526 13.067 1.00 0.00 C ATOM 873 OE1 GLU A 62 -7.229 -5.527 13.671 1.00 0.00 O ATOM 874 OE2 GLU A 62 -5.096 -6.023 13.581 1.00 0.00 O ATOM 0 H GLU A 62 -7.254 -6.309 9.637 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.140 -3.688 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.498 -3.411 11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.194 -5.008 11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.766 -5.849 10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.254 -4.277 11.561 1.00 0.00 H new ATOM 881 N LYS A 63 -4.893 -3.973 8.851 1.00 0.00 N ATOM 882 CA LYS A 63 -3.692 -3.231 8.477 1.00 0.00 C ATOM 883 C LYS A 63 -2.709 -4.156 7.775 1.00 0.00 C ATOM 884 O LYS A 63 -2.629 -5.311 8.193 1.00 0.00 O ATOM 885 CB LYS A 63 -3.067 -2.617 9.743 1.00 0.00 C ATOM 886 CG LYS A 63 -1.707 -1.940 9.499 1.00 0.00 C ATOM 887 CD LYS A 63 -1.138 -1.410 10.810 1.00 0.00 C ATOM 888 CE LYS A 63 0.369 -1.162 10.656 1.00 0.00 C ATOM 889 NZ LYS A 63 1.098 -1.348 11.924 1.00 0.00 N ATOM 0 H LYS A 63 -4.750 -4.981 8.921 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.949 -2.428 7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.758 -1.884 10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.944 -3.399 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.012 -2.653 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.822 -1.122 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.642 -0.485 11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.319 -2.126 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.772 -1.841 9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.533 -0.148 10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.111 -1.170 11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.733 -0.683 12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.965 -2.323 12.261 1.00 0.00 H new ATOM 903 N VAL A 64 -1.921 -3.660 6.815 1.00 0.00 N ATOM 904 CA VAL A 64 -0.722 -4.354 6.346 1.00 0.00 C ATOM 905 C VAL A 64 0.461 -3.366 6.364 1.00 0.00 C ATOM 906 O VAL A 64 0.257 -2.150 6.396 1.00 0.00 O ATOM 907 CB VAL A 64 -0.942 -5.018 4.960 1.00 0.00 C ATOM 908 CG1 VAL A 64 0.009 -6.204 4.750 1.00 0.00 C ATOM 909 CG2 VAL A 64 -2.347 -5.604 4.774 1.00 0.00 C ATOM 0 H VAL A 64 -2.097 -2.772 6.345 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.489 -5.180 7.019 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.769 -4.207 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.171 -6.646 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.041 -5.858 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.166 -6.952 5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.427 -6.051 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.526 -6.367 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.088 -4.811 4.875 1.00 0.00 H new ATOM 919 N THR A 65 1.688 -3.883 6.308 1.00 0.00 N ATOM 920 CA THR A 65 2.973 -3.203 6.450 1.00 0.00 C ATOM 921 C THR A 65 3.937 -3.796 5.406 1.00 0.00 C ATOM 922 O THR A 65 4.330 -4.954 5.547 1.00 0.00 O ATOM 923 CB THR A 65 3.484 -3.470 7.884 1.00 0.00 C ATOM 924 OG1 THR A 65 2.532 -3.105 8.873 1.00 0.00 O ATOM 925 CG2 THR A 65 4.810 -2.765 8.180 1.00 0.00 C ATOM 0 H THR A 65 1.818 -4.882 6.147 1.00 0.00 H new ATOM 0 HA THR A 65 2.892 -2.128 6.290 1.00 0.00 H new ATOM 0 HB THR A 65 3.647 -4.547 7.930 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.897 -3.293 9.763 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.121 -2.988 9.201 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.572 -3.116 7.484 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.683 -1.688 8.066 1.00 0.00 H new ATOM 933 N LEU A 66 4.329 -3.081 4.342 1.00 0.00 N ATOM 934 CA LEU A 66 5.234 -3.630 3.316 1.00 0.00 C ATOM 935 C LEU A 66 6.471 -2.749 3.201 1.00 0.00 C ATOM 936 O LEU A 66 6.377 -1.531 3.033 1.00 0.00 O ATOM 937 CB LEU A 66 4.568 -3.795 1.937 1.00 0.00 C ATOM 938 CG LEU A 66 3.633 -4.996 1.708 1.00 0.00 C ATOM 939 CD1 LEU A 66 4.338 -6.315 2.034 1.00 0.00 C ATOM 940 CD2 LEU A 66 2.318 -4.907 2.476 1.00 0.00 C ATOM 0 H LEU A 66 4.035 -2.120 4.167 1.00 0.00 H new ATOM 0 HA LEU A 66 5.512 -4.632 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.998 -2.888 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.361 -3.846 1.191 1.00 0.00 H new ATOM 0 HG LEU A 66 3.381 -4.968 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.653 -7.146 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.213 -6.428 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.651 -6.312 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.713 -5.788 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.524 -4.857 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.777 -4.012 2.168 1.00 0.00 H new ATOM 952 N SER A 67 7.646 -3.368 3.215 1.00 0.00 N ATOM 953 CA SER A 67 8.921 -2.665 3.354 1.00 0.00 C ATOM 954 C SER A 67 9.957 -3.177 2.345 1.00 0.00 C ATOM 955 O SER A 67 9.655 -4.095 1.578 1.00 0.00 O ATOM 956 CB SER A 67 9.402 -2.721 4.815 1.00 0.00 C ATOM 957 OG SER A 67 8.367 -2.972 5.759 1.00 0.00 O ATOM 0 H SER A 67 7.744 -4.380 3.130 1.00 0.00 H new ATOM 0 HA SER A 67 8.777 -1.612 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.159 -3.499 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.884 -1.776 5.064 1.00 0.00 H new ATOM 0 HG SER A 67 8.747 -2.995 6.662 1.00 0.00 H new ATOM 963 N THR A 68 11.148 -2.573 2.305 1.00 0.00 N ATOM 964 CA THR A 68 12.224 -2.955 1.391 1.00 0.00 C ATOM 965 C THR A 68 13.271 -3.782 2.135 1.00 0.00 C ATOM 966 O THR A 68 13.512 -3.548 3.319 1.00 0.00 O ATOM 967 CB THR A 68 12.853 -1.698 0.749 1.00 0.00 C ATOM 968 OG1 THR A 68 12.894 -0.555 1.598 1.00 0.00 O ATOM 969 CG2 THR A 68 12.056 -1.290 -0.487 1.00 0.00 C ATOM 0 H THR A 68 11.394 -1.794 2.916 1.00 0.00 H new ATOM 0 HA THR A 68 11.813 -3.569 0.589 1.00 0.00 H new ATOM 0 HB THR A 68 13.878 -1.990 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.980 -0.265 1.800 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.506 -0.403 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 68 12.065 -2.105 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.028 -1.070 -0.201 1.00 0.00 H new ATOM 977 N THR A 69 13.935 -4.719 1.459 1.00 0.00 N ATOM 978 CA THR A 69 15.002 -5.508 2.074 1.00 0.00 C ATOM 979 C THR A 69 16.358 -4.790 2.036 1.00 0.00 C ATOM 980 O THR A 69 17.360 -5.294 2.556 1.00 0.00 O ATOM 981 CB THR A 69 15.069 -6.892 1.415 1.00 0.00 C ATOM 982 OG1 THR A 69 15.132 -6.779 0.014 1.00 0.00 O ATOM 983 CG2 THR A 69 13.842 -7.736 1.763 1.00 0.00 C ATOM 0 H THR A 69 13.752 -4.951 0.483 1.00 0.00 H new ATOM 0 HA THR A 69 14.763 -5.635 3.130 1.00 0.00 H new ATOM 0 HB THR A 69 15.969 -7.375 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.872 -7.325 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.921 -8.710 1.280 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.787 -7.870 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.942 -7.230 1.414 1.00 0.00 H new ATOM 991 N GLY A 70 16.439 -3.593 1.468 1.00 0.00 N ATOM 992 CA GLY A 70 17.687 -2.906 1.208 1.00 0.00 C ATOM 993 C GLY A 70 17.399 -1.491 0.746 1.00 0.00 C ATOM 994 O GLY A 70 16.261 -1.019 0.794 1.00 0.00 O ATOM 0 H GLY A 70 15.618 -3.066 1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.299 -2.888 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.256 -3.440 0.447 1.00 0.00 H new ATOM 998 N LYS A 71 18.444 -0.788 0.327 1.00 0.00 N ATOM 999 CA LYS A 71 18.330 0.574 -0.164 1.00 0.00 C ATOM 1000 C LYS A 71 17.627 0.569 -1.515 1.00 0.00 C ATOM 1001 O LYS A 71 18.078 -0.132 -2.426 1.00 0.00 O ATOM 1002 CB LYS A 71 19.729 1.172 -0.292 1.00 0.00 C ATOM 1003 CG LYS A 71 19.692 2.700 -0.420 1.00 0.00 C ATOM 1004 CD LYS A 71 20.985 3.205 -1.044 1.00 0.00 C ATOM 1005 CE LYS A 71 20.780 3.333 -2.551 1.00 0.00 C ATOM 1006 NZ LYS A 71 22.056 3.211 -3.282 1.00 0.00 N ATOM 0 H LYS A 71 19.397 -1.151 0.319 1.00 0.00 H new ATOM 0 HA LYS A 71 17.745 1.177 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.322 0.896 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.226 0.747 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.842 3.001 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.553 3.152 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 71 21.260 4.169 -0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.802 2.516 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.089 2.562 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.321 4.295 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.881 3.303 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.706 3.962 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.481 2.282 -3.085 1.00 0.00 H new ATOM 1020 N ALA A 72 16.597 1.391 -1.685 1.00 0.00 N ATOM 1021 CA ALA A 72 15.888 1.525 -2.946 1.00 0.00 C ATOM 1022 C ALA A 72 15.833 2.990 -3.377 1.00 0.00 C ATOM 1023 O ALA A 72 16.214 3.880 -2.602 1.00 0.00 O ATOM 1024 CB ALA A 72 14.494 0.894 -2.838 1.00 0.00 C ATOM 0 H ALA A 72 16.230 1.987 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 72 16.429 0.986 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.972 1.000 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.591 -0.164 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.927 1.396 -2.054 1.00 0.00 H new ATOM 1030 N ILE A 73 15.397 3.228 -4.621 1.00 0.00 N ATOM 1031 CA ILE A 73 15.383 4.579 -5.213 1.00 0.00 C ATOM 1032 C ILE A 73 13.971 5.039 -5.606 1.00 0.00 C ATOM 1033 O ILE A 73 13.814 6.164 -6.069 1.00 0.00 O ATOM 1034 CB ILE A 73 16.376 4.706 -6.403 1.00 0.00 C ATOM 1035 CG1 ILE A 73 17.555 3.715 -6.376 1.00 0.00 C ATOM 1036 CG2 ILE A 73 16.957 6.131 -6.514 1.00 0.00 C ATOM 1037 CD1 ILE A 73 18.522 3.896 -5.198 1.00 0.00 C ATOM 0 H ILE A 73 15.047 2.500 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 73 15.726 5.255 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 73 15.762 4.464 -7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.158 2.700 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.115 3.813 -7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 73 17.646 6.178 -7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.146 6.843 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 73 17.490 6.379 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.318 3.155 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 73 18.954 4.896 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 73 17.982 3.766 -4.260 1.00 0.00 H new ATOM 1049 N GLU A 74 12.935 4.213 -5.446 1.00 0.00 N ATOM 1050 CA GLU A 74 11.569 4.548 -5.837 1.00 0.00 C ATOM 1051 C GLU A 74 10.564 4.006 -4.809 1.00 0.00 C ATOM 1052 O GLU A 74 10.966 3.249 -3.925 1.00 0.00 O ATOM 1053 CB GLU A 74 11.350 3.939 -7.228 1.00 0.00 C ATOM 1054 CG GLU A 74 11.861 4.838 -8.360 1.00 0.00 C ATOM 1055 CD GLU A 74 10.951 4.907 -9.596 1.00 0.00 C ATOM 1056 OE1 GLU A 74 9.843 4.327 -9.584 1.00 0.00 O ATOM 1057 OE2 GLU A 74 11.355 5.594 -10.562 1.00 0.00 O ATOM 0 H GLU A 74 13.025 3.283 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 74 11.416 5.627 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.855 2.975 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.286 3.750 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.995 5.847 -7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.844 4.483 -8.670 1.00 0.00 H new ATOM 1064 N PHE A 75 9.269 4.333 -4.900 1.00 0.00 N ATOM 1065 CA PHE A 75 8.227 3.634 -4.144 1.00 0.00 C ATOM 1066 C PHE A 75 6.839 3.937 -4.702 1.00 0.00 C ATOM 1067 O PHE A 75 6.186 4.893 -4.275 1.00 0.00 O ATOM 1068 CB PHE A 75 8.330 3.900 -2.616 1.00 0.00 C ATOM 1069 CG PHE A 75 8.244 2.653 -1.751 1.00 0.00 C ATOM 1070 CD1 PHE A 75 8.979 1.503 -2.105 1.00 0.00 C ATOM 1071 CD2 PHE A 75 7.498 2.643 -0.552 1.00 0.00 C ATOM 1072 CE1 PHE A 75 8.989 0.374 -1.280 1.00 0.00 C ATOM 1073 CE2 PHE A 75 7.545 1.522 0.291 1.00 0.00 C ATOM 1074 CZ PHE A 75 8.314 0.402 -0.053 1.00 0.00 C ATOM 0 H PHE A 75 8.918 5.083 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 75 8.393 2.564 -4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.274 4.404 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.533 4.584 -2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 75 9.542 1.494 -3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.893 3.496 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.516 -0.517 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.983 1.522 1.213 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.386 -0.436 0.625 1.00 0.00 H new ATOM 1084 N ALA A 76 6.382 3.131 -5.660 1.00 0.00 N ATOM 1085 CA ALA A 76 5.048 3.258 -6.218 1.00 0.00 C ATOM 1086 C ALA A 76 4.027 2.536 -5.347 1.00 0.00 C ATOM 1087 O ALA A 76 4.347 1.507 -4.744 1.00 0.00 O ATOM 1088 CB ALA A 76 5.016 2.736 -7.654 1.00 0.00 C ATOM 0 H ALA A 76 6.931 2.374 -6.067 1.00 0.00 H new ATOM 0 HA ALA A 76 4.781 4.315 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.008 2.839 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.711 3.311 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.306 1.685 -7.666 1.00 0.00 H new ATOM 1094 N VAL A 77 2.794 3.046 -5.360 1.00 0.00 N ATOM 1095 CA VAL A 77 1.588 2.388 -4.887 1.00 0.00 C ATOM 1096 C VAL A 77 0.485 2.754 -5.878 1.00 0.00 C ATOM 1097 O VAL A 77 0.217 3.941 -6.091 1.00 0.00 O ATOM 1098 CB VAL A 77 1.182 2.800 -3.455 1.00 0.00 C ATOM 1099 CG1 VAL A 77 0.328 1.699 -2.823 1.00 0.00 C ATOM 1100 CG2 VAL A 77 2.350 3.095 -2.513 1.00 0.00 C ATOM 0 H VAL A 77 2.607 3.981 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 77 1.762 1.313 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 77 0.631 3.733 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.044 1.994 -1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.569 1.545 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.900 0.772 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.965 3.375 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.974 2.206 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.945 3.914 -2.917 1.00 0.00 H new ATOM 1110 N SER A 78 -0.169 1.759 -6.474 1.00 0.00 N ATOM 1111 CA SER A 78 -1.317 1.971 -7.350 1.00 0.00 C ATOM 1112 C SER A 78 -2.354 0.875 -7.084 1.00 0.00 C ATOM 1113 O SER A 78 -1.999 -0.185 -6.562 1.00 0.00 O ATOM 1114 CB SER A 78 -0.884 1.997 -8.823 1.00 0.00 C ATOM 1115 OG SER A 78 0.383 2.606 -9.025 1.00 0.00 O ATOM 0 H SER A 78 0.085 0.778 -6.361 1.00 0.00 H new ATOM 0 HA SER A 78 -1.767 2.941 -7.137 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.854 0.976 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.634 2.532 -9.406 1.00 0.00 H new ATOM 0 HG SER A 78 0.604 2.591 -9.980 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.626 1.124 -7.398 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.742 0.289 -6.969 1.00 0.00 C ATOM 1123 C GLY A 79 -5.920 1.186 -6.593 1.00 0.00 C ATOM 1124 O GLY A 79 -6.041 2.312 -7.090 1.00 0.00 O ATOM 0 H GLY A 79 -3.911 1.923 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.029 -0.394 -7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.448 -0.323 -6.116 1.00 0.00 H new ATOM 1128 N GLY A 80 -6.780 0.700 -5.704 1.00 0.00 N ATOM 1129 CA GLY A 80 -8.007 1.360 -5.282 1.00 0.00 C ATOM 1130 C GLY A 80 -9.010 0.305 -4.847 1.00 0.00 C ATOM 1131 O GLY A 80 -8.641 -0.867 -4.719 1.00 0.00 O ATOM 0 H GLY A 80 -6.635 -0.197 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.802 2.047 -4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.416 1.954 -6.099 1.00 0.00 H new ATOM 1135 N VAL A 81 -10.256 0.707 -4.645 1.00 0.00 N ATOM 1136 CA VAL A 81 -11.413 -0.173 -4.517 1.00 0.00 C ATOM 1137 C VAL A 81 -12.485 0.244 -5.538 1.00 0.00 C ATOM 1138 O VAL A 81 -12.251 1.144 -6.348 1.00 0.00 O ATOM 1139 CB VAL A 81 -11.884 -0.267 -3.035 1.00 0.00 C ATOM 1140 CG1 VAL A 81 -11.252 -1.506 -2.408 1.00 0.00 C ATOM 1141 CG2 VAL A 81 -11.473 0.895 -2.110 1.00 0.00 C ATOM 0 H VAL A 81 -10.501 1.694 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.152 -1.201 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 81 -12.972 -0.270 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.570 -1.590 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.568 -2.393 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.166 -1.421 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.859 0.715 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.386 0.964 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.883 1.829 -2.495 1.00 0.00 H new ATOM 1266 N GLU A 91 -21.520 -1.671 5.171 1.00 0.00 N ATOM 1267 CA GLU A 91 -21.091 -0.405 5.755 1.00 0.00 C ATOM 1268 C GLU A 91 -20.010 0.261 4.898 1.00 0.00 C ATOM 1269 O GLU A 91 -19.257 -0.433 4.220 1.00 0.00 O ATOM 1270 CB GLU A 91 -20.527 -0.626 7.168 1.00 0.00 C ATOM 1271 CG GLU A 91 -21.538 -0.239 8.249 1.00 0.00 C ATOM 1272 CD GLU A 91 -20.875 0.190 9.556 1.00 0.00 C ATOM 1273 OE1 GLU A 91 -19.691 -0.130 9.822 1.00 0.00 O ATOM 1274 OE2 GLU A 91 -21.540 0.889 10.351 1.00 0.00 O ATOM 0 HA GLU A 91 -21.966 0.243 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.248 -1.673 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.618 -0.038 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -22.163 0.574 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -22.197 -1.085 8.442 1.00 0.00 H new ATOM 1281 N PRO A 92 -19.819 1.588 5.007 1.00 0.00 N ATOM 1282 CA PRO A 92 -18.696 2.240 4.356 1.00 0.00 C ATOM 1283 C PRO A 92 -17.364 1.913 5.055 1.00 0.00 C ATOM 1284 O PRO A 92 -17.341 1.360 6.165 1.00 0.00 O ATOM 1285 CB PRO A 92 -19.053 3.730 4.357 1.00 0.00 C ATOM 1286 CG PRO A 92 -19.903 3.883 5.620 1.00 0.00 C ATOM 1287 CD PRO A 92 -20.661 2.556 5.692 1.00 0.00 C ATOM 0 HA PRO A 92 -18.537 1.889 3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.163 4.358 4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.607 4.012 3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -19.286 4.043 6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -20.583 4.732 5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -20.837 2.260 6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -21.637 2.635 5.213 1.00 0.00 H new ATOM 1295 N MET A 93 -16.241 2.270 4.424 1.00 0.00 N ATOM 1296 CA MET A 93 -14.892 1.954 4.874 1.00 0.00 C ATOM 1297 C MET A 93 -13.967 3.151 4.660 1.00 0.00 C ATOM 1298 O MET A 93 -14.365 4.156 4.070 1.00 0.00 O ATOM 1299 CB MET A 93 -14.375 0.641 4.241 1.00 0.00 C ATOM 1300 CG MET A 93 -13.883 0.694 2.788 1.00 0.00 C ATOM 1301 SD MET A 93 -12.700 -0.626 2.353 1.00 0.00 S ATOM 1302 CE MET A 93 -11.358 -0.196 3.491 1.00 0.00 C ATOM 0 H MET A 93 -16.252 2.806 3.556 1.00 0.00 H new ATOM 0 HA MET A 93 -14.909 1.765 5.947 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.557 0.271 4.859 1.00 0.00 H new ATOM 0 HB3 MET A 93 -15.176 -0.096 4.297 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.743 0.630 2.122 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.413 1.661 2.610 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.428 -0.646 3.143 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.245 0.888 3.528 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.592 -0.571 4.488 1.00 0.00 H new ATOM 1312 N GLN A 94 -12.737 3.074 5.160 1.00 0.00 N ATOM 1313 CA GLN A 94 -11.753 4.148 5.087 1.00 0.00 C ATOM 1314 C GLN A 94 -10.365 3.551 4.892 1.00 0.00 C ATOM 1315 O GLN A 94 -10.105 2.422 5.316 1.00 0.00 O ATOM 1316 CB GLN A 94 -11.828 4.984 6.378 1.00 0.00 C ATOM 1317 CG GLN A 94 -12.826 6.139 6.230 1.00 0.00 C ATOM 1318 CD GLN A 94 -13.267 6.718 7.562 1.00 0.00 C ATOM 1319 OE1 GLN A 94 -12.696 7.696 8.032 1.00 0.00 O ATOM 1320 NE2 GLN A 94 -14.317 6.166 8.151 1.00 0.00 N ATOM 0 H GLN A 94 -12.389 2.243 5.638 1.00 0.00 H new ATOM 0 HA GLN A 94 -11.962 4.801 4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.125 4.347 7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.841 5.380 6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -12.373 6.928 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.702 5.787 5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -14.768 5.353 7.732 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -14.675 6.554 9.024 1.00 0.00 H new ATOM 1329 N TRP A 95 -9.470 4.324 4.275 1.00 0.00 N ATOM 1330 CA TRP A 95 -8.073 3.986 4.051 1.00 0.00 C ATOM 1331 C TRP A 95 -7.201 5.118 4.570 1.00 0.00 C ATOM 1332 O TRP A 95 -7.475 6.296 4.322 1.00 0.00 O ATOM 1333 CB TRP A 95 -7.780 3.796 2.551 1.00 0.00 C ATOM 1334 CG TRP A 95 -7.977 2.438 1.954 1.00 0.00 C ATOM 1335 CD1 TRP A 95 -8.445 1.338 2.585 1.00 0.00 C ATOM 1336 CD2 TRP A 95 -7.642 2.004 0.601 1.00 0.00 C ATOM 1337 NE1 TRP A 95 -8.432 0.267 1.718 1.00 0.00 N ATOM 1338 CE2 TRP A 95 -7.989 0.631 0.469 1.00 0.00 C ATOM 1339 CE3 TRP A 95 -7.072 2.629 -0.529 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 -7.809 -0.074 -0.726 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 -6.878 1.924 -1.732 1.00 0.00 C ATOM 1342 CH2 TRP A 95 -7.243 0.571 -1.836 1.00 0.00 C ATOM 0 H TRP A 95 -9.715 5.242 3.903 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.858 3.054 4.574 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -8.408 4.496 1.999 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -6.745 4.089 2.375 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.778 1.304 3.612 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.716 -0.679 1.972 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.779 3.667 -0.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -8.105 -1.111 -0.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -6.444 2.428 -2.583 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -7.090 0.034 -2.760 1.00 0.00 H new ATOM 1353 N VAL A 96 -6.086 4.749 5.185 1.00 0.00 N ATOM 1354 CA VAL A 96 -4.968 5.624 5.479 1.00 0.00 C ATOM 1355 C VAL A 96 -3.756 4.828 5.022 1.00 0.00 C ATOM 1356 O VAL A 96 -3.471 3.768 5.582 1.00 0.00 O ATOM 1357 CB VAL A 96 -4.950 6.005 6.976 1.00 0.00 C ATOM 1358 CG1 VAL A 96 -3.724 6.867 7.318 1.00 0.00 C ATOM 1359 CG2 VAL A 96 -6.226 6.774 7.365 1.00 0.00 C ATOM 0 H VAL A 96 -5.933 3.792 5.504 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.009 6.587 4.970 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.901 5.074 7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.740 7.118 8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.814 6.312 7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.747 7.783 6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.188 7.030 8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.295 7.687 6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.099 6.150 7.174 1.00 0.00 H new ATOM 1369 N VAL A 97 -3.095 5.259 3.951 1.00 0.00 N ATOM 1370 CA VAL A 97 -1.759 4.789 3.662 1.00 0.00 C ATOM 1371 C VAL A 97 -0.790 5.765 4.310 1.00 0.00 C ATOM 1372 O VAL A 97 -1.021 6.977 4.296 1.00 0.00 O ATOM 1373 CB VAL A 97 -1.534 4.637 2.150 1.00 0.00 C ATOM 1374 CG1 VAL A 97 -2.328 3.455 1.607 1.00 0.00 C ATOM 1375 CG2 VAL A 97 -1.856 5.876 1.301 1.00 0.00 C ATOM 0 H VAL A 97 -3.467 5.929 3.277 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.598 3.792 4.073 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.460 4.478 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.156 3.363 0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.006 2.541 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.390 3.615 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.662 5.658 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.905 6.142 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.230 6.709 1.621 1.00 0.00 H new ATOM 1385 N THR A 98 0.305 5.234 4.832 1.00 0.00 N ATOM 1386 CA THR A 98 1.364 5.997 5.460 1.00 0.00 C ATOM 1387 C THR A 98 2.661 5.521 4.811 1.00 0.00 C ATOM 1388 O THR A 98 2.799 4.341 4.490 1.00 0.00 O ATOM 1389 CB THR A 98 1.312 5.781 6.985 1.00 0.00 C ATOM 1390 OG1 THR A 98 -0.016 5.900 7.468 1.00 0.00 O ATOM 1391 CG2 THR A 98 2.155 6.819 7.729 1.00 0.00 C ATOM 0 H THR A 98 0.483 4.230 4.828 1.00 0.00 H new ATOM 0 HA THR A 98 1.271 7.073 5.316 1.00 0.00 H new ATOM 0 HB THR A 98 1.702 4.779 7.166 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.025 5.758 8.438 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.095 6.636 8.802 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.193 6.744 7.406 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.778 7.818 7.510 1.00 0.00 H new ATOM 1399 N VAL A 99 3.602 6.428 4.571 1.00 0.00 N ATOM 1400 CA VAL A 99 4.886 6.137 3.955 1.00 0.00 C ATOM 1401 C VAL A 99 5.934 6.596 4.958 1.00 0.00 C ATOM 1402 O VAL A 99 5.898 7.748 5.398 1.00 0.00 O ATOM 1403 CB VAL A 99 5.022 6.824 2.582 1.00 0.00 C ATOM 1404 CG1 VAL A 99 6.298 6.347 1.872 1.00 0.00 C ATOM 1405 CG2 VAL A 99 3.819 6.536 1.671 1.00 0.00 C ATOM 0 H VAL A 99 3.486 7.413 4.808 1.00 0.00 H new ATOM 0 HA VAL A 99 5.005 5.075 3.740 1.00 0.00 H new ATOM 0 HB VAL A 99 5.068 7.897 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.381 6.840 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.167 6.594 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.252 5.268 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.958 7.040 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.736 5.462 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.908 6.902 2.145 1.00 0.00 H new ATOM 1415 N TYR A 100 6.854 5.708 5.325 1.00 0.00 N ATOM 1416 CA TYR A 100 7.978 5.997 6.194 1.00 0.00 C ATOM 1417 C TYR A 100 9.233 5.857 5.347 1.00 0.00 C ATOM 1418 O TYR A 100 9.497 4.788 4.788 1.00 0.00 O ATOM 1419 CB TYR A 100 8.025 5.060 7.409 1.00 0.00 C ATOM 1420 CG TYR A 100 6.876 5.194 8.394 1.00 0.00 C ATOM 1421 CD1 TYR A 100 5.601 4.681 8.076 1.00 0.00 C ATOM 1422 CD2 TYR A 100 7.095 5.755 9.669 1.00 0.00 C ATOM 1423 CE1 TYR A 100 4.551 4.751 9.008 1.00 0.00 C ATOM 1424 CE2 TYR A 100 6.049 5.819 10.609 1.00 0.00 C ATOM 1425 CZ TYR A 100 4.768 5.320 10.281 1.00 0.00 C ATOM 1426 OH TYR A 100 3.777 5.321 11.217 1.00 0.00 O ATOM 0 H TYR A 100 6.832 4.737 5.012 1.00 0.00 H new ATOM 0 HA TYR A 100 7.888 7.004 6.601 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.052 4.031 7.050 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.959 5.236 7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.430 4.231 7.109 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.072 6.138 9.926 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.575 4.368 8.749 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.226 6.250 11.583 1.00 0.00 H new ATOM 0 HH TYR A 100 4.100 5.752 12.035 1.00 0.00 H new ATOM 1436 N LYS A 101 9.998 6.939 5.208 1.00 0.00 N ATOM 1437 CA LYS A 101 11.273 6.898 4.496 1.00 0.00 C ATOM 1438 C LYS A 101 12.341 6.321 5.431 1.00 0.00 C ATOM 1439 O LYS A 101 12.037 5.599 6.382 1.00 0.00 O ATOM 1440 CB LYS A 101 11.588 8.275 3.889 1.00 0.00 C ATOM 1441 CG LYS A 101 12.458 8.083 2.634 1.00 0.00 C ATOM 1442 CD LYS A 101 12.335 9.197 1.615 1.00 0.00 C ATOM 1443 CE LYS A 101 13.050 10.472 2.052 1.00 0.00 C ATOM 1444 NZ LYS A 101 12.286 11.707 1.759 1.00 0.00 N ATOM 0 H LYS A 101 9.755 7.857 5.581 1.00 0.00 H new ATOM 0 HA LYS A 101 11.237 6.229 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.664 8.793 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.109 8.897 4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.501 7.998 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.187 7.140 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.747 8.861 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.281 9.416 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.246 10.421 3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.018 10.526 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.827 12.535 2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.121 11.778 0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.373 11.676 2.256 1.00 0.00 H new ATOM 1458 N ASN A 102 13.611 6.622 5.174 1.00 0.00 N ATOM 1459 CA ASN A 102 14.694 6.452 6.124 1.00 0.00 C ATOM 1460 C ASN A 102 14.460 7.423 7.281 1.00 0.00 C ATOM 1461 O ASN A 102 14.965 8.541 7.283 1.00 0.00 O ATOM 1462 CB ASN A 102 16.078 6.600 5.455 1.00 0.00 C ATOM 1463 CG ASN A 102 16.431 7.963 4.857 1.00 0.00 C ATOM 1464 OD1 ASN A 102 17.156 8.757 5.449 1.00 0.00 O ATOM 1465 ND2 ASN A 102 16.008 8.254 3.638 1.00 0.00 N ATOM 0 H ASN A 102 13.917 6.999 4.277 1.00 0.00 H new ATOM 0 HA ASN A 102 14.698 5.437 6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 102 16.838 6.351 6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 102 16.149 5.856 4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 102 16.285 9.132 3.198 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.405 7.601 3.138 1.00 0.00 H new ATOM 1472 N GLY A 103 13.631 7.036 8.244 1.00 0.00 N ATOM 1473 CA GLY A 103 13.663 7.556 9.600 1.00 0.00 C ATOM 1474 C GLY A 103 12.299 7.820 10.226 1.00 0.00 C ATOM 1475 O GLY A 103 12.136 7.515 11.405 1.00 0.00 O ATOM 0 H GLY A 103 12.903 6.337 8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.204 6.850 10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.232 8.486 9.602 1.00 0.00 H new ATOM 1479 N LYS A 104 11.346 8.415 9.506 1.00 0.00 N ATOM 1480 CA LYS A 104 10.005 8.693 10.002 1.00 0.00 C ATOM 1481 C LYS A 104 8.990 8.715 8.869 1.00 0.00 C ATOM 1482 O LYS A 104 9.347 8.469 7.711 1.00 0.00 O ATOM 1483 CB LYS A 104 9.995 9.985 10.814 1.00 0.00 C ATOM 1484 CG LYS A 104 10.168 11.249 9.963 1.00 0.00 C ATOM 1485 CD LYS A 104 11.460 11.938 10.359 1.00 0.00 C ATOM 1486 CE LYS A 104 11.307 12.701 11.678 1.00 0.00 C ATOM 1487 NZ LYS A 104 12.583 13.275 12.134 1.00 0.00 N ATOM 0 H LYS A 104 11.492 8.721 8.544 1.00 0.00 H new ATOM 0 HA LYS A 104 9.707 7.884 10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.055 10.052 11.362 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.793 9.944 11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.189 10.990 8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.322 11.921 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.254 11.197 10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.762 12.628 9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.575 13.499 11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.918 12.029 12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.435 13.783 13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.275 12.512 12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.942 13.936 11.416 1.00 0.00 H new ATOM 1501 N GLU A 105 7.752 9.066 9.220 1.00 0.00 N ATOM 1502 CA GLU A 105 6.671 9.334 8.278 1.00 0.00 C ATOM 1503 C GLU A 105 7.147 10.423 7.312 1.00 0.00 C ATOM 1504 O GLU A 105 7.828 11.373 7.719 1.00 0.00 O ATOM 1505 CB GLU A 105 5.400 9.793 9.028 1.00 0.00 C ATOM 1506 CG GLU A 105 4.197 10.038 8.093 1.00 0.00 C ATOM 1507 CD GLU A 105 3.038 10.814 8.734 1.00 0.00 C ATOM 1508 OE1 GLU A 105 2.182 10.216 9.413 1.00 0.00 O ATOM 1509 OE2 GLU A 105 2.932 12.046 8.475 1.00 0.00 O ATOM 0 H GLU A 105 7.469 9.174 10.194 1.00 0.00 H new ATOM 0 HA GLU A 105 6.419 8.428 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.130 9.039 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.620 10.710 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.541 10.584 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.823 9.076 7.743 1.00 0.00 H new ATOM 1516 N ILE A 106 6.752 10.321 6.046 1.00 0.00 N ATOM 1517 CA ILE A 106 6.897 11.371 5.055 1.00 0.00 C ATOM 1518 C ILE A 106 5.583 11.687 4.331 1.00 0.00 C ATOM 1519 O ILE A 106 5.445 12.818 3.864 1.00 0.00 O ATOM 1520 CB ILE A 106 8.023 11.023 4.066 1.00 0.00 C ATOM 1521 CG1 ILE A 106 7.777 9.656 3.392 1.00 0.00 C ATOM 1522 CG2 ILE A 106 9.400 11.075 4.761 1.00 0.00 C ATOM 1523 CD1 ILE A 106 8.391 9.611 2.003 1.00 0.00 C ATOM 0 H ILE A 106 6.310 9.480 5.676 1.00 0.00 H new ATOM 0 HA ILE A 106 7.173 12.283 5.585 1.00 0.00 H new ATOM 0 HB ILE A 106 8.022 11.775 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.202 8.863 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 106 6.705 9.468 3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.180 10.825 4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.573 12.078 5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 106 9.421 10.358 5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.202 8.636 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.946 10.389 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 106 9.466 9.775 2.075 1.00 0.00 H new ATOM 1535 N GLU A 107 4.617 10.767 4.240 1.00 0.00 N ATOM 1536 CA GLU A 107 3.340 10.979 3.559 1.00 0.00 C ATOM 1537 C GLU A 107 2.288 10.107 4.232 1.00 0.00 C ATOM 1538 O GLU A 107 2.634 9.062 4.780 1.00 0.00 O ATOM 1539 CB GLU A 107 3.512 10.687 2.060 1.00 0.00 C ATOM 1540 CG GLU A 107 2.273 10.912 1.176 1.00 0.00 C ATOM 1541 CD GLU A 107 2.604 11.356 -0.261 1.00 0.00 C ATOM 1542 OE1 GLU A 107 2.837 10.523 -1.162 1.00 0.00 O ATOM 1543 OE2 GLU A 107 2.558 12.588 -0.499 1.00 0.00 O ATOM 0 H GLU A 107 4.705 9.836 4.647 1.00 0.00 H new ATOM 0 HA GLU A 107 3.005 12.013 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.321 11.311 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.829 9.650 1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.695 9.989 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.639 11.666 1.642 1.00 0.00 H new ATOM 1550 N LYS A 108 1.034 10.564 4.241 1.00 0.00 N ATOM 1551 CA LYS A 108 -0.066 9.988 5.015 1.00 0.00 C ATOM 1552 C LYS A 108 -1.364 10.212 4.231 1.00 0.00 C ATOM 1553 O LYS A 108 -2.304 10.862 4.693 1.00 0.00 O ATOM 1554 CB LYS A 108 0.006 10.621 6.416 1.00 0.00 C ATOM 1555 CG LYS A 108 -1.147 10.326 7.398 1.00 0.00 C ATOM 1556 CD LYS A 108 -1.857 11.644 7.743 1.00 0.00 C ATOM 1557 CE LYS A 108 -2.710 11.576 9.004 1.00 0.00 C ATOM 1558 NZ LYS A 108 -3.209 12.917 9.365 1.00 0.00 N ATOM 0 H LYS A 108 0.747 11.373 3.690 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.011 8.909 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.936 10.296 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.073 11.702 6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.852 9.624 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.761 9.858 8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.109 12.427 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.489 11.935 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.550 10.900 8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.122 11.167 9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.788 12.852 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.404 13.552 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.787 13.293 8.587 1.00 0.00 H new ATOM 1572 N LYS A 109 -1.387 9.763 2.974 1.00 0.00 N ATOM 1573 CA LYS A 109 -2.538 9.902 2.086 1.00 0.00 C ATOM 1574 C LYS A 109 -3.712 9.157 2.714 1.00 0.00 C ATOM 1575 O LYS A 109 -3.683 7.936 2.851 1.00 0.00 O ATOM 1576 CB LYS A 109 -2.179 9.397 0.676 1.00 0.00 C ATOM 1577 CG LYS A 109 -2.068 10.535 -0.357 1.00 0.00 C ATOM 1578 CD LYS A 109 -3.261 10.645 -1.316 1.00 0.00 C ATOM 1579 CE LYS A 109 -3.416 9.385 -2.179 1.00 0.00 C ATOM 1580 NZ LYS A 109 -4.430 9.533 -3.247 1.00 0.00 N ATOM 0 H LYS A 109 -0.596 9.287 2.541 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.826 10.946 1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.233 8.858 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.936 8.686 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.957 11.480 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.160 10.390 -0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -4.174 10.808 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.130 11.514 -1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.454 9.141 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.690 8.546 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.834 8.602 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.186 10.169 -2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.983 9.932 -4.097 1.00 0.00 H new ATOM 1594 N SER A 110 -4.732 9.898 3.125 1.00 0.00 N ATOM 1595 CA SER A 110 -5.836 9.417 3.932 1.00 0.00 C ATOM 1596 C SER A 110 -7.137 9.781 3.218 1.00 0.00 C ATOM 1597 O SER A 110 -7.221 10.857 2.622 1.00 0.00 O ATOM 1598 CB SER A 110 -5.682 10.003 5.344 1.00 0.00 C ATOM 1599 OG SER A 110 -4.930 11.213 5.414 1.00 0.00 O ATOM 0 H SER A 110 -4.813 10.888 2.894 1.00 0.00 H new ATOM 0 HA SER A 110 -5.848 8.334 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.675 10.185 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.204 9.258 5.980 1.00 0.00 H new ATOM 0 HG SER A 110 -3.978 11.014 5.291 1.00 0.00 H new ATOM 1605 N LEU A 111 -8.088 8.845 3.134 1.00 0.00 N ATOM 1606 CA LEU A 111 -9.283 8.966 2.318 1.00 0.00 C ATOM 1607 C LEU A 111 -10.512 8.563 3.134 1.00 0.00 C ATOM 1608 O LEU A 111 -10.445 8.292 4.336 1.00 0.00 O ATOM 1609 CB LEU A 111 -9.237 8.145 1.016 1.00 0.00 C ATOM 1610 CG LEU A 111 -7.933 8.085 0.219 1.00 0.00 C ATOM 1611 CD1 LEU A 111 -6.902 7.271 0.984 1.00 0.00 C ATOM 1612 CD2 LEU A 111 -8.205 7.371 -1.093 1.00 0.00 C ATOM 0 H LEU A 111 -8.039 7.965 3.647 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.342 10.013 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.518 7.121 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.009 8.536 0.354 1.00 0.00 H new ATOM 0 HG LEU A 111 -7.563 9.096 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.974 7.230 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.713 7.739 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.278 6.260 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.286 7.318 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.565 6.362 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.961 7.919 -1.656 1.00 0.00 H new ATOM 1624 N VAL A 112 -11.638 8.495 2.434 1.00 0.00 N ATOM 1625 CA VAL A 112 -12.971 8.160 2.924 1.00 0.00 C ATOM 1626 C VAL A 112 -13.687 7.453 1.780 1.00 0.00 C ATOM 1627 O VAL A 112 -13.926 8.085 0.743 1.00 0.00 O ATOM 1628 CB VAL A 112 -13.724 9.430 3.386 1.00 0.00 C ATOM 1629 CG1 VAL A 112 -15.192 9.141 3.738 1.00 0.00 C ATOM 1630 CG2 VAL A 112 -13.047 10.099 4.592 1.00 0.00 C ATOM 0 H VAL A 112 -11.644 8.687 1.432 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.923 7.510 3.798 1.00 0.00 H new ATOM 0 HB VAL A 112 -13.691 10.111 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -15.678 10.063 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -15.705 8.744 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -15.235 8.410 4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -13.611 10.986 4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -13.019 9.400 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.030 10.387 4.325 1.00 0.00 H new ATOM 1640 N PHE A 113 -13.955 6.153 1.922 1.00 0.00 N ATOM 1641 CA PHE A 113 -14.829 5.420 1.016 1.00 0.00 C ATOM 1642 C PHE A 113 -16.273 5.690 1.435 1.00 0.00 C ATOM 1643 O PHE A 113 -16.510 6.270 2.497 1.00 0.00 O ATOM 1644 CB PHE A 113 -14.497 3.922 1.086 1.00 0.00 C ATOM 1645 CG PHE A 113 -14.640 3.188 -0.220 1.00 0.00 C ATOM 1646 CD1 PHE A 113 -13.877 3.597 -1.329 1.00 0.00 C ATOM 1647 CD2 PHE A 113 -15.488 2.069 -0.317 1.00 0.00 C ATOM 1648 CE1 PHE A 113 -13.997 2.911 -2.545 1.00 0.00 C ATOM 1649 CE2 PHE A 113 -15.556 1.350 -1.517 1.00 0.00 C ATOM 1650 CZ PHE A 113 -14.822 1.780 -2.634 1.00 0.00 C ATOM 0 H PHE A 113 -13.568 5.581 2.673 1.00 0.00 H new ATOM 0 HA PHE A 113 -14.688 5.743 -0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -13.474 3.806 1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -15.147 3.453 1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -13.202 4.436 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -16.084 1.766 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -13.454 3.253 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -16.172 0.466 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 113 -14.893 1.238 -3.565 1.00 0.00 H new ATOM 1796 N ASP A 123 -8.269 6.737 -5.937 1.00 0.00 N ATOM 1797 CA ASP A 123 -7.779 6.196 -4.664 1.00 0.00 C ATOM 1798 C ASP A 123 -6.248 6.200 -4.610 1.00 0.00 C ATOM 1799 O ASP A 123 -5.643 7.047 -3.943 1.00 0.00 O ATOM 1800 CB ASP A 123 -8.261 4.756 -4.392 1.00 0.00 C ATOM 1801 CG ASP A 123 -9.692 4.569 -3.903 1.00 0.00 C ATOM 1802 OD1 ASP A 123 -10.175 5.394 -3.094 1.00 0.00 O ATOM 1803 OD2 ASP A 123 -10.273 3.515 -4.230 1.00 0.00 O ATOM 0 HA ASP A 123 -8.191 6.853 -3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.143 4.183 -5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.593 4.313 -3.653 1.00 0.00 H new ATOM 1808 N LEU A 124 -5.606 5.178 -5.189 1.00 0.00 N ATOM 1809 CA LEU A 124 -4.253 4.766 -4.830 1.00 0.00 C ATOM 1810 C LEU A 124 -3.337 5.244 -5.943 1.00 0.00 C ATOM 1811 O LEU A 124 -3.371 4.732 -7.065 1.00 0.00 O ATOM 1812 CB LEU A 124 -4.188 3.249 -4.609 1.00 0.00 C ATOM 1813 CG LEU A 124 -3.134 2.698 -3.630 1.00 0.00 C ATOM 1814 CD1 LEU A 124 -3.226 3.236 -2.201 1.00 0.00 C ATOM 1815 CD2 LEU A 124 -3.310 1.176 -3.512 1.00 0.00 C ATOM 0 H LEU A 124 -6.021 4.610 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.935 5.209 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.168 2.921 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.020 2.779 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.177 3.011 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.441 2.787 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.102 4.319 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -4.200 2.986 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.568 0.776 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.310 0.953 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.177 0.717 -4.492 1.00 0.00 H new ATOM 1827 N ASN A 125 -2.606 6.307 -5.652 1.00 0.00 N ATOM 1828 CA ASN A 125 -1.882 7.109 -6.625 1.00 0.00 C ATOM 1829 C ASN A 125 -0.663 7.705 -5.918 1.00 0.00 C ATOM 1830 O ASN A 125 -0.601 8.915 -5.679 1.00 0.00 O ATOM 1831 CB ASN A 125 -2.836 8.184 -7.197 1.00 0.00 C ATOM 1832 CG ASN A 125 -2.281 8.875 -8.439 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -2.842 8.753 -9.525 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -1.195 9.615 -8.321 1.00 0.00 N ATOM 0 H ASN A 125 -2.496 6.648 -4.697 1.00 0.00 H new ATOM 0 HA ASN A 125 -1.529 6.518 -7.470 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -3.791 7.720 -7.443 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -3.033 8.932 -6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -0.813 10.093 -9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.738 9.709 -7.414 1.00 0.00 H new ATOM 1841 N LEU A 126 0.284 6.854 -5.519 1.00 0.00 N ATOM 1842 CA LEU A 126 1.516 7.242 -4.827 1.00 0.00 C ATOM 1843 C LEU A 126 2.686 6.802 -5.701 1.00 0.00 C ATOM 1844 O LEU A 126 2.624 5.735 -6.321 1.00 0.00 O ATOM 1845 CB LEU A 126 1.579 6.581 -3.430 1.00 0.00 C ATOM 1846 CG LEU A 126 1.454 7.520 -2.218 1.00 0.00 C ATOM 1847 CD1 LEU A 126 0.226 8.436 -2.225 1.00 0.00 C ATOM 1848 CD2 LEU A 126 1.461 6.678 -0.937 1.00 0.00 C ATOM 0 H LEU A 126 0.214 5.848 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 126 1.552 8.320 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.784 5.838 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.524 6.044 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 126 2.310 8.192 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.230 9.057 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.253 9.073 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.680 7.830 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.373 7.333 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.621 5.983 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.394 6.118 -0.875 1.00 0.00 H new ATOM 1860 N TYR A 127 3.743 7.604 -5.775 1.00 0.00 N ATOM 1861 CA TYR A 127 4.933 7.293 -6.564 1.00 0.00 C ATOM 1862 C TYR A 127 6.085 8.152 -6.066 1.00 0.00 C ATOM 1863 O TYR A 127 6.071 9.370 -6.251 1.00 0.00 O ATOM 1864 CB TYR A 127 4.671 7.503 -8.068 1.00 0.00 C ATOM 1865 CG TYR A 127 5.894 7.387 -8.964 1.00 0.00 C ATOM 1866 CD1 TYR A 127 6.682 8.519 -9.251 1.00 0.00 C ATOM 1867 CD2 TYR A 127 6.240 6.146 -9.528 1.00 0.00 C ATOM 1868 CE1 TYR A 127 7.827 8.401 -10.059 1.00 0.00 C ATOM 1869 CE2 TYR A 127 7.387 6.020 -10.334 1.00 0.00 C ATOM 1870 CZ TYR A 127 8.205 7.143 -10.579 1.00 0.00 C ATOM 1871 OH TYR A 127 9.268 7.058 -11.421 1.00 0.00 O ATOM 0 H TYR A 127 3.800 8.497 -5.285 1.00 0.00 H new ATOM 0 HA TYR A 127 5.194 6.242 -6.439 1.00 0.00 H new ATOM 0 HB2 TYR A 127 3.930 6.774 -8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 127 4.230 8.490 -8.209 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.405 9.482 -8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 127 5.620 5.282 -9.341 1.00 0.00 H new ATOM 0 HE1 TYR A 127 8.420 9.276 -10.283 1.00 0.00 H new ATOM 0 HE2 TYR A 127 7.641 5.063 -10.765 1.00 0.00 H new ATOM 0 HH TYR A 127 10.072 6.827 -10.911 1.00 0.00 H new ATOM 1881 N TYR A 128 7.077 7.526 -5.439 1.00 0.00 N ATOM 1882 CA TYR A 128 8.345 8.148 -5.089 1.00 0.00 C ATOM 1883 C TYR A 128 9.393 7.804 -6.144 1.00 0.00 C ATOM 1884 O TYR A 128 9.350 6.711 -6.715 1.00 0.00 O ATOM 1885 CB TYR A 128 8.755 7.688 -3.686 1.00 0.00 C ATOM 1886 CG TYR A 128 8.017 8.497 -2.645 1.00 0.00 C ATOM 1887 CD1 TYR A 128 8.399 9.834 -2.431 1.00 0.00 C ATOM 1888 CD2 TYR A 128 6.861 7.981 -2.030 1.00 0.00 C ATOM 1889 CE1 TYR A 128 7.636 10.658 -1.594 1.00 0.00 C ATOM 1890 CE2 TYR A 128 6.084 8.799 -1.196 1.00 0.00 C ATOM 1891 CZ TYR A 128 6.480 10.137 -0.975 1.00 0.00 C ATOM 1892 OH TYR A 128 5.752 10.942 -0.170 1.00 0.00 O ATOM 0 H TYR A 128 7.017 6.548 -5.154 1.00 0.00 H new ATOM 0 HA TYR A 128 8.251 9.234 -5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.532 6.628 -3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.831 7.805 -3.555 1.00 0.00 H new ATOM 0 HD1 TYR A 128 9.282 10.226 -2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.572 6.954 -2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 128 7.930 11.683 -1.424 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.192 8.410 -0.728 1.00 0.00 H new ATOM 0 HH TYR A 128 5.301 11.624 -0.710 1.00 0.00 H new ATOM 1902 N ASN A 129 10.310 8.741 -6.395 1.00 0.00 N ATOM 1903 CA ASN A 129 11.511 8.595 -7.214 1.00 0.00 C ATOM 1904 C ASN A 129 12.504 9.666 -6.843 1.00 0.00 C ATOM 1905 O ASN A 129 12.059 10.651 -6.209 1.00 0.00 O ATOM 1906 CB ASN A 129 11.228 8.628 -8.730 1.00 0.00 C ATOM 1907 CG ASN A 129 10.948 9.989 -9.358 1.00 0.00 C ATOM 1908 OD1 ASN A 129 11.075 10.150 -10.565 1.00 0.00 O ATOM 1909 ND2 ASN A 129 10.510 10.980 -8.603 1.00 0.00 N ATOM 0 H ASN A 129 10.226 9.680 -6.006 1.00 0.00 H new ATOM 0 HA ASN A 129 11.922 7.607 -7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 129 12.084 8.189 -9.243 1.00 0.00 H new ATOM 0 HB3 ASN A 129 10.372 7.982 -8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 129 10.278 11.879 -9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 129 10.404 10.847 -7.597 1.00 0.00 H new