USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 566 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 39 LYS NZ :NH3+ -179:sc= 0.213 (180deg=0.214) USER MOD Set 1.2: A 40 MET CE :methyl -179:sc= -0.0105 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 9 MET CE :methyl -149:sc= 0 (180deg=-0.446) USER MOD Single : A 10 GLN : amide:sc= -5.69! C(o=-5.7!,f=-5.6!) USER MOD Single : A 16 ASN : amide:sc= -0.0792 X(o=-0.079,f=-0.004) USER MOD Single : A 19 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.25) USER MOD Single : A 21 THR OG1 : rot 87:sc= 0.00038 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.75) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0305 X(o=-0.031,f=-0.055) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= -0.0565 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 6 11.731 3.024 1.649 1.00 0.00 N ATOM 75 CA VAL A 6 12.476 4.096 2.298 1.00 0.00 C ATOM 76 C VAL A 6 11.536 5.079 2.987 1.00 0.00 C ATOM 77 O VAL A 6 10.403 5.281 2.549 1.00 0.00 O ATOM 78 CB VAL A 6 13.352 4.862 1.289 1.00 0.00 C ATOM 79 CG1 VAL A 6 14.515 3.997 0.828 1.00 0.00 C ATOM 80 CG2 VAL A 6 12.519 5.325 0.104 1.00 0.00 C ATOM 0 HA VAL A 6 13.119 3.628 3.044 1.00 0.00 H new ATOM 0 HB VAL A 6 13.759 5.744 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.123 4.554 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.125 3.720 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.131 3.096 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.154 5.864 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.081 4.460 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.724 5.984 0.453 1.00 0.00 H new ATOM 90 N ILE A 7 12.013 5.688 4.067 1.00 0.00 N ATOM 91 CA ILE A 7 11.216 6.652 4.816 1.00 0.00 C ATOM 92 C ILE A 7 12.017 7.915 5.114 1.00 0.00 C ATOM 93 O ILE A 7 13.154 7.844 5.579 1.00 0.00 O ATOM 94 CB ILE A 7 10.709 6.054 6.141 1.00 0.00 C ATOM 95 CG1 ILE A 7 11.888 5.619 7.014 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.781 4.879 5.872 1.00 0.00 C ATOM 97 CD1 ILE A 7 12.201 6.588 8.133 1.00 0.00 C ATOM 0 H ILE A 7 12.948 5.531 4.443 1.00 0.00 H new ATOM 0 HA ILE A 7 10.360 6.907 4.191 1.00 0.00 H new ATOM 0 HB ILE A 7 10.148 6.820 6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.671 4.640 7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.772 5.504 6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.431 4.467 6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.927 5.217 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.319 4.109 5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.047 6.216 8.711 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.449 7.562 7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.332 6.685 8.784 1.00 0.00 H new ATOM 109 N GLN A 8 11.415 9.068 4.843 1.00 0.00 N ATOM 110 CA GLN A 8 12.072 10.347 5.084 1.00 0.00 C ATOM 111 C GLN A 8 11.740 10.877 6.475 1.00 0.00 C ATOM 112 O GLN A 8 10.574 10.949 6.860 1.00 0.00 O ATOM 113 CB GLN A 8 11.654 11.367 4.024 1.00 0.00 C ATOM 114 CG GLN A 8 10.176 11.722 4.071 1.00 0.00 C ATOM 115 CD GLN A 8 9.706 12.430 2.815 1.00 0.00 C ATOM 116 OE1 GLN A 8 10.514 12.908 2.018 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.392 12.499 2.631 1.00 0.00 N ATOM 0 H GLN A 8 10.474 9.143 4.457 1.00 0.00 H new ATOM 0 HA GLN A 8 13.149 10.190 5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.242 12.276 4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.893 10.972 3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.592 10.812 4.211 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.986 12.359 4.935 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.759 12.089 3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.017 12.962 1.803 1.00 0.00 H new ATOM 126 N MET A 9 12.774 11.245 7.225 1.00 0.00 N ATOM 127 CA MET A 9 12.591 11.769 8.573 1.00 0.00 C ATOM 128 C MET A 9 12.919 13.258 8.628 1.00 0.00 C ATOM 129 O MET A 9 13.535 13.800 7.710 1.00 0.00 O ATOM 130 CB MET A 9 13.471 11.004 9.564 1.00 0.00 C ATOM 131 CG MET A 9 13.396 9.495 9.404 1.00 0.00 C ATOM 132 SD MET A 9 13.634 8.618 10.961 1.00 0.00 S ATOM 133 CE MET A 9 11.936 8.274 11.418 1.00 0.00 C ATOM 0 H MET A 9 13.746 11.190 6.922 1.00 0.00 H new ATOM 0 HA MET A 9 11.545 11.636 8.848 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.506 11.323 9.440 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.175 11.269 10.579 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.427 9.226 8.985 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.153 9.171 8.690 1.00 0.00 H new ATOM 0 HE1 MET A 9 11.847 8.260 12.504 1.00 0.00 H new ATOM 0 HE2 MET A 9 11.286 9.048 11.011 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.641 7.304 11.017 1.00 0.00 H new ATOM 143 N GLN A 10 12.504 13.912 9.707 1.00 0.00 N ATOM 144 CA GLN A 10 12.753 15.338 9.879 1.00 0.00 C ATOM 145 C GLN A 10 13.818 15.580 10.944 1.00 0.00 C ATOM 146 O GLN A 10 13.587 15.353 12.131 1.00 0.00 O ATOM 147 CB GLN A 10 11.461 16.062 10.260 1.00 0.00 C ATOM 148 CG GLN A 10 10.323 15.832 9.279 1.00 0.00 C ATOM 149 CD GLN A 10 10.329 16.826 8.135 1.00 0.00 C ATOM 150 OE1 GLN A 10 9.463 17.698 8.050 1.00 0.00 O ATOM 151 NE2 GLN A 10 11.309 16.702 7.247 1.00 0.00 N ATOM 0 H GLN A 10 11.994 13.477 10.476 1.00 0.00 H new ATOM 0 HA GLN A 10 13.116 15.734 8.931 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.148 15.732 11.251 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.660 17.131 10.328 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.393 14.821 8.877 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.373 15.899 9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.006 15.965 7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.365 17.344 6.456 1.00 0.00 H new ATOM 160 N GLY A 11 14.988 16.042 10.511 1.00 0.00 N ATOM 161 CA GLY A 11 16.071 16.306 11.439 1.00 0.00 C ATOM 162 C GLY A 11 16.668 17.687 11.256 1.00 0.00 C ATOM 163 O GLY A 11 16.433 18.341 10.240 1.00 0.00 O ATOM 0 H GLY A 11 15.204 16.238 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.703 16.205 12.460 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.851 15.556 11.306 1.00 0.00 H new ATOM 167 N GLU A 12 17.440 18.132 12.242 1.00 0.00 N ATOM 168 CA GLU A 12 18.070 19.446 12.184 1.00 0.00 C ATOM 169 C GLU A 12 19.579 19.319 11.999 1.00 0.00 C ATOM 170 O GLU A 12 20.218 18.451 12.594 1.00 0.00 O ATOM 171 CB GLU A 12 17.767 20.238 13.458 1.00 0.00 C ATOM 172 CG GLU A 12 18.450 21.594 13.509 1.00 0.00 C ATOM 173 CD GLU A 12 18.116 22.368 14.770 1.00 0.00 C ATOM 174 OE1 GLU A 12 17.030 22.982 14.819 1.00 0.00 O ATOM 175 OE2 GLU A 12 18.942 22.361 15.707 1.00 0.00 O ATOM 0 H GLU A 12 17.644 17.603 13.090 1.00 0.00 H new ATOM 0 HA GLU A 12 17.660 19.979 11.326 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.689 20.380 13.540 1.00 0.00 H new ATOM 0 HB3 GLU A 12 18.078 19.652 14.323 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.529 21.456 13.447 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.153 22.179 12.639 1.00 0.00 H new ATOM 182 N VAL A 13 20.144 20.190 11.169 1.00 0.00 N ATOM 183 CA VAL A 13 21.577 20.176 10.904 1.00 0.00 C ATOM 184 C VAL A 13 22.371 20.524 12.158 1.00 0.00 C ATOM 185 O VAL A 13 22.029 21.460 12.882 1.00 0.00 O ATOM 186 CB VAL A 13 21.951 21.164 9.783 1.00 0.00 C ATOM 187 CG1 VAL A 13 23.458 21.200 9.583 1.00 0.00 C ATOM 188 CG2 VAL A 13 21.241 20.794 8.489 1.00 0.00 C ATOM 0 H VAL A 13 19.630 20.915 10.668 1.00 0.00 H new ATOM 0 HA VAL A 13 21.830 19.165 10.586 1.00 0.00 H new ATOM 0 HB VAL A 13 21.625 22.161 10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 13 23.703 21.903 8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.940 21.516 10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.813 20.206 9.310 1.00 0.00 H new ATOM 0 HG21 VAL A 13 21.516 21.502 7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 13 21.535 19.789 8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.163 20.826 8.644 1.00 0.00 H new ATOM 198 N ILE A 14 23.432 19.765 12.410 1.00 0.00 N ATOM 199 CA ILE A 14 24.276 19.994 13.576 1.00 0.00 C ATOM 200 C ILE A 14 25.709 20.310 13.164 1.00 0.00 C ATOM 201 O ILE A 14 26.418 21.038 13.858 1.00 0.00 O ATOM 202 CB ILE A 14 24.280 18.774 14.516 1.00 0.00 C ATOM 203 CG1 ILE A 14 24.985 19.117 15.830 1.00 0.00 C ATOM 204 CG2 ILE A 14 24.954 17.588 13.841 1.00 0.00 C ATOM 205 CD1 ILE A 14 25.008 17.974 16.820 1.00 0.00 C ATOM 0 H ILE A 14 23.728 18.986 11.822 1.00 0.00 H new ATOM 0 HA ILE A 14 23.857 20.849 14.106 1.00 0.00 H new ATOM 0 HB ILE A 14 23.248 18.503 14.739 1.00 0.00 H new ATOM 0 HG12 ILE A 14 26.009 19.421 15.615 1.00 0.00 H new ATOM 0 HG13 ILE A 14 24.488 19.973 16.287 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.949 16.733 14.517 1.00 0.00 H new ATOM 0 HG22 ILE A 14 24.413 17.332 12.930 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.983 17.848 13.592 1.00 0.00 H new ATOM 0 HD11 ILE A 14 25.523 18.289 17.727 1.00 0.00 H new ATOM 0 HD12 ILE A 14 23.986 17.684 17.065 1.00 0.00 H new ATOM 0 HD13 ILE A 14 25.531 17.124 16.382 1.00 0.00 H new ATOM 217 N GLU A 15 26.129 19.758 12.030 1.00 0.00 N ATOM 218 CA GLU A 15 27.478 19.982 11.525 1.00 0.00 C ATOM 219 C GLU A 15 27.489 20.024 9.999 1.00 0.00 C ATOM 220 O GLU A 15 26.691 19.355 9.344 1.00 0.00 O ATOM 221 CB GLU A 15 28.422 18.885 12.022 1.00 0.00 C ATOM 222 CG GLU A 15 29.852 19.356 12.221 1.00 0.00 C ATOM 223 CD GLU A 15 30.637 19.404 10.924 1.00 0.00 C ATOM 224 OE1 GLU A 15 30.238 18.713 9.963 1.00 0.00 O ATOM 225 OE2 GLU A 15 31.649 20.133 10.870 1.00 0.00 O ATOM 0 H GLU A 15 25.554 19.153 11.444 1.00 0.00 H new ATOM 0 HA GLU A 15 27.822 20.946 11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.043 18.492 12.966 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.416 18.061 11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.844 20.348 12.673 1.00 0.00 H new ATOM 0 HG3 GLU A 15 30.356 18.690 12.922 1.00 0.00 H new ATOM 232 N ASN A 16 28.398 20.816 9.441 1.00 0.00 N ATOM 233 CA ASN A 16 28.512 20.947 7.993 1.00 0.00 C ATOM 234 C ASN A 16 29.962 20.787 7.545 1.00 0.00 C ATOM 235 O ASN A 16 30.883 21.276 8.201 1.00 0.00 O ATOM 236 CB ASN A 16 27.973 22.305 7.539 1.00 0.00 C ATOM 237 CG ASN A 16 28.282 23.411 8.530 1.00 0.00 C ATOM 238 OD1 ASN A 16 29.299 24.095 8.416 1.00 0.00 O ATOM 239 ND2 ASN A 16 27.403 23.590 9.509 1.00 0.00 N ATOM 0 H ASN A 16 29.066 21.377 9.969 1.00 0.00 H new ATOM 0 HA ASN A 16 27.919 20.156 7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 16 28.404 22.558 6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 16 26.894 22.236 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 16 27.557 24.319 10.206 1.00 0.00 H new ATOM 0 HD22 ASN A 16 26.574 22.999 9.564 1.00 0.00 H new ATOM 246 N LEU A 17 30.157 20.101 6.425 1.00 0.00 N ATOM 247 CA LEU A 17 31.495 19.877 5.887 1.00 0.00 C ATOM 248 C LEU A 17 31.476 19.877 4.362 1.00 0.00 C ATOM 249 O LEU A 17 30.441 19.668 3.730 1.00 0.00 O ATOM 250 CB LEU A 17 32.057 18.551 6.402 1.00 0.00 C ATOM 251 CG LEU A 17 32.702 18.588 7.788 1.00 0.00 C ATOM 252 CD1 LEU A 17 33.063 17.184 8.247 1.00 0.00 C ATOM 253 CD2 LEU A 17 33.934 19.482 7.779 1.00 0.00 C ATOM 0 H LEU A 17 29.406 19.690 5.871 1.00 0.00 H new ATOM 0 HA LEU A 17 32.136 20.692 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 17 31.249 17.819 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 17 32.798 18.192 5.688 1.00 0.00 H new ATOM 0 HG LEU A 17 31.981 19.004 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 17 33.521 17.231 9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.161 16.573 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 17 33.766 16.740 7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 17 34.380 19.497 8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 17 34.658 19.096 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 17 33.647 20.494 7.495 1.00 0.00 H new ATOM 265 N PRO A 18 32.649 20.114 3.756 1.00 0.00 N ATOM 266 CA PRO A 18 32.794 20.144 2.297 1.00 0.00 C ATOM 267 C PRO A 18 32.638 18.762 1.671 1.00 0.00 C ATOM 268 O PRO A 18 32.231 17.811 2.337 1.00 0.00 O ATOM 269 CB PRO A 18 34.218 20.666 2.093 1.00 0.00 C ATOM 270 CG PRO A 18 34.940 20.295 3.343 1.00 0.00 C ATOM 271 CD PRO A 18 33.923 20.371 4.447 1.00 0.00 C ATOM 0 HA PRO A 18 32.028 20.759 1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 18 34.684 20.214 1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 18 34.226 21.745 1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 18 35.360 19.292 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 18 35.771 20.975 3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 18 34.116 19.630 5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 18 33.928 21.348 4.931 1.00 0.00 H new ATOM 279 N ASN A 19 32.965 18.659 0.387 1.00 0.00 N ATOM 280 CA ASN A 19 32.861 17.393 -0.329 1.00 0.00 C ATOM 281 C ASN A 19 31.409 16.929 -0.405 1.00 0.00 C ATOM 282 O ASN A 19 31.129 15.731 -0.396 1.00 0.00 O ATOM 283 CB ASN A 19 33.714 16.324 0.356 1.00 0.00 C ATOM 284 CG ASN A 19 35.026 16.878 0.879 1.00 0.00 C ATOM 285 OD1 ASN A 19 35.328 16.770 2.067 1.00 0.00 O ATOM 286 ND2 ASN A 19 35.811 17.476 -0.010 1.00 0.00 N ATOM 0 H ASN A 19 33.304 19.437 -0.179 1.00 0.00 H new ATOM 0 HA ASN A 19 33.229 17.547 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 19 33.152 15.889 1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 19 33.918 15.519 -0.350 1.00 0.00 H new ATOM 0 HD21 ASN A 19 36.706 17.869 0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 19 35.519 17.542 -0.985 1.00 0.00 H new ATOM 293 N ALA A 20 30.491 17.886 -0.481 1.00 0.00 N ATOM 294 CA ALA A 20 29.069 17.576 -0.562 1.00 0.00 C ATOM 295 C ALA A 20 28.652 16.619 0.549 1.00 0.00 C ATOM 296 O ALA A 20 28.174 15.515 0.286 1.00 0.00 O ATOM 297 CB ALA A 20 28.734 16.986 -1.924 1.00 0.00 C ATOM 0 H ALA A 20 30.706 18.883 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 20 28.512 18.504 -0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 20 27.669 16.759 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.986 17.705 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 20 29.307 16.071 -2.075 1.00 0.00 H new ATOM 303 N THR A 21 28.836 17.048 1.794 1.00 0.00 N ATOM 304 CA THR A 21 28.481 16.228 2.945 1.00 0.00 C ATOM 305 C THR A 21 27.889 17.078 4.064 1.00 0.00 C ATOM 306 O THR A 21 28.278 18.231 4.254 1.00 0.00 O ATOM 307 CB THR A 21 29.702 15.464 3.489 1.00 0.00 C ATOM 308 OG1 THR A 21 30.511 14.997 2.403 1.00 0.00 O ATOM 309 CG2 THR A 21 29.266 14.285 4.346 1.00 0.00 C ATOM 0 H THR A 21 29.229 17.959 2.030 1.00 0.00 H new ATOM 0 HA THR A 21 27.735 15.510 2.603 1.00 0.00 H new ATOM 0 HB THR A 21 30.284 16.147 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.150 15.695 2.147 1.00 0.00 H new ATOM 0 HG21 THR A 21 30.146 13.761 4.719 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.675 14.646 5.188 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.664 13.602 3.746 1.00 0.00 H new ATOM 317 N PHE A 22 26.946 16.502 4.803 1.00 0.00 N ATOM 318 CA PHE A 22 26.300 17.208 5.903 1.00 0.00 C ATOM 319 C PHE A 22 25.764 16.225 6.940 1.00 0.00 C ATOM 320 O PHE A 22 25.482 15.068 6.626 1.00 0.00 O ATOM 321 CB PHE A 22 25.160 18.083 5.377 1.00 0.00 C ATOM 322 CG PHE A 22 25.631 19.328 4.682 1.00 0.00 C ATOM 323 CD1 PHE A 22 25.927 20.472 5.406 1.00 0.00 C ATOM 324 CD2 PHE A 22 25.780 19.355 3.305 1.00 0.00 C ATOM 325 CE1 PHE A 22 26.360 21.619 4.769 1.00 0.00 C ATOM 326 CE2 PHE A 22 26.214 20.499 2.662 1.00 0.00 C ATOM 327 CZ PHE A 22 26.505 21.633 3.396 1.00 0.00 C ATOM 0 H PHE A 22 26.613 15.549 4.660 1.00 0.00 H new ATOM 0 HA PHE A 22 27.046 17.843 6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 22 24.553 17.498 4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 22 24.514 18.363 6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.818 20.467 6.480 1.00 0.00 H new ATOM 0 HD2 PHE A 22 25.554 18.471 2.727 1.00 0.00 H new ATOM 0 HE1 PHE A 22 26.585 22.504 5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 22 26.325 20.507 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.845 22.528 2.897 1.00 0.00 H new ATOM 337 N ARG A 23 25.628 16.693 8.176 1.00 0.00 N ATOM 338 CA ARG A 23 25.129 15.856 9.260 1.00 0.00 C ATOM 339 C ARG A 23 23.954 16.525 9.967 1.00 0.00 C ATOM 340 O ARG A 23 24.009 17.710 10.299 1.00 0.00 O ATOM 341 CB ARG A 23 26.245 15.566 10.265 1.00 0.00 C ATOM 342 CG ARG A 23 27.029 14.301 9.956 1.00 0.00 C ATOM 343 CD ARG A 23 27.779 13.798 11.179 1.00 0.00 C ATOM 344 NE ARG A 23 28.871 12.897 10.820 1.00 0.00 N ATOM 345 CZ ARG A 23 29.822 12.519 11.667 1.00 0.00 C ATOM 346 NH1 ARG A 23 29.814 12.962 12.917 1.00 0.00 N ATOM 347 NH2 ARG A 23 30.782 11.697 11.266 1.00 0.00 N ATOM 0 H ARG A 23 25.857 17.648 8.452 1.00 0.00 H new ATOM 0 HA ARG A 23 24.784 14.916 8.830 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.931 16.412 10.287 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.812 15.481 11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 23 26.348 13.527 9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 23 27.736 14.497 9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 23 28.178 14.647 11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.085 13.281 11.842 1.00 0.00 H new ATOM 0 HE ARG A 23 28.905 12.538 9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 23 29.077 13.594 13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 23 30.545 12.671 13.566 1.00 0.00 H new ATOM 0 HH21 ARG A 23 30.791 11.354 10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 23 31.511 11.408 11.918 1.00 0.00 H new ATOM 361 N VAL A 24 22.892 15.759 10.195 1.00 0.00 N ATOM 362 CA VAL A 24 21.705 16.277 10.863 1.00 0.00 C ATOM 363 C VAL A 24 21.163 15.275 11.877 1.00 0.00 C ATOM 364 O VAL A 24 21.177 14.067 11.641 1.00 0.00 O ATOM 365 CB VAL A 24 20.595 16.617 9.851 1.00 0.00 C ATOM 366 CG1 VAL A 24 21.132 17.522 8.753 1.00 0.00 C ATOM 367 CG2 VAL A 24 20.003 15.345 9.263 1.00 0.00 C ATOM 0 H VAL A 24 22.830 14.777 9.927 1.00 0.00 H new ATOM 0 HA VAL A 24 22.006 17.188 11.381 1.00 0.00 H new ATOM 0 HB VAL A 24 19.802 17.152 10.374 1.00 0.00 H new ATOM 0 HG11 VAL A 24 20.333 17.751 8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 24 21.504 18.447 9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 24 21.944 17.017 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 24 19.220 15.604 8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 24 20.785 14.781 8.755 1.00 0.00 H new ATOM 0 HG23 VAL A 24 19.579 14.738 10.063 1.00 0.00 H new ATOM 377 N LYS A 25 20.686 15.785 13.007 1.00 0.00 N ATOM 378 CA LYS A 25 20.137 14.937 14.059 1.00 0.00 C ATOM 379 C LYS A 25 18.613 14.928 14.010 1.00 0.00 C ATOM 380 O LYS A 25 17.978 15.979 13.913 1.00 0.00 O ATOM 381 CB LYS A 25 20.612 15.419 15.431 1.00 0.00 C ATOM 382 CG LYS A 25 20.101 14.571 16.584 1.00 0.00 C ATOM 383 CD LYS A 25 20.341 15.248 17.923 1.00 0.00 C ATOM 384 CE LYS A 25 21.824 15.326 18.251 1.00 0.00 C ATOM 385 NZ LYS A 25 22.084 16.175 19.446 1.00 0.00 N ATOM 0 H LYS A 25 20.668 16.783 13.218 1.00 0.00 H new ATOM 0 HA LYS A 25 20.494 13.920 13.895 1.00 0.00 H new ATOM 0 HB2 LYS A 25 21.702 15.422 15.448 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.288 16.449 15.577 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.035 14.385 16.455 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.598 13.601 16.571 1.00 0.00 H new ATOM 0 HD2 LYS A 25 19.918 16.252 17.905 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.822 14.698 18.708 1.00 0.00 H new ATOM 0 HE2 LYS A 25 22.210 14.322 18.428 1.00 0.00 H new ATOM 0 HE3 LYS A 25 22.365 15.729 17.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 23.106 16.203 19.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.739 17.140 19.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.589 15.776 20.269 1.00 0.00 H new ATOM 399 N LEU A 26 18.030 13.736 14.081 1.00 0.00 N ATOM 400 CA LEU A 26 16.579 13.590 14.047 1.00 0.00 C ATOM 401 C LEU A 26 15.971 13.879 15.415 1.00 0.00 C ATOM 402 O LEU A 26 16.511 14.666 16.191 1.00 0.00 O ATOM 403 CB LEU A 26 16.199 12.179 13.594 1.00 0.00 C ATOM 404 CG LEU A 26 17.082 11.561 12.510 1.00 0.00 C ATOM 405 CD1 LEU A 26 18.007 10.513 13.108 1.00 0.00 C ATOM 406 CD2 LEU A 26 16.227 10.954 11.407 1.00 0.00 C ATOM 0 H LEU A 26 18.540 12.857 14.162 1.00 0.00 H new ATOM 0 HA LEU A 26 16.182 14.313 13.334 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.214 11.523 14.465 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.172 12.200 13.229 1.00 0.00 H new ATOM 0 HG LEU A 26 17.695 12.350 12.074 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.628 10.084 12.321 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.644 10.977 13.861 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.413 9.725 13.571 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.873 10.519 10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.588 10.178 11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.607 11.730 10.958 1.00 0.00 H new ATOM 418 N GLU A 27 14.844 13.235 15.704 1.00 0.00 N ATOM 419 CA GLU A 27 14.164 13.422 16.980 1.00 0.00 C ATOM 420 C GLU A 27 14.590 12.357 17.986 1.00 0.00 C ATOM 421 O GLU A 27 14.652 12.613 19.188 1.00 0.00 O ATOM 422 CB GLU A 27 12.647 13.378 16.786 1.00 0.00 C ATOM 423 CG GLU A 27 12.107 11.981 16.527 1.00 0.00 C ATOM 424 CD GLU A 27 11.817 11.222 17.807 1.00 0.00 C ATOM 425 OE1 GLU A 27 11.323 11.846 18.769 1.00 0.00 O ATOM 426 OE2 GLU A 27 12.083 10.002 17.846 1.00 0.00 O ATOM 0 H GLU A 27 14.383 12.580 15.072 1.00 0.00 H new ATOM 0 HA GLU A 27 14.445 14.400 17.372 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.164 13.787 17.673 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.377 14.024 15.950 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.194 12.052 15.936 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.829 11.421 15.932 1.00 0.00 H new ATOM 433 N ASN A 28 14.883 11.162 17.484 1.00 0.00 N ATOM 434 CA ASN A 28 15.303 10.056 18.338 1.00 0.00 C ATOM 435 C ASN A 28 16.613 10.384 19.047 1.00 0.00 C ATOM 436 O ASN A 28 16.980 9.737 20.027 1.00 0.00 O ATOM 437 CB ASN A 28 15.462 8.778 17.512 1.00 0.00 C ATOM 438 CG ASN A 28 14.153 8.031 17.346 1.00 0.00 C ATOM 439 OD1 ASN A 28 13.504 7.666 18.327 1.00 0.00 O ATOM 440 ND2 ASN A 28 13.758 7.799 16.099 1.00 0.00 N ATOM 0 H ASN A 28 14.838 10.934 16.491 1.00 0.00 H new ATOM 0 HA ASN A 28 14.532 9.899 19.092 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.860 9.031 16.529 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.191 8.126 17.993 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.885 7.300 15.925 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.327 8.120 15.316 1.00 0.00 H new ATOM 447 N GLY A 29 17.316 11.394 18.543 1.00 0.00 N ATOM 448 CA GLY A 29 18.578 11.790 19.140 1.00 0.00 C ATOM 449 C GLY A 29 19.773 11.214 18.406 1.00 0.00 C ATOM 450 O GLY A 29 20.893 11.231 18.919 1.00 0.00 O ATOM 0 H GLY A 29 17.034 11.945 17.732 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.648 12.878 19.145 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.603 11.464 20.180 1.00 0.00 H new ATOM 454 N HIS A 30 19.536 10.701 17.203 1.00 0.00 N ATOM 455 CA HIS A 30 20.602 10.116 16.398 1.00 0.00 C ATOM 456 C HIS A 30 21.006 11.056 15.266 1.00 0.00 C ATOM 457 O HIS A 30 20.159 11.700 14.647 1.00 0.00 O ATOM 458 CB HIS A 30 20.156 8.771 15.824 1.00 0.00 C ATOM 459 CG HIS A 30 19.768 7.772 16.871 1.00 0.00 C ATOM 460 ND1 HIS A 30 18.899 6.729 16.630 1.00 0.00 N ATOM 461 CD2 HIS A 30 20.136 7.661 18.168 1.00 0.00 C ATOM 462 CE1 HIS A 30 18.748 6.020 17.735 1.00 0.00 C ATOM 463 NE2 HIS A 30 19.489 6.565 18.683 1.00 0.00 N ATOM 0 H HIS A 30 18.615 10.679 16.764 1.00 0.00 H new ATOM 0 HA HIS A 30 21.467 9.959 17.043 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.310 8.933 15.157 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.964 8.357 15.220 1.00 0.00 H new ATOM 0 HD2 HIS A 30 20.813 8.313 18.700 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.125 5.145 17.844 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.568 6.227 19.642 1.00 0.00 H new ATOM 471 N VAL A 31 22.307 11.130 15.001 1.00 0.00 N ATOM 472 CA VAL A 31 22.824 11.991 13.944 1.00 0.00 C ATOM 473 C VAL A 31 23.107 11.193 12.675 1.00 0.00 C ATOM 474 O VAL A 31 23.808 10.182 12.708 1.00 0.00 O ATOM 475 CB VAL A 31 24.113 12.708 14.385 1.00 0.00 C ATOM 476 CG1 VAL A 31 23.807 13.749 15.451 1.00 0.00 C ATOM 477 CG2 VAL A 31 25.137 11.702 14.889 1.00 0.00 C ATOM 0 H VAL A 31 23.022 10.604 15.504 1.00 0.00 H new ATOM 0 HA VAL A 31 22.056 12.736 13.738 1.00 0.00 H new ATOM 0 HB VAL A 31 24.536 13.221 13.521 1.00 0.00 H new ATOM 0 HG11 VAL A 31 24.730 14.245 15.750 1.00 0.00 H new ATOM 0 HG12 VAL A 31 23.112 14.487 15.050 1.00 0.00 H new ATOM 0 HG13 VAL A 31 23.360 13.262 16.317 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.042 12.227 15.196 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.725 11.159 15.740 1.00 0.00 H new ATOM 0 HG23 VAL A 31 25.379 10.998 14.092 1.00 0.00 H new ATOM 487 N VAL A 32 22.557 11.656 11.557 1.00 0.00 N ATOM 488 CA VAL A 32 22.752 10.987 10.276 1.00 0.00 C ATOM 489 C VAL A 32 23.778 11.724 9.422 1.00 0.00 C ATOM 490 O VAL A 32 23.796 12.954 9.376 1.00 0.00 O ATOM 491 CB VAL A 32 21.430 10.880 9.492 1.00 0.00 C ATOM 492 CG1 VAL A 32 20.455 9.962 10.213 1.00 0.00 C ATOM 493 CG2 VAL A 32 20.822 12.259 9.283 1.00 0.00 C ATOM 0 H VAL A 32 21.973 12.491 11.512 1.00 0.00 H new ATOM 0 HA VAL A 32 23.119 9.984 10.495 1.00 0.00 H new ATOM 0 HB VAL A 32 21.641 10.449 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 32 19.527 9.898 9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 32 20.892 8.968 10.306 1.00 0.00 H new ATOM 0 HG13 VAL A 32 20.246 10.361 11.206 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.889 12.165 8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.623 12.720 10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 32 21.518 12.882 8.721 1.00 0.00 H new ATOM 503 N LEU A 33 24.632 10.963 8.747 1.00 0.00 N ATOM 504 CA LEU A 33 25.663 11.543 7.892 1.00 0.00 C ATOM 505 C LEU A 33 25.503 11.072 6.450 1.00 0.00 C ATOM 506 O LEU A 33 25.244 9.897 6.195 1.00 0.00 O ATOM 507 CB LEU A 33 27.053 11.170 8.411 1.00 0.00 C ATOM 508 CG LEU A 33 27.326 9.675 8.583 1.00 0.00 C ATOM 509 CD1 LEU A 33 27.814 9.068 7.277 1.00 0.00 C ATOM 510 CD2 LEU A 33 28.340 9.443 9.694 1.00 0.00 C ATOM 0 H LEU A 33 24.632 9.943 8.775 1.00 0.00 H new ATOM 0 HA LEU A 33 25.552 12.627 7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 33 27.796 11.578 7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 33 27.203 11.660 9.373 1.00 0.00 H new ATOM 0 HG LEU A 33 26.394 9.184 8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 33 28.003 8.004 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 33 27.054 9.202 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 33 28.735 9.562 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 33 28.522 8.374 9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 33 29.274 9.947 9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 33 27.951 9.842 10.631 1.00 0.00 H new ATOM 522 N GLY A 34 25.661 11.998 5.509 1.00 0.00 N ATOM 523 CA GLY A 34 25.533 11.659 4.104 1.00 0.00 C ATOM 524 C GLY A 34 25.747 12.854 3.197 1.00 0.00 C ATOM 525 O GLY A 34 26.335 13.855 3.606 1.00 0.00 O ATOM 0 H GLY A 34 25.876 12.978 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 34 26.256 10.883 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 34 24.542 11.242 3.923 1.00 0.00 H new ATOM 529 N HIS A 35 25.270 12.749 1.961 1.00 0.00 N ATOM 530 CA HIS A 35 25.413 13.830 0.992 1.00 0.00 C ATOM 531 C HIS A 35 24.050 14.382 0.587 1.00 0.00 C ATOM 532 O HIS A 35 23.067 13.643 0.517 1.00 0.00 O ATOM 533 CB HIS A 35 26.165 13.338 -0.246 1.00 0.00 C ATOM 534 CG HIS A 35 25.540 12.137 -0.887 1.00 0.00 C ATOM 535 ND1 HIS A 35 24.603 12.224 -1.895 1.00 0.00 N ATOM 536 CD2 HIS A 35 25.725 10.815 -0.660 1.00 0.00 C ATOM 537 CE1 HIS A 35 24.237 11.008 -2.259 1.00 0.00 C ATOM 538 NE2 HIS A 35 24.904 10.135 -1.525 1.00 0.00 N ATOM 0 H HIS A 35 24.781 11.927 1.607 1.00 0.00 H new ATOM 0 HA HIS A 35 25.984 14.631 1.461 1.00 0.00 H new ATOM 0 HB2 HIS A 35 26.214 14.146 -0.976 1.00 0.00 H new ATOM 0 HB3 HIS A 35 27.191 13.098 0.033 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.394 10.377 0.066 1.00 0.00 H new ATOM 0 HE1 HIS A 35 23.515 10.768 -3.026 1.00 0.00 H new ATOM 0 HE2 HIS A 35 24.822 9.120 -1.590 1.00 0.00 H new ATOM 546 N ILE A 36 23.998 15.683 0.324 1.00 0.00 N ATOM 547 CA ILE A 36 22.755 16.332 -0.073 1.00 0.00 C ATOM 548 C ILE A 36 22.501 16.166 -1.568 1.00 0.00 C ATOM 549 O ILE A 36 23.436 16.136 -2.367 1.00 0.00 O ATOM 550 CB ILE A 36 22.769 17.834 0.270 1.00 0.00 C ATOM 551 CG1 ILE A 36 21.404 18.459 -0.022 1.00 0.00 C ATOM 552 CG2 ILE A 36 23.862 18.545 -0.513 1.00 0.00 C ATOM 553 CD1 ILE A 36 21.299 19.064 -1.405 1.00 0.00 C ATOM 0 H ILE A 36 24.802 16.308 0.379 1.00 0.00 H new ATOM 0 HA ILE A 36 21.954 15.848 0.485 1.00 0.00 H new ATOM 0 HB ILE A 36 22.979 17.947 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 36 20.633 17.697 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.201 19.231 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 36 23.860 19.605 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 36 24.830 18.114 -0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 36 23.680 18.426 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 36 20.304 19.488 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.047 19.849 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.470 18.291 -2.154 1.00 0.00 H new ATOM 565 N SER A 37 21.229 16.061 -1.938 1.00 0.00 N ATOM 566 CA SER A 37 20.851 15.896 -3.337 1.00 0.00 C ATOM 567 C SER A 37 19.512 16.569 -3.621 1.00 0.00 C ATOM 568 O SER A 37 18.656 16.670 -2.743 1.00 0.00 O ATOM 569 CB SER A 37 20.774 14.410 -3.695 1.00 0.00 C ATOM 570 OG SER A 37 20.614 14.230 -5.091 1.00 0.00 O ATOM 0 H SER A 37 20.443 16.087 -1.289 1.00 0.00 H new ATOM 0 HA SER A 37 21.615 16.372 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.680 13.905 -3.361 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.939 13.948 -3.168 1.00 0.00 H new ATOM 0 HG SER A 37 20.569 13.272 -5.294 1.00 0.00 H new ATOM 576 N GLY A 38 19.338 17.030 -4.857 1.00 0.00 N ATOM 577 CA GLY A 38 18.102 17.688 -5.236 1.00 0.00 C ATOM 578 C GLY A 38 18.341 18.961 -6.024 1.00 0.00 C ATOM 579 O GLY A 38 19.443 19.195 -6.521 1.00 0.00 O ATOM 0 H GLY A 38 20.031 16.959 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.498 17.004 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 38 17.529 17.922 -4.339 1.00 0.00 H new ATOM 583 N LYS A 39 17.306 19.786 -6.140 1.00 0.00 N ATOM 584 CA LYS A 39 17.407 21.043 -6.873 1.00 0.00 C ATOM 585 C LYS A 39 17.808 22.184 -5.944 1.00 0.00 C ATOM 586 O LYS A 39 18.393 23.175 -6.380 1.00 0.00 O ATOM 587 CB LYS A 39 16.075 21.368 -7.553 1.00 0.00 C ATOM 588 CG LYS A 39 15.001 21.843 -6.590 1.00 0.00 C ATOM 589 CD LYS A 39 13.709 22.179 -7.317 1.00 0.00 C ATOM 590 CE LYS A 39 12.919 23.251 -6.583 1.00 0.00 C ATOM 591 NZ LYS A 39 12.245 22.711 -5.370 1.00 0.00 N ATOM 0 H LYS A 39 16.387 19.607 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 39 18.179 20.930 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.240 22.137 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.717 20.480 -8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.810 21.070 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.356 22.722 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.937 22.521 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.101 21.280 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.588 24.062 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.173 23.676 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.703 23.469 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.600 21.942 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.960 22.344 -4.710 1.00 0.00 H new ATOM 605 N MET A 40 17.491 22.036 -4.662 1.00 0.00 N ATOM 606 CA MET A 40 17.822 23.055 -3.671 1.00 0.00 C ATOM 607 C MET A 40 19.312 23.381 -3.703 1.00 0.00 C ATOM 608 O MET A 40 19.731 24.454 -3.269 1.00 0.00 O ATOM 609 CB MET A 40 17.420 22.584 -2.272 1.00 0.00 C ATOM 610 CG MET A 40 16.023 23.021 -1.861 1.00 0.00 C ATOM 611 SD MET A 40 14.735 22.273 -2.877 1.00 0.00 S ATOM 612 CE MET A 40 13.267 22.994 -2.147 1.00 0.00 C ATOM 0 H MET A 40 17.006 21.222 -4.285 1.00 0.00 H new ATOM 0 HA MET A 40 17.266 23.960 -3.916 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.477 21.496 -2.233 1.00 0.00 H new ATOM 0 HB3 MET A 40 18.139 22.967 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 40 15.856 22.757 -0.817 1.00 0.00 H new ATOM 0 HG3 MET A 40 15.951 24.106 -1.930 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.382 22.613 -2.657 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.219 22.730 -1.091 1.00 0.00 H new ATOM 0 HE3 MET A 40 13.305 24.079 -2.248 1.00 0.00 H new ATOM 622 N ARG A 41 20.106 22.448 -4.218 1.00 0.00 N ATOM 623 CA ARG A 41 21.549 22.637 -4.304 1.00 0.00 C ATOM 624 C ARG A 41 21.928 23.351 -5.598 1.00 0.00 C ATOM 625 O ARG A 41 22.967 24.006 -5.676 1.00 0.00 O ATOM 626 CB ARG A 41 22.267 21.288 -4.225 1.00 0.00 C ATOM 627 CG ARG A 41 22.157 20.464 -5.498 1.00 0.00 C ATOM 628 CD ARG A 41 22.393 18.986 -5.227 1.00 0.00 C ATOM 629 NE ARG A 41 22.579 18.227 -6.461 1.00 0.00 N ATOM 630 CZ ARG A 41 23.176 17.041 -6.511 1.00 0.00 C ATOM 631 NH1 ARG A 41 23.642 16.482 -5.403 1.00 0.00 N ATOM 632 NH2 ARG A 41 23.308 16.412 -7.672 1.00 0.00 N ATOM 0 H ARG A 41 19.775 21.554 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 41 21.859 23.257 -3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 41 23.320 21.459 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.855 20.715 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 41 21.169 20.601 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.883 20.822 -6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.272 18.869 -4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 41 21.546 18.579 -4.675 1.00 0.00 H new ATOM 0 HE ARG A 41 22.232 18.629 -7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.543 16.962 -4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.100 15.571 -5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 41 22.951 16.839 -8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 41 23.766 15.502 -7.710 1.00 0.00 H new ATOM 646 N MET A 42 21.078 23.220 -6.611 1.00 0.00 N ATOM 647 CA MET A 42 21.323 23.854 -7.901 1.00 0.00 C ATOM 648 C MET A 42 20.943 25.331 -7.862 1.00 0.00 C ATOM 649 O MET A 42 21.528 26.151 -8.570 1.00 0.00 O ATOM 650 CB MET A 42 20.535 23.141 -9.002 1.00 0.00 C ATOM 651 CG MET A 42 21.164 21.832 -9.449 1.00 0.00 C ATOM 652 SD MET A 42 20.310 21.096 -10.857 1.00 0.00 S ATOM 653 CE MET A 42 21.650 20.974 -12.040 1.00 0.00 C ATOM 0 H MET A 42 20.214 22.681 -6.563 1.00 0.00 H new ATOM 0 HA MET A 42 22.388 23.777 -8.119 1.00 0.00 H new ATOM 0 HB2 MET A 42 19.524 22.945 -8.645 1.00 0.00 H new ATOM 0 HB3 MET A 42 20.447 23.805 -9.862 1.00 0.00 H new ATOM 0 HG2 MET A 42 22.207 22.006 -9.712 1.00 0.00 H new ATOM 0 HG3 MET A 42 21.158 21.128 -8.617 1.00 0.00 H new ATOM 0 HE1 MET A 42 21.279 20.536 -12.966 1.00 0.00 H new ATOM 0 HE2 MET A 42 22.048 21.968 -12.243 1.00 0.00 H new ATOM 0 HE3 MET A 42 22.440 20.344 -11.631 1.00 0.00 H new ATOM 663 N HIS A 43 19.960 25.663 -7.032 1.00 0.00 N ATOM 664 CA HIS A 43 19.503 27.042 -6.901 1.00 0.00 C ATOM 665 C HIS A 43 20.356 27.804 -5.892 1.00 0.00 C ATOM 666 O HIS A 43 20.253 29.025 -5.773 1.00 0.00 O ATOM 667 CB HIS A 43 18.035 27.076 -6.474 1.00 0.00 C ATOM 668 CG HIS A 43 17.103 26.480 -7.484 1.00 0.00 C ATOM 669 ND1 HIS A 43 17.031 26.915 -8.790 1.00 0.00 N ATOM 670 CD2 HIS A 43 16.203 25.475 -7.373 1.00 0.00 C ATOM 671 CE1 HIS A 43 16.126 26.205 -9.439 1.00 0.00 C ATOM 672 NE2 HIS A 43 15.608 25.324 -8.602 1.00 0.00 N ATOM 0 H HIS A 43 19.464 24.996 -6.440 1.00 0.00 H new ATOM 0 HA HIS A 43 19.603 27.526 -7.873 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.927 26.540 -5.531 1.00 0.00 H new ATOM 0 HB3 HIS A 43 17.743 28.110 -6.288 1.00 0.00 H new ATOM 0 HD2 HIS A 43 15.992 24.899 -6.484 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.855 26.324 -10.478 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.884 24.643 -8.831 1.00 0.00 H new ATOM 680 N TYR A 44 21.199 27.076 -5.167 1.00 0.00 N ATOM 681 CA TYR A 44 22.068 27.683 -4.166 1.00 0.00 C ATOM 682 C TYR A 44 21.248 28.331 -3.054 1.00 0.00 C ATOM 683 O TYR A 44 21.238 29.554 -2.908 1.00 0.00 O ATOM 684 CB TYR A 44 22.980 28.724 -4.816 1.00 0.00 C ATOM 685 CG TYR A 44 23.627 28.247 -6.097 1.00 0.00 C ATOM 686 CD1 TYR A 44 24.337 27.054 -6.137 1.00 0.00 C ATOM 687 CD2 TYR A 44 23.528 28.991 -7.267 1.00 0.00 C ATOM 688 CE1 TYR A 44 24.930 26.615 -7.305 1.00 0.00 C ATOM 689 CE2 TYR A 44 24.117 28.559 -8.439 1.00 0.00 C ATOM 690 CZ TYR A 44 24.818 27.370 -8.453 1.00 0.00 C ATOM 691 OH TYR A 44 25.406 26.936 -9.618 1.00 0.00 O ATOM 0 H TYR A 44 21.299 26.065 -5.254 1.00 0.00 H new ATOM 0 HA TYR A 44 22.682 26.896 -3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 44 22.400 29.623 -5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 44 23.760 29.005 -4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 44 24.427 26.459 -5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 44 22.981 29.922 -7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 44 25.479 25.685 -7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 44 24.030 29.148 -9.340 1.00 0.00 H new ATOM 0 HH TYR A 44 25.232 27.583 -10.333 1.00 0.00 H new ATOM 701 N ILE A 45 20.563 27.502 -2.273 1.00 0.00 N ATOM 702 CA ILE A 45 19.742 27.994 -1.174 1.00 0.00 C ATOM 703 C ILE A 45 20.587 28.254 0.069 1.00 0.00 C ATOM 704 O ILE A 45 21.710 27.762 0.183 1.00 0.00 O ATOM 705 CB ILE A 45 18.621 26.998 -0.820 1.00 0.00 C ATOM 706 CG1 ILE A 45 19.215 25.711 -0.245 1.00 0.00 C ATOM 707 CG2 ILE A 45 17.775 26.696 -2.047 1.00 0.00 C ATOM 708 CD1 ILE A 45 19.201 25.661 1.267 1.00 0.00 C ATOM 0 H ILE A 45 20.560 26.488 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 45 19.294 28.930 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 45 17.980 27.449 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 45 18.658 24.858 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 45 20.242 25.607 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 45 16.987 25.991 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.327 27.619 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.404 26.262 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 45 19.637 24.721 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 45 19.782 26.493 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 45 18.174 25.733 1.624 1.00 0.00 H new ATOM 720 N ARG A 46 20.038 29.028 0.999 1.00 0.00 N ATOM 721 CA ARG A 46 20.740 29.353 2.235 1.00 0.00 C ATOM 722 C ARG A 46 20.817 28.137 3.153 1.00 0.00 C ATOM 723 O ARG A 46 19.793 27.583 3.553 1.00 0.00 O ATOM 724 CB ARG A 46 20.040 30.506 2.956 1.00 0.00 C ATOM 725 CG ARG A 46 18.587 30.218 3.298 1.00 0.00 C ATOM 726 CD ARG A 46 17.757 31.492 3.322 1.00 0.00 C ATOM 727 NE ARG A 46 18.203 32.416 4.363 1.00 0.00 N ATOM 728 CZ ARG A 46 17.996 32.217 5.660 1.00 0.00 C ATOM 729 NH1 ARG A 46 17.355 31.133 6.073 1.00 0.00 N ATOM 730 NH2 ARG A 46 18.432 33.103 6.546 1.00 0.00 N ATOM 0 H ARG A 46 19.109 29.442 0.920 1.00 0.00 H new ATOM 0 HA ARG A 46 21.755 29.657 1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 46 20.583 30.732 3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 46 20.087 31.397 2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.171 29.525 2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 46 18.531 29.728 4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.818 31.983 2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 46 16.709 31.239 3.486 1.00 0.00 H new ATOM 0 HE ARG A 46 18.700 33.260 4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.019 30.449 5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.197 30.982 7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.927 33.938 6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.273 32.949 7.542 1.00 0.00 H new ATOM 744 N ILE A 47 22.038 27.726 3.481 1.00 0.00 N ATOM 745 CA ILE A 47 22.248 26.576 4.351 1.00 0.00 C ATOM 746 C ILE A 47 23.039 26.966 5.596 1.00 0.00 C ATOM 747 O ILE A 47 23.957 27.784 5.530 1.00 0.00 O ATOM 748 CB ILE A 47 22.991 25.444 3.618 1.00 0.00 C ATOM 749 CG1 ILE A 47 22.206 25.008 2.379 1.00 0.00 C ATOM 750 CG2 ILE A 47 23.214 24.264 4.553 1.00 0.00 C ATOM 751 CD1 ILE A 47 22.884 23.910 1.590 1.00 0.00 C ATOM 0 H ILE A 47 22.896 28.173 3.157 1.00 0.00 H new ATOM 0 HA ILE A 47 21.261 26.220 4.647 1.00 0.00 H new ATOM 0 HB ILE A 47 23.964 25.816 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.218 24.666 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.057 25.871 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 47 23.740 23.472 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 47 23.810 24.584 5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 47 22.252 23.889 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.272 23.651 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.861 24.255 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.009 23.031 2.223 1.00 0.00 H new ATOM 763 N LEU A 48 22.678 26.373 6.728 1.00 0.00 N ATOM 764 CA LEU A 48 23.355 26.656 7.989 1.00 0.00 C ATOM 765 C LEU A 48 22.967 25.639 9.057 1.00 0.00 C ATOM 766 O LEU A 48 21.939 24.967 8.964 1.00 0.00 O ATOM 767 CB LEU A 48 23.015 28.069 8.467 1.00 0.00 C ATOM 768 CG LEU A 48 21.607 28.567 8.141 1.00 0.00 C ATOM 769 CD1 LEU A 48 20.563 27.717 8.848 1.00 0.00 C ATOM 770 CD2 LEU A 48 21.456 30.031 8.528 1.00 0.00 C ATOM 0 H LEU A 48 21.921 25.693 6.799 1.00 0.00 H new ATOM 0 HA LEU A 48 24.429 26.584 7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.151 28.108 9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.734 28.762 8.030 1.00 0.00 H new ATOM 0 HG LEU A 48 21.451 28.478 7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.567 28.087 8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.656 26.681 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.717 27.773 9.926 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.448 30.368 8.289 1.00 0.00 H new ATOM 0 HD22 LEU A 48 21.632 30.145 9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 48 22.180 30.630 7.975 1.00 0.00 H new ATOM 782 N PRO A 49 23.806 25.521 10.097 1.00 0.00 N ATOM 783 CA PRO A 49 23.569 24.590 11.203 1.00 0.00 C ATOM 784 C PRO A 49 22.392 25.012 12.075 1.00 0.00 C ATOM 785 O PRO A 49 22.327 26.150 12.540 1.00 0.00 O ATOM 786 CB PRO A 49 24.874 24.649 12.002 1.00 0.00 C ATOM 787 CG PRO A 49 25.448 25.988 11.690 1.00 0.00 C ATOM 788 CD PRO A 49 25.049 26.290 10.272 1.00 0.00 C ATOM 0 HA PRO A 49 23.315 23.592 10.847 1.00 0.00 H new ATOM 0 HB2 PRO A 49 24.690 24.536 13.070 1.00 0.00 H new ATOM 0 HB3 PRO A 49 25.554 23.849 11.710 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.064 26.746 12.373 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.533 25.982 11.797 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.887 27.357 10.119 1.00 0.00 H new ATOM 0 HD3 PRO A 49 25.817 25.979 9.564 1.00 0.00 H new ATOM 796 N GLY A 50 21.462 24.088 12.294 1.00 0.00 N ATOM 797 CA GLY A 50 20.299 24.384 13.111 1.00 0.00 C ATOM 798 C GLY A 50 19.031 24.509 12.290 1.00 0.00 C ATOM 799 O GLY A 50 17.995 24.939 12.797 1.00 0.00 O ATOM 0 H GLY A 50 21.493 23.139 11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 50 20.171 23.597 13.854 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.468 25.313 13.656 1.00 0.00 H new ATOM 803 N ASP A 51 19.112 24.133 11.019 1.00 0.00 N ATOM 804 CA ASP A 51 17.961 24.205 10.125 1.00 0.00 C ATOM 805 C ASP A 51 17.303 22.837 9.975 1.00 0.00 C ATOM 806 O ASP A 51 17.983 21.812 9.916 1.00 0.00 O ATOM 807 CB ASP A 51 18.386 24.734 8.754 1.00 0.00 C ATOM 808 CG ASP A 51 17.223 24.833 7.787 1.00 0.00 C ATOM 809 OD1 ASP A 51 16.887 23.809 7.156 1.00 0.00 O ATOM 810 OD2 ASP A 51 16.649 25.935 7.659 1.00 0.00 O ATOM 0 H ASP A 51 19.962 23.775 10.584 1.00 0.00 H new ATOM 0 HA ASP A 51 17.235 24.891 10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.841 25.717 8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.149 24.078 8.335 1.00 0.00 H new ATOM 815 N LYS A 52 15.976 22.827 9.914 1.00 0.00 N ATOM 816 CA LYS A 52 15.225 21.586 9.770 1.00 0.00 C ATOM 817 C LYS A 52 15.213 21.122 8.317 1.00 0.00 C ATOM 818 O LYS A 52 14.796 21.859 7.423 1.00 0.00 O ATOM 819 CB LYS A 52 13.790 21.774 10.268 1.00 0.00 C ATOM 820 CG LYS A 52 13.665 21.757 11.782 1.00 0.00 C ATOM 821 CD LYS A 52 12.306 21.240 12.223 1.00 0.00 C ATOM 822 CE LYS A 52 12.357 19.758 12.564 1.00 0.00 C ATOM 823 NZ LYS A 52 11.122 19.307 13.262 1.00 0.00 N ATOM 0 H LYS A 52 15.398 23.666 9.962 1.00 0.00 H new ATOM 0 HA LYS A 52 15.716 20.822 10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.404 22.721 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.163 20.986 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.449 21.130 12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.817 22.764 12.172 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.966 21.803 13.092 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.577 21.407 11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.489 19.179 11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.224 19.560 13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.196 18.292 13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.009 19.841 14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.297 19.472 12.650 1.00 0.00 H new ATOM 837 N VAL A 53 15.673 19.896 8.088 1.00 0.00 N ATOM 838 CA VAL A 53 15.713 19.333 6.744 1.00 0.00 C ATOM 839 C VAL A 53 15.298 17.866 6.750 1.00 0.00 C ATOM 840 O VAL A 53 15.324 17.206 7.789 1.00 0.00 O ATOM 841 CB VAL A 53 17.118 19.455 6.125 1.00 0.00 C ATOM 842 CG1 VAL A 53 17.599 20.897 6.173 1.00 0.00 C ATOM 843 CG2 VAL A 53 18.096 18.535 6.840 1.00 0.00 C ATOM 0 H VAL A 53 16.023 19.274 8.816 1.00 0.00 H new ATOM 0 HA VAL A 53 15.008 19.905 6.141 1.00 0.00 H new ATOM 0 HB VAL A 53 17.064 19.149 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 53 18.593 20.964 5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.910 21.529 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.639 21.233 7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 53 19.084 18.634 6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.148 18.808 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.757 17.503 6.749 1.00 0.00 H new ATOM 853 N THR A 54 14.914 17.361 5.582 1.00 0.00 N ATOM 854 CA THR A 54 14.492 15.972 5.451 1.00 0.00 C ATOM 855 C THR A 54 15.677 15.064 5.142 1.00 0.00 C ATOM 856 O THR A 54 16.616 15.465 4.454 1.00 0.00 O ATOM 857 CB THR A 54 13.432 15.807 4.346 1.00 0.00 C ATOM 858 OG1 THR A 54 12.967 17.092 3.919 1.00 0.00 O ATOM 859 CG2 THR A 54 12.259 14.976 4.841 1.00 0.00 C ATOM 0 H THR A 54 14.887 17.894 4.713 1.00 0.00 H new ATOM 0 HA THR A 54 14.056 15.684 6.407 1.00 0.00 H new ATOM 0 HB THR A 54 13.893 15.290 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.295 16.979 3.215 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.523 14.873 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.612 13.989 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.799 15.470 5.697 1.00 0.00 H new ATOM 867 N VAL A 55 15.628 13.838 5.655 1.00 0.00 N ATOM 868 CA VAL A 55 16.697 12.873 5.431 1.00 0.00 C ATOM 869 C VAL A 55 16.141 11.461 5.281 1.00 0.00 C ATOM 870 O VAL A 55 15.272 11.042 6.046 1.00 0.00 O ATOM 871 CB VAL A 55 17.719 12.890 6.584 1.00 0.00 C ATOM 872 CG1 VAL A 55 18.564 14.154 6.530 1.00 0.00 C ATOM 873 CG2 VAL A 55 17.011 12.769 7.925 1.00 0.00 C ATOM 0 H VAL A 55 14.859 13.490 6.228 1.00 0.00 H new ATOM 0 HA VAL A 55 17.197 13.164 4.507 1.00 0.00 H new ATOM 0 HB VAL A 55 18.383 12.033 6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.280 14.148 7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.100 14.193 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.918 15.028 6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.748 12.783 8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 55 16.323 13.605 8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.454 11.832 7.959 1.00 0.00 H new ATOM 883 N GLU A 56 16.647 10.734 4.291 1.00 0.00 N ATOM 884 CA GLU A 56 16.199 9.369 4.041 1.00 0.00 C ATOM 885 C GLU A 56 17.203 8.358 4.589 1.00 0.00 C ATOM 886 O GLU A 56 18.400 8.442 4.312 1.00 0.00 O ATOM 887 CB GLU A 56 15.997 9.141 2.541 1.00 0.00 C ATOM 888 CG GLU A 56 14.637 8.563 2.191 1.00 0.00 C ATOM 889 CD GLU A 56 14.284 8.744 0.728 1.00 0.00 C ATOM 890 OE1 GLU A 56 14.968 8.142 -0.127 1.00 0.00 O ATOM 891 OE2 GLU A 56 13.324 9.488 0.437 1.00 0.00 O ATOM 0 H GLU A 56 17.367 11.067 3.649 1.00 0.00 H new ATOM 0 HA GLU A 56 15.248 9.226 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.125 10.088 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.773 8.468 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.624 7.501 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.874 9.040 2.806 1.00 0.00 H new ATOM 898 N LEU A 57 16.706 7.403 5.367 1.00 0.00 N ATOM 899 CA LEU A 57 17.558 6.375 5.955 1.00 0.00 C ATOM 900 C LEU A 57 17.294 5.016 5.314 1.00 0.00 C ATOM 901 O LEU A 57 16.143 4.630 5.104 1.00 0.00 O ATOM 902 CB LEU A 57 17.325 6.294 7.465 1.00 0.00 C ATOM 903 CG LEU A 57 18.297 7.089 8.338 1.00 0.00 C ATOM 904 CD1 LEU A 57 17.822 7.109 9.783 1.00 0.00 C ATOM 905 CD2 LEU A 57 19.699 6.506 8.243 1.00 0.00 C ATOM 0 H LEU A 57 15.718 7.319 5.605 1.00 0.00 H new ATOM 0 HA LEU A 57 18.597 6.648 5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 57 16.313 6.640 7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.373 5.247 7.764 1.00 0.00 H new ATOM 0 HG LEU A 57 18.327 8.116 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 57 18.526 7.679 10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.838 7.574 9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.762 6.088 10.160 1.00 0.00 H new ATOM 0 HD21 LEU A 57 20.377 7.084 8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 57 19.686 5.470 8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 57 20.040 6.545 7.208 1.00 0.00 H new ATOM 917 N THR A 58 18.366 4.293 5.007 1.00 0.00 N ATOM 918 CA THR A 58 18.250 2.977 4.392 1.00 0.00 C ATOM 919 C THR A 58 18.489 1.870 5.412 1.00 0.00 C ATOM 920 O THR A 58 19.093 2.082 6.464 1.00 0.00 O ATOM 921 CB THR A 58 19.247 2.811 3.229 1.00 0.00 C ATOM 922 OG1 THR A 58 20.418 3.599 3.471 1.00 0.00 O ATOM 923 CG2 THR A 58 18.613 3.227 1.910 1.00 0.00 C ATOM 0 H THR A 58 19.325 4.597 5.174 1.00 0.00 H new ATOM 0 HA THR A 58 17.234 2.898 4.005 1.00 0.00 H new ATOM 0 HB THR A 58 19.525 1.759 3.165 1.00 0.00 H new ATOM 0 HG1 THR A 58 21.047 3.487 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.335 3.101 1.103 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.739 2.606 1.714 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.310 4.272 1.966 1.00 0.00 H new ATOM 931 N PRO A 59 18.005 0.660 5.097 1.00 0.00 N ATOM 932 CA PRO A 59 18.156 -0.506 5.974 1.00 0.00 C ATOM 933 C PRO A 59 19.598 -0.993 6.048 1.00 0.00 C ATOM 934 O PRO A 59 19.978 -1.701 6.981 1.00 0.00 O ATOM 935 CB PRO A 59 17.267 -1.563 5.314 1.00 0.00 C ATOM 936 CG PRO A 59 17.210 -1.167 3.879 1.00 0.00 C ATOM 937 CD PRO A 59 17.275 0.335 3.860 1.00 0.00 C ATOM 0 HA PRO A 59 17.880 -0.280 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 59 17.685 -2.562 5.433 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.273 -1.579 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 59 18.040 -1.600 3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.292 -1.524 3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.797 0.704 2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.280 0.780 3.852 1.00 0.00 H new ATOM 945 N TYR A 60 20.399 -0.610 5.059 1.00 0.00 N ATOM 946 CA TYR A 60 21.800 -1.011 5.012 1.00 0.00 C ATOM 947 C TYR A 60 22.530 -0.589 6.283 1.00 0.00 C ATOM 948 O TYR A 60 23.321 -1.351 6.840 1.00 0.00 O ATOM 949 CB TYR A 60 22.486 -0.398 3.790 1.00 0.00 C ATOM 950 CG TYR A 60 22.213 -1.145 2.504 1.00 0.00 C ATOM 951 CD1 TYR A 60 20.988 -1.030 1.858 1.00 0.00 C ATOM 952 CD2 TYR A 60 23.179 -1.967 1.936 1.00 0.00 C ATOM 953 CE1 TYR A 60 20.734 -1.712 0.683 1.00 0.00 C ATOM 954 CE2 TYR A 60 22.933 -2.651 0.761 1.00 0.00 C ATOM 955 CZ TYR A 60 21.710 -2.520 0.139 1.00 0.00 C ATOM 956 OH TYR A 60 21.461 -3.201 -1.031 1.00 0.00 O ATOM 0 H TYR A 60 20.102 -0.023 4.280 1.00 0.00 H new ATOM 0 HA TYR A 60 21.839 -2.098 4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 60 22.155 0.634 3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 60 23.562 -0.371 3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 60 20.222 -0.397 2.281 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.138 -2.073 2.421 1.00 0.00 H new ATOM 0 HE1 TYR A 60 19.776 -1.613 0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 60 23.695 -3.285 0.332 1.00 0.00 H new ATOM 0 HH TYR A 60 22.252 -3.724 -1.280 1.00 0.00 H new ATOM 966 N ASP A 61 22.259 0.629 6.737 1.00 0.00 N ATOM 967 CA ASP A 61 22.887 1.153 7.944 1.00 0.00 C ATOM 968 C ASP A 61 22.091 2.327 8.506 1.00 0.00 C ATOM 969 O ASP A 61 21.396 3.029 7.770 1.00 0.00 O ATOM 970 CB ASP A 61 24.323 1.590 7.649 1.00 0.00 C ATOM 971 CG ASP A 61 25.332 0.495 7.937 1.00 0.00 C ATOM 972 OD1 ASP A 61 25.338 -0.020 9.075 1.00 0.00 O ATOM 973 OD2 ASP A 61 26.116 0.155 7.026 1.00 0.00 O ATOM 0 H ASP A 61 21.608 1.273 6.287 1.00 0.00 H new ATOM 0 HA ASP A 61 22.903 0.358 8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 61 24.402 1.887 6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 61 24.563 2.468 8.249 1.00 0.00 H new ATOM 978 N LEU A 62 22.197 2.535 9.814 1.00 0.00 N ATOM 979 CA LEU A 62 21.485 3.624 10.475 1.00 0.00 C ATOM 980 C LEU A 62 22.411 4.812 10.715 1.00 0.00 C ATOM 981 O LEU A 62 21.955 5.917 11.009 1.00 0.00 O ATOM 982 CB LEU A 62 20.899 3.143 11.804 1.00 0.00 C ATOM 983 CG LEU A 62 19.641 3.867 12.283 1.00 0.00 C ATOM 984 CD1 LEU A 62 18.777 2.938 13.121 1.00 0.00 C ATOM 985 CD2 LEU A 62 20.011 5.113 13.075 1.00 0.00 C ATOM 0 H LEU A 62 22.768 1.965 10.437 1.00 0.00 H new ATOM 0 HA LEU A 62 20.674 3.945 9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 62 20.671 2.081 11.715 1.00 0.00 H new ATOM 0 HB3 LEU A 62 21.665 3.241 12.573 1.00 0.00 H new ATOM 0 HG LEU A 62 19.067 4.174 11.409 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.886 3.471 13.453 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.482 2.076 12.522 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.342 2.600 13.989 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.103 5.616 13.408 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.607 4.829 13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.588 5.788 12.443 1.00 0.00 H new ATOM 997 N SER A 63 23.713 4.578 10.585 1.00 0.00 N ATOM 998 CA SER A 63 24.703 5.629 10.789 1.00 0.00 C ATOM 999 C SER A 63 25.087 6.278 9.463 1.00 0.00 C ATOM 1000 O SER A 63 26.249 6.616 9.238 1.00 0.00 O ATOM 1001 CB SER A 63 25.949 5.059 11.471 1.00 0.00 C ATOM 1002 OG SER A 63 25.597 4.198 12.540 1.00 0.00 O ATOM 0 H SER A 63 24.107 3.670 10.339 1.00 0.00 H new ATOM 0 HA SER A 63 24.262 6.391 11.432 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.548 4.513 10.743 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.568 5.875 11.846 1.00 0.00 H new ATOM 0 HG SER A 63 26.410 3.846 12.958 1.00 0.00 H new ATOM 1008 N ARG A 64 24.101 6.450 8.588 1.00 0.00 N ATOM 1009 CA ARG A 64 24.334 7.057 7.284 1.00 0.00 C ATOM 1010 C ARG A 64 23.027 7.206 6.512 1.00 0.00 C ATOM 1011 O ARG A 64 22.391 6.216 6.151 1.00 0.00 O ATOM 1012 CB ARG A 64 25.324 6.216 6.475 1.00 0.00 C ATOM 1013 CG ARG A 64 24.908 4.761 6.329 1.00 0.00 C ATOM 1014 CD ARG A 64 26.040 3.912 5.770 1.00 0.00 C ATOM 1015 NE ARG A 64 26.674 4.538 4.613 1.00 0.00 N ATOM 1016 CZ ARG A 64 26.093 4.641 3.423 1.00 0.00 C ATOM 1017 NH1 ARG A 64 24.871 4.163 3.234 1.00 0.00 N ATOM 1018 NH2 ARG A 64 26.735 5.225 2.419 1.00 0.00 N ATOM 0 H ARG A 64 23.133 6.177 8.759 1.00 0.00 H new ATOM 0 HA ARG A 64 24.757 8.049 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 64 25.435 6.655 5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 64 26.302 6.259 6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.603 4.369 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.042 4.693 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.786 3.746 6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.653 2.933 5.486 1.00 0.00 H new ATOM 0 HE ARG A 64 27.614 4.917 4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 64 24.374 3.715 4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 64 24.428 4.244 2.319 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.675 5.595 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 64 26.289 5.304 1.505 1.00 0.00 H new ATOM 1032 N ALA A 65 22.631 8.450 6.262 1.00 0.00 N ATOM 1033 CA ALA A 65 21.401 8.729 5.532 1.00 0.00 C ATOM 1034 C ALA A 65 21.615 9.825 4.494 1.00 0.00 C ATOM 1035 O ALA A 65 22.503 10.665 4.638 1.00 0.00 O ATOM 1036 CB ALA A 65 20.292 9.122 6.497 1.00 0.00 C ATOM 0 H ALA A 65 23.145 9.281 6.555 1.00 0.00 H new ATOM 0 HA ALA A 65 21.105 7.821 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.379 9.328 5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.113 8.306 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.589 10.014 7.048 1.00 0.00 H new ATOM 1042 N ARG A 66 20.796 9.810 3.447 1.00 0.00 N ATOM 1043 CA ARG A 66 20.897 10.802 2.384 1.00 0.00 C ATOM 1044 C ARG A 66 20.243 12.116 2.801 1.00 0.00 C ATOM 1045 O ARG A 66 19.095 12.134 3.248 1.00 0.00 O ATOM 1046 CB ARG A 66 20.243 10.278 1.104 1.00 0.00 C ATOM 1047 CG ARG A 66 18.739 10.089 1.223 1.00 0.00 C ATOM 1048 CD ARG A 66 18.171 9.371 0.008 1.00 0.00 C ATOM 1049 NE ARG A 66 18.481 10.070 -1.236 1.00 0.00 N ATOM 1050 CZ ARG A 66 18.218 9.577 -2.441 1.00 0.00 C ATOM 1051 NH1 ARG A 66 17.643 8.389 -2.564 1.00 0.00 N ATOM 1052 NH2 ARG A 66 18.530 10.273 -3.526 1.00 0.00 N ATOM 0 H ARG A 66 20.055 9.122 3.313 1.00 0.00 H new ATOM 0 HA ARG A 66 21.954 10.987 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.450 10.972 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 66 20.700 9.326 0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.513 9.518 2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.256 11.060 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.573 8.359 -0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.090 9.281 0.113 1.00 0.00 H new ATOM 0 HE ARG A 66 18.924 10.987 -1.176 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.401 7.851 -1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.442 8.013 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.972 11.188 -3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.328 9.894 -4.451 1.00 0.00 H new ATOM 1066 N ILE A 67 20.979 13.212 2.653 1.00 0.00 N ATOM 1067 CA ILE A 67 20.470 14.529 3.014 1.00 0.00 C ATOM 1068 C ILE A 67 19.501 15.052 1.959 1.00 0.00 C ATOM 1069 O ILE A 67 19.739 14.912 0.759 1.00 0.00 O ATOM 1070 CB ILE A 67 21.614 15.545 3.194 1.00 0.00 C ATOM 1071 CG1 ILE A 67 22.350 15.289 4.510 1.00 0.00 C ATOM 1072 CG2 ILE A 67 21.071 16.966 3.151 1.00 0.00 C ATOM 1073 CD1 ILE A 67 23.227 14.057 4.482 1.00 0.00 C ATOM 0 H ILE A 67 21.930 13.214 2.285 1.00 0.00 H new ATOM 0 HA ILE A 67 19.944 14.415 3.962 1.00 0.00 H new ATOM 0 HB ILE A 67 22.322 15.423 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 67 22.965 16.157 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 67 21.619 15.186 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 67 21.891 17.673 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 67 20.588 17.142 2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 67 20.345 17.103 3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 67 23.718 13.938 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 67 22.615 13.179 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 67 23.981 14.165 3.703 1.00 0.00 H new ATOM 1085 N VAL A 68 18.409 15.657 2.414 1.00 0.00 N ATOM 1086 CA VAL A 68 17.405 16.204 1.510 1.00 0.00 C ATOM 1087 C VAL A 68 17.147 17.678 1.802 1.00 0.00 C ATOM 1088 O VAL A 68 17.489 18.179 2.873 1.00 0.00 O ATOM 1089 CB VAL A 68 16.076 15.432 1.613 1.00 0.00 C ATOM 1090 CG1 VAL A 68 15.219 15.677 0.380 1.00 0.00 C ATOM 1091 CG2 VAL A 68 16.338 13.946 1.804 1.00 0.00 C ATOM 0 H VAL A 68 18.197 15.781 3.404 1.00 0.00 H new ATOM 0 HA VAL A 68 17.800 16.100 0.499 1.00 0.00 H new ATOM 0 HB VAL A 68 15.530 15.796 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.284 15.124 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.003 16.742 0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.755 15.341 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.389 13.415 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.905 13.564 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.909 13.792 2.720 1.00 0.00 H new ATOM 1101 N PHE A 69 16.541 18.369 0.842 1.00 0.00 N ATOM 1102 CA PHE A 69 16.237 19.787 0.995 1.00 0.00 C ATOM 1103 C PHE A 69 15.529 20.051 2.321 1.00 0.00 C ATOM 1104 O PHE A 69 15.027 19.128 2.963 1.00 0.00 O ATOM 1105 CB PHE A 69 15.368 20.273 -0.166 1.00 0.00 C ATOM 1106 CG PHE A 69 14.270 19.316 -0.534 1.00 0.00 C ATOM 1107 CD1 PHE A 69 13.286 18.984 0.384 1.00 0.00 C ATOM 1108 CD2 PHE A 69 14.221 18.749 -1.797 1.00 0.00 C ATOM 1109 CE1 PHE A 69 12.275 18.103 0.048 1.00 0.00 C ATOM 1110 CE2 PHE A 69 13.212 17.868 -2.139 1.00 0.00 C ATOM 1111 CZ PHE A 69 12.238 17.546 -1.215 1.00 0.00 C ATOM 0 H PHE A 69 16.251 17.970 -0.051 1.00 0.00 H new ATOM 0 HA PHE A 69 17.178 20.337 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.928 21.235 0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 69 16.001 20.440 -1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.309 19.418 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.980 18.998 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.515 17.851 0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 69 13.186 17.433 -3.127 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.448 16.859 -1.480 1.00 0.00 H new ATOM 1121 N ARG A 70 15.493 21.317 2.724 1.00 0.00 N ATOM 1122 CA ARG A 70 14.849 21.703 3.973 1.00 0.00 C ATOM 1123 C ARG A 70 13.430 21.148 4.047 1.00 0.00 C ATOM 1124 O ARG A 70 12.789 20.916 3.022 1.00 0.00 O ATOM 1125 CB ARG A 70 14.819 23.227 4.107 1.00 0.00 C ATOM 1126 CG ARG A 70 14.094 23.924 2.968 1.00 0.00 C ATOM 1127 CD ARG A 70 12.636 24.184 3.311 1.00 0.00 C ATOM 1128 NE ARG A 70 12.494 25.042 4.484 1.00 0.00 N ATOM 1129 CZ ARG A 70 12.613 26.364 4.446 1.00 0.00 C ATOM 1130 NH1 ARG A 70 12.873 26.977 3.300 1.00 0.00 N ATOM 1131 NH2 ARG A 70 12.470 27.076 5.557 1.00 0.00 N ATOM 0 H ARG A 70 15.902 22.093 2.203 1.00 0.00 H new ATOM 0 HA ARG A 70 15.428 21.284 4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.338 23.491 5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 70 15.842 23.599 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.590 24.868 2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 70 14.153 23.311 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.141 24.650 2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.132 23.235 3.493 1.00 0.00 H new ATOM 0 HE ARG A 70 12.292 24.602 5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.982 26.433 2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.964 27.993 3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.269 26.608 6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.562 28.091 5.527 1.00 0.00 H new ATOM 1145 N ALA A 71 12.945 20.936 5.266 1.00 0.00 N ATOM 1146 CA ALA A 71 11.602 20.410 5.474 1.00 0.00 C ATOM 1147 C ALA A 71 10.546 21.478 5.210 1.00 0.00 C ATOM 1148 O ALA A 71 10.641 22.597 5.715 1.00 0.00 O ATOM 1149 CB ALA A 71 11.461 19.864 6.887 1.00 0.00 C ATOM 0 H ALA A 71 13.463 21.121 6.125 1.00 0.00 H new ATOM 0 HA ALA A 71 11.444 19.597 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.453 19.475 7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.184 19.063 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.645 20.663 7.606 1.00 0.00 H new ATOM 1155 N LYS A 72 9.541 21.127 4.415 1.00 0.00 N ATOM 1156 CA LYS A 72 8.467 22.055 4.084 1.00 0.00 C ATOM 1157 C LYS A 72 7.313 21.927 5.073 1.00 0.00 C ATOM 1158 O LYS A 72 6.703 22.923 5.464 1.00 0.00 O ATOM 1159 CB LYS A 72 7.964 21.799 2.661 1.00 0.00 C ATOM 1160 CG LYS A 72 7.173 22.957 2.078 1.00 0.00 C ATOM 1161 CD LYS A 72 6.549 22.589 0.743 1.00 0.00 C ATOM 1162 CE LYS A 72 7.511 22.837 -0.409 1.00 0.00 C ATOM 1163 NZ LYS A 72 8.449 21.696 -0.603 1.00 0.00 N ATOM 0 H LYS A 72 9.448 20.205 3.988 1.00 0.00 H new ATOM 0 HA LYS A 72 8.864 23.068 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.817 21.591 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.339 20.906 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.391 23.253 2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.828 23.818 1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.256 21.539 0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.640 23.172 0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.945 23.002 -1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.080 23.747 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.661 21.589 -1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.330 21.879 -0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.011 20.822 -0.247 1.00 0.00 H new