USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 565 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.146) USER MOD Set 2.1: A 30 CYS SG : rot -130:sc= -1.33 USER MOD Set 2.2: A 48 GLN : amide:sc= 0.266 K(o=-1.1,f=-1.6) USER MOD Set 3.1: A 8 TYR OH : rot -72:sc= 0.209 USER MOD Set 3.2: A 50 SER OG : rot -15:sc= 0.176 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 155:sc= 0.99 USER MOD Single : A 14 MET CE :methyl -128:sc= -0.107 (180deg=-1.3) USER MOD Single : A 18 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.9) USER MOD Single : A 19 SER OG : rot 22:sc= -4.12! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 32:sc= 1.15 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.701 USER MOD Single : A 35 ASN : amide:sc= -1.36 K(o=-1.4,f=0.0069!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.086) USER MOD Single : A 53 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.017) USER MOD Single : A 54 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.22) USER MOD Single : A 58 ASN : amide:sc= -1.73! C(o=-1.7!,f=-4.7!) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0124 USER MOD Single : A 75 ASN : amide:sc= -0.156 K(o=-0.16,f=0.88) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.59! USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 9.413 -6.100 7.722 1.00 1.00 N ATOM 106 CA SER A 7 9.762 -4.733 8.072 1.00 1.00 C ATOM 107 C SER A 7 11.228 -4.479 7.715 1.00 1.00 C ATOM 108 O SER A 7 11.914 -5.434 7.324 1.00 1.00 O ATOM 109 CB SER A 7 9.521 -4.456 9.557 1.00 1.00 C ATOM 110 OG SER A 7 8.293 -3.769 9.780 1.00 1.00 O ATOM 0 HA SER A 7 9.123 -4.056 7.505 1.00 1.00 H new ATOM 0 HB2 SER A 7 9.514 -5.398 10.105 1.00 1.00 H new ATOM 0 HB3 SER A 7 10.345 -3.863 9.953 1.00 1.00 H new ATOM 0 HG SER A 7 8.175 -3.613 10.740 1.00 1.00 H new ATOM 116 N TYR A 8 11.672 -3.217 7.855 1.00 1.00 N ATOM 117 CA TYR A 8 13.054 -2.909 7.529 1.00 1.00 C ATOM 118 C TYR A 8 13.980 -3.801 8.357 1.00 1.00 C ATOM 119 O TYR A 8 15.099 -4.068 7.894 1.00 1.00 O ATOM 120 CB TYR A 8 13.333 -1.413 7.767 1.00 1.00 C ATOM 121 CG TYR A 8 12.335 -0.471 7.109 1.00 1.00 C ATOM 122 CD1 TYR A 8 12.149 -0.491 5.707 1.00 1.00 C ATOM 123 CD2 TYR A 8 11.591 0.435 7.899 1.00 1.00 C ATOM 124 CE1 TYR A 8 11.226 0.386 5.101 1.00 1.00 C ATOM 125 CE2 TYR A 8 10.667 1.312 7.293 1.00 1.00 C ATOM 126 CZ TYR A 8 10.483 1.288 5.893 1.00 1.00 C ATOM 127 OH TYR A 8 9.586 2.139 5.311 1.00 1.00 O ATOM 0 H TYR A 8 11.111 -2.429 8.179 1.00 1.00 H new ATOM 0 HA TYR A 8 13.243 -3.111 6.475 1.00 1.00 H new ATOM 0 HB2 TYR A 8 13.338 -1.224 8.840 1.00 1.00 H new ATOM 0 HB3 TYR A 8 14.332 -1.180 7.397 1.00 1.00 H new ATOM 0 HD1 TYR A 8 12.716 -1.180 5.099 1.00 1.00 H new ATOM 0 HD2 TYR A 8 11.730 0.456 8.970 1.00 1.00 H new ATOM 0 HE1 TYR A 8 11.087 0.368 4.030 1.00 1.00 H new ATOM 0 HE2 TYR A 8 10.100 2.002 7.900 1.00 1.00 H new ATOM 0 HH TYR A 8 10.068 2.837 4.821 1.00 1.00 H new ATOM 137 N ILE A 9 13.514 -4.229 9.545 1.00 1.00 N ATOM 138 CA ILE A 9 14.306 -5.072 10.423 1.00 1.00 C ATOM 139 C ILE A 9 14.249 -6.517 9.924 1.00 1.00 C ATOM 140 O ILE A 9 14.808 -7.396 10.596 1.00 1.00 O ATOM 141 CB ILE A 9 13.855 -4.905 11.876 1.00 1.00 C ATOM 142 CG1 ILE A 9 12.722 -5.877 12.213 1.00 1.00 C ATOM 143 CG2 ILE A 9 13.471 -3.454 12.167 1.00 1.00 C ATOM 144 CD1 ILE A 9 11.474 -5.575 11.380 1.00 1.00 C ATOM 0 H ILE A 9 12.589 -3.997 9.908 1.00 1.00 H new ATOM 0 HA ILE A 9 15.352 -4.768 10.401 1.00 1.00 H new ATOM 0 HB ILE A 9 14.695 -5.152 12.525 1.00 1.00 H new ATOM 0 HG12 ILE A 9 13.049 -6.900 12.027 1.00 1.00 H new ATOM 0 HG13 ILE A 9 12.481 -5.807 13.274 1.00 1.00 H new ATOM 0 HG21 ILE A 9 13.154 -3.363 13.206 1.00 1.00 H new ATOM 0 HG22 ILE A 9 14.331 -2.808 11.992 1.00 1.00 H new ATOM 0 HG23 ILE A 9 12.653 -3.155 11.511 1.00 1.00 H new ATOM 0 HD11 ILE A 9 10.684 -6.280 11.639 1.00 1.00 H new ATOM 0 HD12 ILE A 9 11.136 -4.560 11.586 1.00 1.00 H new ATOM 0 HD13 ILE A 9 11.712 -5.670 10.321 1.00 1.00 H new ATOM 156 N ALA A 10 13.585 -6.731 8.774 1.00 1.00 N ATOM 157 CA ALA A 10 13.458 -8.057 8.193 1.00 1.00 C ATOM 158 C ALA A 10 14.116 -8.069 6.812 1.00 1.00 C ATOM 159 O ALA A 10 14.770 -9.069 6.479 1.00 1.00 O ATOM 160 CB ALA A 10 11.980 -8.380 7.966 1.00 1.00 C ATOM 0 H ALA A 10 13.131 -5.993 8.236 1.00 1.00 H new ATOM 0 HA ALA A 10 13.923 -8.776 8.868 1.00 1.00 H new ATOM 0 HB1 ALA A 10 11.888 -9.375 7.530 1.00 1.00 H new ATOM 0 HB2 ALA A 10 11.451 -8.350 8.918 1.00 1.00 H new ATOM 0 HB3 ALA A 10 11.547 -7.645 7.287 1.00 1.00 H new ATOM 166 N LEU A 11 13.935 -6.977 6.048 1.00 1.00 N ATOM 167 CA LEU A 11 14.507 -6.864 4.718 1.00 1.00 C ATOM 168 C LEU A 11 16.026 -6.719 4.831 1.00 1.00 C ATOM 169 O LEU A 11 16.742 -7.447 4.129 1.00 1.00 O ATOM 170 CB LEU A 11 13.837 -5.728 3.941 1.00 1.00 C ATOM 171 CG LEU A 11 12.379 -5.959 3.540 1.00 1.00 C ATOM 172 CD1 LEU A 11 12.224 -7.272 2.770 1.00 1.00 C ATOM 173 CD2 LEU A 11 11.458 -5.897 4.760 1.00 1.00 C ATOM 0 H LEU A 11 13.393 -6.164 6.341 1.00 1.00 H new ATOM 0 HA LEU A 11 14.315 -7.770 4.143 1.00 1.00 H new ATOM 0 HB2 LEU A 11 13.888 -4.822 4.545 1.00 1.00 H new ATOM 0 HB3 LEU A 11 14.417 -5.541 3.037 1.00 1.00 H new ATOM 0 HG LEU A 11 12.078 -5.155 2.869 1.00 1.00 H new ATOM 0 HD11 LEU A 11 11.178 -7.412 2.497 1.00 1.00 H new ATOM 0 HD12 LEU A 11 12.834 -7.238 1.867 1.00 1.00 H new ATOM 0 HD13 LEU A 11 12.550 -8.102 3.397 1.00 1.00 H new ATOM 0 HD21 LEU A 11 10.427 -6.064 4.447 1.00 1.00 H new ATOM 0 HD22 LEU A 11 11.749 -6.666 5.475 1.00 1.00 H new ATOM 0 HD23 LEU A 11 11.540 -4.916 5.228 1.00 1.00 H new ATOM 185 N ILE A 12 16.480 -5.796 5.698 1.00 1.00 N ATOM 186 CA ILE A 12 17.899 -5.561 5.899 1.00 1.00 C ATOM 187 C ILE A 12 18.518 -6.770 6.603 1.00 1.00 C ATOM 188 O ILE A 12 19.630 -7.168 6.224 1.00 1.00 O ATOM 189 CB ILE A 12 18.124 -4.239 6.637 1.00 1.00 C ATOM 190 CG1 ILE A 12 17.355 -3.099 5.966 1.00 1.00 C ATOM 191 CG2 ILE A 12 19.617 -3.928 6.762 1.00 1.00 C ATOM 192 CD1 ILE A 12 17.674 -3.028 4.471 1.00 1.00 C ATOM 0 H ILE A 12 15.873 -5.205 6.266 1.00 1.00 H new ATOM 0 HA ILE A 12 18.406 -5.456 4.940 1.00 1.00 H new ATOM 0 HB ILE A 12 17.731 -4.341 7.648 1.00 1.00 H new ATOM 0 HG12 ILE A 12 16.284 -3.246 6.106 1.00 1.00 H new ATOM 0 HG13 ILE A 12 17.612 -2.153 6.442 1.00 1.00 H new ATOM 0 HG21 ILE A 12 19.749 -2.984 7.290 1.00 1.00 H new ATOM 0 HG22 ILE A 12 20.110 -4.726 7.317 1.00 1.00 H new ATOM 0 HG23 ILE A 12 20.057 -3.852 5.768 1.00 1.00 H new ATOM 0 HD11 ILE A 12 17.115 -2.209 4.018 1.00 1.00 H new ATOM 0 HD12 ILE A 12 18.742 -2.857 4.335 1.00 1.00 H new ATOM 0 HD13 ILE A 12 17.393 -3.967 3.994 1.00 1.00 H new ATOM 204 N THR A 13 17.799 -7.323 7.596 1.00 1.00 N ATOM 205 CA THR A 13 18.274 -8.475 8.342 1.00 1.00 C ATOM 206 C THR A 13 18.757 -9.547 7.364 1.00 1.00 C ATOM 207 O THR A 13 19.743 -10.231 7.676 1.00 1.00 O ATOM 208 CB THR A 13 17.153 -8.956 9.266 1.00 1.00 C ATOM 209 OG1 THR A 13 17.120 -7.984 10.307 1.00 1.00 O ATOM 210 CG2 THR A 13 17.505 -10.260 9.985 1.00 1.00 C ATOM 0 H THR A 13 16.885 -6.981 7.892 1.00 1.00 H new ATOM 0 HA THR A 13 19.127 -8.220 8.972 1.00 1.00 H new ATOM 0 HB THR A 13 16.241 -9.096 8.686 1.00 1.00 H new ATOM 0 HG1 THR A 13 16.225 -7.962 10.706 1.00 1.00 H new ATOM 0 HG21 THR A 13 16.676 -10.557 10.627 1.00 1.00 H new ATOM 0 HG22 THR A 13 17.692 -11.042 9.249 1.00 1.00 H new ATOM 0 HG23 THR A 13 18.399 -10.111 10.591 1.00 1.00 H new ATOM 218 N MET A 14 18.065 -9.671 6.217 1.00 1.00 N ATOM 219 CA MET A 14 18.421 -10.651 5.205 1.00 1.00 C ATOM 220 C MET A 14 19.536 -10.085 4.323 1.00 1.00 C ATOM 221 O MET A 14 20.327 -10.878 3.791 1.00 1.00 O ATOM 222 CB MET A 14 17.206 -10.987 4.338 1.00 1.00 C ATOM 223 CG MET A 14 16.891 -12.483 4.391 1.00 1.00 C ATOM 224 SD MET A 14 16.369 -13.068 2.752 1.00 1.00 S ATOM 225 CE MET A 14 17.967 -13.051 1.888 1.00 1.00 C ATOM 0 H MET A 14 17.256 -9.098 5.978 1.00 1.00 H new ATOM 0 HA MET A 14 18.764 -11.561 5.698 1.00 1.00 H new ATOM 0 HB2 MET A 14 16.342 -10.418 4.680 1.00 1.00 H new ATOM 0 HB3 MET A 14 17.397 -10.688 3.307 1.00 1.00 H new ATOM 0 HG2 MET A 14 17.770 -13.036 4.720 1.00 1.00 H new ATOM 0 HG3 MET A 14 16.104 -12.671 5.121 1.00 1.00 H new ATOM 0 HE1 MET A 14 17.872 -12.491 0.958 1.00 1.00 H new ATOM 0 HE2 MET A 14 18.718 -12.578 2.521 1.00 1.00 H new ATOM 0 HE3 MET A 14 18.271 -14.074 1.666 1.00 1.00 H new ATOM 235 N ALA A 15 19.577 -8.748 4.189 1.00 1.00 N ATOM 236 CA ALA A 15 20.587 -8.086 3.379 1.00 1.00 C ATOM 237 C ALA A 15 21.906 -8.040 4.154 1.00 1.00 C ATOM 238 O ALA A 15 22.959 -8.257 3.538 1.00 1.00 O ATOM 239 CB ALA A 15 20.180 -6.631 3.137 1.00 1.00 C ATOM 0 H ALA A 15 18.916 -8.113 4.636 1.00 1.00 H new ATOM 0 HA ALA A 15 20.689 -8.631 2.441 1.00 1.00 H new ATOM 0 HB1 ALA A 15 20.939 -6.137 2.530 1.00 1.00 H new ATOM 0 HB2 ALA A 15 19.223 -6.603 2.616 1.00 1.00 H new ATOM 0 HB3 ALA A 15 20.088 -6.115 4.093 1.00 1.00 H new ATOM 245 N ILE A 16 21.823 -7.761 5.467 1.00 1.00 N ATOM 246 CA ILE A 16 23.001 -7.688 6.314 1.00 1.00 C ATOM 247 C ILE A 16 23.697 -9.050 6.332 1.00 1.00 C ATOM 248 O ILE A 16 24.919 -9.092 6.129 1.00 1.00 O ATOM 249 CB ILE A 16 22.630 -7.168 7.705 1.00 1.00 C ATOM 250 CG1 ILE A 16 23.799 -6.409 8.336 1.00 1.00 C ATOM 251 CG2 ILE A 16 22.134 -8.305 8.600 1.00 1.00 C ATOM 252 CD1 ILE A 16 23.980 -5.038 7.681 1.00 1.00 C ATOM 0 H ILE A 16 20.945 -7.584 5.955 1.00 1.00 H new ATOM 0 HA ILE A 16 23.716 -6.970 5.911 1.00 1.00 H new ATOM 0 HB ILE A 16 21.808 -6.461 7.598 1.00 1.00 H new ATOM 0 HG12 ILE A 16 23.622 -6.285 9.404 1.00 1.00 H new ATOM 0 HG13 ILE A 16 24.715 -6.991 8.230 1.00 1.00 H new ATOM 0 HG21 ILE A 16 21.877 -7.909 9.582 1.00 1.00 H new ATOM 0 HG22 ILE A 16 21.252 -8.763 8.151 1.00 1.00 H new ATOM 0 HG23 ILE A 16 22.919 -9.054 8.705 1.00 1.00 H new ATOM 0 HD11 ILE A 16 24.817 -4.519 8.148 1.00 1.00 H new ATOM 0 HD12 ILE A 16 24.180 -5.167 6.617 1.00 1.00 H new ATOM 0 HD13 ILE A 16 23.071 -4.450 7.810 1.00 1.00 H new ATOM 264 N LEU A 17 22.918 -10.121 6.572 1.00 1.00 N ATOM 265 CA LEU A 17 23.456 -11.470 6.616 1.00 1.00 C ATOM 266 C LEU A 17 24.013 -11.837 5.239 1.00 1.00 C ATOM 267 O LEU A 17 24.974 -12.618 5.181 1.00 1.00 O ATOM 268 CB LEU A 17 22.402 -12.450 7.134 1.00 1.00 C ATOM 269 CG LEU A 17 21.382 -12.944 6.106 1.00 1.00 C ATOM 270 CD1 LEU A 17 21.934 -14.128 5.310 1.00 1.00 C ATOM 271 CD2 LEU A 17 20.046 -13.275 6.774 1.00 1.00 C ATOM 0 H LEU A 17 21.913 -10.065 6.737 1.00 1.00 H new ATOM 0 HA LEU A 17 24.285 -11.527 7.321 1.00 1.00 H new ATOM 0 HB2 LEU A 17 22.915 -13.316 7.553 1.00 1.00 H new ATOM 0 HB3 LEU A 17 21.862 -11.973 7.952 1.00 1.00 H new ATOM 0 HG LEU A 17 21.196 -12.138 5.396 1.00 1.00 H new ATOM 0 HD11 LEU A 17 21.189 -14.459 4.587 1.00 1.00 H new ATOM 0 HD12 LEU A 17 22.839 -13.823 4.785 1.00 1.00 H new ATOM 0 HD13 LEU A 17 22.168 -14.947 5.991 1.00 1.00 H new ATOM 0 HD21 LEU A 17 19.339 -13.624 6.021 1.00 1.00 H new ATOM 0 HD22 LEU A 17 20.196 -14.055 7.520 1.00 1.00 H new ATOM 0 HD23 LEU A 17 19.650 -12.382 7.258 1.00 1.00 H new ATOM 283 N GLN A 18 23.409 -11.276 4.176 1.00 1.00 N ATOM 284 CA GLN A 18 23.843 -11.543 2.815 1.00 1.00 C ATOM 285 C GLN A 18 25.353 -11.322 2.712 1.00 1.00 C ATOM 286 O GLN A 18 25.973 -11.898 1.806 1.00 1.00 O ATOM 287 CB GLN A 18 23.091 -10.673 1.805 1.00 1.00 C ATOM 288 CG GLN A 18 23.886 -9.409 1.472 1.00 1.00 C ATOM 289 CD GLN A 18 24.739 -9.612 0.218 1.00 1.00 C ATOM 290 OE1 GLN A 18 25.937 -9.834 0.280 1.00 1.00 O ATOM 291 NE2 GLN A 18 24.057 -9.525 -0.920 1.00 1.00 N ATOM 0 H GLN A 18 22.618 -10.635 4.246 1.00 1.00 H new ATOM 0 HA GLN A 18 23.615 -12.581 2.573 1.00 1.00 H new ATOM 0 HB2 GLN A 18 22.908 -11.243 0.894 1.00 1.00 H new ATOM 0 HB3 GLN A 18 22.117 -10.398 2.210 1.00 1.00 H new ATOM 0 HG2 GLN A 18 23.202 -8.574 1.319 1.00 1.00 H new ATOM 0 HG3 GLN A 18 24.527 -9.146 2.313 1.00 1.00 H new ATOM 0 HE21 GLN A 18 23.055 -9.337 -0.901 1.00 1.00 H new ATOM 0 HE22 GLN A 18 24.536 -9.647 -1.812 1.00 1.00 H new ATOM 300 N SER A 19 25.906 -10.505 3.627 1.00 1.00 N ATOM 301 CA SER A 19 27.329 -10.213 3.639 1.00 1.00 C ATOM 302 C SER A 19 27.939 -10.723 4.946 1.00 1.00 C ATOM 303 O SER A 19 28.183 -9.901 5.842 1.00 1.00 O ATOM 304 CB SER A 19 27.594 -8.715 3.478 1.00 1.00 C ATOM 305 OG SER A 19 26.657 -7.925 4.204 1.00 1.00 O ATOM 0 H SER A 19 25.377 -10.040 4.365 1.00 1.00 H new ATOM 0 HA SER A 19 27.794 -10.721 2.794 1.00 1.00 H new ATOM 0 HB2 SER A 19 28.603 -8.487 3.821 1.00 1.00 H new ATOM 0 HB3 SER A 19 27.549 -8.451 2.422 1.00 1.00 H new ATOM 0 HG SER A 19 26.263 -8.463 4.923 1.00 1.00 H new ATOM 311 N PRO A 20 28.169 -12.045 5.029 1.00 1.00 N ATOM 312 CA PRO A 20 28.743 -12.689 6.198 1.00 1.00 C ATOM 313 C PRO A 20 30.245 -12.416 6.292 1.00 1.00 C ATOM 314 O PRO A 20 30.973 -13.288 6.790 1.00 1.00 O ATOM 315 CB PRO A 20 28.416 -14.164 6.036 1.00 1.00 C ATOM 316 CG PRO A 20 28.081 -14.358 4.566 1.00 1.00 C ATOM 317 CD PRO A 20 27.867 -12.984 3.952 1.00 1.00 C ATOM 0 HA PRO A 20 28.334 -12.305 7.133 1.00 1.00 H new ATOM 0 HB2 PRO A 20 29.262 -14.786 6.329 1.00 1.00 H new ATOM 0 HB3 PRO A 20 27.576 -14.450 6.669 1.00 1.00 H new ATOM 0 HG2 PRO A 20 28.889 -14.882 4.056 1.00 1.00 H new ATOM 0 HG3 PRO A 20 27.185 -14.969 4.456 1.00 1.00 H new ATOM 0 HD2 PRO A 20 28.522 -12.827 3.095 1.00 1.00 H new ATOM 0 HD3 PRO A 20 26.843 -12.864 3.597 1.00 1.00 H new ATOM 325 N GLN A 21 30.673 -11.232 5.819 1.00 1.00 N ATOM 326 CA GLN A 21 32.075 -10.851 5.850 1.00 1.00 C ATOM 327 C GLN A 21 32.217 -9.499 6.552 1.00 1.00 C ATOM 328 O GLN A 21 32.408 -9.488 7.777 1.00 1.00 O ATOM 329 CB GLN A 21 32.676 -10.805 4.444 1.00 1.00 C ATOM 330 CG GLN A 21 34.083 -10.205 4.468 1.00 1.00 C ATOM 331 CD GLN A 21 35.133 -11.254 4.097 1.00 1.00 C ATOM 332 OE1 GLN A 21 35.458 -11.463 2.940 1.00 1.00 O ATOM 333 NE2 GLN A 21 35.643 -11.902 5.141 1.00 1.00 N ATOM 0 H GLN A 21 30.057 -10.528 5.412 1.00 1.00 H new ATOM 0 HA GLN A 21 32.630 -11.605 6.408 1.00 1.00 H new ATOM 0 HB2 GLN A 21 32.713 -11.812 4.028 1.00 1.00 H new ATOM 0 HB3 GLN A 21 32.036 -10.213 3.790 1.00 1.00 H new ATOM 0 HG2 GLN A 21 34.137 -9.369 3.771 1.00 1.00 H new ATOM 0 HG3 GLN A 21 34.296 -9.807 5.460 1.00 1.00 H new ATOM 0 HE21 GLN A 21 35.327 -11.678 6.084 1.00 1.00 H new ATOM 0 HE22 GLN A 21 36.350 -12.623 4.998 1.00 1.00 H new ATOM 342 N LYS A 22 32.123 -8.405 5.775 1.00 1.00 N ATOM 343 CA LYS A 22 32.241 -7.063 6.319 1.00 1.00 C ATOM 344 C LYS A 22 32.256 -6.052 5.171 1.00 1.00 C ATOM 345 O LYS A 22 33.030 -5.086 5.246 1.00 1.00 O ATOM 346 CB LYS A 22 33.456 -6.963 7.243 1.00 1.00 C ATOM 347 CG LYS A 22 34.721 -7.459 6.539 1.00 1.00 C ATOM 348 CD LYS A 22 35.854 -6.437 6.664 1.00 1.00 C ATOM 349 CE LYS A 22 36.699 -6.705 7.911 1.00 1.00 C ATOM 350 NZ LYS A 22 38.088 -7.014 7.535 1.00 1.00 N ATOM 0 H LYS A 22 31.965 -8.437 4.768 1.00 1.00 H new ATOM 0 HA LYS A 22 31.378 -6.827 6.941 1.00 1.00 H new ATOM 0 HB2 LYS A 22 33.593 -5.929 7.559 1.00 1.00 H new ATOM 0 HB3 LYS A 22 33.282 -7.552 8.144 1.00 1.00 H new ATOM 0 HG2 LYS A 22 35.034 -8.409 6.972 1.00 1.00 H new ATOM 0 HG3 LYS A 22 34.507 -7.644 5.486 1.00 1.00 H new ATOM 0 HD2 LYS A 22 36.486 -6.479 5.777 1.00 1.00 H new ATOM 0 HD3 LYS A 22 35.437 -5.431 6.712 1.00 1.00 H new ATOM 0 HE2 LYS A 22 36.678 -5.834 8.566 1.00 1.00 H new ATOM 0 HE3 LYS A 22 36.275 -7.537 8.473 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 38.648 -7.193 8.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 38.104 -7.859 6.928 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 38.495 -6.209 7.018 1.00 1.00 H new ATOM 364 N LYS A 23 31.415 -6.289 4.148 1.00 1.00 N ATOM 365 CA LYS A 23 31.334 -5.405 2.998 1.00 1.00 C ATOM 366 C LYS A 23 29.879 -5.314 2.532 1.00 1.00 C ATOM 367 O LYS A 23 29.474 -6.139 1.700 1.00 1.00 O ATOM 368 CB LYS A 23 32.302 -5.859 1.904 1.00 1.00 C ATOM 369 CG LYS A 23 33.633 -5.111 2.004 1.00 1.00 C ATOM 370 CD LYS A 23 34.794 -5.990 1.535 1.00 1.00 C ATOM 371 CE LYS A 23 35.422 -6.741 2.710 1.00 1.00 C ATOM 372 NZ LYS A 23 36.748 -7.263 2.339 1.00 1.00 N ATOM 0 H LYS A 23 30.785 -7.090 4.106 1.00 1.00 H new ATOM 0 HA LYS A 23 31.646 -4.397 3.270 1.00 1.00 H new ATOM 0 HB2 LYS A 23 32.476 -6.932 1.990 1.00 1.00 H new ATOM 0 HB3 LYS A 23 31.856 -5.686 0.924 1.00 1.00 H new ATOM 0 HG2 LYS A 23 33.591 -4.205 1.399 1.00 1.00 H new ATOM 0 HG3 LYS A 23 33.802 -4.799 3.035 1.00 1.00 H new ATOM 0 HD2 LYS A 23 34.438 -6.703 0.792 1.00 1.00 H new ATOM 0 HD3 LYS A 23 35.549 -5.372 1.048 1.00 1.00 H new ATOM 0 HE2 LYS A 23 35.514 -6.075 3.568 1.00 1.00 H new ATOM 0 HE3 LYS A 23 34.773 -7.563 3.013 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 37.160 -7.770 3.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 36.652 -7.915 1.534 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 37.370 -6.473 2.072 1.00 1.00 H new ATOM 386 N LEU A 24 29.136 -4.330 3.068 1.00 1.00 N ATOM 387 CA LEU A 24 27.741 -4.135 2.709 1.00 1.00 C ATOM 388 C LEU A 24 27.628 -2.959 1.738 1.00 1.00 C ATOM 389 O LEU A 24 27.717 -1.809 2.191 1.00 1.00 O ATOM 390 CB LEU A 24 26.882 -3.980 3.966 1.00 1.00 C ATOM 391 CG LEU A 24 25.929 -5.137 4.273 1.00 1.00 C ATOM 392 CD1 LEU A 24 26.312 -5.829 5.583 1.00 1.00 C ATOM 393 CD2 LEU A 24 24.475 -4.663 4.280 1.00 1.00 C ATOM 0 H LEU A 24 29.490 -3.661 3.752 1.00 1.00 H new ATOM 0 HA LEU A 24 27.354 -5.013 2.192 1.00 1.00 H new ATOM 0 HB2 LEU A 24 27.545 -3.845 4.821 1.00 1.00 H new ATOM 0 HB3 LEU A 24 26.294 -3.067 3.870 1.00 1.00 H new ATOM 0 HG LEU A 24 26.023 -5.877 3.478 1.00 1.00 H new ATOM 0 HD11 LEU A 24 25.619 -6.648 5.778 1.00 1.00 H new ATOM 0 HD12 LEU A 24 27.325 -6.222 5.504 1.00 1.00 H new ATOM 0 HD13 LEU A 24 26.265 -5.111 6.401 1.00 1.00 H new ATOM 0 HD21 LEU A 24 23.819 -5.505 4.501 1.00 1.00 H new ATOM 0 HD22 LEU A 24 24.347 -3.894 5.041 1.00 1.00 H new ATOM 0 HD23 LEU A 24 24.222 -4.252 3.303 1.00 1.00 H new ATOM 405 N THR A 25 27.437 -3.264 0.442 1.00 1.00 N ATOM 406 CA THR A 25 27.313 -2.239 -0.581 1.00 1.00 C ATOM 407 C THR A 25 25.843 -1.839 -0.720 1.00 1.00 C ATOM 408 O THR A 25 25.066 -2.631 -1.274 1.00 1.00 O ATOM 409 CB THR A 25 27.924 -2.769 -1.879 1.00 1.00 C ATOM 410 OG1 THR A 25 27.148 -3.924 -2.183 1.00 1.00 O ATOM 411 CG2 THR A 25 29.340 -3.313 -1.681 1.00 1.00 C ATOM 0 H THR A 25 27.367 -4.218 0.089 1.00 1.00 H new ATOM 0 HA THR A 25 27.858 -1.334 -0.311 1.00 1.00 H new ATOM 0 HB THR A 25 27.942 -1.972 -2.622 1.00 1.00 H new ATOM 0 HG1 THR A 25 26.230 -3.794 -1.865 1.00 1.00 H new ATOM 0 HG21 THR A 25 29.727 -3.676 -2.633 1.00 1.00 H new ATOM 0 HG22 THR A 25 29.986 -2.519 -1.306 1.00 1.00 H new ATOM 0 HG23 THR A 25 29.318 -4.132 -0.962 1.00 1.00 H new ATOM 419 N LEU A 26 25.496 -0.638 -0.223 1.00 1.00 N ATOM 420 CA LEU A 26 24.132 -0.141 -0.291 1.00 1.00 C ATOM 421 C LEU A 26 23.618 -0.274 -1.726 1.00 1.00 C ATOM 422 O LEU A 26 22.449 -0.648 -1.901 1.00 1.00 O ATOM 423 CB LEU A 26 24.053 1.283 0.261 1.00 1.00 C ATOM 424 CG LEU A 26 22.652 1.793 0.605 1.00 1.00 C ATOM 425 CD1 LEU A 26 21.900 2.222 -0.656 1.00 1.00 C ATOM 426 CD2 LEU A 26 21.872 0.751 1.410 1.00 1.00 C ATOM 0 H LEU A 26 26.152 -0.001 0.229 1.00 1.00 H new ATOM 0 HA LEU A 26 23.476 -0.739 0.341 1.00 1.00 H new ATOM 0 HB2 LEU A 26 24.669 1.338 1.159 1.00 1.00 H new ATOM 0 HB3 LEU A 26 24.495 1.960 -0.470 1.00 1.00 H new ATOM 0 HG LEU A 26 22.755 2.676 1.235 1.00 1.00 H new ATOM 0 HD11 LEU A 26 20.907 2.580 -0.383 1.00 1.00 H new ATOM 0 HD12 LEU A 26 22.450 3.021 -1.154 1.00 1.00 H new ATOM 0 HD13 LEU A 26 21.806 1.371 -1.331 1.00 1.00 H new ATOM 0 HD21 LEU A 26 20.880 1.138 1.642 1.00 1.00 H new ATOM 0 HD22 LEU A 26 21.777 -0.164 0.825 1.00 1.00 H new ATOM 0 HD23 LEU A 26 22.403 0.536 2.337 1.00 1.00 H new ATOM 438 N SER A 27 24.485 0.031 -2.708 1.00 1.00 N ATOM 439 CA SER A 27 24.120 -0.054 -4.112 1.00 1.00 C ATOM 440 C SER A 27 23.767 -1.503 -4.456 1.00 1.00 C ATOM 441 O SER A 27 22.767 -1.715 -5.156 1.00 1.00 O ATOM 442 CB SER A 27 25.249 0.446 -5.015 1.00 1.00 C ATOM 443 OG SER A 27 24.788 1.402 -5.965 1.00 1.00 O ATOM 0 H SER A 27 25.443 0.338 -2.543 1.00 1.00 H new ATOM 0 HA SER A 27 23.255 0.586 -4.284 1.00 1.00 H new ATOM 0 HB2 SER A 27 26.033 0.892 -4.403 1.00 1.00 H new ATOM 0 HB3 SER A 27 25.696 -0.399 -5.539 1.00 1.00 H new ATOM 0 HG SER A 27 25.538 1.698 -6.521 1.00 1.00 H new ATOM 449 N GLY A 28 24.582 -2.454 -3.966 1.00 1.00 N ATOM 450 CA GLY A 28 24.357 -3.867 -4.220 1.00 1.00 C ATOM 451 C GLY A 28 23.168 -4.347 -3.386 1.00 1.00 C ATOM 452 O GLY A 28 22.406 -5.193 -3.878 1.00 1.00 O ATOM 0 H GLY A 28 25.402 -2.257 -3.392 1.00 1.00 H new ATOM 0 HA2 GLY A 28 24.163 -4.031 -5.280 1.00 1.00 H new ATOM 0 HA3 GLY A 28 25.249 -4.440 -3.967 1.00 1.00 H new ATOM 456 N ILE A 29 23.034 -3.808 -2.161 1.00 1.00 N ATOM 457 CA ILE A 29 21.948 -4.180 -1.270 1.00 1.00 C ATOM 458 C ILE A 29 20.612 -3.969 -1.987 1.00 1.00 C ATOM 459 O ILE A 29 19.770 -4.878 -1.943 1.00 1.00 O ATOM 460 CB ILE A 29 22.060 -3.425 0.056 1.00 1.00 C ATOM 461 CG1 ILE A 29 22.795 -4.263 1.104 1.00 1.00 C ATOM 462 CG2 ILE A 29 20.684 -2.971 0.547 1.00 1.00 C ATOM 463 CD1 ILE A 29 24.294 -4.326 0.803 1.00 1.00 C ATOM 0 H ILE A 29 23.672 -3.112 -1.775 1.00 1.00 H new ATOM 0 HA ILE A 29 22.010 -5.238 -1.014 1.00 1.00 H new ATOM 0 HB ILE A 29 22.654 -2.527 -0.112 1.00 1.00 H new ATOM 0 HG12 ILE A 29 22.637 -3.834 2.094 1.00 1.00 H new ATOM 0 HG13 ILE A 29 22.382 -5.271 1.124 1.00 1.00 H new ATOM 0 HG21 ILE A 29 20.793 -2.437 1.491 1.00 1.00 H new ATOM 0 HG22 ILE A 29 20.233 -2.311 -0.194 1.00 1.00 H new ATOM 0 HG23 ILE A 29 20.045 -3.842 0.694 1.00 1.00 H new ATOM 0 HD11 ILE A 29 24.793 -4.928 1.563 1.00 1.00 H new ATOM 0 HD12 ILE A 29 24.450 -4.777 -0.177 1.00 1.00 H new ATOM 0 HD13 ILE A 29 24.709 -3.318 0.808 1.00 1.00 H new ATOM 475 N CYS A 30 20.448 -2.795 -2.621 1.00 1.00 N ATOM 476 CA CYS A 30 19.226 -2.472 -3.338 1.00 1.00 C ATOM 477 C CYS A 30 19.036 -3.466 -4.486 1.00 1.00 C ATOM 478 O CYS A 30 17.896 -3.900 -4.707 1.00 1.00 O ATOM 479 CB CYS A 30 19.244 -1.024 -3.834 1.00 1.00 C ATOM 480 SG CYS A 30 17.829 -0.018 -3.297 1.00 1.00 S ATOM 0 H CYS A 30 21.155 -2.060 -2.645 1.00 1.00 H new ATOM 0 HA CYS A 30 18.376 -2.559 -2.661 1.00 1.00 H new ATOM 0 HB2 CYS A 30 20.162 -0.548 -3.490 1.00 1.00 H new ATOM 0 HB3 CYS A 30 19.276 -1.028 -4.924 1.00 1.00 H new ATOM 0 HG CYS A 30 17.311 0.586 -4.325 1.00 1.00 H new ATOM 486 N GLU A 31 20.137 -3.800 -5.182 1.00 1.00 N ATOM 487 CA GLU A 31 20.091 -4.734 -6.294 1.00 1.00 C ATOM 488 C GLU A 31 19.725 -6.125 -5.773 1.00 1.00 C ATOM 489 O GLU A 31 19.150 -6.910 -6.541 1.00 1.00 O ATOM 490 CB GLU A 31 21.417 -4.765 -7.057 1.00 1.00 C ATOM 491 CG GLU A 31 21.334 -5.705 -8.262 1.00 1.00 C ATOM 492 CD GLU A 31 22.467 -6.733 -8.233 1.00 1.00 C ATOM 493 OE1 GLU A 31 23.564 -6.433 -7.739 1.00 1.00 O ATOM 494 OE2 GLU A 31 22.176 -7.879 -8.748 1.00 1.00 O ATOM 0 H GLU A 31 21.067 -3.430 -4.984 1.00 1.00 H new ATOM 0 HA GLU A 31 19.328 -4.402 -6.998 1.00 1.00 H new ATOM 0 HB2 GLU A 31 21.671 -3.760 -7.392 1.00 1.00 H new ATOM 0 HB3 GLU A 31 22.216 -5.091 -6.391 1.00 1.00 H new ATOM 0 HG2 GLU A 31 20.372 -6.218 -8.262 1.00 1.00 H new ATOM 0 HG3 GLU A 31 21.387 -5.126 -9.184 1.00 1.00 H new ATOM 501 N PHE A 32 20.059 -6.397 -4.499 1.00 1.00 N ATOM 502 CA PHE A 32 19.768 -7.681 -3.884 1.00 1.00 C ATOM 503 C PHE A 32 18.313 -7.697 -3.412 1.00 1.00 C ATOM 504 O PHE A 32 17.644 -8.725 -3.596 1.00 1.00 O ATOM 505 CB PHE A 32 20.729 -7.907 -2.701 1.00 1.00 C ATOM 506 CG PHE A 32 20.079 -8.504 -1.459 1.00 1.00 C ATOM 507 CD1 PHE A 32 19.358 -7.674 -0.569 1.00 1.00 C ATOM 508 CD2 PHE A 32 20.185 -9.889 -1.192 1.00 1.00 C ATOM 509 CE1 PHE A 32 18.751 -8.225 0.579 1.00 1.00 C ATOM 510 CE2 PHE A 32 19.577 -10.438 -0.043 1.00 1.00 C ATOM 511 CZ PHE A 32 18.861 -9.606 0.843 1.00 1.00 C ATOM 0 H PHE A 32 20.532 -5.735 -3.883 1.00 1.00 H new ATOM 0 HA PHE A 32 19.909 -8.485 -4.607 1.00 1.00 H new ATOM 0 HB2 PHE A 32 21.535 -8.566 -3.025 1.00 1.00 H new ATOM 0 HB3 PHE A 32 21.185 -6.954 -2.434 1.00 1.00 H new ATOM 0 HD1 PHE A 32 19.272 -6.616 -0.769 1.00 1.00 H new ATOM 0 HD2 PHE A 32 20.733 -10.528 -1.869 1.00 1.00 H new ATOM 0 HE1 PHE A 32 18.201 -7.588 1.257 1.00 1.00 H new ATOM 0 HE2 PHE A 32 19.660 -11.496 0.158 1.00 1.00 H new ATOM 0 HZ PHE A 32 18.397 -10.026 1.723 1.00 1.00 H new ATOM 521 N ILE A 33 17.858 -6.576 -2.823 1.00 1.00 N ATOM 522 CA ILE A 33 16.496 -6.463 -2.331 1.00 1.00 C ATOM 523 C ILE A 33 15.539 -6.329 -3.517 1.00 1.00 C ATOM 524 O ILE A 33 14.432 -6.881 -3.447 1.00 1.00 O ATOM 525 CB ILE A 33 16.385 -5.321 -1.319 1.00 1.00 C ATOM 526 CG1 ILE A 33 16.415 -5.854 0.115 1.00 1.00 C ATOM 527 CG2 ILE A 33 15.143 -4.469 -1.588 1.00 1.00 C ATOM 528 CD1 ILE A 33 17.304 -4.983 1.005 1.00 1.00 C ATOM 0 H ILE A 33 18.425 -5.740 -2.682 1.00 1.00 H new ATOM 0 HA ILE A 33 16.210 -7.366 -1.791 1.00 1.00 H new ATOM 0 HB ILE A 33 17.253 -4.672 -1.439 1.00 1.00 H new ATOM 0 HG12 ILE A 33 15.403 -5.879 0.519 1.00 1.00 H new ATOM 0 HG13 ILE A 33 16.785 -6.879 0.118 1.00 1.00 H new ATOM 0 HG21 ILE A 33 15.088 -3.664 -0.855 1.00 1.00 H new ATOM 0 HG22 ILE A 33 15.204 -4.043 -2.590 1.00 1.00 H new ATOM 0 HG23 ILE A 33 14.251 -5.091 -1.512 1.00 1.00 H new ATOM 0 HD11 ILE A 33 17.308 -5.384 2.019 1.00 1.00 H new ATOM 0 HD12 ILE A 33 18.321 -4.980 0.612 1.00 1.00 H new ATOM 0 HD13 ILE A 33 16.918 -3.964 1.019 1.00 1.00 H new ATOM 540 N SER A 34 15.977 -5.609 -4.566 1.00 1.00 N ATOM 541 CA SER A 34 15.166 -5.407 -5.754 1.00 1.00 C ATOM 542 C SER A 34 15.070 -6.721 -6.531 1.00 1.00 C ATOM 543 O SER A 34 14.140 -6.862 -7.338 1.00 1.00 O ATOM 544 CB SER A 34 15.742 -4.304 -6.644 1.00 1.00 C ATOM 545 OG SER A 34 17.031 -4.643 -7.147 1.00 1.00 O ATOM 0 H SER A 34 16.893 -5.161 -4.603 1.00 1.00 H new ATOM 0 HA SER A 34 14.170 -5.091 -5.444 1.00 1.00 H new ATOM 0 HB2 SER A 34 15.064 -4.120 -7.478 1.00 1.00 H new ATOM 0 HB3 SER A 34 15.807 -3.376 -6.075 1.00 1.00 H new ATOM 0 HG SER A 34 17.364 -3.914 -7.711 1.00 1.00 H new ATOM 551 N ASN A 35 16.017 -7.642 -6.277 1.00 1.00 N ATOM 552 CA ASN A 35 16.038 -8.930 -6.948 1.00 1.00 C ATOM 553 C ASN A 35 15.025 -9.863 -6.283 1.00 1.00 C ATOM 554 O ASN A 35 14.135 -10.365 -6.986 1.00 1.00 O ATOM 555 CB ASN A 35 17.419 -9.582 -6.846 1.00 1.00 C ATOM 556 CG ASN A 35 18.219 -9.377 -8.134 1.00 1.00 C ATOM 557 OD1 ASN A 35 19.258 -8.738 -8.155 1.00 1.00 O ATOM 558 ND2 ASN A 35 17.678 -9.953 -9.203 1.00 1.00 N ATOM 0 H ASN A 35 16.775 -7.506 -5.608 1.00 1.00 H new ATOM 0 HA ASN A 35 15.792 -8.767 -7.997 1.00 1.00 H new ATOM 0 HB2 ASN A 35 17.964 -9.157 -6.003 1.00 1.00 H new ATOM 0 HB3 ASN A 35 17.308 -10.648 -6.649 1.00 1.00 H new ATOM 0 HD21 ASN A 35 18.136 -9.874 -10.111 1.00 1.00 H new ATOM 0 HD22 ASN A 35 16.805 -10.474 -9.115 1.00 1.00 H new ATOM 565 N ARG A 36 15.176 -10.074 -4.963 1.00 1.00 N ATOM 566 CA ARG A 36 14.280 -10.939 -4.214 1.00 1.00 C ATOM 567 C ARG A 36 12.942 -10.225 -4.010 1.00 1.00 C ATOM 568 O ARG A 36 11.899 -10.890 -4.100 1.00 1.00 O ATOM 569 CB ARG A 36 14.865 -11.311 -2.850 1.00 1.00 C ATOM 570 CG ARG A 36 15.264 -10.060 -2.065 1.00 1.00 C ATOM 571 CD ARG A 36 16.481 -10.334 -1.179 1.00 1.00 C ATOM 572 NE ARG A 36 17.601 -10.842 -2.001 1.00 1.00 N ATOM 573 CZ ARG A 36 17.891 -12.151 -2.159 1.00 1.00 C ATOM 574 NH1 ARG A 36 17.129 -13.064 -1.541 1.00 1.00 N ATOM 575 NH2 ARG A 36 18.925 -12.532 -2.922 1.00 1.00 N ATOM 0 H ARG A 36 15.916 -9.651 -4.402 1.00 1.00 H new ATOM 0 HA ARG A 36 14.140 -11.857 -4.785 1.00 1.00 H new ATOM 0 HB2 ARG A 36 14.133 -11.884 -2.281 1.00 1.00 H new ATOM 0 HB3 ARG A 36 15.736 -11.952 -2.986 1.00 1.00 H new ATOM 0 HG2 ARG A 36 15.489 -9.248 -2.757 1.00 1.00 H new ATOM 0 HG3 ARG A 36 14.428 -9.731 -1.449 1.00 1.00 H new ATOM 0 HD2 ARG A 36 16.781 -9.420 -0.666 1.00 1.00 H new ATOM 0 HD3 ARG A 36 16.224 -11.062 -0.409 1.00 1.00 H new ATOM 0 HE ARG A 36 18.191 -10.161 -2.478 1.00 1.00 H new ATOM 0 HH11 ARG A 36 16.344 -12.766 -0.962 1.00 1.00 H new ATOM 0 HH12 ARG A 36 17.334 -14.057 -1.650 1.00 1.00 H new ATOM 0 HH21 ARG A 36 19.500 -11.831 -3.389 1.00 1.00 H new ATOM 0 HH22 ARG A 36 19.137 -13.523 -3.036 1.00 1.00 H new ATOM 589 N PHE A 37 12.996 -8.908 -3.743 1.00 1.00 N ATOM 590 CA PHE A 37 11.797 -8.116 -3.528 1.00 1.00 C ATOM 591 C PHE A 37 11.715 -7.024 -4.597 1.00 1.00 C ATOM 592 O PHE A 37 11.945 -5.852 -4.261 1.00 1.00 O ATOM 593 CB PHE A 37 11.843 -7.498 -2.117 1.00 1.00 C ATOM 594 CG PHE A 37 12.565 -8.344 -1.077 1.00 1.00 C ATOM 595 CD1 PHE A 37 12.143 -9.669 -0.814 1.00 1.00 C ATOM 596 CD2 PHE A 37 13.659 -7.806 -0.361 1.00 1.00 C ATOM 597 CE1 PHE A 37 12.812 -10.448 0.154 1.00 1.00 C ATOM 598 CE2 PHE A 37 14.327 -8.586 0.607 1.00 1.00 C ATOM 599 CZ PHE A 37 13.904 -9.907 0.864 1.00 1.00 C ATOM 0 H PHE A 37 13.865 -8.379 -3.673 1.00 1.00 H new ATOM 0 HA PHE A 37 10.911 -8.746 -3.604 1.00 1.00 H new ATOM 0 HB2 PHE A 37 12.331 -6.525 -2.177 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.822 -7.323 -1.778 1.00 1.00 H new ATOM 0 HD1 PHE A 37 11.307 -10.085 -1.356 1.00 1.00 H new ATOM 0 HD2 PHE A 37 13.985 -6.795 -0.555 1.00 1.00 H new ATOM 0 HE1 PHE A 37 12.488 -11.459 0.351 1.00 1.00 H new ATOM 0 HE2 PHE A 37 15.163 -8.171 1.151 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.416 -10.504 1.604 1.00 1.00 H new ATOM 609 N PRO A 38 11.395 -7.421 -5.841 1.00 1.00 N ATOM 610 CA PRO A 38 11.276 -6.512 -6.968 1.00 1.00 C ATOM 611 C PRO A 38 9.979 -5.704 -6.886 1.00 1.00 C ATOM 612 O PRO A 38 10.010 -4.505 -7.198 1.00 1.00 O ATOM 613 CB PRO A 38 11.346 -7.400 -8.199 1.00 1.00 C ATOM 614 CG PRO A 38 11.035 -8.807 -7.716 1.00 1.00 C ATOM 615 CD PRO A 38 11.131 -8.812 -6.200 1.00 1.00 C ATOM 0 HA PRO A 38 12.067 -5.762 -6.989 1.00 1.00 H new ATOM 0 HB2 PRO A 38 10.628 -7.079 -8.954 1.00 1.00 H new ATOM 0 HB3 PRO A 38 12.334 -7.354 -8.658 1.00 1.00 H new ATOM 0 HG2 PRO A 38 10.038 -9.109 -8.036 1.00 1.00 H new ATOM 0 HG3 PRO A 38 11.737 -9.522 -8.145 1.00 1.00 H new ATOM 0 HD2 PRO A 38 10.207 -9.170 -5.746 1.00 1.00 H new ATOM 0 HD3 PRO A 38 11.930 -9.468 -5.856 1.00 1.00 H new ATOM 623 N TYR A 39 8.883 -6.366 -6.474 1.00 1.00 N ATOM 624 CA TYR A 39 7.618 -5.657 -6.378 1.00 1.00 C ATOM 625 C TYR A 39 7.742 -4.539 -5.341 1.00 1.00 C ATOM 626 O TYR A 39 6.898 -3.631 -5.360 1.00 1.00 O ATOM 627 CB TYR A 39 6.485 -6.640 -6.030 1.00 1.00 C ATOM 628 CG TYR A 39 5.103 -6.006 -5.946 1.00 1.00 C ATOM 629 CD1 TYR A 39 4.638 -5.183 -6.997 1.00 1.00 C ATOM 630 CD2 TYR A 39 4.275 -6.240 -4.824 1.00 1.00 C ATOM 631 CE1 TYR A 39 3.357 -4.596 -6.926 1.00 1.00 C ATOM 632 CE2 TYR A 39 2.994 -5.653 -4.753 1.00 1.00 C ATOM 633 CZ TYR A 39 2.534 -4.830 -5.804 1.00 1.00 C ATOM 634 OH TYR A 39 1.294 -4.259 -5.738 1.00 1.00 O ATOM 0 H TYR A 39 8.855 -7.352 -6.214 1.00 1.00 H new ATOM 0 HA TYR A 39 7.371 -5.204 -7.338 1.00 1.00 H new ATOM 0 HB2 TYR A 39 6.463 -7.430 -6.780 1.00 1.00 H new ATOM 0 HB3 TYR A 39 6.712 -7.114 -5.075 1.00 1.00 H new ATOM 0 HD1 TYR A 39 5.266 -5.003 -7.857 1.00 1.00 H new ATOM 0 HD2 TYR A 39 4.624 -6.870 -4.019 1.00 1.00 H new ATOM 0 HE1 TYR A 39 3.006 -3.967 -7.731 1.00 1.00 H new ATOM 0 HE2 TYR A 39 2.365 -5.833 -3.894 1.00 1.00 H new ATOM 0 HH TYR A 39 0.857 -4.522 -4.901 1.00 1.00 H new ATOM 644 N TYR A 40 8.762 -4.626 -4.469 1.00 1.00 N ATOM 645 CA TYR A 40 8.919 -3.599 -3.454 1.00 1.00 C ATOM 646 C TYR A 40 9.618 -2.384 -4.067 1.00 1.00 C ATOM 647 O TYR A 40 9.174 -1.258 -3.796 1.00 1.00 O ATOM 648 CB TYR A 40 9.696 -4.160 -2.249 1.00 1.00 C ATOM 649 CG TYR A 40 9.216 -3.653 -0.896 1.00 1.00 C ATOM 650 CD1 TYR A 40 8.952 -2.278 -0.699 1.00 1.00 C ATOM 651 CD2 TYR A 40 9.036 -4.558 0.175 1.00 1.00 C ATOM 652 CE1 TYR A 40 8.510 -1.812 0.557 1.00 1.00 C ATOM 653 CE2 TYR A 40 8.594 -4.093 1.432 1.00 1.00 C ATOM 654 CZ TYR A 40 8.330 -2.720 1.624 1.00 1.00 C ATOM 655 OH TYR A 40 7.901 -2.273 2.842 1.00 1.00 O ATOM 0 H TYR A 40 9.459 -5.370 -4.453 1.00 1.00 H new ATOM 0 HA TYR A 40 7.941 -3.281 -3.091 1.00 1.00 H new ATOM 0 HB2 TYR A 40 9.625 -5.248 -2.261 1.00 1.00 H new ATOM 0 HB3 TYR A 40 10.750 -3.908 -2.364 1.00 1.00 H new ATOM 0 HD1 TYR A 40 9.089 -1.582 -1.513 1.00 1.00 H new ATOM 0 HD2 TYR A 40 9.237 -5.609 0.031 1.00 1.00 H new ATOM 0 HE1 TYR A 40 8.309 -0.761 0.703 1.00 1.00 H new ATOM 0 HE2 TYR A 40 8.458 -4.788 2.247 1.00 1.00 H new ATOM 0 HH TYR A 40 7.830 -3.029 3.461 1.00 1.00 H new ATOM 665 N ARG A 41 10.680 -2.625 -4.856 1.00 1.00 N ATOM 666 CA ARG A 41 11.430 -1.551 -5.487 1.00 1.00 C ATOM 667 C ARG A 41 10.689 -1.087 -6.742 1.00 1.00 C ATOM 668 O ARG A 41 10.599 0.131 -6.957 1.00 1.00 O ATOM 669 CB ARG A 41 12.841 -2.000 -5.872 1.00 1.00 C ATOM 670 CG ARG A 41 13.557 -0.920 -6.684 1.00 1.00 C ATOM 671 CD ARG A 41 14.005 -1.464 -8.043 1.00 1.00 C ATOM 672 NE ARG A 41 15.390 -1.028 -8.330 1.00 1.00 N ATOM 673 CZ ARG A 41 15.719 0.201 -8.782 1.00 1.00 C ATOM 674 NH1 ARG A 41 14.746 1.098 -8.990 1.00 1.00 N ATOM 675 NH2 ARG A 41 16.999 0.519 -9.019 1.00 1.00 N ATOM 0 H ARG A 41 11.030 -3.560 -5.065 1.00 1.00 H new ATOM 0 HA ARG A 41 11.518 -0.734 -4.771 1.00 1.00 H new ATOM 0 HB2 ARG A 41 13.414 -2.223 -4.972 1.00 1.00 H new ATOM 0 HB3 ARG A 41 12.788 -2.921 -6.452 1.00 1.00 H new ATOM 0 HG2 ARG A 41 12.892 -0.069 -6.830 1.00 1.00 H new ATOM 0 HG3 ARG A 41 14.423 -0.557 -6.130 1.00 1.00 H new ATOM 0 HD2 ARG A 41 13.950 -2.553 -8.045 1.00 1.00 H new ATOM 0 HD3 ARG A 41 13.334 -1.110 -8.825 1.00 1.00 H new ATOM 0 HE ARG A 41 16.143 -1.698 -8.177 1.00 1.00 H new ATOM 0 HH11 ARG A 41 13.774 0.848 -8.807 1.00 1.00 H new ATOM 0 HH12 ARG A 41 14.977 2.031 -9.331 1.00 1.00 H new ATOM 0 HH21 ARG A 41 17.734 -0.170 -8.858 1.00 1.00 H new ATOM 0 HH22 ARG A 41 17.238 1.450 -9.360 1.00 1.00 H new ATOM 689 N GLU A 42 10.183 -2.049 -7.534 1.00 1.00 N ATOM 690 CA GLU A 42 9.459 -1.740 -8.755 1.00 1.00 C ATOM 691 C GLU A 42 8.149 -1.033 -8.401 1.00 1.00 C ATOM 692 O GLU A 42 7.508 -0.489 -9.312 1.00 1.00 O ATOM 693 CB GLU A 42 9.196 -2.997 -9.586 1.00 1.00 C ATOM 694 CG GLU A 42 10.458 -3.436 -10.331 1.00 1.00 C ATOM 695 CD GLU A 42 10.174 -4.642 -11.229 1.00 1.00 C ATOM 696 OE1 GLU A 42 9.694 -4.473 -12.360 1.00 1.00 O ATOM 697 OE2 GLU A 42 10.470 -5.787 -10.714 1.00 1.00 O ATOM 0 H GLU A 42 10.269 -3.047 -7.339 1.00 1.00 H new ATOM 0 HA GLU A 42 10.072 -1.078 -9.367 1.00 1.00 H new ATOM 0 HB2 GLU A 42 8.855 -3.802 -8.936 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.396 -2.804 -10.301 1.00 1.00 H new ATOM 0 HG2 GLU A 42 10.834 -2.610 -10.934 1.00 1.00 H new ATOM 0 HG3 GLU A 42 11.239 -3.688 -9.614 1.00 1.00 H new ATOM 704 N LYS A 43 7.784 -1.054 -7.106 1.00 1.00 N ATOM 705 CA LYS A 43 6.563 -0.420 -6.640 1.00 1.00 C ATOM 706 C LYS A 43 6.920 0.763 -5.738 1.00 1.00 C ATOM 707 O LYS A 43 6.227 1.789 -5.808 1.00 1.00 O ATOM 708 CB LYS A 43 5.647 -1.447 -5.973 1.00 1.00 C ATOM 709 CG LYS A 43 4.223 -0.904 -5.833 1.00 1.00 C ATOM 710 CD LYS A 43 3.564 -0.736 -7.204 1.00 1.00 C ATOM 711 CE LYS A 43 3.133 0.715 -7.430 1.00 1.00 C ATOM 712 NZ LYS A 43 2.402 0.843 -8.701 1.00 1.00 N ATOM 0 H LYS A 43 8.327 -1.508 -6.371 1.00 1.00 H new ATOM 0 HA LYS A 43 5.996 -0.021 -7.481 1.00 1.00 H new ATOM 0 HB2 LYS A 43 5.634 -2.364 -6.562 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.040 -1.705 -4.990 1.00 1.00 H new ATOM 0 HG2 LYS A 43 3.629 -1.583 -5.221 1.00 1.00 H new ATOM 0 HG3 LYS A 43 4.245 0.055 -5.316 1.00 1.00 H new ATOM 0 HD2 LYS A 43 4.261 -1.038 -7.986 1.00 1.00 H new ATOM 0 HD3 LYS A 43 2.697 -1.393 -7.278 1.00 1.00 H new ATOM 0 HE2 LYS A 43 2.501 1.046 -6.605 1.00 1.00 H new ATOM 0 HE3 LYS A 43 4.009 1.363 -7.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 2.117 1.834 -8.839 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 3.016 0.547 -9.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 1.556 0.239 -8.677 1.00 1.00 H new ATOM 726 N PHE A 44 7.977 0.601 -4.922 1.00 1.00 N ATOM 727 CA PHE A 44 8.418 1.648 -4.017 1.00 1.00 C ATOM 728 C PHE A 44 9.935 1.812 -4.135 1.00 1.00 C ATOM 729 O PHE A 44 10.639 1.506 -3.161 1.00 1.00 O ATOM 730 CB PHE A 44 8.019 1.275 -2.576 1.00 1.00 C ATOM 731 CG PHE A 44 8.132 2.414 -1.571 1.00 1.00 C ATOM 732 CD1 PHE A 44 8.569 3.693 -1.986 1.00 1.00 C ATOM 733 CD2 PHE A 44 7.805 2.195 -0.213 1.00 1.00 C ATOM 734 CE1 PHE A 44 8.676 4.745 -1.051 1.00 1.00 C ATOM 735 CE2 PHE A 44 7.912 3.247 0.722 1.00 1.00 C ATOM 736 CZ PHE A 44 8.347 4.522 0.303 1.00 1.00 C ATOM 0 H PHE A 44 8.535 -0.252 -4.880 1.00 1.00 H new ATOM 0 HA PHE A 44 7.944 2.594 -4.277 1.00 1.00 H new ATOM 0 HB2 PHE A 44 6.991 0.912 -2.580 1.00 1.00 H new ATOM 0 HB3 PHE A 44 8.647 0.449 -2.241 1.00 1.00 H new ATOM 0 HD1 PHE A 44 8.822 3.866 -3.022 1.00 1.00 H new ATOM 0 HD2 PHE A 44 7.472 1.220 0.110 1.00 1.00 H new ATOM 0 HE1 PHE A 44 9.010 5.721 -1.372 1.00 1.00 H new ATOM 0 HE2 PHE A 44 7.661 3.076 1.758 1.00 1.00 H new ATOM 0 HZ PHE A 44 8.428 5.327 1.018 1.00 1.00 H new ATOM 746 N PRO A 45 10.400 2.284 -5.305 1.00 1.00 N ATOM 747 CA PRO A 45 11.811 2.498 -5.580 1.00 1.00 C ATOM 748 C PRO A 45 12.325 3.749 -4.865 1.00 1.00 C ATOM 749 O PRO A 45 13.550 3.921 -4.785 1.00 1.00 O ATOM 750 CB PRO A 45 11.906 2.597 -7.094 1.00 1.00 C ATOM 751 CG PRO A 45 10.499 2.900 -7.581 1.00 1.00 C ATOM 752 CD PRO A 45 9.540 2.634 -6.432 1.00 1.00 C ATOM 0 HA PRO A 45 12.440 1.690 -5.207 1.00 1.00 H new ATOM 0 HB2 PRO A 45 12.600 3.383 -7.391 1.00 1.00 H new ATOM 0 HB3 PRO A 45 12.276 1.666 -7.524 1.00 1.00 H new ATOM 0 HG2 PRO A 45 10.424 3.937 -7.909 1.00 1.00 H new ATOM 0 HG3 PRO A 45 10.249 2.276 -8.439 1.00 1.00 H new ATOM 0 HD2 PRO A 45 8.934 3.513 -6.210 1.00 1.00 H new ATOM 0 HD3 PRO A 45 8.851 1.824 -6.671 1.00 1.00 H new ATOM 760 N ALA A 46 11.395 4.584 -4.368 1.00 1.00 N ATOM 761 CA ALA A 46 11.752 5.806 -3.667 1.00 1.00 C ATOM 762 C ALA A 46 12.091 5.474 -2.213 1.00 1.00 C ATOM 763 O ALA A 46 12.530 6.379 -1.488 1.00 1.00 O ATOM 764 CB ALA A 46 10.545 6.745 -3.623 1.00 1.00 C ATOM 0 H ALA A 46 10.391 4.424 -4.445 1.00 1.00 H new ATOM 0 HA ALA A 46 12.595 6.266 -4.182 1.00 1.00 H new ATOM 0 HB1 ALA A 46 10.815 7.661 -3.097 1.00 1.00 H new ATOM 0 HB2 ALA A 46 10.236 6.988 -4.640 1.00 1.00 H new ATOM 0 HB3 ALA A 46 9.722 6.256 -3.101 1.00 1.00 H new ATOM 770 N TRP A 47 11.886 4.203 -1.821 1.00 1.00 N ATOM 771 CA TRP A 47 12.168 3.760 -0.467 1.00 1.00 C ATOM 772 C TRP A 47 13.650 3.398 -0.352 1.00 1.00 C ATOM 773 O TRP A 47 14.037 2.816 0.672 1.00 1.00 O ATOM 774 CB TRP A 47 11.239 2.607 -0.082 1.00 1.00 C ATOM 775 CG TRP A 47 11.710 1.237 -0.576 1.00 1.00 C ATOM 776 CD1 TRP A 47 12.334 0.945 -1.725 1.00 1.00 C ATOM 777 CD2 TRP A 47 11.568 -0.021 0.115 1.00 1.00 C ATOM 778 NE1 TRP A 47 12.604 -0.405 -1.825 1.00 1.00 N ATOM 779 CE2 TRP A 47 12.123 -1.011 -0.671 1.00 1.00 C ATOM 780 CE3 TRP A 47 10.990 -0.314 1.363 1.00 1.00 C ATOM 781 CZ2 TRP A 47 12.155 -2.360 -0.296 1.00 1.00 C ATOM 782 CZ3 TRP A 47 11.029 -1.667 1.722 1.00 1.00 C ATOM 783 CH2 TRP A 47 11.584 -2.675 0.943 1.00 1.00 C ATOM 0 H TRP A 47 11.525 3.472 -2.434 1.00 1.00 H new ATOM 0 HA TRP A 47 11.972 4.563 0.243 1.00 1.00 H new ATOM 0 HB2 TRP A 47 11.144 2.577 1.003 1.00 1.00 H new ATOM 0 HB3 TRP A 47 10.245 2.805 -0.484 1.00 1.00 H new ATOM 0 HD1 TRP A 47 12.593 1.674 -2.478 1.00 1.00 H new ATOM 0 HE1 TRP A 47 13.071 -0.872 -2.603 1.00 1.00 H new ATOM 0 HE3 TRP A 47 10.551 0.444 1.994 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 12.596 -3.116 -0.928 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 10.597 -1.947 2.672 1.00 1.00 H new ATOM 0 HH2 TRP A 47 11.575 -3.697 1.292 1.00 1.00 H new ATOM 794 N GLN A 48 14.437 3.744 -1.387 1.00 1.00 N ATOM 795 CA GLN A 48 15.861 3.457 -1.401 1.00 1.00 C ATOM 796 C GLN A 48 16.496 3.983 -0.111 1.00 1.00 C ATOM 797 O GLN A 48 17.208 3.215 0.551 1.00 1.00 O ATOM 798 CB GLN A 48 16.543 4.058 -2.632 1.00 1.00 C ATOM 799 CG GLN A 48 17.979 3.546 -2.767 1.00 1.00 C ATOM 800 CD GLN A 48 18.577 3.944 -4.118 1.00 1.00 C ATOM 801 OE1 GLN A 48 18.690 5.110 -4.457 1.00 1.00 O ATOM 802 NE2 GLN A 48 18.952 2.911 -4.868 1.00 1.00 N ATOM 0 H GLN A 48 14.098 4.224 -2.221 1.00 1.00 H new ATOM 0 HA GLN A 48 16.000 2.377 -1.456 1.00 1.00 H new ATOM 0 HB2 GLN A 48 15.976 3.803 -3.527 1.00 1.00 H new ATOM 0 HB3 GLN A 48 16.546 5.145 -2.556 1.00 1.00 H new ATOM 0 HG2 GLN A 48 18.591 3.951 -1.961 1.00 1.00 H new ATOM 0 HG3 GLN A 48 17.993 2.461 -2.664 1.00 1.00 H new ATOM 0 HE21 GLN A 48 18.829 1.959 -4.523 1.00 1.00 H new ATOM 0 HE22 GLN A 48 19.363 3.071 -5.788 1.00 1.00 H new ATOM 811 N ASN A 49 16.229 5.260 0.214 1.00 1.00 N ATOM 812 CA ASN A 49 16.770 5.879 1.412 1.00 1.00 C ATOM 813 C ASN A 49 15.889 5.516 2.610 1.00 1.00 C ATOM 814 O ASN A 49 16.396 5.537 3.741 1.00 1.00 O ATOM 815 CB ASN A 49 16.789 7.404 1.284 1.00 1.00 C ATOM 816 CG ASN A 49 17.314 8.055 2.565 1.00 1.00 C ATOM 817 OD1 ASN A 49 18.507 8.216 2.766 1.00 1.00 O ATOM 818 ND2 ASN A 49 16.360 8.419 3.417 1.00 1.00 N ATOM 0 H ASN A 49 15.639 5.876 -0.345 1.00 1.00 H new ATOM 0 HA ASN A 49 17.789 5.516 1.549 1.00 1.00 H new ATOM 0 HB2 ASN A 49 17.416 7.694 0.441 1.00 1.00 H new ATOM 0 HB3 ASN A 49 15.783 7.767 1.073 1.00 1.00 H new ATOM 0 HD21 ASN A 49 16.608 8.862 4.301 1.00 1.00 H new ATOM 0 HD22 ASN A 49 15.380 8.255 3.186 1.00 1.00 H new ATOM 825 N SER A 50 14.611 5.197 2.343 1.00 1.00 N ATOM 826 CA SER A 50 13.672 4.834 3.391 1.00 1.00 C ATOM 827 C SER A 50 14.276 3.716 4.245 1.00 1.00 C ATOM 828 O SER A 50 14.187 3.803 5.478 1.00 1.00 O ATOM 829 CB SER A 50 12.328 4.392 2.811 1.00 1.00 C ATOM 830 OG SER A 50 11.330 4.255 3.819 1.00 1.00 O ATOM 0 H SER A 50 14.214 5.186 1.403 1.00 1.00 H new ATOM 0 HA SER A 50 13.488 5.712 4.010 1.00 1.00 H new ATOM 0 HB2 SER A 50 11.997 5.119 2.069 1.00 1.00 H new ATOM 0 HB3 SER A 50 12.452 3.441 2.292 1.00 1.00 H new ATOM 0 HG SER A 50 11.757 4.232 4.701 1.00 1.00 H new ATOM 836 N ILE A 51 14.867 2.705 3.583 1.00 1.00 N ATOM 837 CA ILE A 51 15.477 1.584 4.276 1.00 1.00 C ATOM 838 C ILE A 51 16.888 1.973 4.723 1.00 1.00 C ATOM 839 O ILE A 51 17.342 1.459 5.756 1.00 1.00 O ATOM 840 CB ILE A 51 15.433 0.327 3.405 1.00 1.00 C ATOM 841 CG1 ILE A 51 16.615 0.291 2.434 1.00 1.00 C ATOM 842 CG2 ILE A 51 14.091 0.209 2.680 1.00 1.00 C ATOM 843 CD1 ILE A 51 16.176 0.685 1.022 1.00 1.00 C ATOM 0 H ILE A 51 14.929 2.653 2.566 1.00 1.00 H new ATOM 0 HA ILE A 51 14.913 1.340 5.176 1.00 1.00 H new ATOM 0 HB ILE A 51 15.525 -0.543 4.055 1.00 1.00 H new ATOM 0 HG12 ILE A 51 17.395 0.970 2.779 1.00 1.00 H new ATOM 0 HG13 ILE A 51 17.047 -0.709 2.419 1.00 1.00 H new ATOM 0 HG21 ILE A 51 14.086 -0.693 2.068 1.00 1.00 H new ATOM 0 HG22 ILE A 51 13.285 0.155 3.412 1.00 1.00 H new ATOM 0 HG23 ILE A 51 13.944 1.081 2.043 1.00 1.00 H new ATOM 0 HD11 ILE A 51 17.035 0.651 0.351 1.00 1.00 H new ATOM 0 HD12 ILE A 51 15.414 -0.010 0.671 1.00 1.00 H new ATOM 0 HD13 ILE A 51 15.767 1.695 1.037 1.00 1.00 H new ATOM 855 N ARG A 52 17.542 2.858 3.950 1.00 1.00 N ATOM 856 CA ARG A 52 18.887 3.309 4.265 1.00 1.00 C ATOM 857 C ARG A 52 18.922 3.832 5.702 1.00 1.00 C ATOM 858 O ARG A 52 19.852 3.471 6.438 1.00 1.00 O ATOM 859 CB ARG A 52 19.346 4.418 3.315 1.00 1.00 C ATOM 860 CG ARG A 52 20.777 4.856 3.635 1.00 1.00 C ATOM 861 CD ARG A 52 21.642 4.867 2.374 1.00 1.00 C ATOM 862 NE ARG A 52 22.000 6.259 2.017 1.00 1.00 N ATOM 863 CZ ARG A 52 23.007 6.591 1.183 1.00 1.00 C ATOM 864 NH1 ARG A 52 23.743 5.616 0.631 1.00 1.00 N ATOM 865 NH2 ARG A 52 23.268 7.877 0.910 1.00 1.00 N ATOM 0 H ARG A 52 17.150 3.269 3.103 1.00 1.00 H new ATOM 0 HA ARG A 52 19.563 2.461 4.151 1.00 1.00 H new ATOM 0 HB2 ARG A 52 19.291 4.065 2.285 1.00 1.00 H new ATOM 0 HB3 ARG A 52 18.674 5.272 3.395 1.00 1.00 H new ATOM 0 HG2 ARG A 52 20.766 5.850 4.081 1.00 1.00 H new ATOM 0 HG3 ARG A 52 21.211 4.181 4.372 1.00 1.00 H new ATOM 0 HD2 ARG A 52 22.546 4.281 2.538 1.00 1.00 H new ATOM 0 HD3 ARG A 52 21.104 4.398 1.550 1.00 1.00 H new ATOM 0 HE ARG A 52 21.451 7.014 2.427 1.00 1.00 H new ATOM 0 HH11 ARG A 52 23.538 4.640 0.844 1.00 1.00 H new ATOM 0 HH12 ARG A 52 24.508 5.850 -0.002 1.00 1.00 H new ATOM 0 HH21 ARG A 52 22.703 8.613 1.334 1.00 1.00 H new ATOM 0 HH22 ARG A 52 24.031 8.120 0.278 1.00 1.00 H new ATOM 879 N HIS A 53 17.925 4.657 6.067 1.00 1.00 N ATOM 880 CA HIS A 53 17.843 5.222 7.404 1.00 1.00 C ATOM 881 C HIS A 53 17.800 4.088 8.430 1.00 1.00 C ATOM 882 O HIS A 53 18.670 4.059 9.313 1.00 1.00 O ATOM 883 CB HIS A 53 16.652 6.175 7.523 1.00 1.00 C ATOM 884 CG HIS A 53 17.023 7.567 7.975 1.00 1.00 C ATOM 885 ND1 HIS A 53 17.803 8.420 7.213 1.00 1.00 N ATOM 886 CD2 HIS A 53 16.712 8.246 9.117 1.00 1.00 C ATOM 887 CE1 HIS A 53 17.949 9.557 7.877 1.00 1.00 C ATOM 888 NE2 HIS A 53 17.273 9.448 9.056 1.00 1.00 N ATOM 0 H HIS A 53 17.168 4.941 5.445 1.00 1.00 H new ATOM 0 HA HIS A 53 18.730 5.822 7.607 1.00 1.00 H new ATOM 0 HB2 HIS A 53 16.153 6.239 6.556 1.00 1.00 H new ATOM 0 HB3 HIS A 53 15.933 5.755 8.226 1.00 1.00 H new ATOM 0 HD2 HIS A 53 16.112 7.870 9.932 1.00 1.00 H new ATOM 0 HE1 HIS A 53 18.506 10.420 7.543 1.00 1.00 H new ATOM 0 HE2 HIS A 53 17.209 10.171 9.773 1.00 1.00 H new ATOM 896 N ASN A 54 16.807 3.192 8.296 1.00 1.00 N ATOM 897 CA ASN A 54 16.655 2.068 9.205 1.00 1.00 C ATOM 898 C ASN A 54 17.889 1.169 9.108 1.00 1.00 C ATOM 899 O ASN A 54 18.216 0.506 10.103 1.00 1.00 O ATOM 900 CB ASN A 54 15.428 1.229 8.844 1.00 1.00 C ATOM 901 CG ASN A 54 14.170 1.778 9.521 1.00 1.00 C ATOM 902 OD1 ASN A 54 13.610 1.181 10.425 1.00 1.00 O ATOM 903 ND2 ASN A 54 13.759 2.945 9.033 1.00 1.00 N ATOM 0 H ASN A 54 16.101 3.234 7.561 1.00 1.00 H new ATOM 0 HA ASN A 54 16.536 2.464 10.214 1.00 1.00 H new ATOM 0 HB2 ASN A 54 15.291 1.225 7.763 1.00 1.00 H new ATOM 0 HB3 ASN A 54 15.588 0.195 9.149 1.00 1.00 H new ATOM 0 HD21 ASN A 54 12.928 3.394 9.417 1.00 1.00 H new ATOM 0 HD22 ASN A 54 14.275 3.391 8.275 1.00 1.00 H new ATOM 910 N LEU A 55 18.538 1.163 7.930 1.00 1.00 N ATOM 911 CA LEU A 55 19.723 0.353 7.707 1.00 1.00 C ATOM 912 C LEU A 55 20.808 0.757 8.708 1.00 1.00 C ATOM 913 O LEU A 55 21.322 -0.127 9.410 1.00 1.00 O ATOM 914 CB LEU A 55 20.170 0.445 6.247 1.00 1.00 C ATOM 915 CG LEU A 55 20.433 -0.886 5.540 1.00 1.00 C ATOM 916 CD1 LEU A 55 20.285 -0.741 4.024 1.00 1.00 C ATOM 917 CD2 LEU A 55 21.800 -1.452 5.930 1.00 1.00 C ATOM 0 H LEU A 55 18.251 1.716 7.122 1.00 1.00 H new ATOM 0 HA LEU A 55 19.502 -0.700 7.882 1.00 1.00 H new ATOM 0 HB2 LEU A 55 19.407 0.986 5.688 1.00 1.00 H new ATOM 0 HB3 LEU A 55 21.081 1.043 6.204 1.00 1.00 H new ATOM 0 HG LEU A 55 19.681 -1.602 5.870 1.00 1.00 H new ATOM 0 HD11 LEU A 55 20.477 -1.702 3.546 1.00 1.00 H new ATOM 0 HD12 LEU A 55 19.273 -0.414 3.787 1.00 1.00 H new ATOM 0 HD13 LEU A 55 21.000 -0.004 3.658 1.00 1.00 H new ATOM 0 HD21 LEU A 55 21.963 -2.398 5.414 1.00 1.00 H new ATOM 0 HD22 LEU A 55 22.580 -0.746 5.647 1.00 1.00 H new ATOM 0 HD23 LEU A 55 21.832 -1.616 7.007 1.00 1.00 H new ATOM 929 N SER A 56 21.129 2.062 8.754 1.00 1.00 N ATOM 930 CA SER A 56 22.142 2.575 9.661 1.00 1.00 C ATOM 931 C SER A 56 21.553 2.682 11.069 1.00 1.00 C ATOM 932 O SER A 56 22.316 2.559 12.038 1.00 1.00 O ATOM 933 CB SER A 56 22.668 3.936 9.201 1.00 1.00 C ATOM 934 OG SER A 56 23.112 4.734 10.295 1.00 1.00 O ATOM 0 H SER A 56 20.694 2.774 8.167 1.00 1.00 H new ATOM 0 HA SER A 56 22.984 1.883 9.666 1.00 1.00 H new ATOM 0 HB2 SER A 56 23.491 3.789 8.502 1.00 1.00 H new ATOM 0 HB3 SER A 56 21.882 4.465 8.662 1.00 1.00 H new ATOM 0 HG SER A 56 23.442 5.594 9.960 1.00 1.00 H new ATOM 940 N LEU A 57 20.229 2.905 11.153 1.00 1.00 N ATOM 941 CA LEU A 57 19.548 3.026 12.430 1.00 1.00 C ATOM 942 C LEU A 57 19.195 1.631 12.950 1.00 1.00 C ATOM 943 O LEU A 57 18.324 1.531 13.826 1.00 1.00 O ATOM 944 CB LEU A 57 18.342 3.960 12.308 1.00 1.00 C ATOM 945 CG LEU A 57 18.619 5.447 12.537 1.00 1.00 C ATOM 946 CD1 LEU A 57 18.384 6.252 11.258 1.00 1.00 C ATOM 947 CD2 LEU A 57 17.796 5.983 13.710 1.00 1.00 C ATOM 0 H LEU A 57 19.618 3.004 10.342 1.00 1.00 H new ATOM 0 HA LEU A 57 20.204 3.485 13.169 1.00 1.00 H new ATOM 0 HB2 LEU A 57 17.914 3.840 11.313 1.00 1.00 H new ATOM 0 HB3 LEU A 57 17.584 3.638 13.022 1.00 1.00 H new ATOM 0 HG LEU A 57 19.670 5.562 12.801 1.00 1.00 H new ATOM 0 HD11 LEU A 57 18.588 7.306 11.449 1.00 1.00 H new ATOM 0 HD12 LEU A 57 19.048 5.890 10.473 1.00 1.00 H new ATOM 0 HD13 LEU A 57 17.348 6.135 10.940 1.00 1.00 H new ATOM 0 HD21 LEU A 57 18.011 7.042 13.852 1.00 1.00 H new ATOM 0 HD22 LEU A 57 16.734 5.854 13.499 1.00 1.00 H new ATOM 0 HD23 LEU A 57 18.055 5.436 14.616 1.00 1.00 H new ATOM 959 N ASN A 58 19.868 0.599 12.410 1.00 1.00 N ATOM 960 CA ASN A 58 19.627 -0.775 12.816 1.00 1.00 C ATOM 961 C ASN A 58 20.782 -1.250 13.700 1.00 1.00 C ATOM 962 O ASN A 58 20.665 -1.146 14.930 1.00 1.00 O ATOM 963 CB ASN A 58 19.548 -1.702 11.602 1.00 1.00 C ATOM 964 CG ASN A 58 19.726 -3.164 12.017 1.00 1.00 C ATOM 965 OD1 ASN A 58 20.805 -3.730 11.945 1.00 1.00 O ATOM 966 ND2 ASN A 58 18.612 -3.743 12.454 1.00 1.00 N ATOM 0 H ASN A 58 20.583 0.703 11.690 1.00 1.00 H new ATOM 0 HA ASN A 58 18.680 -0.807 13.356 1.00 1.00 H new ATOM 0 HB2 ASN A 58 18.586 -1.576 11.105 1.00 1.00 H new ATOM 0 HB3 ASN A 58 20.318 -1.429 10.880 1.00 1.00 H new ATOM 0 HD21 ASN A 58 18.628 -4.718 12.754 1.00 1.00 H new ATOM 0 HD22 ASN A 58 17.741 -3.213 12.489 1.00 1.00 H new ATOM 973 N ASP A 59 21.856 -1.755 13.067 1.00 1.00 N ATOM 974 CA ASP A 59 23.019 -2.240 13.791 1.00 1.00 C ATOM 975 C ASP A 59 23.937 -1.062 14.123 1.00 1.00 C ATOM 976 O ASP A 59 24.545 -1.074 15.203 1.00 1.00 O ATOM 977 CB ASP A 59 23.815 -3.238 12.948 1.00 1.00 C ATOM 978 CG ASP A 59 23.578 -4.710 13.292 1.00 1.00 C ATOM 979 OD1 ASP A 59 23.929 -5.055 14.484 1.00 1.00 O ATOM 980 OD2 ASP A 59 23.083 -5.487 12.462 1.00 1.00 O ATOM 0 H ASP A 59 21.932 -1.833 12.053 1.00 1.00 H new ATOM 0 HA ASP A 59 22.670 -2.732 14.699 1.00 1.00 H new ATOM 0 HB2 ASP A 59 23.568 -3.082 11.898 1.00 1.00 H new ATOM 0 HB3 ASP A 59 24.877 -3.021 13.061 1.00 1.00 H new ATOM 985 N CYS A 60 24.017 -0.084 13.202 1.00 1.00 N ATOM 986 CA CYS A 60 24.854 1.088 13.396 1.00 1.00 C ATOM 987 C CYS A 60 26.253 0.808 12.845 1.00 1.00 C ATOM 988 O CYS A 60 27.233 1.162 13.517 1.00 1.00 O ATOM 989 CB CYS A 60 24.892 1.501 14.869 1.00 1.00 C ATOM 990 SG CYS A 60 23.292 2.021 15.557 1.00 1.00 S ATOM 0 H CYS A 60 23.507 -0.093 12.319 1.00 1.00 H new ATOM 0 HA CYS A 60 24.429 1.929 12.848 1.00 1.00 H new ATOM 0 HB2 CYS A 60 25.269 0.664 15.457 1.00 1.00 H new ATOM 0 HB3 CYS A 60 25.604 2.318 14.984 1.00 1.00 H new ATOM 0 HG CYS A 60 23.442 2.345 16.807 1.00 1.00 H new ATOM 996 N PHE A 61 26.319 0.188 11.654 1.00 1.00 N ATOM 997 CA PHE A 61 27.587 -0.135 11.022 1.00 1.00 C ATOM 998 C PHE A 61 28.275 1.158 10.579 1.00 1.00 C ATOM 999 O PHE A 61 27.823 2.237 10.991 1.00 1.00 O ATOM 1000 CB PHE A 61 27.332 -1.060 9.816 1.00 1.00 C ATOM 1001 CG PHE A 61 25.864 -1.355 9.541 1.00 1.00 C ATOM 1002 CD1 PHE A 61 25.056 -0.390 8.896 1.00 1.00 C ATOM 1003 CD2 PHE A 61 25.300 -2.596 9.921 1.00 1.00 C ATOM 1004 CE1 PHE A 61 23.696 -0.663 8.636 1.00 1.00 C ATOM 1005 CE2 PHE A 61 23.940 -2.867 9.661 1.00 1.00 C ATOM 1006 CZ PHE A 61 23.138 -1.901 9.018 1.00 1.00 C ATOM 0 H PHE A 61 25.500 -0.096 11.117 1.00 1.00 H new ATOM 0 HA PHE A 61 28.238 -0.652 11.727 1.00 1.00 H new ATOM 0 HB2 PHE A 61 27.770 -0.605 8.927 1.00 1.00 H new ATOM 0 HB3 PHE A 61 27.853 -2.003 9.982 1.00 1.00 H new ATOM 0 HD1 PHE A 61 25.481 0.558 8.602 1.00 1.00 H new ATOM 0 HD2 PHE A 61 25.913 -3.338 10.412 1.00 1.00 H new ATOM 0 HE1 PHE A 61 23.082 0.077 8.144 1.00 1.00 H new ATOM 0 HE2 PHE A 61 23.513 -3.815 9.954 1.00 1.00 H new ATOM 0 HZ PHE A 61 22.097 -2.109 8.818 1.00 1.00 H new ATOM 1016 N VAL A 62 29.335 1.026 9.763 1.00 1.00 N ATOM 1017 CA VAL A 62 30.076 2.175 9.271 1.00 1.00 C ATOM 1018 C VAL A 62 30.000 2.209 7.743 1.00 1.00 C ATOM 1019 O VAL A 62 30.530 1.288 7.105 1.00 1.00 O ATOM 1020 CB VAL A 62 31.511 2.137 9.797 1.00 1.00 C ATOM 1021 CG1 VAL A 62 31.580 1.433 11.153 1.00 1.00 C ATOM 1022 CG2 VAL A 62 32.449 1.473 8.786 1.00 1.00 C ATOM 0 H VAL A 62 29.690 0.127 9.436 1.00 1.00 H new ATOM 0 HA VAL A 62 29.634 3.101 9.640 1.00 1.00 H new ATOM 0 HB VAL A 62 31.843 3.166 9.937 1.00 1.00 H new ATOM 0 HG11 VAL A 62 32.612 1.420 11.504 1.00 1.00 H new ATOM 0 HG12 VAL A 62 30.959 1.967 11.872 1.00 1.00 H new ATOM 0 HG13 VAL A 62 31.219 0.410 11.051 1.00 1.00 H new ATOM 0 HG21 VAL A 62 33.463 1.459 9.185 1.00 1.00 H new ATOM 0 HG22 VAL A 62 32.118 0.451 8.600 1.00 1.00 H new ATOM 0 HG23 VAL A 62 32.434 2.035 7.852 1.00 1.00 H new ATOM 1032 N LYS A 63 29.353 3.254 7.195 1.00 1.00 N ATOM 1033 CA LYS A 63 29.211 3.403 5.757 1.00 1.00 C ATOM 1034 C LYS A 63 30.131 4.525 5.272 1.00 1.00 C ATOM 1035 O LYS A 63 30.084 5.619 5.852 1.00 1.00 O ATOM 1036 CB LYS A 63 27.741 3.608 5.382 1.00 1.00 C ATOM 1037 CG LYS A 63 27.196 4.902 5.990 1.00 1.00 C ATOM 1038 CD LYS A 63 26.045 4.612 6.956 1.00 1.00 C ATOM 1039 CE LYS A 63 24.699 4.984 6.333 1.00 1.00 C ATOM 1040 NZ LYS A 63 24.092 6.115 7.053 1.00 1.00 N ATOM 0 H LYS A 63 28.924 4.003 7.738 1.00 1.00 H new ATOM 0 HA LYS A 63 29.522 2.491 5.247 1.00 1.00 H new ATOM 0 HB2 LYS A 63 27.640 3.641 4.297 1.00 1.00 H new ATOM 0 HB3 LYS A 63 27.151 2.761 5.732 1.00 1.00 H new ATOM 0 HG2 LYS A 63 27.994 5.425 6.517 1.00 1.00 H new ATOM 0 HG3 LYS A 63 26.851 5.564 5.196 1.00 1.00 H new ATOM 0 HD2 LYS A 63 26.047 3.555 7.222 1.00 1.00 H new ATOM 0 HD3 LYS A 63 26.190 5.173 7.879 1.00 1.00 H new ATOM 0 HE2 LYS A 63 24.837 5.245 5.284 1.00 1.00 H new ATOM 0 HE3 LYS A 63 24.029 4.125 6.362 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 23.112 6.246 6.731 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 24.097 5.919 8.074 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 24.637 6.980 6.863 1.00 1.00 H new ATOM 1054 N ILE A 64 30.937 4.236 4.234 1.00 1.00 N ATOM 1055 CA ILE A 64 31.858 5.213 3.679 1.00 1.00 C ATOM 1056 C ILE A 64 31.103 6.127 2.711 1.00 1.00 C ATOM 1057 O ILE A 64 30.659 5.637 1.663 1.00 1.00 O ATOM 1058 CB ILE A 64 33.065 4.515 3.049 1.00 1.00 C ATOM 1059 CG1 ILE A 64 33.438 3.254 3.831 1.00 1.00 C ATOM 1060 CG2 ILE A 64 34.246 5.477 2.914 1.00 1.00 C ATOM 1061 CD1 ILE A 64 33.581 2.051 2.896 1.00 1.00 C ATOM 0 H ILE A 64 30.960 3.328 3.770 1.00 1.00 H new ATOM 0 HA ILE A 64 32.261 5.847 4.469 1.00 1.00 H new ATOM 0 HB ILE A 64 32.791 4.200 2.042 1.00 1.00 H new ATOM 0 HG12 ILE A 64 34.374 3.417 4.366 1.00 1.00 H new ATOM 0 HG13 ILE A 64 32.674 3.048 4.581 1.00 1.00 H new ATOM 0 HG21 ILE A 64 35.090 4.955 2.464 1.00 1.00 H new ATOM 0 HG22 ILE A 64 33.960 6.318 2.282 1.00 1.00 H new ATOM 0 HG23 ILE A 64 34.531 5.844 3.900 1.00 1.00 H new ATOM 0 HD11 ILE A 64 33.846 1.168 3.477 1.00 1.00 H new ATOM 0 HD12 ILE A 64 32.636 1.876 2.381 1.00 1.00 H new ATOM 0 HD13 ILE A 64 34.362 2.251 2.163 1.00 1.00 H new ATOM 1073 N PRO A 65 30.974 7.415 3.076 1.00 1.00 N ATOM 1074 CA PRO A 65 30.287 8.412 2.273 1.00 1.00 C ATOM 1075 C PRO A 65 31.138 8.831 1.073 1.00 1.00 C ATOM 1076 O PRO A 65 30.704 9.717 0.323 1.00 1.00 O ATOM 1077 CB PRO A 65 30.001 9.559 3.228 1.00 1.00 C ATOM 1078 CG PRO A 65 30.943 9.365 4.406 1.00 1.00 C ATOM 1079 CD PRO A 65 31.511 7.957 4.321 1.00 1.00 C ATOM 0 HA PRO A 65 29.362 8.035 1.837 1.00 1.00 H new ATOM 0 HB2 PRO A 65 30.172 10.521 2.745 1.00 1.00 H new ATOM 0 HB3 PRO A 65 28.961 9.546 3.553 1.00 1.00 H new ATOM 0 HG2 PRO A 65 31.745 10.103 4.379 1.00 1.00 H new ATOM 0 HG3 PRO A 65 30.412 9.506 5.347 1.00 1.00 H new ATOM 0 HD2 PRO A 65 32.601 7.970 4.310 1.00 1.00 H new ATOM 0 HD3 PRO A 65 31.208 7.355 5.178 1.00 1.00 H new ATOM 1087 N ARG A 66 32.314 8.196 0.918 1.00 1.00 N ATOM 1088 CA ARG A 66 33.215 8.502 -0.181 1.00 1.00 C ATOM 1089 C ARG A 66 34.483 7.656 -0.045 1.00 1.00 C ATOM 1090 O ARG A 66 35.536 8.222 0.284 1.00 1.00 O ATOM 1091 CB ARG A 66 33.598 9.983 -0.201 1.00 1.00 C ATOM 1092 CG ARG A 66 34.020 10.421 -1.604 1.00 1.00 C ATOM 1093 CD ARG A 66 33.143 11.570 -2.107 1.00 1.00 C ATOM 1094 NE ARG A 66 33.873 12.852 -1.991 1.00 1.00 N ATOM 1095 CZ ARG A 66 34.836 13.255 -2.847 1.00 1.00 C ATOM 1096 NH1 ARG A 66 35.167 12.459 -3.873 1.00 1.00 N ATOM 1097 NH2 ARG A 66 35.451 14.432 -2.674 1.00 1.00 N ATOM 0 H ARG A 66 32.653 7.468 1.547 1.00 1.00 H new ATOM 0 HA ARG A 66 32.700 8.272 -1.114 1.00 1.00 H new ATOM 0 HB2 ARG A 66 32.753 10.585 0.133 1.00 1.00 H new ATOM 0 HB3 ARG A 66 34.413 10.161 0.500 1.00 1.00 H new ATOM 0 HG2 ARG A 66 35.064 10.734 -1.592 1.00 1.00 H new ATOM 0 HG3 ARG A 66 33.948 9.577 -2.290 1.00 1.00 H new ATOM 0 HD2 ARG A 66 32.861 11.395 -3.145 1.00 1.00 H new ATOM 0 HD3 ARG A 66 32.220 11.614 -1.529 1.00 1.00 H new ATOM 0 HE ARG A 66 33.634 13.470 -1.216 1.00 1.00 H new ATOM 0 HH11 ARG A 66 34.694 11.564 -3.998 1.00 1.00 H new ATOM 0 HH12 ARG A 66 35.892 12.748 -4.529 1.00 1.00 H new ATOM 0 HH21 ARG A 66 35.193 15.032 -1.891 1.00 1.00 H new ATOM 0 HH22 ARG A 66 36.178 14.728 -3.326 1.00 1.00 H new ATOM 1111 N GLU A 67 34.359 6.341 -0.296 1.00 1.00 N ATOM 1112 CA GLU A 67 35.487 5.430 -0.202 1.00 1.00 C ATOM 1113 C GLU A 67 36.411 5.642 -1.404 1.00 1.00 C ATOM 1114 O GLU A 67 35.953 6.212 -2.405 1.00 1.00 O ATOM 1115 CB GLU A 67 35.028 3.973 -0.116 1.00 1.00 C ATOM 1116 CG GLU A 67 33.867 3.706 -1.076 1.00 1.00 C ATOM 1117 CD GLU A 67 32.525 3.760 -0.343 1.00 1.00 C ATOM 1118 OE1 GLU A 67 32.202 2.843 0.426 1.00 1.00 O ATOM 1119 OE2 GLU A 67 31.807 4.801 -0.596 1.00 1.00 O ATOM 0 H GLU A 67 33.482 5.895 -0.565 1.00 1.00 H new ATOM 0 HA GLU A 67 36.034 5.646 0.716 1.00 1.00 H new ATOM 0 HB2 GLU A 67 35.861 3.311 -0.354 1.00 1.00 H new ATOM 0 HB3 GLU A 67 34.721 3.745 0.904 1.00 1.00 H new ATOM 0 HG2 GLU A 67 33.877 4.444 -1.878 1.00 1.00 H new ATOM 0 HG3 GLU A 67 33.992 2.728 -1.541 1.00 1.00 H new ATOM 1204 N GLY A 74 29.433 -0.173 -4.966 1.00 1.00 N ATOM 1205 CA GLY A 74 28.657 0.559 -3.979 1.00 1.00 C ATOM 1206 C GLY A 74 29.593 1.085 -2.889 1.00 1.00 C ATOM 1207 O GLY A 74 30.461 1.912 -3.205 1.00 1.00 O ATOM 0 HA2 GLY A 74 28.132 1.387 -4.454 1.00 1.00 H new ATOM 0 HA3 GLY A 74 27.899 -0.090 -3.541 1.00 1.00 H new ATOM 1211 N ASN A 75 29.402 0.603 -1.648 1.00 1.00 N ATOM 1212 CA ASN A 75 30.223 1.021 -0.524 1.00 1.00 C ATOM 1213 C ASN A 75 30.659 -0.211 0.271 1.00 1.00 C ATOM 1214 O ASN A 75 30.628 -1.316 -0.291 1.00 1.00 O ATOM 1215 CB ASN A 75 29.441 1.939 0.418 1.00 1.00 C ATOM 1216 CG ASN A 75 28.623 2.964 -0.370 1.00 1.00 C ATOM 1217 OD1 ASN A 75 29.066 4.065 -0.654 1.00 1.00 O ATOM 1218 ND2 ASN A 75 27.406 2.543 -0.705 1.00 1.00 N ATOM 0 H ASN A 75 28.681 -0.078 -1.409 1.00 1.00 H new ATOM 0 HA ASN A 75 31.085 1.559 -0.919 1.00 1.00 H new ATOM 0 HB2 ASN A 75 28.777 1.343 1.045 1.00 1.00 H new ATOM 0 HB3 ASN A 75 30.132 2.455 1.085 1.00 1.00 H new ATOM 0 HD21 ASN A 75 26.782 3.154 -1.231 1.00 1.00 H new ATOM 0 HD22 ASN A 75 27.097 1.609 -0.436 1.00 1.00 H new ATOM 1225 N TYR A 76 31.051 -0.002 1.540 1.00 1.00 N ATOM 1226 CA TYR A 76 31.481 -1.131 2.347 1.00 1.00 C ATOM 1227 C TYR A 76 31.076 -0.895 3.803 1.00 1.00 C ATOM 1228 O TYR A 76 31.911 -0.385 4.565 1.00 1.00 O ATOM 1229 CB TYR A 76 33.000 -1.337 2.201 1.00 1.00 C ATOM 1230 CG TYR A 76 33.536 -1.108 0.795 1.00 1.00 C ATOM 1231 CD1 TYR A 76 33.081 -1.912 -0.275 1.00 1.00 C ATOM 1232 CD2 TYR A 76 34.484 -0.088 0.548 1.00 1.00 C ATOM 1233 CE1 TYR A 76 33.573 -1.701 -1.581 1.00 1.00 C ATOM 1234 CE2 TYR A 76 34.976 0.123 -0.758 1.00 1.00 C ATOM 1235 CZ TYR A 76 34.521 -0.684 -1.824 1.00 1.00 C ATOM 1236 OH TYR A 76 34.995 -0.484 -3.089 1.00 1.00 O ATOM 0 H TYR A 76 31.076 0.905 2.005 1.00 1.00 H new ATOM 0 HA TYR A 76 30.994 -2.043 2.002 1.00 1.00 H new ATOM 0 HB2 TYR A 76 33.513 -0.662 2.886 1.00 1.00 H new ATOM 0 HB3 TYR A 76 33.247 -2.353 2.510 1.00 1.00 H new ATOM 0 HD1 TYR A 76 32.355 -2.690 -0.093 1.00 1.00 H new ATOM 0 HD2 TYR A 76 34.833 0.531 1.361 1.00 1.00 H new ATOM 0 HE1 TYR A 76 33.224 -2.318 -2.395 1.00 1.00 H new ATOM 0 HE2 TYR A 76 35.701 0.902 -0.942 1.00 1.00 H new ATOM 0 HH TYR A 76 35.639 0.255 -3.084 1.00 1.00 H new ATOM 1246 N TRP A 77 29.828 -1.253 4.155 1.00 1.00 N ATOM 1247 CA TRP A 77 29.327 -1.069 5.507 1.00 1.00 C ATOM 1248 C TRP A 77 29.871 -2.183 6.404 1.00 1.00 C ATOM 1249 O TRP A 77 29.818 -3.351 5.991 1.00 1.00 O ATOM 1250 CB TRP A 77 27.798 -0.999 5.500 1.00 1.00 C ATOM 1251 CG TRP A 77 27.231 0.136 4.646 1.00 1.00 C ATOM 1252 CD1 TRP A 77 27.798 0.737 3.591 1.00 1.00 C ATOM 1253 CD2 TRP A 77 25.953 0.785 4.817 1.00 1.00 C ATOM 1254 NE1 TRP A 77 26.983 1.723 3.072 1.00 1.00 N ATOM 1255 CE2 TRP A 77 25.826 1.753 3.841 1.00 1.00 C ATOM 1256 CE3 TRP A 77 24.939 0.561 5.765 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 24.698 2.574 3.719 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 23.819 1.390 5.629 1.00 1.00 C ATOM 1259 CH2 TRP A 77 23.675 2.369 4.653 1.00 1.00 C ATOM 0 H TRP A 77 29.155 -1.671 3.512 1.00 1.00 H new ATOM 0 HA TRP A 77 29.677 -0.121 5.915 1.00 1.00 H new ATOM 0 HB2 TRP A 77 27.403 -1.947 5.135 1.00 1.00 H new ATOM 0 HB3 TRP A 77 27.445 -0.880 6.524 1.00 1.00 H new ATOM 0 HD1 TRP A 77 28.770 0.482 3.196 1.00 1.00 H new ATOM 0 HE1 TRP A 77 27.192 2.320 2.271 1.00 1.00 H new ATOM 0 HE3 TRP A 77 25.018 -0.191 6.537 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 24.621 3.325 2.946 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 23.010 1.260 6.332 1.00 1.00 H new ATOM 0 HH2 TRP A 77 22.778 2.969 4.615 1.00 1.00 H new ATOM 1270 N THR A 78 30.374 -1.807 7.593 1.00 1.00 N ATOM 1271 CA THR A 78 30.921 -2.768 8.536 1.00 1.00 C ATOM 1272 C THR A 78 30.137 -2.691 9.848 1.00 1.00 C ATOM 1273 O THR A 78 29.913 -1.574 10.337 1.00 1.00 O ATOM 1274 CB THR A 78 32.416 -2.490 8.705 1.00 1.00 C ATOM 1275 OG1 THR A 78 32.466 -1.404 9.625 1.00 1.00 O ATOM 1276 CG2 THR A 78 33.054 -1.930 7.432 1.00 1.00 C ATOM 0 H THR A 78 30.408 -0.839 7.914 1.00 1.00 H new ATOM 0 HA THR A 78 30.820 -3.790 8.171 1.00 1.00 H new ATOM 0 HB THR A 78 32.926 -3.409 8.993 1.00 1.00 H new ATOM 0 HG1 THR A 78 33.400 -1.160 9.792 1.00 1.00 H new ATOM 0 HG21 THR A 78 34.115 -1.750 7.605 1.00 1.00 H new ATOM 0 HG22 THR A 78 32.936 -2.647 6.620 1.00 1.00 H new ATOM 0 HG23 THR A 78 32.567 -0.993 7.163 1.00 1.00 H new ATOM 1284 N LEU A 79 29.741 -3.860 10.382 1.00 1.00 N ATOM 1285 CA LEU A 79 28.990 -3.924 11.625 1.00 1.00 C ATOM 1286 C LEU A 79 29.892 -3.494 12.784 1.00 1.00 C ATOM 1287 O LEU A 79 30.955 -4.107 12.963 1.00 1.00 O ATOM 1288 CB LEU A 79 28.374 -5.312 11.808 1.00 1.00 C ATOM 1289 CG LEU A 79 26.846 -5.379 11.769 1.00 1.00 C ATOM 1290 CD1 LEU A 79 26.349 -5.760 10.373 1.00 1.00 C ATOM 1291 CD2 LEU A 79 26.311 -6.324 12.846 1.00 1.00 C ATOM 0 H LEU A 79 29.935 -4.769 9.962 1.00 1.00 H new ATOM 0 HA LEU A 79 28.151 -3.229 11.599 1.00 1.00 H new ATOM 0 HB2 LEU A 79 28.766 -5.967 11.030 1.00 1.00 H new ATOM 0 HB3 LEU A 79 28.711 -5.714 12.763 1.00 1.00 H new ATOM 0 HG LEU A 79 26.455 -4.386 11.990 1.00 1.00 H new ATOM 0 HD11 LEU A 79 25.260 -5.801 10.373 1.00 1.00 H new ATOM 0 HD12 LEU A 79 26.684 -5.015 9.651 1.00 1.00 H new ATOM 0 HD13 LEU A 79 26.748 -6.736 10.099 1.00 1.00 H new ATOM 0 HD21 LEU A 79 25.223 -6.353 12.796 1.00 1.00 H new ATOM 0 HD22 LEU A 79 26.709 -7.325 12.682 1.00 1.00 H new ATOM 0 HD23 LEU A 79 26.620 -5.968 13.829 1.00 1.00 H new ATOM 1303 N ASP A 80 29.459 -2.465 13.534 1.00 1.00 N ATOM 1304 CA ASP A 80 30.221 -1.961 14.663 1.00 1.00 C ATOM 1305 C ASP A 80 30.202 -2.996 15.790 1.00 1.00 C ATOM 1306 O ASP A 80 29.124 -3.232 16.355 1.00 1.00 O ATOM 1307 CB ASP A 80 29.614 -0.664 15.203 1.00 1.00 C ATOM 1308 CG ASP A 80 28.293 -0.833 15.955 1.00 1.00 C ATOM 1309 OD1 ASP A 80 27.214 -0.891 15.346 1.00 1.00 O ATOM 1310 OD2 ASP A 80 28.401 -0.905 17.239 1.00 1.00 O ATOM 0 H ASP A 80 28.581 -1.973 13.368 1.00 1.00 H new ATOM 0 HA ASP A 80 31.239 -1.769 14.323 1.00 1.00 H new ATOM 0 HB2 ASP A 80 30.336 -0.192 15.869 1.00 1.00 H new ATOM 0 HB3 ASP A 80 29.455 0.020 14.369 1.00 1.00 H new