USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 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 71 ASN :FLIP amide:sc= 0.784 F(o=0.14,f=0.92) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.14 USER MOD Set 2.1: A 11 THR OG1 : rot -20:sc= 0.212 USER MOD Set 2.2: A 28 GLN :FLIP amide:sc= -0.634 F(o=-1,f=-0.42) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 140:sc= -0.926 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 164:sc= -5.07! (180deg=-6.53!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0806 USER MOD Single : A 36 GLN : amide:sc=-0.000267 X(o=-0.00027,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= -1.44 (180deg=-3.37!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 63:sc= 1.08 USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.124) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -80:sc= 1.24 USER MOD Single : A 59 SER OG : rot 38:sc= 0.596 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.42 K(o=-1.4,f=-7.1!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.046) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.247 4.222 -14.098 1.00 0.00 N ATOM 67 CA GLN A 8 0.988 2.974 -14.236 1.00 0.00 C ATOM 68 C GLN A 8 1.004 2.202 -12.921 1.00 0.00 C ATOM 69 O GLN A 8 1.142 2.788 -11.847 1.00 0.00 O ATOM 70 CB GLN A 8 2.420 3.254 -14.694 1.00 0.00 C ATOM 71 CG GLN A 8 3.226 4.076 -13.701 1.00 0.00 C ATOM 72 CD GLN A 8 4.710 4.073 -14.011 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.138 3.577 -15.054 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.505 4.628 -13.103 1.00 0.00 N ATOM 0 HA GLN A 8 0.486 2.365 -14.988 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.929 2.306 -14.866 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.391 3.779 -15.649 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.860 5.103 -13.703 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.068 3.683 -12.697 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.107 5.027 -12.253 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.513 4.655 -13.256 1.00 0.00 H new ATOM 83 N LEU A 9 0.861 0.884 -13.013 1.00 0.00 N ATOM 84 CA LEU A 9 0.859 0.031 -11.830 1.00 0.00 C ATOM 85 C LEU A 9 2.224 0.042 -11.148 1.00 0.00 C ATOM 86 O LEU A 9 3.261 0.061 -11.812 1.00 0.00 O ATOM 87 CB LEU A 9 0.478 -1.401 -12.210 1.00 0.00 C ATOM 88 CG LEU A 9 -1.014 -1.731 -12.170 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.628 -1.272 -10.857 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.733 -1.092 -13.349 1.00 0.00 C ATOM 0 H LEU A 9 0.745 0.383 -13.894 1.00 0.00 H new ATOM 0 HA LEU A 9 0.121 0.424 -11.131 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.847 -1.599 -13.216 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.999 -2.084 -11.540 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.129 -2.813 -12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.690 -1.516 -10.847 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.132 -1.777 -10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.502 -0.194 -10.753 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.794 -1.337 -13.304 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.609 -0.010 -13.308 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.312 -1.470 -14.280 1.00 0.00 H new ATOM 102 N LEU A 10 2.216 0.027 -9.820 1.00 0.00 N ATOM 103 CA LEU A 10 3.453 0.033 -9.047 1.00 0.00 C ATOM 104 C LEU A 10 3.653 -1.298 -8.329 1.00 0.00 C ATOM 105 O LEU A 10 2.831 -1.703 -7.507 1.00 0.00 O ATOM 106 CB LEU A 10 3.438 1.176 -8.031 1.00 0.00 C ATOM 107 CG LEU A 10 2.656 2.425 -8.438 1.00 0.00 C ATOM 108 CD1 LEU A 10 2.651 3.444 -7.309 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.243 3.033 -9.704 1.00 0.00 C ATOM 0 H LEU A 10 1.366 0.011 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 10 4.283 0.181 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.022 0.799 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.468 1.467 -7.826 1.00 0.00 H new ATOM 0 HG LEU A 10 1.626 2.134 -8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.090 4.326 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.184 3.007 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.676 3.730 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.674 3.921 -9.979 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.283 3.309 -9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.193 2.305 -10.514 1.00 0.00 H new ATOM 121 N THR A 11 4.754 -1.975 -8.644 1.00 0.00 N ATOM 122 CA THR A 11 5.063 -3.260 -8.029 1.00 0.00 C ATOM 123 C THR A 11 5.639 -3.075 -6.630 1.00 0.00 C ATOM 124 O THR A 11 6.793 -2.674 -6.470 1.00 0.00 O ATOM 125 CB THR A 11 6.063 -4.064 -8.881 1.00 0.00 C ATOM 126 OG1 THR A 11 5.674 -4.026 -10.259 1.00 0.00 O ATOM 127 CG2 THR A 11 6.136 -5.509 -8.409 1.00 0.00 C ATOM 0 H THR A 11 5.446 -1.654 -9.321 1.00 0.00 H new ATOM 0 HA THR A 11 4.126 -3.813 -7.963 1.00 0.00 H new ATOM 0 HB THR A 11 7.048 -3.611 -8.770 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.726 -3.788 -10.325 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.848 -6.058 -9.025 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.460 -5.536 -7.369 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.152 -5.970 -8.495 1.00 0.00 H new ATOM 135 N LEU A 12 4.830 -3.370 -5.618 1.00 0.00 N ATOM 136 CA LEU A 12 5.260 -3.237 -4.231 1.00 0.00 C ATOM 137 C LEU A 12 5.044 -4.539 -3.467 1.00 0.00 C ATOM 138 O LEU A 12 4.472 -5.493 -3.993 1.00 0.00 O ATOM 139 CB LEU A 12 4.498 -2.099 -3.547 1.00 0.00 C ATOM 140 CG LEU A 12 4.412 -0.786 -4.326 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.290 0.084 -3.781 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.740 -0.045 -4.271 1.00 0.00 C ATOM 0 H LEU A 12 3.873 -3.703 -5.732 1.00 0.00 H new ATOM 0 HA LEU A 12 6.325 -3.007 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.484 -2.441 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.971 -1.898 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 12 4.192 -1.017 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.243 1.014 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.342 -0.445 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.480 0.307 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.660 0.887 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.991 0.175 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.521 -0.666 -4.709 1.00 0.00 H new ATOM 154 N LYS A 13 5.505 -4.571 -2.221 1.00 0.00 N ATOM 155 CA LYS A 13 5.361 -5.755 -1.382 1.00 0.00 C ATOM 156 C LYS A 13 4.558 -5.436 -0.125 1.00 0.00 C ATOM 157 O LYS A 13 4.985 -4.638 0.710 1.00 0.00 O ATOM 158 CB LYS A 13 6.736 -6.302 -0.995 1.00 0.00 C ATOM 159 CG LYS A 13 7.761 -6.217 -2.113 1.00 0.00 C ATOM 160 CD LYS A 13 8.951 -7.125 -1.850 1.00 0.00 C ATOM 161 CE LYS A 13 8.710 -8.528 -2.385 1.00 0.00 C ATOM 162 NZ LYS A 13 9.796 -9.467 -1.988 1.00 0.00 N ATOM 0 H LYS A 13 5.982 -3.790 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 13 4.824 -6.511 -1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.107 -5.751 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.631 -7.343 -0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.293 -6.493 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.104 -5.187 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.841 -6.704 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.145 -7.171 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.755 -8.899 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.638 -8.495 -3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.595 -10.412 -2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.704 -9.127 -2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.848 -9.519 -0.951 1.00 0.00 H new ATOM 176 N ILE A 14 3.394 -6.064 0.004 1.00 0.00 N ATOM 177 CA ILE A 14 2.534 -5.848 1.161 1.00 0.00 C ATOM 178 C ILE A 14 2.895 -6.796 2.299 1.00 0.00 C ATOM 179 O ILE A 14 2.950 -8.012 2.116 1.00 0.00 O ATOM 180 CB ILE A 14 1.048 -6.038 0.801 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.637 -5.054 -0.296 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.177 -5.859 2.035 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.916 -5.556 -1.695 1.00 0.00 C ATOM 0 H ILE A 14 3.025 -6.726 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 14 2.693 -4.819 1.484 1.00 0.00 H new ATOM 0 HB ILE A 14 0.907 -7.051 0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.428 -4.841 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.165 -4.113 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.870 -5.996 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.457 -6.596 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.319 -4.856 2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.599 -4.807 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.984 -5.742 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.366 -6.482 -1.866 1.00 0.00 H new ATOM 195 N LYS A 15 3.139 -6.232 3.477 1.00 0.00 N ATOM 196 CA LYS A 15 3.492 -7.026 4.648 1.00 0.00 C ATOM 197 C LYS A 15 2.910 -6.411 5.917 1.00 0.00 C ATOM 198 O LYS A 15 3.278 -5.302 6.306 1.00 0.00 O ATOM 199 CB LYS A 15 5.013 -7.139 4.774 1.00 0.00 C ATOM 200 CG LYS A 15 5.464 -8.025 5.921 1.00 0.00 C ATOM 201 CD LYS A 15 6.927 -7.794 6.262 1.00 0.00 C ATOM 202 CE LYS A 15 7.239 -8.213 7.691 1.00 0.00 C ATOM 203 NZ LYS A 15 8.639 -7.881 8.073 1.00 0.00 N ATOM 0 H LYS A 15 3.099 -5.227 3.646 1.00 0.00 H new ATOM 0 HA LYS A 15 3.070 -8.023 4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.418 -7.532 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.433 -6.142 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.849 -7.827 6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.312 -9.071 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.556 -8.356 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.171 -6.740 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.549 -7.717 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.078 -9.286 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.812 -8.182 9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.298 -8.374 7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.786 -6.854 7.995 1.00 0.00 H new ATOM 217 N CYS A 16 2.004 -7.139 6.560 1.00 0.00 N ATOM 218 CA CYS A 16 1.372 -6.665 7.786 1.00 0.00 C ATOM 219 C CYS A 16 2.293 -6.868 8.985 1.00 0.00 C ATOM 220 O CYS A 16 2.659 -7.995 9.315 1.00 0.00 O ATOM 221 CB CYS A 16 0.047 -7.393 8.016 1.00 0.00 C ATOM 222 SG CYS A 16 -1.198 -7.080 6.744 1.00 0.00 S ATOM 0 H CYS A 16 1.691 -8.060 6.253 1.00 0.00 H new ATOM 0 HA CYS A 16 1.177 -5.598 7.677 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.238 -8.465 8.066 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.356 -7.095 8.984 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.830 -8.183 6.475 1.00 0.00 H new ATOM 340 N ILE A 24 4.946 -12.424 2.901 1.00 0.00 N ATOM 341 CA ILE A 24 4.919 -11.249 2.038 1.00 0.00 C ATOM 342 C ILE A 24 4.275 -11.570 0.693 1.00 0.00 C ATOM 343 O ILE A 24 4.434 -12.670 0.163 1.00 0.00 O ATOM 344 CB ILE A 24 6.335 -10.694 1.798 1.00 0.00 C ATOM 345 CG1 ILE A 24 7.020 -10.389 3.132 1.00 0.00 C ATOM 346 CG2 ILE A 24 6.274 -9.447 0.930 1.00 0.00 C ATOM 347 CD1 ILE A 24 8.530 -10.417 3.056 1.00 0.00 C ATOM 0 HA ILE A 24 4.325 -10.493 2.552 1.00 0.00 H new ATOM 0 HB ILE A 24 6.922 -11.449 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.700 -9.407 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.688 -11.114 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.282 -9.066 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.822 -9.694 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.674 -8.686 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.948 -10.192 4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.860 -11.406 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.872 -9.673 2.337 1.00 0.00 H new ATOM 359 N LEU A 25 3.550 -10.601 0.146 1.00 0.00 N ATOM 360 CA LEU A 25 2.883 -10.778 -1.140 1.00 0.00 C ATOM 361 C LEU A 25 3.295 -9.686 -2.122 1.00 0.00 C ATOM 362 O LEU A 25 4.157 -8.862 -1.821 1.00 0.00 O ATOM 363 CB LEU A 25 1.365 -10.768 -0.955 1.00 0.00 C ATOM 364 CG LEU A 25 0.849 -11.274 0.393 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.602 -10.868 0.596 1.00 0.00 C ATOM 366 CD2 LEU A 25 1.000 -12.785 0.488 1.00 0.00 C ATOM 0 H LEU A 25 3.409 -9.685 0.572 1.00 0.00 H new ATOM 0 HA LEU A 25 3.186 -11.742 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.008 -9.748 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.919 -11.375 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 25 1.446 -10.818 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.952 -11.237 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.682 -9.781 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.214 -11.294 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.628 -13.128 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.428 -13.259 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.052 -13.052 0.389 1.00 0.00 H new ATOM 378 N GLU A 26 2.670 -9.686 -3.295 1.00 0.00 N ATOM 379 CA GLU A 26 2.971 -8.694 -4.320 1.00 0.00 C ATOM 380 C GLU A 26 1.708 -8.291 -5.076 1.00 0.00 C ATOM 381 O GLU A 26 1.083 -9.113 -5.747 1.00 0.00 O ATOM 382 CB GLU A 26 4.012 -9.240 -5.300 1.00 0.00 C ATOM 383 CG GLU A 26 4.533 -8.199 -6.277 1.00 0.00 C ATOM 384 CD GLU A 26 5.038 -8.813 -7.568 1.00 0.00 C ATOM 385 OE1 GLU A 26 5.868 -9.744 -7.497 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.605 -8.363 -8.649 1.00 0.00 O ATOM 0 H GLU A 26 1.953 -10.361 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 26 3.375 -7.811 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.851 -9.649 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.573 -10.065 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.738 -7.488 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.339 -7.636 -5.807 1.00 0.00 H new ATOM 393 N LYS A 27 1.337 -7.021 -4.961 1.00 0.00 N ATOM 394 CA LYS A 27 0.149 -6.506 -5.632 1.00 0.00 C ATOM 395 C LYS A 27 0.467 -5.222 -6.392 1.00 0.00 C ATOM 396 O LYS A 27 1.144 -4.335 -5.873 1.00 0.00 O ATOM 397 CB LYS A 27 -0.965 -6.247 -4.616 1.00 0.00 C ATOM 398 CG LYS A 27 -2.352 -6.195 -5.233 1.00 0.00 C ATOM 399 CD LYS A 27 -2.903 -7.589 -5.484 1.00 0.00 C ATOM 400 CE LYS A 27 -4.406 -7.559 -5.719 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.999 -8.925 -5.689 1.00 0.00 N ATOM 0 H LYS A 27 1.842 -6.328 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.188 -7.257 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.943 -7.030 -3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.768 -5.304 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.025 -5.650 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.313 -5.644 -6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.407 -8.027 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.680 -8.229 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.880 -6.940 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.614 -7.094 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.024 -8.862 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.565 -9.508 -6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.823 -9.360 -4.761 1.00 0.00 H new ATOM 415 N GLN A 28 -0.028 -5.130 -7.622 1.00 0.00 N ATOM 416 CA GLN A 28 0.204 -3.954 -8.452 1.00 0.00 C ATOM 417 C GLN A 28 -1.010 -3.030 -8.437 1.00 0.00 C ATOM 418 O GLN A 28 -2.114 -3.432 -8.804 1.00 0.00 O ATOM 419 CB GLN A 28 0.523 -4.371 -9.889 1.00 0.00 C ATOM 420 CG GLN A 28 2.009 -4.557 -10.152 1.00 0.00 C ATOM 421 CD GLN A 28 2.390 -4.247 -11.586 1.00 0.00 C ATOM 422 OE1 GLN A 28 3.250 -3.252 -11.768 1.00 0.00 O flip ATOM 423 NE2 GLN A 28 1.918 -4.896 -12.520 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.592 -5.855 -8.065 1.00 0.00 H new ATOM 0 HA GLN A 28 1.056 -3.413 -8.041 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.003 -5.303 -10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.133 -3.617 -10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.577 -3.912 -9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.290 -5.584 -9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.260 -5.653 -12.334 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.185 -4.677 -13.480 1.00 0.00 H new ATOM 432 N LEU A 29 -0.797 -1.790 -8.009 1.00 0.00 N ATOM 433 CA LEU A 29 -1.874 -0.808 -7.945 1.00 0.00 C ATOM 434 C LEU A 29 -1.434 0.522 -8.549 1.00 0.00 C ATOM 435 O LEU A 29 -0.273 0.921 -8.455 1.00 0.00 O ATOM 436 CB LEU A 29 -2.318 -0.602 -6.496 1.00 0.00 C ATOM 437 CG LEU A 29 -2.769 -1.856 -5.747 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.945 -2.508 -6.459 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.616 -2.839 -5.609 1.00 0.00 C ATOM 0 H LEU A 29 0.111 -1.441 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.715 -1.189 -8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.493 -0.151 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.138 0.117 -6.487 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.092 -1.563 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.253 -3.399 -5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.777 -1.805 -6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.649 -2.787 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.956 -3.725 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.263 -3.127 -6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.802 -2.370 -5.055 1.00 0.00 H new ATOM 451 N PRO A 30 -2.383 1.229 -9.181 1.00 0.00 N ATOM 452 CA PRO A 30 -2.118 2.526 -9.809 1.00 0.00 C ATOM 453 C PRO A 30 -1.847 3.622 -8.784 1.00 0.00 C ATOM 454 O PRO A 30 -2.667 3.876 -7.902 1.00 0.00 O ATOM 455 CB PRO A 30 -3.410 2.819 -10.577 1.00 0.00 C ATOM 456 CG PRO A 30 -4.463 2.053 -9.853 1.00 0.00 C ATOM 457 CD PRO A 30 -3.789 0.815 -9.330 1.00 0.00 C ATOM 0 HA PRO A 30 -1.228 2.500 -10.438 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.632 3.886 -10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.333 2.501 -11.617 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.883 2.642 -9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.287 1.797 -10.519 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.217 0.496 -8.380 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.891 -0.021 -10.022 1.00 0.00 H new ATOM 465 N ASP A 31 -0.693 4.268 -8.907 1.00 0.00 N ATOM 466 CA ASP A 31 -0.315 5.339 -7.992 1.00 0.00 C ATOM 467 C ASP A 31 -1.494 6.272 -7.730 1.00 0.00 C ATOM 468 O ASP A 31 -1.560 6.927 -6.690 1.00 0.00 O ATOM 469 CB ASP A 31 0.863 6.132 -8.559 1.00 0.00 C ATOM 470 CG ASP A 31 0.449 7.055 -9.688 1.00 0.00 C ATOM 471 OD1 ASP A 31 0.439 6.603 -10.852 1.00 0.00 O ATOM 472 OD2 ASP A 31 0.135 8.231 -9.407 1.00 0.00 O ATOM 0 H ASP A 31 -0.003 4.069 -9.631 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.016 4.886 -7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.319 6.719 -7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.623 5.439 -8.920 1.00 0.00 H new ATOM 477 N SER A 32 -2.420 6.327 -8.681 1.00 0.00 N ATOM 478 CA SER A 32 -3.594 7.183 -8.556 1.00 0.00 C ATOM 479 C SER A 32 -4.480 6.726 -7.402 1.00 0.00 C ATOM 480 O SER A 32 -4.983 7.542 -6.630 1.00 0.00 O ATOM 481 CB SER A 32 -4.394 7.181 -9.860 1.00 0.00 C ATOM 482 OG SER A 32 -5.543 8.004 -9.755 1.00 0.00 O ATOM 0 H SER A 32 -2.380 5.789 -9.547 1.00 0.00 H new ATOM 0 HA SER A 32 -3.253 8.197 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.764 7.533 -10.677 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.694 6.162 -10.105 1.00 0.00 H new ATOM 0 HG SER A 32 -6.036 7.987 -10.602 1.00 0.00 H new ATOM 488 N MET A 33 -4.666 5.414 -7.291 1.00 0.00 N ATOM 489 CA MET A 33 -5.491 4.847 -6.231 1.00 0.00 C ATOM 490 C MET A 33 -5.244 5.565 -4.908 1.00 0.00 C ATOM 491 O MET A 33 -4.164 5.462 -4.325 1.00 0.00 O ATOM 492 CB MET A 33 -5.202 3.353 -6.075 1.00 0.00 C ATOM 493 CG MET A 33 -6.358 2.569 -5.475 1.00 0.00 C ATOM 494 SD MET A 33 -6.415 0.862 -6.052 1.00 0.00 S ATOM 495 CE MET A 33 -5.522 0.031 -4.742 1.00 0.00 C ATOM 0 H MET A 33 -4.257 4.725 -7.922 1.00 0.00 H new ATOM 0 HA MET A 33 -6.537 4.981 -6.507 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.958 2.935 -7.052 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.322 3.226 -5.445 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.273 2.578 -4.388 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.296 3.064 -5.725 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.710 -1.041 -4.797 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.454 0.218 -4.854 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.857 0.409 -3.776 1.00 0.00 H new ATOM 505 N THR A 34 -6.253 6.293 -4.437 1.00 0.00 N ATOM 506 CA THR A 34 -6.145 7.029 -3.184 1.00 0.00 C ATOM 507 C THR A 34 -5.833 6.093 -2.022 1.00 0.00 C ATOM 508 O THR A 34 -6.382 4.995 -1.931 1.00 0.00 O ATOM 509 CB THR A 34 -7.440 7.801 -2.873 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.572 6.933 -3.005 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.597 8.993 -3.805 1.00 0.00 C ATOM 0 H THR A 34 -7.154 6.388 -4.905 1.00 0.00 H new ATOM 0 HA THR A 34 -5.327 7.740 -3.304 1.00 0.00 H new ATOM 0 HB THR A 34 -7.381 8.167 -1.848 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.392 7.431 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.519 9.523 -3.566 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.749 9.666 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.636 8.645 -4.837 1.00 0.00 H new ATOM 519 N VAL A 35 -4.947 6.534 -1.134 1.00 0.00 N ATOM 520 CA VAL A 35 -4.564 5.736 0.024 1.00 0.00 C ATOM 521 C VAL A 35 -5.775 5.048 0.644 1.00 0.00 C ATOM 522 O VAL A 35 -5.669 3.942 1.171 1.00 0.00 O ATOM 523 CB VAL A 35 -3.874 6.600 1.097 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.664 5.799 2.374 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.551 7.141 0.575 1.00 0.00 C ATOM 0 H VAL A 35 -4.481 7.439 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.863 4.980 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.521 7.446 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.176 6.426 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.628 5.464 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.038 4.933 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.077 7.749 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.896 6.310 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.731 7.752 -0.309 1.00 0.00 H new ATOM 535 N GLN A 36 -6.925 5.711 0.574 1.00 0.00 N ATOM 536 CA GLN A 36 -8.157 5.163 1.129 1.00 0.00 C ATOM 537 C GLN A 36 -8.569 3.894 0.390 1.00 0.00 C ATOM 538 O GLN A 36 -8.912 2.886 1.008 1.00 0.00 O ATOM 539 CB GLN A 36 -9.280 6.199 1.054 1.00 0.00 C ATOM 540 CG GLN A 36 -10.325 6.043 2.147 1.00 0.00 C ATOM 541 CD GLN A 36 -11.425 7.082 2.054 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.636 7.864 2.982 1.00 0.00 O ATOM 543 NE2 GLN A 36 -12.134 7.096 0.932 1.00 0.00 N ATOM 0 H GLN A 36 -7.029 6.628 0.139 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.975 4.910 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.847 7.197 1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.768 6.124 0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.764 5.047 2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.841 6.118 3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.925 6.430 0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.888 7.773 0.813 1.00 0.00 H new ATOM 552 N LYS A 37 -8.533 3.951 -0.937 1.00 0.00 N ATOM 553 CA LYS A 37 -8.902 2.806 -1.762 1.00 0.00 C ATOM 554 C LYS A 37 -8.085 1.576 -1.383 1.00 0.00 C ATOM 555 O LYS A 37 -8.638 0.511 -1.106 1.00 0.00 O ATOM 556 CB LYS A 37 -8.695 3.131 -3.244 1.00 0.00 C ATOM 557 CG LYS A 37 -9.678 4.156 -3.784 1.00 0.00 C ATOM 558 CD LYS A 37 -10.943 3.495 -4.304 1.00 0.00 C ATOM 559 CE LYS A 37 -10.732 2.899 -5.688 1.00 0.00 C ATOM 560 NZ LYS A 37 -10.094 1.555 -5.621 1.00 0.00 N ATOM 0 H LYS A 37 -8.252 4.778 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.956 2.589 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.680 3.502 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.784 2.213 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.934 4.866 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.208 4.725 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.256 2.712 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.749 4.228 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.691 2.821 -6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.108 3.568 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.459 0.959 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.063 1.655 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.314 1.112 -4.706 1.00 0.00 H new ATOM 574 N VAL A 38 -6.764 1.729 -1.369 1.00 0.00 N ATOM 575 CA VAL A 38 -5.871 0.631 -1.021 1.00 0.00 C ATOM 576 C VAL A 38 -6.240 0.030 0.331 1.00 0.00 C ATOM 577 O VAL A 38 -6.220 -1.188 0.508 1.00 0.00 O ATOM 578 CB VAL A 38 -4.402 1.093 -0.981 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.490 -0.059 -0.588 1.00 0.00 C ATOM 580 CG2 VAL A 38 -3.991 1.675 -2.325 1.00 0.00 C ATOM 0 H VAL A 38 -6.289 2.603 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.985 -0.127 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.305 1.874 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.456 0.287 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.772 -0.426 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.587 -0.865 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.950 1.996 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.103 0.916 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.625 2.530 -2.560 1.00 0.00 H new ATOM 590 N LYS A 39 -6.576 0.893 1.284 1.00 0.00 N ATOM 591 CA LYS A 39 -6.952 0.450 2.621 1.00 0.00 C ATOM 592 C LYS A 39 -8.254 -0.344 2.585 1.00 0.00 C ATOM 593 O LYS A 39 -8.376 -1.384 3.230 1.00 0.00 O ATOM 594 CB LYS A 39 -7.101 1.652 3.556 1.00 0.00 C ATOM 595 CG LYS A 39 -5.778 2.182 4.080 1.00 0.00 C ATOM 596 CD LYS A 39 -5.917 3.599 4.611 1.00 0.00 C ATOM 597 CE LYS A 39 -4.582 4.147 5.093 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.742 5.435 5.823 1.00 0.00 N ATOM 0 H LYS A 39 -6.595 1.905 1.155 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.161 -0.199 2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.619 2.452 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.730 1.369 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.412 1.530 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.035 2.162 3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.315 4.245 3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.635 3.613 5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.104 3.417 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.920 4.293 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.810 5.775 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.175 6.140 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.353 5.291 6.652 1.00 0.00 H new ATOM 612 N GLY A 40 -9.225 0.153 1.824 1.00 0.00 N ATOM 613 CA GLY A 40 -10.504 -0.524 1.717 1.00 0.00 C ATOM 614 C GLY A 40 -10.376 -1.917 1.133 1.00 0.00 C ATOM 615 O GLY A 40 -11.159 -2.809 1.459 1.00 0.00 O ATOM 0 H GLY A 40 -9.148 1.012 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.961 -0.588 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.174 0.068 1.093 1.00 0.00 H new ATOM 619 N LEU A 41 -9.388 -2.104 0.265 1.00 0.00 N ATOM 620 CA LEU A 41 -9.160 -3.398 -0.368 1.00 0.00 C ATOM 621 C LEU A 41 -8.779 -4.451 0.667 1.00 0.00 C ATOM 622 O LEU A 41 -9.134 -5.624 0.536 1.00 0.00 O ATOM 623 CB LEU A 41 -8.061 -3.285 -1.426 1.00 0.00 C ATOM 624 CG LEU A 41 -7.492 -4.605 -1.947 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.297 -5.100 -3.138 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.026 -4.443 -2.322 1.00 0.00 C ATOM 0 H LEU A 41 -8.732 -1.376 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.088 -3.707 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.456 -2.724 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.242 -2.699 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.563 -5.348 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.877 -6.040 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.333 -5.256 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.259 -4.359 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.638 -5.392 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.931 -3.685 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.458 -4.135 -1.444 1.00 0.00 H new ATOM 638 N LEU A 42 -8.055 -4.026 1.697 1.00 0.00 N ATOM 639 CA LEU A 42 -7.626 -4.932 2.757 1.00 0.00 C ATOM 640 C LEU A 42 -8.616 -4.918 3.918 1.00 0.00 C ATOM 641 O LEU A 42 -8.739 -5.897 4.654 1.00 0.00 O ATOM 642 CB LEU A 42 -6.233 -4.544 3.254 1.00 0.00 C ATOM 643 CG LEU A 42 -5.099 -4.666 2.236 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.824 -4.038 2.778 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.864 -6.125 1.872 1.00 0.00 C ATOM 0 H LEU A 42 -7.753 -3.060 1.821 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.590 -5.941 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.269 -3.513 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.990 -5.167 4.115 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.388 -4.129 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.028 -4.135 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.999 -2.983 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.530 -4.546 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.053 -6.193 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.597 -6.685 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.773 -6.543 1.440 1.00 0.00 H new ATOM 657 N SER A 43 -9.320 -3.801 4.075 1.00 0.00 N ATOM 658 CA SER A 43 -10.297 -3.659 5.148 1.00 0.00 C ATOM 659 C SER A 43 -11.267 -4.837 5.160 1.00 0.00 C ATOM 660 O SER A 43 -11.658 -5.322 6.221 1.00 0.00 O ATOM 661 CB SER A 43 -11.071 -2.349 4.990 1.00 0.00 C ATOM 662 OG SER A 43 -12.307 -2.399 5.683 1.00 0.00 O ATOM 0 H SER A 43 -9.232 -2.982 3.473 1.00 0.00 H new ATOM 0 HA SER A 43 -9.759 -3.644 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.472 -1.521 5.369 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.251 -2.155 3.933 1.00 0.00 H new ATOM 0 HG SER A 43 -12.140 -2.507 6.643 1.00 0.00 H new ATOM 668 N ARG A 44 -11.649 -5.292 3.971 1.00 0.00 N ATOM 669 CA ARG A 44 -12.574 -6.412 3.843 1.00 0.00 C ATOM 670 C ARG A 44 -11.829 -7.742 3.912 1.00 0.00 C ATOM 671 O ARG A 44 -12.443 -8.807 3.988 1.00 0.00 O ATOM 672 CB ARG A 44 -13.346 -6.316 2.527 1.00 0.00 C ATOM 673 CG ARG A 44 -14.322 -5.151 2.477 1.00 0.00 C ATOM 674 CD ARG A 44 -15.583 -5.446 3.273 1.00 0.00 C ATOM 675 NE ARG A 44 -16.729 -4.682 2.787 1.00 0.00 N ATOM 676 CZ ARG A 44 -17.331 -4.919 1.627 1.00 0.00 C ATOM 677 NH1 ARG A 44 -16.899 -5.893 0.839 1.00 0.00 N ATOM 678 NH2 ARG A 44 -18.368 -4.180 1.253 1.00 0.00 N ATOM 0 H ARG A 44 -11.332 -4.903 3.083 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.279 -6.366 4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.636 -6.220 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.894 -7.245 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.842 -4.256 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.586 -4.940 1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.807 -6.511 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.411 -5.213 4.324 1.00 0.00 H new ATOM 0 HE ARG A 44 -17.086 -3.925 3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.102 -6.463 1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.363 -6.073 -0.051 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.703 -3.429 1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.830 -4.363 0.362 1.00 0.00 H new ATOM 692 N LEU A 45 -10.502 -7.674 3.885 1.00 0.00 N ATOM 693 CA LEU A 45 -9.673 -8.872 3.944 1.00 0.00 C ATOM 694 C LEU A 45 -9.323 -9.222 5.387 1.00 0.00 C ATOM 695 O LEU A 45 -9.558 -10.342 5.840 1.00 0.00 O ATOM 696 CB LEU A 45 -8.393 -8.671 3.131 1.00 0.00 C ATOM 697 CG LEU A 45 -8.554 -8.687 1.611 1.00 0.00 C ATOM 698 CD1 LEU A 45 -7.292 -8.174 0.935 1.00 0.00 C ATOM 699 CD2 LEU A 45 -8.889 -10.089 1.125 1.00 0.00 C ATOM 0 H LEU A 45 -9.978 -6.801 3.823 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.241 -9.698 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.949 -7.718 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.683 -9.450 3.409 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.378 -8.025 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.425 -8.193 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.096 -7.152 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.449 -8.809 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.000 -10.081 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.086 -10.772 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.821 -10.420 1.583 1.00 0.00 H new ATOM 711 N LEU A 46 -8.761 -8.255 6.105 1.00 0.00 N ATOM 712 CA LEU A 46 -8.380 -8.459 7.498 1.00 0.00 C ATOM 713 C LEU A 46 -9.512 -8.053 8.437 1.00 0.00 C ATOM 714 O LEU A 46 -9.343 -8.031 9.656 1.00 0.00 O ATOM 715 CB LEU A 46 -7.119 -7.658 7.825 1.00 0.00 C ATOM 716 CG LEU A 46 -5.832 -8.125 7.144 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.806 -7.003 7.113 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.266 -9.347 7.852 1.00 0.00 C ATOM 0 H LEU A 46 -8.559 -7.322 5.745 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.176 -9.520 7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.293 -6.617 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.966 -7.684 8.904 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.069 -8.402 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.897 -7.354 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.210 -6.155 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.574 -6.694 8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.350 -9.665 7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.046 -9.097 8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.996 -10.156 7.821 1.00 0.00 H new ATOM 730 N LYS A 47 -10.666 -7.735 7.861 1.00 0.00 N ATOM 731 CA LYS A 47 -11.828 -7.334 8.645 1.00 0.00 C ATOM 732 C LYS A 47 -11.502 -6.129 9.522 1.00 0.00 C ATOM 733 O LYS A 47 -11.940 -6.048 10.670 1.00 0.00 O ATOM 734 CB LYS A 47 -12.308 -8.497 9.516 1.00 0.00 C ATOM 735 CG LYS A 47 -12.388 -9.820 8.774 1.00 0.00 C ATOM 736 CD LYS A 47 -13.096 -9.668 7.438 1.00 0.00 C ATOM 737 CE LYS A 47 -13.764 -10.966 7.011 1.00 0.00 C ATOM 738 NZ LYS A 47 -14.981 -11.256 7.820 1.00 0.00 N ATOM 0 H LYS A 47 -10.822 -7.747 6.853 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.623 -7.054 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.633 -8.606 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.292 -8.256 9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.383 -10.209 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.917 -10.550 9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.844 -8.879 7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.378 -9.359 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.035 -10.906 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.056 -11.789 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.561 -11.968 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.699 -11.619 8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.534 -10.383 7.941 1.00 0.00 H new ATOM 752 N VAL A 48 -10.732 -5.194 8.974 1.00 0.00 N ATOM 753 CA VAL A 48 -10.350 -3.992 9.705 1.00 0.00 C ATOM 754 C VAL A 48 -10.834 -2.736 8.990 1.00 0.00 C ATOM 755 O VAL A 48 -10.731 -2.608 7.770 1.00 0.00 O ATOM 756 CB VAL A 48 -8.823 -3.909 9.890 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.460 -2.767 10.826 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.277 -5.230 10.409 1.00 0.00 C ATOM 0 H VAL A 48 -10.360 -5.246 8.026 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.824 -4.054 10.685 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.367 -3.710 8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.377 -2.724 10.945 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.817 -1.826 10.407 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.925 -2.931 11.798 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.197 -5.153 10.534 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.738 -5.462 11.369 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.505 -6.023 9.696 1.00 0.00 H new ATOM 768 N PRO A 49 -11.375 -1.785 9.765 1.00 0.00 N ATOM 769 CA PRO A 49 -11.886 -0.520 9.227 1.00 0.00 C ATOM 770 C PRO A 49 -10.769 0.388 8.723 1.00 0.00 C ATOM 771 O PRO A 49 -9.767 0.594 9.408 1.00 0.00 O ATOM 772 CB PRO A 49 -12.592 0.116 10.427 1.00 0.00 C ATOM 773 CG PRO A 49 -11.919 -0.471 11.618 1.00 0.00 C ATOM 774 CD PRO A 49 -11.530 -1.870 11.227 1.00 0.00 C ATOM 0 HA PRO A 49 -12.536 -0.676 8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.496 1.202 10.413 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.658 -0.109 10.424 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.043 0.114 11.899 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.587 -0.478 12.479 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.604 -2.180 11.712 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.295 -2.593 11.509 1.00 0.00 H new ATOM 782 N VAL A 50 -10.949 0.928 7.522 1.00 0.00 N ATOM 783 CA VAL A 50 -9.957 1.816 6.928 1.00 0.00 C ATOM 784 C VAL A 50 -9.521 2.893 7.915 1.00 0.00 C ATOM 785 O VAL A 50 -8.439 3.466 7.786 1.00 0.00 O ATOM 786 CB VAL A 50 -10.500 2.492 5.655 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.596 3.640 5.232 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.644 1.475 4.532 1.00 0.00 C ATOM 0 H VAL A 50 -11.772 0.766 6.942 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.098 1.199 6.665 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.487 2.900 5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.996 4.105 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.548 4.379 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.595 3.259 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.029 1.970 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.671 1.036 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.335 0.690 4.838 1.00 0.00 H new ATOM 798 N SER A 51 -10.370 3.162 8.901 1.00 0.00 N ATOM 799 CA SER A 51 -10.074 4.173 9.910 1.00 0.00 C ATOM 800 C SER A 51 -8.941 3.714 10.823 1.00 0.00 C ATOM 801 O SER A 51 -8.047 4.490 11.158 1.00 0.00 O ATOM 802 CB SER A 51 -11.322 4.477 10.740 1.00 0.00 C ATOM 803 OG SER A 51 -11.647 3.389 11.589 1.00 0.00 O ATOM 0 H SER A 51 -11.268 2.694 9.023 1.00 0.00 H new ATOM 0 HA SER A 51 -9.758 5.081 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.155 5.372 11.339 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.161 4.688 10.077 1.00 0.00 H new ATOM 0 HG SER A 51 -12.447 3.609 12.110 1.00 0.00 H new ATOM 809 N GLU A 52 -8.987 2.447 11.222 1.00 0.00 N ATOM 810 CA GLU A 52 -7.966 1.884 12.097 1.00 0.00 C ATOM 811 C GLU A 52 -6.744 1.445 11.295 1.00 0.00 C ATOM 812 O GLU A 52 -5.645 1.317 11.836 1.00 0.00 O ATOM 813 CB GLU A 52 -8.530 0.696 12.879 1.00 0.00 C ATOM 814 CG GLU A 52 -9.524 1.094 13.957 1.00 0.00 C ATOM 815 CD GLU A 52 -9.648 0.050 15.050 1.00 0.00 C ATOM 816 OE1 GLU A 52 -9.649 -1.155 14.721 1.00 0.00 O ATOM 817 OE2 GLU A 52 -9.745 0.437 16.233 1.00 0.00 O ATOM 0 H GLU A 52 -9.720 1.791 10.953 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.659 2.659 12.800 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.016 0.012 12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.706 0.151 13.340 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.216 2.042 14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.501 1.257 13.503 1.00 0.00 H new ATOM 824 N LEU A 53 -6.944 1.214 10.002 1.00 0.00 N ATOM 825 CA LEU A 53 -5.860 0.789 9.124 1.00 0.00 C ATOM 826 C LEU A 53 -4.842 1.909 8.933 1.00 0.00 C ATOM 827 O LEU A 53 -5.202 3.040 8.604 1.00 0.00 O ATOM 828 CB LEU A 53 -6.417 0.354 7.767 1.00 0.00 C ATOM 829 CG LEU A 53 -6.857 -1.107 7.659 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.657 -1.330 6.386 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.650 -2.032 7.702 1.00 0.00 C ATOM 0 H LEU A 53 -7.847 1.314 9.539 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.358 -0.057 9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.270 0.988 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.657 0.541 7.008 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.497 -1.338 8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.962 -2.375 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.542 -0.694 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.042 -1.081 5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.982 -3.067 7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.985 -1.801 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.117 -1.892 8.643 1.00 0.00 H new ATOM 843 N LEU A 54 -3.570 1.586 9.139 1.00 0.00 N ATOM 844 CA LEU A 54 -2.498 2.565 8.988 1.00 0.00 C ATOM 845 C LEU A 54 -1.452 2.077 7.991 1.00 0.00 C ATOM 846 O LEU A 54 -0.620 1.228 8.314 1.00 0.00 O ATOM 847 CB LEU A 54 -1.840 2.843 10.340 1.00 0.00 C ATOM 848 CG LEU A 54 -2.768 3.343 11.448 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.053 3.327 12.790 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.276 4.741 11.128 1.00 0.00 C ATOM 0 H LEU A 54 -3.255 0.655 9.411 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.934 3.488 8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.359 1.927 10.683 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.052 3.581 10.193 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.625 2.672 11.508 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.729 3.686 13.566 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.740 2.309 13.023 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.177 3.974 12.743 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.935 5.081 11.927 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.431 5.424 11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.827 4.722 10.188 1.00 0.00 H new ATOM 862 N LEU A 55 -1.499 2.619 6.779 1.00 0.00 N ATOM 863 CA LEU A 55 -0.553 2.240 5.735 1.00 0.00 C ATOM 864 C LEU A 55 0.693 3.118 5.784 1.00 0.00 C ATOM 865 O LEU A 55 0.600 4.346 5.804 1.00 0.00 O ATOM 866 CB LEU A 55 -1.213 2.349 4.359 1.00 0.00 C ATOM 867 CG LEU A 55 -1.828 1.063 3.806 1.00 0.00 C ATOM 868 CD1 LEU A 55 -2.740 0.420 4.840 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.592 1.346 2.521 1.00 0.00 C ATOM 0 H LEU A 55 -2.182 3.322 6.495 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.253 1.206 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.994 3.108 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.468 2.707 3.648 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.021 0.366 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.169 -0.494 4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.164 0.181 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.541 1.112 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.023 0.419 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.390 2.061 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.912 1.761 1.777 1.00 0.00 H new ATOM 881 N SER A 56 1.859 2.481 5.803 1.00 0.00 N ATOM 882 CA SER A 56 3.125 3.204 5.851 1.00 0.00 C ATOM 883 C SER A 56 4.144 2.579 4.904 1.00 0.00 C ATOM 884 O SER A 56 4.448 1.389 4.997 1.00 0.00 O ATOM 885 CB SER A 56 3.677 3.213 7.278 1.00 0.00 C ATOM 886 OG SER A 56 3.345 2.016 7.961 1.00 0.00 O ATOM 0 H SER A 56 1.954 1.466 5.786 1.00 0.00 H new ATOM 0 HA SER A 56 2.941 4.230 5.533 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.760 3.332 7.252 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.276 4.069 7.821 1.00 0.00 H new ATOM 0 HG SER A 56 3.711 2.046 8.870 1.00 0.00 H new ATOM 892 N TYR A 57 4.670 3.390 3.992 1.00 0.00 N ATOM 893 CA TYR A 57 5.653 2.917 3.025 1.00 0.00 C ATOM 894 C TYR A 57 7.069 3.273 3.469 1.00 0.00 C ATOM 895 O TYR A 57 7.300 4.333 4.051 1.00 0.00 O ATOM 896 CB TYR A 57 5.373 3.518 1.646 1.00 0.00 C ATOM 897 CG TYR A 57 6.079 4.833 1.404 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.725 5.975 2.113 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.098 4.935 0.466 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.366 7.179 1.895 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.746 6.134 0.242 1.00 0.00 C ATOM 902 CZ TYR A 57 7.377 7.253 0.959 1.00 0.00 C ATOM 903 OH TYR A 57 8.018 8.450 0.738 1.00 0.00 O ATOM 0 H TYR A 57 4.432 4.378 3.903 1.00 0.00 H new ATOM 0 HA TYR A 57 5.572 1.832 2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.678 2.805 0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.299 3.666 1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.935 5.920 2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.389 4.061 -0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.078 8.057 2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.537 6.195 -0.491 1.00 0.00 H new ATOM 0 HH TYR A 57 7.470 9.011 0.151 1.00 0.00 H new ATOM 913 N GLU A 58 8.012 2.380 3.189 1.00 0.00 N ATOM 914 CA GLU A 58 9.405 2.599 3.560 1.00 0.00 C ATOM 915 C GLU A 58 10.219 3.075 2.360 1.00 0.00 C ATOM 916 O GLU A 58 10.396 2.343 1.386 1.00 0.00 O ATOM 917 CB GLU A 58 10.014 1.314 4.126 1.00 0.00 C ATOM 918 CG GLU A 58 11.348 1.527 4.820 1.00 0.00 C ATOM 919 CD GLU A 58 12.200 0.273 4.845 1.00 0.00 C ATOM 920 OE1 GLU A 58 11.685 -0.787 5.258 1.00 0.00 O ATOM 921 OE2 GLU A 58 13.382 0.352 4.450 1.00 0.00 O ATOM 0 H GLU A 58 7.837 1.498 2.707 1.00 0.00 H new ATOM 0 HA GLU A 58 9.433 3.373 4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.313 0.871 4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.146 0.597 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.894 2.323 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.172 1.862 5.842 1.00 0.00 H new ATOM 928 N SER A 59 10.712 4.307 2.438 1.00 0.00 N ATOM 929 CA SER A 59 11.503 4.883 1.357 1.00 0.00 C ATOM 930 C SER A 59 12.836 4.155 1.212 1.00 0.00 C ATOM 931 O SER A 59 13.700 4.239 2.085 1.00 0.00 O ATOM 932 CB SER A 59 11.747 6.372 1.613 1.00 0.00 C ATOM 933 OG SER A 59 12.424 6.574 2.842 1.00 0.00 O ATOM 0 H SER A 59 10.578 4.925 3.238 1.00 0.00 H new ATOM 0 HA SER A 59 10.943 4.768 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.335 6.793 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.795 6.903 1.627 1.00 0.00 H new ATOM 0 HG SER A 59 13.093 5.868 2.967 1.00 0.00 H new ATOM 939 N SER A 60 12.996 3.441 0.103 1.00 0.00 N ATOM 940 CA SER A 60 14.221 2.695 -0.157 1.00 0.00 C ATOM 941 C SER A 60 15.450 3.550 0.137 1.00 0.00 C ATOM 942 O SER A 60 16.290 3.189 0.962 1.00 0.00 O ATOM 943 CB SER A 60 14.254 2.216 -1.609 1.00 0.00 C ATOM 944 OG SER A 60 15.304 1.286 -1.816 1.00 0.00 O ATOM 0 H SER A 60 12.292 3.363 -0.631 1.00 0.00 H new ATOM 0 HA SER A 60 14.236 1.828 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.300 1.755 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.384 3.070 -2.274 1.00 0.00 H new ATOM 0 HG SER A 60 15.303 0.994 -2.751 1.00 0.00 H new ATOM 950 N LYS A 61 15.549 4.686 -0.544 1.00 0.00 N ATOM 951 CA LYS A 61 16.674 5.595 -0.358 1.00 0.00 C ATOM 952 C LYS A 61 17.033 5.721 1.119 1.00 0.00 C ATOM 953 O LYS A 61 18.208 5.725 1.484 1.00 0.00 O ATOM 954 CB LYS A 61 16.342 6.974 -0.932 1.00 0.00 C ATOM 955 CG LYS A 61 15.983 6.949 -2.408 1.00 0.00 C ATOM 956 CD LYS A 61 15.285 8.229 -2.835 1.00 0.00 C ATOM 957 CE LYS A 61 16.246 9.408 -2.853 1.00 0.00 C ATOM 958 NZ LYS A 61 15.550 10.685 -3.174 1.00 0.00 N ATOM 0 H LYS A 61 14.863 5.000 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 61 17.533 5.184 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.510 7.401 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 61 17.197 7.634 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 61 16.887 6.812 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.336 6.096 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.852 8.096 -3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.461 8.440 -2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.734 9.494 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 61 17.030 9.227 -3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.238 11.464 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.106 10.612 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.819 10.871 -2.458 1.00 0.00 H new ATOM 972 N MET A 62 16.012 5.822 1.965 1.00 0.00 N ATOM 973 CA MET A 62 16.222 5.944 3.403 1.00 0.00 C ATOM 974 C MET A 62 15.631 4.748 4.142 1.00 0.00 C ATOM 975 O MET A 62 14.502 4.785 4.631 1.00 0.00 O ATOM 976 CB MET A 62 15.594 7.240 3.922 1.00 0.00 C ATOM 977 CG MET A 62 16.314 7.823 5.128 1.00 0.00 C ATOM 978 SD MET A 62 17.960 8.437 4.723 1.00 0.00 S ATOM 979 CE MET A 62 17.676 10.205 4.740 1.00 0.00 C ATOM 0 H MET A 62 15.033 5.822 1.680 1.00 0.00 H new ATOM 0 HA MET A 62 17.296 5.968 3.588 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.589 7.978 3.120 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.554 7.050 4.187 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.719 8.636 5.544 1.00 0.00 H new ATOM 0 HG3 MET A 62 16.395 7.060 5.902 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.605 10.725 4.507 1.00 0.00 H new ATOM 0 HE2 MET A 62 16.921 10.459 3.996 1.00 0.00 H new ATOM 0 HE3 MET A 62 17.329 10.508 5.728 1.00 0.00 H new ATOM 989 N PRO A 63 16.412 3.660 4.227 1.00 0.00 N ATOM 990 CA PRO A 63 15.987 2.432 4.906 1.00 0.00 C ATOM 991 C PRO A 63 15.898 2.606 6.418 1.00 0.00 C ATOM 992 O PRO A 63 16.489 3.526 6.982 1.00 0.00 O ATOM 993 CB PRO A 63 17.087 1.430 4.547 1.00 0.00 C ATOM 994 CG PRO A 63 18.287 2.268 4.268 1.00 0.00 C ATOM 995 CD PRO A 63 17.769 3.545 3.668 1.00 0.00 C ATOM 0 HA PRO A 63 14.989 2.120 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.272 0.735 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.810 0.833 3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.847 2.465 5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.966 1.762 3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.390 4.398 3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.752 3.499 2.579 1.00 0.00 H new ATOM 1003 N GLY A 64 15.154 1.716 7.069 1.00 0.00 N ATOM 1004 CA GLY A 64 15.002 1.790 8.510 1.00 0.00 C ATOM 1005 C GLY A 64 14.131 2.953 8.943 1.00 0.00 C ATOM 1006 O GLY A 64 14.186 3.383 10.095 1.00 0.00 O ATOM 0 H GLY A 64 14.655 0.946 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.567 0.859 8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.985 1.885 8.971 1.00 0.00 H new ATOM 1010 N ARG A 65 13.327 3.464 8.017 1.00 0.00 N ATOM 1011 CA ARG A 65 12.443 4.586 8.308 1.00 0.00 C ATOM 1012 C ARG A 65 11.162 4.497 7.483 1.00 0.00 C ATOM 1013 O ARG A 65 11.204 4.486 6.254 1.00 0.00 O ATOM 1014 CB ARG A 65 13.154 5.910 8.023 1.00 0.00 C ATOM 1015 CG ARG A 65 12.511 7.106 8.707 1.00 0.00 C ATOM 1016 CD ARG A 65 13.192 8.407 8.311 1.00 0.00 C ATOM 1017 NE ARG A 65 12.581 9.564 8.959 1.00 0.00 N ATOM 1018 CZ ARG A 65 12.924 10.820 8.696 1.00 0.00 C ATOM 1019 NH1 ARG A 65 13.868 11.079 7.802 1.00 0.00 N ATOM 1020 NH2 ARG A 65 12.321 11.820 9.327 1.00 0.00 N ATOM 0 H ARG A 65 13.269 3.119 7.059 1.00 0.00 H new ATOM 0 HA ARG A 65 12.178 4.543 9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.192 5.832 8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.167 6.081 6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.454 7.152 8.444 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.565 6.980 9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.248 8.359 8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.140 8.528 7.229 1.00 0.00 H new ATOM 0 HE ARG A 65 11.851 9.399 9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.333 10.313 7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.130 12.044 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.593 11.624 10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.585 12.784 9.124 1.00 0.00 H new ATOM 1034 N GLU A 66 10.025 4.433 8.170 1.00 0.00 N ATOM 1035 CA GLU A 66 8.733 4.343 7.501 1.00 0.00 C ATOM 1036 C GLU A 66 7.962 5.654 7.628 1.00 0.00 C ATOM 1037 O GLU A 66 8.186 6.429 8.558 1.00 0.00 O ATOM 1038 CB GLU A 66 7.908 3.195 8.087 1.00 0.00 C ATOM 1039 CG GLU A 66 7.602 3.359 9.566 1.00 0.00 C ATOM 1040 CD GLU A 66 6.814 4.621 9.862 1.00 0.00 C ATOM 1041 OE1 GLU A 66 5.873 4.926 9.100 1.00 0.00 O ATOM 1042 OE2 GLU A 66 7.139 5.303 10.857 1.00 0.00 O ATOM 0 H GLU A 66 9.973 4.442 9.189 1.00 0.00 H new ATOM 0 HA GLU A 66 8.914 4.148 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.970 3.115 7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.446 2.259 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.039 2.493 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.537 3.379 10.127 1.00 0.00 H new ATOM 1049 N ILE A 67 7.055 5.894 6.687 1.00 0.00 N ATOM 1050 CA ILE A 67 6.251 7.109 6.694 1.00 0.00 C ATOM 1051 C ILE A 67 4.765 6.786 6.809 1.00 0.00 C ATOM 1052 O ILE A 67 4.189 6.151 5.926 1.00 0.00 O ATOM 1053 CB ILE A 67 6.486 7.947 5.423 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.963 8.329 5.303 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.611 9.191 5.440 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.799 7.291 4.588 1.00 0.00 C ATOM 0 H ILE A 67 6.859 5.263 5.910 1.00 0.00 H new ATOM 0 HA ILE A 67 6.562 7.687 7.564 1.00 0.00 H new ATOM 0 HB ILE A 67 6.214 7.347 4.555 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.043 9.277 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.371 8.488 6.301 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.788 9.773 4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.562 8.898 5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.855 9.795 6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.834 7.628 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.750 6.347 5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.416 7.149 3.577 1.00 0.00 H new ATOM 1068 N GLU A 68 4.152 7.228 7.902 1.00 0.00 N ATOM 1069 CA GLU A 68 2.732 6.985 8.131 1.00 0.00 C ATOM 1070 C GLU A 68 1.877 7.851 7.211 1.00 0.00 C ATOM 1071 O GLU A 68 1.902 9.080 7.294 1.00 0.00 O ATOM 1072 CB GLU A 68 2.373 7.266 9.592 1.00 0.00 C ATOM 1073 CG GLU A 68 3.185 6.451 10.585 1.00 0.00 C ATOM 1074 CD GLU A 68 2.770 6.702 12.022 1.00 0.00 C ATOM 1075 OE1 GLU A 68 1.633 6.334 12.384 1.00 0.00 O ATOM 1076 OE2 GLU A 68 3.582 7.267 12.784 1.00 0.00 O ATOM 0 H GLU A 68 4.615 7.755 8.642 1.00 0.00 H new ATOM 0 HA GLU A 68 2.528 5.937 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.522 8.326 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.314 7.058 9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.072 5.391 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.242 6.691 10.469 1.00 0.00 H new ATOM 1083 N LEU A 69 1.120 7.202 6.332 1.00 0.00 N ATOM 1084 CA LEU A 69 0.257 7.911 5.394 1.00 0.00 C ATOM 1085 C LEU A 69 -1.071 8.280 6.049 1.00 0.00 C ATOM 1086 O LEU A 69 -2.003 7.477 6.078 1.00 0.00 O ATOM 1087 CB LEU A 69 0.006 7.054 4.153 1.00 0.00 C ATOM 1088 CG LEU A 69 1.244 6.440 3.499 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.880 5.162 2.759 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.898 7.438 2.554 1.00 0.00 C ATOM 0 H LEU A 69 1.087 6.186 6.250 1.00 0.00 H new ATOM 0 HA LEU A 69 0.762 8.830 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.674 6.247 4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.506 7.666 3.411 1.00 0.00 H new ATOM 0 HG LEU A 69 1.959 6.190 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.774 4.740 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.458 4.443 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.146 5.386 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.778 6.984 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.189 7.720 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.196 8.326 3.112 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.149 9.500 6.571 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.363 9.975 7.223 1.00 0.00 C ATOM 1104 C GLU A 70 -3.397 10.419 6.192 1.00 0.00 C ATOM 1105 O GLU A 70 -4.599 10.256 6.394 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.041 11.133 8.170 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.314 12.285 7.496 1.00 0.00 C ATOM 1108 CD GLU A 70 -1.266 13.530 8.361 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.372 13.617 9.228 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -2.124 14.417 8.170 1.00 0.00 O ATOM 0 H GLU A 70 -0.386 10.177 6.555 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.781 9.150 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.969 11.505 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.430 10.760 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.297 11.976 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.809 12.521 6.554 1.00 0.00 H new ATOM 1117 N ASN A 71 -2.918 10.981 5.087 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.800 11.450 4.025 1.00 0.00 C ATOM 1119 C ASN A 71 -4.451 10.275 3.300 1.00 0.00 C ATOM 1120 O ASN A 71 -3.764 9.423 2.737 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.020 12.310 3.028 1.00 0.00 C ATOM 1122 CG ASN A 71 -2.681 13.678 3.586 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -3.593 14.629 3.415 1.00 0.00 O flip ATOM 1124 ND2 ASN A 71 -1.613 13.878 4.165 1.00 0.00 N flip ATOM 0 H ASN A 71 -1.925 11.123 4.904 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.585 12.054 4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.100 11.796 2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.607 12.427 2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.942 13.118 4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.400 14.804 4.536 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.778 10.239 3.318 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.523 9.170 2.661 1.00 0.00 C ATOM 1133 C ASP A 72 -7.049 9.629 1.305 1.00 0.00 C ATOM 1134 O ASP A 72 -7.215 8.824 0.387 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.684 8.711 3.545 1.00 0.00 C ATOM 1136 CG ASP A 72 -8.219 9.825 4.423 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -7.662 10.034 5.521 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -9.193 10.488 4.012 1.00 0.00 O ATOM 0 H ASP A 72 -6.361 10.937 3.780 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.845 8.332 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.488 8.331 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.353 7.884 4.173 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.312 10.926 1.186 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.821 11.492 -0.058 1.00 0.00 C ATOM 1145 C LEU A 73 -6.686 11.754 -1.042 1.00 0.00 C ATOM 1146 O LEU A 73 -6.920 12.156 -2.181 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.578 12.792 0.222 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.834 12.664 1.084 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.386 14.038 1.430 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.888 11.828 0.371 1.00 0.00 C ATOM 0 H LEU A 73 -7.181 11.605 1.936 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.504 10.769 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.896 13.488 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.860 13.238 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.565 12.159 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.280 13.927 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.635 14.604 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.639 14.570 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.775 11.748 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.154 12.305 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.491 10.832 0.175 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.456 11.520 -0.595 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.285 11.729 -1.438 1.00 0.00 C ATOM 1164 C GLN A 74 -3.767 10.404 -1.989 1.00 0.00 C ATOM 1165 O GLN A 74 -3.762 9.379 -1.306 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.181 12.432 -0.647 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.505 13.877 -0.302 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.322 14.813 -1.480 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -3.154 14.373 -2.618 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.355 16.114 -1.213 1.00 0.00 N ATOM 0 H GLN A 74 -5.245 11.186 0.345 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.580 12.360 -2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.998 11.880 0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.257 12.404 -1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.534 13.940 0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.866 14.203 0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.497 16.435 -0.255 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.239 16.792 -1.966 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.320 10.423 -3.253 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.792 9.231 -3.924 1.00 0.00 C ATOM 1181 C PRO A 75 -1.448 8.792 -3.352 1.00 0.00 C ATOM 1182 O PRO A 75 -0.913 9.425 -2.441 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.632 9.683 -5.377 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.467 11.162 -5.298 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.296 11.609 -4.126 1.00 0.00 C ATOM 0 HA PRO A 75 -3.449 8.370 -3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.767 9.213 -5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.503 9.413 -5.974 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.420 11.431 -5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.801 11.642 -6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.852 12.469 -3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.300 11.903 -4.433 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.907 7.705 -3.891 1.00 0.00 N ATOM 1194 CA LEU A 76 0.375 7.182 -3.435 1.00 0.00 C ATOM 1195 C LEU A 76 1.529 8.023 -3.971 1.00 0.00 C ATOM 1196 O LEU A 76 2.541 8.207 -3.296 1.00 0.00 O ATOM 1197 CB LEU A 76 0.542 5.727 -3.879 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.287 4.694 -3.115 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.089 4.691 -1.641 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.774 4.969 -3.287 1.00 0.00 C ATOM 0 H LEU A 76 -1.337 7.169 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 76 0.391 7.228 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.286 5.659 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.594 5.459 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.070 3.708 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.511 3.950 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.145 4.444 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.097 5.677 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.348 4.224 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.007 5.962 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.034 4.918 -4.344 1.00 0.00 H new ATOM 1212 N GLN A 77 1.367 8.534 -5.187 1.00 0.00 N ATOM 1213 CA GLN A 77 2.395 9.358 -5.812 1.00 0.00 C ATOM 1214 C GLN A 77 2.654 10.619 -4.994 1.00 0.00 C ATOM 1215 O GLN A 77 3.744 11.190 -5.043 1.00 0.00 O ATOM 1216 CB GLN A 77 1.980 9.735 -7.235 1.00 0.00 C ATOM 1217 CG GLN A 77 2.825 10.844 -7.842 1.00 0.00 C ATOM 1218 CD GLN A 77 2.361 11.240 -9.229 1.00 0.00 C ATOM 1219 OE1 GLN A 77 3.032 10.963 -10.224 1.00 0.00 O ATOM 1220 NE2 GLN A 77 1.206 11.891 -9.304 1.00 0.00 N ATOM 0 H GLN A 77 0.534 8.392 -5.759 1.00 0.00 H new ATOM 0 HA GLN A 77 3.317 8.777 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.045 8.851 -7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.936 10.047 -7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.794 11.717 -7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.864 10.519 -7.890 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.682 12.100 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.843 12.182 -10.212 1.00 0.00 H new ATOM 1229 N PHE A 78 1.645 11.049 -4.244 1.00 0.00 N ATOM 1230 CA PHE A 78 1.763 12.244 -3.416 1.00 0.00 C ATOM 1231 C PHE A 78 2.861 12.074 -2.370 1.00 0.00 C ATOM 1232 O PHE A 78 3.505 13.043 -1.967 1.00 0.00 O ATOM 1233 CB PHE A 78 0.430 12.547 -2.728 1.00 0.00 C ATOM 1234 CG PHE A 78 0.505 13.688 -1.753 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.905 13.473 -0.444 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.174 14.974 -2.147 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.974 14.521 0.455 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.242 16.026 -1.252 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.642 15.799 0.050 1.00 0.00 C ATOM 0 H PHE A 78 0.737 10.588 -4.192 1.00 0.00 H new ATOM 0 HA PHE A 78 2.028 13.080 -4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.318 12.777 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.089 11.654 -2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.166 12.476 -0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.140 15.157 -3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.287 14.341 1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.018 17.025 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.695 16.619 0.750 1.00 0.00 H new ATOM 1249 N TYR A 79 3.068 10.837 -1.934 1.00 0.00 N ATOM 1250 CA TYR A 79 4.086 10.539 -0.933 1.00 0.00 C ATOM 1251 C TYR A 79 5.379 10.072 -1.593 1.00 0.00 C ATOM 1252 O TYR A 79 6.173 9.352 -0.987 1.00 0.00 O ATOM 1253 CB TYR A 79 3.580 9.470 0.037 1.00 0.00 C ATOM 1254 CG TYR A 79 2.586 9.993 1.050 1.00 0.00 C ATOM 1255 CD1 TYR A 79 1.226 10.020 0.767 1.00 0.00 C ATOM 1256 CD2 TYR A 79 3.007 10.460 2.289 1.00 0.00 C ATOM 1257 CE1 TYR A 79 0.314 10.497 1.688 1.00 0.00 C ATOM 1258 CE2 TYR A 79 2.102 10.938 3.217 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.757 10.955 2.912 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.148 11.431 3.833 1.00 0.00 O ATOM 0 H TYR A 79 2.544 10.024 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 79 4.293 11.454 -0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.116 8.665 -0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.430 9.038 0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.876 9.662 -0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.060 10.449 2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.740 10.511 1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 79 2.446 11.296 4.176 1.00 0.00 H new ATOM 0 HH TYR A 79 0.327 11.713 4.642 1.00 0.00 H new ATOM 1270 N SER A 80 5.584 10.488 -2.838 1.00 0.00 N ATOM 1271 CA SER A 80 6.779 10.110 -3.584 1.00 0.00 C ATOM 1272 C SER A 80 6.940 8.593 -3.621 1.00 0.00 C ATOM 1273 O SER A 80 8.044 8.070 -3.471 1.00 0.00 O ATOM 1274 CB SER A 80 8.020 10.750 -2.958 1.00 0.00 C ATOM 1275 OG SER A 80 8.202 12.075 -3.427 1.00 0.00 O ATOM 0 H SER A 80 4.938 11.087 -3.352 1.00 0.00 H new ATOM 0 HA SER A 80 6.668 10.471 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.922 10.755 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.900 10.153 -3.196 1.00 0.00 H new ATOM 0 HG SER A 80 9.000 12.463 -3.011 1.00 0.00 H new ATOM 1281 N VAL A 81 5.828 7.892 -3.821 1.00 0.00 N ATOM 1282 CA VAL A 81 5.844 6.435 -3.879 1.00 0.00 C ATOM 1283 C VAL A 81 6.054 5.944 -5.307 1.00 0.00 C ATOM 1284 O VAL A 81 5.386 6.400 -6.234 1.00 0.00 O ATOM 1285 CB VAL A 81 4.535 5.837 -3.330 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.530 4.324 -3.489 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.341 6.229 -1.873 1.00 0.00 C ATOM 0 H VAL A 81 4.906 8.309 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 81 6.676 6.103 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 81 3.702 6.241 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.597 3.920 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.619 4.069 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.370 3.898 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.411 5.798 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.177 5.855 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.296 7.315 -1.791 1.00 0.00 H new ATOM 1297 N GLU A 82 6.987 5.012 -5.475 1.00 0.00 N ATOM 1298 CA GLU A 82 7.285 4.459 -6.791 1.00 0.00 C ATOM 1299 C GLU A 82 7.335 2.935 -6.743 1.00 0.00 C ATOM 1300 O GLU A 82 7.042 2.326 -5.715 1.00 0.00 O ATOM 1301 CB GLU A 82 8.615 5.008 -7.310 1.00 0.00 C ATOM 1302 CG GLU A 82 9.670 5.171 -6.229 1.00 0.00 C ATOM 1303 CD GLU A 82 10.547 3.943 -6.081 1.00 0.00 C ATOM 1304 OE1 GLU A 82 10.989 3.400 -7.115 1.00 0.00 O ATOM 1305 OE2 GLU A 82 10.793 3.525 -4.930 1.00 0.00 O ATOM 0 H GLU A 82 7.549 4.624 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 82 6.487 4.757 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.998 4.340 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.440 5.974 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.295 6.033 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.181 5.381 -5.278 1.00 0.00 H new ATOM 1312 N ASN A 83 7.709 2.325 -7.863 1.00 0.00 N ATOM 1313 CA ASN A 83 7.797 0.872 -7.949 1.00 0.00 C ATOM 1314 C ASN A 83 8.988 0.351 -7.150 1.00 0.00 C ATOM 1315 O ASN A 83 10.060 0.954 -7.149 1.00 0.00 O ATOM 1316 CB ASN A 83 7.919 0.433 -9.410 1.00 0.00 C ATOM 1317 CG ASN A 83 9.350 0.477 -9.910 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.937 -0.555 -10.236 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.918 1.676 -9.972 1.00 0.00 N ATOM 0 H ASN A 83 7.956 2.814 -8.723 1.00 0.00 H new ATOM 0 HA ASN A 83 6.885 0.452 -7.525 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.531 -0.580 -9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.299 1.078 -10.033 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.879 1.769 -10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.393 2.504 -9.691 1.00 0.00 H new ATOM 1326 N GLY A 84 8.790 -0.775 -6.471 1.00 0.00 N ATOM 1327 CA GLY A 84 9.856 -1.359 -5.677 1.00 0.00 C ATOM 1328 C GLY A 84 9.667 -1.124 -4.191 1.00 0.00 C ATOM 1329 O GLY A 84 9.970 -1.994 -3.375 1.00 0.00 O ATOM 0 H GLY A 84 7.911 -1.293 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.903 -2.431 -5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.811 -0.937 -5.990 1.00 0.00 H new ATOM 1333 N ASP A 85 9.168 0.056 -3.839 1.00 0.00 N ATOM 1334 CA ASP A 85 8.940 0.403 -2.441 1.00 0.00 C ATOM 1335 C ASP A 85 8.199 -0.716 -1.717 1.00 0.00 C ATOM 1336 O ASP A 85 7.579 -1.573 -2.347 1.00 0.00 O ATOM 1337 CB ASP A 85 8.146 1.707 -2.341 1.00 0.00 C ATOM 1338 CG ASP A 85 7.364 1.809 -1.046 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.996 1.810 0.031 1.00 0.00 O ATOM 1340 OD2 ASP A 85 6.119 1.889 -1.111 1.00 0.00 O ATOM 0 H ASP A 85 8.914 0.788 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 85 9.910 0.540 -1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.830 2.552 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.458 1.776 -3.184 1.00 0.00 H new ATOM 1345 N CYS A 86 8.269 -0.702 -0.390 1.00 0.00 N ATOM 1346 CA CYS A 86 7.606 -1.718 0.420 1.00 0.00 C ATOM 1347 C CYS A 86 6.353 -1.153 1.081 1.00 0.00 C ATOM 1348 O CYS A 86 6.337 -0.005 1.528 1.00 0.00 O ATOM 1349 CB CYS A 86 8.562 -2.253 1.487 1.00 0.00 C ATOM 1350 SG CYS A 86 9.959 -3.190 0.824 1.00 0.00 S ATOM 0 H CYS A 86 8.777 0.001 0.147 1.00 0.00 H new ATOM 0 HA CYS A 86 7.311 -2.536 -0.237 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.944 -1.415 2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.004 -2.890 2.173 1.00 0.00 H new ATOM 0 HG CYS A 86 10.711 -3.598 1.803 1.00 0.00 H new ATOM 1356 N LEU A 87 5.303 -1.965 1.137 1.00 0.00 N ATOM 1357 CA LEU A 87 4.043 -1.546 1.742 1.00 0.00 C ATOM 1358 C LEU A 87 3.851 -2.199 3.107 1.00 0.00 C ATOM 1359 O LEU A 87 3.852 -3.425 3.227 1.00 0.00 O ATOM 1360 CB LEU A 87 2.872 -1.902 0.825 1.00 0.00 C ATOM 1361 CG LEU A 87 2.715 -1.040 -0.428 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.618 -1.594 -1.324 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.417 0.403 -0.049 1.00 0.00 C ATOM 0 H LEU A 87 5.299 -2.917 0.771 1.00 0.00 H new ATOM 0 HA LEU A 87 4.075 -0.465 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.982 -2.941 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.951 -1.838 1.404 1.00 0.00 H new ATOM 0 HG LEU A 87 3.654 -1.064 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.521 -0.967 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.872 -2.611 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.673 -1.602 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.308 1.002 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.492 0.444 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.236 0.798 0.552 1.00 0.00 H new ATOM 1375 N LEU A 88 3.684 -1.372 4.134 1.00 0.00 N ATOM 1376 CA LEU A 88 3.487 -1.868 5.491 1.00 0.00 C ATOM 1377 C LEU A 88 2.076 -1.565 5.983 1.00 0.00 C ATOM 1378 O LEU A 88 1.707 -0.404 6.166 1.00 0.00 O ATOM 1379 CB LEU A 88 4.515 -1.243 6.437 1.00 0.00 C ATOM 1380 CG LEU A 88 5.978 -1.358 6.009 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.819 -0.290 6.691 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.518 -2.746 6.323 1.00 0.00 C ATOM 0 H LEU A 88 3.681 -0.355 4.052 1.00 0.00 H new ATOM 0 HA LEU A 88 3.622 -2.949 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.274 -0.187 6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.406 -1.707 7.417 1.00 0.00 H new ATOM 0 HG LEU A 88 6.035 -1.203 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.857 -0.387 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.447 0.697 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.756 -0.413 7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.561 -2.810 6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.448 -2.930 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.933 -3.494 5.787 1.00 0.00 H new ATOM 1394 N VAL A 89 1.291 -2.616 6.198 1.00 0.00 N ATOM 1395 CA VAL A 89 -0.079 -2.462 6.673 1.00 0.00 C ATOM 1396 C VAL A 89 -0.184 -2.773 8.161 1.00 0.00 C ATOM 1397 O VAL A 89 -0.273 -3.935 8.559 1.00 0.00 O ATOM 1398 CB VAL A 89 -1.047 -3.378 5.899 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.456 -3.261 6.460 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -1.025 -3.043 4.415 1.00 0.00 C ATOM 0 H VAL A 89 1.580 -3.583 6.051 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.358 -1.422 6.502 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.718 -4.410 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.126 -3.915 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.455 -3.554 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.798 -2.230 6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.714 -3.699 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.328 -2.006 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.017 -3.184 4.025 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.172 -1.726 8.981 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.265 -1.887 10.427 1.00 0.00 C ATOM 1412 C ARG A 90 -1.514 -1.200 10.971 1.00 0.00 C ATOM 1413 O ARG A 90 -2.003 -0.230 10.392 1.00 0.00 O ATOM 1414 CB ARG A 90 0.982 -1.317 11.106 1.00 0.00 C ATOM 1415 CG ARG A 90 0.835 -1.154 12.610 1.00 0.00 C ATOM 1416 CD ARG A 90 0.218 0.188 12.967 1.00 0.00 C ATOM 1417 NE ARG A 90 0.664 0.666 14.274 1.00 0.00 N ATOM 1418 CZ ARG A 90 0.247 0.151 15.425 1.00 0.00 C ATOM 1419 NH1 ARG A 90 -0.621 -0.851 15.432 1.00 0.00 N ATOM 1420 NH2 ARG A 90 0.699 0.640 16.573 1.00 0.00 N ATOM 0 H ARG A 90 -0.099 -0.758 8.668 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.334 -2.953 10.646 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.829 -1.972 10.901 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.215 -0.348 10.665 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.214 -1.958 13.005 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.812 -1.244 13.084 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.480 0.921 12.204 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.868 0.099 12.965 1.00 0.00 H new ATOM 0 HE ARG A 90 1.332 1.437 14.304 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.971 -1.229 14.552 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.939 -1.244 16.318 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.367 1.411 16.571 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.379 0.245 17.457 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.023 -1.708 12.087 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.215 -1.143 12.710 1.00 0.00 C ATOM 1436 C TRP A 91 -3.211 -1.388 14.215 1.00 0.00 C ATOM 1437 O TRP A 91 -2.665 -2.384 14.689 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.475 -1.745 12.086 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.669 -3.194 12.419 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.219 -3.706 13.559 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.312 -4.316 11.604 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.225 -5.079 13.502 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.675 -5.478 12.312 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.724 -4.452 10.344 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.467 -6.756 11.802 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.517 -5.721 9.839 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.888 -6.860 10.566 1.00 0.00 C ATOM 0 H TRP A 91 -1.629 -2.510 12.579 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.210 -0.067 12.536 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.344 -1.182 12.425 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.425 -1.632 11.003 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.594 -3.118 14.384 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.581 -5.701 14.228 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.436 -3.580 9.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.752 -7.635 12.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -3.061 -5.837 8.867 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.714 -7.838 10.143 1.00 0.00 H new