USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 714 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 3 THR OG1 : rot 180:sc= 0.267 USER MOD Set 1.2: A 77 THR OG1 : rot -70:sc= 0.238 USER MOD Set 2.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -50:sc= 1.86 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= -0.338 (180deg=-0.426) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= -0.0951 (180deg=-0.448) USER MOD Single : A 33 ASN : amide:sc= -0.76 K(o=-0.76,f=-1.5) USER MOD Single : A 36 THR OG1 : rot -101:sc= -0.358 USER MOD Single : A 38 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.36) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 165:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -2.72 K(o=-2.7,f=-1.6) USER MOD Single : A 59 CYS SG : rot -46:sc= -2.19 USER MOD Single : A 60 HIS : no HE2:sc= -6.2! C(o=-6.2!,f=-8.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -145:sc= 0.0762 USER MOD Single : A 70 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc=-0.00485 X(o=-0.0049,f=-0.0049) USER MOD Single : A 76 ASN : amide:sc= -0.0749 K(o=-0.075,f=-0.78) USER MOD Single : A 85 SER OG : rot -170:sc= -0.84 USER MOD Single : A 86 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.41) USER MOD Single : A 87 SER OG : rot 180:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 3.042 -6.738 12.629 1.00 0.00 N ATOM 21 CA LEU A 2 3.520 -7.134 11.308 1.00 0.00 C ATOM 22 C LEU A 2 4.688 -6.257 10.868 1.00 0.00 C ATOM 23 O LEU A 2 4.739 -5.070 11.185 1.00 0.00 O ATOM 24 CB LEU A 2 2.387 -7.046 10.283 1.00 0.00 C ATOM 25 CG LEU A 2 1.447 -5.852 10.456 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.927 -5.381 9.108 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.291 -6.215 11.377 1.00 0.00 C ATOM 0 HA LEU A 2 3.865 -8.166 11.369 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.823 -7.004 9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.799 -7.962 10.335 1.00 0.00 H new ATOM 0 HG LEU A 2 2.008 -5.035 10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.260 -4.531 9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.765 -5.082 8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.382 -6.192 8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.369 -5.355 11.490 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.268 -7.047 10.949 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.680 -6.504 12.353 1.00 0.00 H new ATOM 39 N THR A 3 5.623 -6.852 10.134 1.00 0.00 N ATOM 40 CA THR A 3 6.790 -6.126 9.649 1.00 0.00 C ATOM 41 C THR A 3 6.446 -5.312 8.407 1.00 0.00 C ATOM 42 O THR A 3 5.285 -5.230 8.009 1.00 0.00 O ATOM 43 CB THR A 3 7.929 -7.097 9.332 1.00 0.00 C ATOM 44 OG1 THR A 3 7.710 -8.350 9.959 1.00 0.00 O ATOM 45 CG2 THR A 3 9.285 -6.593 9.776 1.00 0.00 C ATOM 0 H THR A 3 5.595 -7.835 9.862 1.00 0.00 H new ATOM 0 HA THR A 3 7.112 -5.443 10.435 1.00 0.00 H new ATOM 0 HB THR A 3 7.932 -7.194 8.246 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.448 -8.957 9.743 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.048 -7.329 9.521 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.506 -5.652 9.272 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.279 -6.435 10.854 1.00 0.00 H new ATOM 53 N ILE A 4 7.465 -4.711 7.798 1.00 0.00 N ATOM 54 CA ILE A 4 7.272 -3.905 6.604 1.00 0.00 C ATOM 55 C ILE A 4 8.396 -4.140 5.598 1.00 0.00 C ATOM 56 O ILE A 4 9.548 -3.783 5.846 1.00 0.00 O ATOM 57 CB ILE A 4 7.208 -2.407 6.948 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.158 -2.155 8.032 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.898 -1.593 5.704 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.730 -2.123 9.432 1.00 0.00 C ATOM 0 H ILE A 4 8.433 -4.769 8.115 1.00 0.00 H new ATOM 0 HA ILE A 4 6.323 -4.209 6.161 1.00 0.00 H new ATOM 0 HB ILE A 4 8.180 -2.094 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.660 -1.207 7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.397 -2.933 7.977 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.856 -0.535 5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.678 -1.754 4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.937 -1.905 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.929 -1.940 10.148 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.204 -3.079 9.654 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.470 -1.326 9.504 1.00 0.00 H new ATOM 72 N GLU A 5 8.052 -4.740 4.464 1.00 0.00 N ATOM 73 CA GLU A 5 9.032 -5.021 3.420 1.00 0.00 C ATOM 74 C GLU A 5 8.759 -4.174 2.180 1.00 0.00 C ATOM 75 O GLU A 5 7.666 -3.633 2.014 1.00 0.00 O ATOM 76 CB GLU A 5 9.007 -6.506 3.054 1.00 0.00 C ATOM 77 CG GLU A 5 10.054 -7.329 3.787 1.00 0.00 C ATOM 78 CD GLU A 5 11.466 -7.012 3.333 1.00 0.00 C ATOM 79 OE1 GLU A 5 12.090 -6.105 3.922 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.947 -7.671 2.388 1.00 0.00 O ATOM 0 H GLU A 5 7.103 -5.041 4.244 1.00 0.00 H new ATOM 0 HA GLU A 5 10.020 -4.766 3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.019 -6.910 3.275 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.161 -6.610 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.971 -7.146 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.854 -8.389 3.629 1.00 0.00 H new ATOM 87 N THR A 6 9.760 -4.062 1.313 1.00 0.00 N ATOM 88 CA THR A 6 9.625 -3.281 0.090 1.00 0.00 C ATOM 89 C THR A 6 10.341 -3.957 -1.074 1.00 0.00 C ATOM 90 O THR A 6 11.403 -4.554 -0.899 1.00 0.00 O ATOM 91 CB THR A 6 10.183 -1.872 0.296 1.00 0.00 C ATOM 92 OG1 THR A 6 11.564 -1.921 0.606 1.00 0.00 O ATOM 93 CG2 THR A 6 9.490 -1.108 1.404 1.00 0.00 C ATOM 0 H THR A 6 10.672 -4.502 1.435 1.00 0.00 H new ATOM 0 HA THR A 6 8.564 -3.215 -0.151 1.00 0.00 H new ATOM 0 HB THR A 6 10.007 -1.352 -0.645 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.903 -1.010 0.733 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.935 -0.117 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.430 -1.009 1.170 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.605 -1.647 2.345 1.00 0.00 H new ATOM 101 N SER A 7 9.751 -3.859 -2.261 1.00 0.00 N ATOM 102 CA SER A 7 10.330 -4.462 -3.455 1.00 0.00 C ATOM 103 C SER A 7 11.372 -3.540 -4.082 1.00 0.00 C ATOM 104 O SER A 7 11.566 -2.411 -3.632 1.00 0.00 O ATOM 105 CB SER A 7 9.235 -4.781 -4.474 1.00 0.00 C ATOM 106 OG SER A 7 8.002 -5.051 -3.831 1.00 0.00 O ATOM 0 H SER A 7 8.872 -3.367 -2.421 1.00 0.00 H new ATOM 0 HA SER A 7 10.823 -5.388 -3.160 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.115 -3.941 -5.158 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.532 -5.641 -5.074 1.00 0.00 H new ATOM 0 HG SER A 7 8.142 -5.707 -3.117 1.00 0.00 H new ATOM 112 N LYS A 8 12.037 -4.028 -5.123 1.00 0.00 N ATOM 113 CA LYS A 8 13.057 -3.247 -5.813 1.00 0.00 C ATOM 114 C LYS A 8 12.442 -2.023 -6.483 1.00 0.00 C ATOM 115 O LYS A 8 12.971 -0.915 -6.381 1.00 0.00 O ATOM 116 CB LYS A 8 13.773 -4.110 -6.856 1.00 0.00 C ATOM 117 CG LYS A 8 14.138 -5.498 -6.350 1.00 0.00 C ATOM 118 CD LYS A 8 15.619 -5.789 -6.539 1.00 0.00 C ATOM 119 CE LYS A 8 15.867 -6.641 -7.774 1.00 0.00 C ATOM 120 NZ LYS A 8 17.033 -7.549 -7.599 1.00 0.00 N ATOM 0 H LYS A 8 11.888 -4.961 -5.508 1.00 0.00 H new ATOM 0 HA LYS A 8 13.783 -2.908 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.135 -4.209 -7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.681 -3.599 -7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.882 -5.580 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.549 -6.246 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.167 -4.851 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.005 -6.302 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.977 -7.231 -7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.038 -5.993 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.168 -8.112 -8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.888 -6.985 -7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.860 -8.185 -6.795 1.00 0.00 H new ATOM 134 N LYS A 9 11.324 -2.231 -7.168 1.00 0.00 N ATOM 135 CA LYS A 9 10.635 -1.144 -7.855 1.00 0.00 C ATOM 136 C LYS A 9 10.184 -0.068 -6.868 1.00 0.00 C ATOM 137 O LYS A 9 9.952 1.078 -7.251 1.00 0.00 O ATOM 138 CB LYS A 9 9.428 -1.685 -8.624 1.00 0.00 C ATOM 139 CG LYS A 9 9.803 -2.544 -9.818 1.00 0.00 C ATOM 140 CD LYS A 9 8.730 -2.501 -10.896 1.00 0.00 C ATOM 141 CE LYS A 9 8.773 -1.195 -11.674 1.00 0.00 C ATOM 142 NZ LYS A 9 9.452 -1.354 -12.990 1.00 0.00 N ATOM 0 H LYS A 9 10.875 -3.142 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 9 11.335 -0.692 -8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.809 -2.271 -7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.821 -0.847 -8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.750 -2.199 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.953 -3.574 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.867 -3.338 -11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.748 -2.621 -10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.757 -0.833 -11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.294 -0.439 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.460 -0.441 -13.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.430 -1.675 -12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.941 -2.056 -13.562 1.00 0.00 H new ATOM 156 N PHE A 10 10.060 -0.444 -5.600 1.00 0.00 N ATOM 157 CA PHE A 10 9.635 0.492 -4.565 1.00 0.00 C ATOM 158 C PHE A 10 10.670 1.597 -4.368 1.00 0.00 C ATOM 159 O PHE A 10 10.326 2.733 -4.045 1.00 0.00 O ATOM 160 CB PHE A 10 9.402 -0.244 -3.245 1.00 0.00 C ATOM 161 CG PHE A 10 8.202 0.249 -2.489 1.00 0.00 C ATOM 162 CD1 PHE A 10 8.286 1.377 -1.688 1.00 0.00 C ATOM 163 CD2 PHE A 10 6.989 -0.414 -2.583 1.00 0.00 C ATOM 164 CE1 PHE A 10 7.182 1.833 -0.995 1.00 0.00 C ATOM 165 CE2 PHE A 10 5.881 0.039 -1.890 1.00 0.00 C ATOM 166 CZ PHE A 10 5.978 1.163 -1.095 1.00 0.00 C ATOM 0 H PHE A 10 10.247 -1.389 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 10 8.700 0.949 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.282 -1.308 -3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.287 -0.137 -2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.225 1.905 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.908 -1.294 -3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.260 2.714 -0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.941 -0.486 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.114 1.518 -0.552 1.00 0.00 H new ATOM 176 N ASP A 11 11.939 1.253 -4.565 1.00 0.00 N ATOM 177 CA ASP A 11 13.024 2.216 -4.408 1.00 0.00 C ATOM 178 C ASP A 11 12.954 3.296 -5.483 1.00 0.00 C ATOM 179 O ASP A 11 13.110 4.483 -5.194 1.00 0.00 O ATOM 180 CB ASP A 11 14.377 1.505 -4.472 1.00 0.00 C ATOM 181 CG ASP A 11 15.420 2.171 -3.593 1.00 0.00 C ATOM 182 OD1 ASP A 11 15.431 1.898 -2.376 1.00 0.00 O ATOM 183 OD2 ASP A 11 16.223 2.966 -4.125 1.00 0.00 O ATOM 0 H ASP A 11 12.241 0.316 -4.833 1.00 0.00 H new ATOM 0 HA ASP A 11 12.916 2.692 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 11 14.254 0.467 -4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.729 1.491 -5.503 1.00 0.00 H new ATOM 188 N LYS A 12 12.718 2.877 -6.722 1.00 0.00 N ATOM 189 CA LYS A 12 12.629 3.810 -7.840 1.00 0.00 C ATOM 190 C LYS A 12 11.233 4.426 -7.942 1.00 0.00 C ATOM 191 O LYS A 12 11.013 5.352 -8.723 1.00 0.00 O ATOM 192 CB LYS A 12 12.983 3.103 -9.151 1.00 0.00 C ATOM 193 CG LYS A 12 12.042 1.963 -9.504 1.00 0.00 C ATOM 194 CD LYS A 12 12.749 0.891 -10.320 1.00 0.00 C ATOM 195 CE LYS A 12 11.869 0.377 -11.449 1.00 0.00 C ATOM 196 NZ LYS A 12 12.596 0.347 -12.749 1.00 0.00 N ATOM 0 H LYS A 12 12.585 1.898 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 12 13.343 4.614 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.975 3.833 -9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.999 2.715 -9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.643 1.523 -8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.194 2.351 -10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.672 1.297 -10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.028 0.062 -9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.516 -0.626 -11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.988 1.012 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.962 -0.009 -13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.911 1.308 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.423 -0.279 -12.670 1.00 0.00 H new ATOM 210 N ASP A 13 10.292 3.909 -7.156 1.00 0.00 N ATOM 211 CA ASP A 13 8.923 4.415 -7.169 1.00 0.00 C ATOM 212 C ASP A 13 8.739 5.541 -6.153 1.00 0.00 C ATOM 213 O ASP A 13 7.878 6.405 -6.322 1.00 0.00 O ATOM 214 CB ASP A 13 7.938 3.283 -6.874 1.00 0.00 C ATOM 215 CG ASP A 13 7.418 2.625 -8.136 1.00 0.00 C ATOM 216 OD1 ASP A 13 8.203 1.925 -8.808 1.00 0.00 O ATOM 217 OD2 ASP A 13 6.224 2.809 -8.452 1.00 0.00 O ATOM 0 H ASP A 13 10.452 3.142 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 13 8.724 4.816 -8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.426 2.533 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.099 3.676 -6.300 1.00 0.00 H new ATOM 222 N LEU A 14 9.544 5.521 -5.096 1.00 0.00 N ATOM 223 CA LEU A 14 9.460 6.537 -4.053 1.00 0.00 C ATOM 224 C LEU A 14 10.368 7.726 -4.357 1.00 0.00 C ATOM 225 O LEU A 14 9.985 8.879 -4.156 1.00 0.00 O ATOM 226 CB LEU A 14 9.826 5.932 -2.695 1.00 0.00 C ATOM 227 CG LEU A 14 8.787 6.140 -1.592 1.00 0.00 C ATOM 228 CD1 LEU A 14 7.590 5.227 -1.806 1.00 0.00 C ATOM 229 CD2 LEU A 14 9.408 5.897 -0.224 1.00 0.00 C ATOM 0 H LEU A 14 10.261 4.813 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 14 8.432 6.898 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.988 4.862 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.773 6.361 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 14 8.441 7.173 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.862 5.389 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.131 5.448 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.918 4.188 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.655 6.049 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.782 4.874 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.232 6.593 -0.070 1.00 0.00 H new ATOM 241 N LYS A 15 11.576 7.441 -4.837 1.00 0.00 N ATOM 242 CA LYS A 15 12.538 8.489 -5.161 1.00 0.00 C ATOM 243 C LYS A 15 11.943 9.510 -6.131 1.00 0.00 C ATOM 244 O LYS A 15 12.385 10.658 -6.185 1.00 0.00 O ATOM 245 CB LYS A 15 13.809 7.879 -5.758 1.00 0.00 C ATOM 246 CG LYS A 15 13.612 7.282 -7.141 1.00 0.00 C ATOM 247 CD LYS A 15 14.929 6.807 -7.736 1.00 0.00 C ATOM 248 CE LYS A 15 15.068 7.229 -9.192 1.00 0.00 C ATOM 249 NZ LYS A 15 14.233 6.391 -10.095 1.00 0.00 N ATOM 0 H LYS A 15 11.911 6.493 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 15 12.790 9.007 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.580 8.648 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.178 7.103 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.916 6.445 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.162 8.025 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.758 7.214 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.992 5.721 -7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.778 8.275 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.113 7.156 -9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.276 6.773 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.591 5.415 -10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.247 6.399 -9.763 1.00 0.00 H new ATOM 263 N ILE A 16 10.942 9.086 -6.895 1.00 0.00 N ATOM 264 CA ILE A 16 10.293 9.965 -7.861 1.00 0.00 C ATOM 265 C ILE A 16 9.222 10.821 -7.192 1.00 0.00 C ATOM 266 O ILE A 16 8.978 11.956 -7.600 1.00 0.00 O ATOM 267 CB ILE A 16 9.652 9.161 -9.008 1.00 0.00 C ATOM 268 CG1 ILE A 16 10.675 8.200 -9.616 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.096 10.096 -10.073 1.00 0.00 C ATOM 270 CD1 ILE A 16 11.840 8.900 -10.283 1.00 0.00 C ATOM 0 H ILE A 16 10.563 8.140 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 16 11.067 10.613 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 16 8.825 8.578 -8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.056 7.544 -8.833 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.175 7.566 -10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.648 9.509 -10.874 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.339 10.743 -9.630 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.903 10.707 -10.478 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.525 8.157 -10.692 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.470 9.535 -11.088 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.364 9.513 -9.550 1.00 0.00 H new ATOM 282 N LEU A 17 8.584 10.270 -6.165 1.00 0.00 N ATOM 283 CA LEU A 17 7.538 10.986 -5.445 1.00 0.00 C ATOM 284 C LEU A 17 8.136 11.936 -4.411 1.00 0.00 C ATOM 285 O LEU A 17 7.634 13.040 -4.207 1.00 0.00 O ATOM 286 CB LEU A 17 6.593 9.996 -4.758 1.00 0.00 C ATOM 287 CG LEU A 17 5.739 9.154 -5.707 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.032 8.044 -4.944 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.729 10.031 -6.433 1.00 0.00 C ATOM 0 H LEU A 17 8.773 9.331 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 17 6.975 11.575 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.184 9.326 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.931 10.550 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 17 6.394 8.697 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.429 7.455 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.772 7.400 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.388 8.480 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.129 9.416 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.078 10.515 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.256 10.791 -7.010 1.00 0.00 H new ATOM 301 N VAL A 18 9.209 11.498 -3.762 1.00 0.00 N ATOM 302 CA VAL A 18 9.874 12.309 -2.750 1.00 0.00 C ATOM 303 C VAL A 18 10.359 13.632 -3.337 1.00 0.00 C ATOM 304 O VAL A 18 10.422 14.645 -2.641 1.00 0.00 O ATOM 305 CB VAL A 18 11.069 11.562 -2.127 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.113 11.239 -3.185 1.00 0.00 C ATOM 307 CG2 VAL A 18 11.678 12.375 -0.994 1.00 0.00 C ATOM 0 H VAL A 18 9.637 10.585 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 18 9.139 12.511 -1.971 1.00 0.00 H new ATOM 0 HB VAL A 18 10.706 10.621 -1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.948 10.712 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.668 10.609 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.473 12.164 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.520 11.830 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.024 13.334 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.927 12.544 -0.223 1.00 0.00 H new ATOM 317 N LYS A 19 10.698 13.615 -4.622 1.00 0.00 N ATOM 318 CA LYS A 19 11.177 14.814 -5.302 1.00 0.00 C ATOM 319 C LYS A 19 10.017 15.747 -5.638 1.00 0.00 C ATOM 320 O LYS A 19 10.092 16.954 -5.412 1.00 0.00 O ATOM 321 CB LYS A 19 11.929 14.437 -6.579 1.00 0.00 C ATOM 322 CG LYS A 19 12.867 15.524 -7.076 1.00 0.00 C ATOM 323 CD LYS A 19 12.152 16.500 -7.997 1.00 0.00 C ATOM 324 CE LYS A 19 13.050 17.666 -8.379 1.00 0.00 C ATOM 325 NZ LYS A 19 13.641 17.488 -9.735 1.00 0.00 N ATOM 0 H LYS A 19 10.650 12.785 -5.213 1.00 0.00 H new ATOM 0 HA LYS A 19 11.858 15.335 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.503 13.528 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.206 14.207 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.283 16.064 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.704 15.069 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.827 15.980 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.255 16.876 -7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.475 18.592 -8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.849 17.765 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.247 18.303 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.210 16.618 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.879 17.419 -10.439 1.00 0.00 H new ATOM 339 N ASN A 20 8.944 15.178 -6.179 1.00 0.00 N ATOM 340 CA ASN A 20 7.769 15.957 -6.547 1.00 0.00 C ATOM 341 C ASN A 20 7.016 16.423 -5.304 1.00 0.00 C ATOM 342 O ASN A 20 6.400 17.489 -5.301 1.00 0.00 O ATOM 343 CB ASN A 20 6.842 15.131 -7.441 1.00 0.00 C ATOM 344 CG ASN A 20 7.014 15.460 -8.911 1.00 0.00 C ATOM 345 OD1 ASN A 20 6.194 16.162 -9.501 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.084 14.951 -9.510 1.00 0.00 N ATOM 0 H ASN A 20 8.865 14.180 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 20 8.104 16.836 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.039 14.071 -7.283 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.807 15.310 -7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.252 15.137 -10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.738 14.374 -8.981 1.00 0.00 H new ATOM 353 N GLY A 21 7.070 15.616 -4.249 1.00 0.00 N ATOM 354 CA GLY A 21 6.391 15.963 -3.015 1.00 0.00 C ATOM 355 C GLY A 21 5.929 14.743 -2.243 1.00 0.00 C ATOM 356 O GLY A 21 4.744 14.412 -2.242 1.00 0.00 O ATOM 0 H GLY A 21 7.572 14.728 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.061 16.553 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.531 16.592 -3.242 1.00 0.00 H new ATOM 360 N PHE A 22 6.870 14.072 -1.585 1.00 0.00 N ATOM 361 CA PHE A 22 6.554 12.881 -0.805 1.00 0.00 C ATOM 362 C PHE A 22 7.566 12.681 0.316 1.00 0.00 C ATOM 363 O PHE A 22 8.634 13.294 0.320 1.00 0.00 O ATOM 364 CB PHE A 22 6.525 11.645 -1.708 1.00 0.00 C ATOM 365 CG PHE A 22 5.803 10.477 -1.100 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.525 10.626 -0.584 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.401 9.228 -1.045 1.00 0.00 C ATOM 368 CE1 PHE A 22 3.859 9.554 -0.024 1.00 0.00 C ATOM 369 CE2 PHE A 22 5.739 8.151 -0.487 1.00 0.00 C ATOM 370 CZ PHE A 22 4.466 8.314 0.024 1.00 0.00 C ATOM 0 H PHE A 22 7.856 14.333 -1.577 1.00 0.00 H new ATOM 0 HA PHE A 22 5.569 13.020 -0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.047 11.906 -2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.548 11.349 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.044 11.592 -0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.396 9.095 -1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.864 9.685 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.216 7.183 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.946 7.474 0.460 1.00 0.00 H new ATOM 380 N ASP A 23 7.225 11.817 1.268 1.00 0.00 N ATOM 381 CA ASP A 23 8.107 11.535 2.395 1.00 0.00 C ATOM 382 C ASP A 23 7.989 10.076 2.824 1.00 0.00 C ATOM 383 O ASP A 23 7.045 9.382 2.448 1.00 0.00 O ATOM 384 CB ASP A 23 7.772 12.454 3.571 1.00 0.00 C ATOM 385 CG ASP A 23 9.014 12.944 4.292 1.00 0.00 C ATOM 386 OD1 ASP A 23 9.899 12.111 4.582 1.00 0.00 O ATOM 387 OD2 ASP A 23 9.100 14.159 4.568 1.00 0.00 O ATOM 0 H ASP A 23 6.345 11.301 1.281 1.00 0.00 H new ATOM 0 HA ASP A 23 9.134 11.720 2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.203 13.311 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.133 11.921 4.275 1.00 0.00 H new ATOM 392 N LEU A 24 8.954 9.618 3.613 1.00 0.00 N ATOM 393 CA LEU A 24 8.961 8.241 4.094 1.00 0.00 C ATOM 394 C LEU A 24 8.318 8.142 5.475 1.00 0.00 C ATOM 395 O LEU A 24 7.751 7.110 5.833 1.00 0.00 O ATOM 396 CB LEU A 24 10.391 7.703 4.145 1.00 0.00 C ATOM 397 CG LEU A 24 10.999 7.350 2.786 1.00 0.00 C ATOM 398 CD1 LEU A 24 11.527 8.600 2.098 1.00 0.00 C ATOM 399 CD2 LEU A 24 12.107 6.321 2.950 1.00 0.00 C ATOM 0 H LEU A 24 9.742 10.180 3.934 1.00 0.00 H new ATOM 0 HA LEU A 24 8.378 7.638 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.026 8.446 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.406 6.813 4.775 1.00 0.00 H new ATOM 0 HG LEU A 24 10.218 6.917 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.956 8.330 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.710 9.305 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.294 9.061 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.528 6.081 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.888 6.727 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.700 5.416 3.401 1.00 0.00 H new ATOM 411 N LYS A 25 8.413 9.220 6.246 1.00 0.00 N ATOM 412 CA LYS A 25 7.842 9.255 7.587 1.00 0.00 C ATOM 413 C LYS A 25 6.340 8.986 7.547 1.00 0.00 C ATOM 414 O LYS A 25 5.782 8.389 8.467 1.00 0.00 O ATOM 415 CB LYS A 25 8.119 10.608 8.247 1.00 0.00 C ATOM 416 CG LYS A 25 8.950 10.506 9.516 1.00 0.00 C ATOM 417 CD LYS A 25 10.424 10.769 9.244 1.00 0.00 C ATOM 418 CE LYS A 25 10.958 11.908 10.100 1.00 0.00 C ATOM 419 NZ LYS A 25 10.979 13.198 9.356 1.00 0.00 N ATOM 0 H LYS A 25 8.881 10.082 5.965 1.00 0.00 H new ATOM 0 HA LYS A 25 8.314 8.470 8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.636 11.252 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.170 11.090 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.582 11.222 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.831 9.513 9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.998 9.864 9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.563 11.010 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.340 12.013 10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.966 11.667 10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.349 13.949 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.589 13.106 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.013 13.441 9.056 1.00 0.00 H new ATOM 433 N LEU A 26 5.692 9.432 6.476 1.00 0.00 N ATOM 434 CA LEU A 26 4.257 9.238 6.315 1.00 0.00 C ATOM 435 C LEU A 26 3.937 7.789 5.961 1.00 0.00 C ATOM 436 O LEU A 26 2.875 7.274 6.311 1.00 0.00 O ATOM 437 CB LEU A 26 3.711 10.174 5.232 1.00 0.00 C ATOM 438 CG LEU A 26 4.293 9.957 3.835 1.00 0.00 C ATOM 439 CD1 LEU A 26 3.484 8.914 3.075 1.00 0.00 C ATOM 440 CD2 LEU A 26 4.331 11.268 3.066 1.00 0.00 C ATOM 0 H LEU A 26 6.139 9.931 5.706 1.00 0.00 H new ATOM 0 HA LEU A 26 3.777 9.474 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.629 10.053 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.903 11.204 5.533 1.00 0.00 H new ATOM 0 HG LEU A 26 5.314 9.589 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.913 8.773 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.507 7.969 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.452 9.253 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.748 11.096 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.320 11.664 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.953 11.986 3.601 1.00 0.00 H new ATOM 452 N LEU A 27 4.862 7.139 5.264 1.00 0.00 N ATOM 453 CA LEU A 27 4.680 5.750 4.861 1.00 0.00 C ATOM 454 C LEU A 27 4.841 4.807 6.049 1.00 0.00 C ATOM 455 O LEU A 27 4.289 3.706 6.059 1.00 0.00 O ATOM 456 CB LEU A 27 5.682 5.382 3.764 1.00 0.00 C ATOM 457 CG LEU A 27 5.414 4.049 3.063 1.00 0.00 C ATOM 458 CD1 LEU A 27 5.782 4.136 1.591 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.187 2.928 3.742 1.00 0.00 C ATOM 0 H LEU A 27 5.746 7.552 4.966 1.00 0.00 H new ATOM 0 HA LEU A 27 3.667 5.642 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.685 6.174 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.680 5.351 4.200 1.00 0.00 H new ATOM 0 HG LEU A 27 4.349 3.828 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.584 3.178 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.186 4.913 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.840 4.379 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.986 1.986 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.255 3.144 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.875 2.850 4.784 1.00 0.00 H new ATOM 471 N TYR A 28 5.602 5.242 7.050 1.00 0.00 N ATOM 472 CA TYR A 28 5.834 4.432 8.241 1.00 0.00 C ATOM 473 C TYR A 28 4.663 4.539 9.215 1.00 0.00 C ATOM 474 O TYR A 28 4.393 3.612 9.978 1.00 0.00 O ATOM 475 CB TYR A 28 7.131 4.864 8.930 1.00 0.00 C ATOM 476 CG TYR A 28 8.277 3.900 8.724 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.193 2.587 9.165 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.443 4.305 8.085 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.239 1.702 8.978 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.493 3.426 7.894 1.00 0.00 C ATOM 481 CZ TYR A 28 10.386 2.127 8.342 1.00 0.00 C ATOM 482 OH TYR A 28 11.428 1.249 8.154 1.00 0.00 O ATOM 0 H TYR A 28 6.068 6.150 7.060 1.00 0.00 H new ATOM 0 HA TYR A 28 5.924 3.391 7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.422 5.846 8.556 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.946 4.972 9.999 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.296 2.251 9.663 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.530 5.322 7.732 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.158 0.684 9.328 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.393 3.756 7.396 1.00 0.00 H new ATOM 0 HH TYR A 28 12.160 1.705 7.690 1.00 0.00 H new ATOM 492 N LYS A 29 3.974 5.675 9.187 1.00 0.00 N ATOM 493 CA LYS A 29 2.836 5.900 10.071 1.00 0.00 C ATOM 494 C LYS A 29 1.545 5.381 9.445 1.00 0.00 C ATOM 495 O LYS A 29 0.670 4.865 10.141 1.00 0.00 O ATOM 496 CB LYS A 29 2.701 7.390 10.392 1.00 0.00 C ATOM 497 CG LYS A 29 3.187 7.759 11.785 1.00 0.00 C ATOM 498 CD LYS A 29 4.701 7.671 11.889 1.00 0.00 C ATOM 499 CE LYS A 29 5.140 6.385 12.572 1.00 0.00 C ATOM 500 NZ LYS A 29 4.700 6.333 13.993 1.00 0.00 N ATOM 0 H LYS A 29 4.184 6.454 8.562 1.00 0.00 H new ATOM 0 HA LYS A 29 3.013 5.351 10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.264 7.964 9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.655 7.681 10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.863 8.771 12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.732 7.093 12.518 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.139 7.722 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.079 8.528 12.447 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.731 5.530 12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.226 6.301 12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.343 5.719 14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.715 7.291 14.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.734 5.952 14.043 1.00 0.00 H new ATOM 514 N VAL A 30 1.430 5.522 8.128 1.00 0.00 N ATOM 515 CA VAL A 30 0.246 5.068 7.411 1.00 0.00 C ATOM 516 C VAL A 30 0.067 3.555 7.532 1.00 0.00 C ATOM 517 O VAL A 30 -1.034 3.036 7.343 1.00 0.00 O ATOM 518 CB VAL A 30 0.310 5.451 5.918 1.00 0.00 C ATOM 519 CG1 VAL A 30 1.487 4.772 5.238 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.994 5.099 5.219 1.00 0.00 C ATOM 0 H VAL A 30 2.144 5.948 7.536 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.608 5.566 7.870 1.00 0.00 H new ATOM 0 HB VAL A 30 0.455 6.529 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.513 5.056 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.414 5.082 5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.380 3.690 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.929 5.377 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.173 4.027 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.816 5.641 5.687 1.00 0.00 H new ATOM 530 N VAL A 31 1.153 2.852 7.847 1.00 0.00 N ATOM 531 CA VAL A 31 1.113 1.399 7.989 1.00 0.00 C ATOM 532 C VAL A 31 -0.062 0.955 8.854 1.00 0.00 C ATOM 533 O VAL A 31 -0.634 -0.115 8.641 1.00 0.00 O ATOM 534 CB VAL A 31 2.419 0.860 8.604 1.00 0.00 C ATOM 535 CG1 VAL A 31 3.594 1.115 7.673 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.665 1.486 9.968 1.00 0.00 C ATOM 0 H VAL A 31 2.071 3.266 8.009 1.00 0.00 H new ATOM 0 HA VAL A 31 0.992 0.990 6.986 1.00 0.00 H new ATOM 0 HB VAL A 31 2.318 -0.217 8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.507 0.727 8.125 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.419 0.614 6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.699 2.187 7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.592 1.093 10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.744 2.568 9.863 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.836 1.246 10.633 1.00 0.00 H new ATOM 546 N GLY A 32 -0.419 1.785 9.829 1.00 0.00 N ATOM 547 CA GLY A 32 -1.526 1.460 10.709 1.00 0.00 C ATOM 548 C GLY A 32 -2.866 1.522 10.002 1.00 0.00 C ATOM 549 O GLY A 32 -3.816 0.846 10.397 1.00 0.00 O ATOM 0 H GLY A 32 0.038 2.676 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.380 0.460 11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.531 2.151 11.552 1.00 0.00 H new ATOM 553 N ASN A 33 -2.944 2.335 8.954 1.00 0.00 N ATOM 554 CA ASN A 33 -4.178 2.486 8.191 1.00 0.00 C ATOM 555 C ASN A 33 -4.242 1.474 7.050 1.00 0.00 C ATOM 556 O ASN A 33 -5.325 1.083 6.616 1.00 0.00 O ATOM 557 CB ASN A 33 -4.287 3.906 7.635 1.00 0.00 C ATOM 558 CG ASN A 33 -4.483 4.938 8.726 1.00 0.00 C ATOM 559 OD1 ASN A 33 -4.559 4.604 9.908 1.00 0.00 O ATOM 560 ND2 ASN A 33 -4.566 6.206 8.336 1.00 0.00 N ATOM 0 H ASN A 33 -2.166 2.900 8.613 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.016 2.300 8.863 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.385 4.143 7.072 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.122 3.957 6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.698 6.945 9.027 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.498 6.440 7.346 1.00 0.00 H new ATOM 567 N LEU A 34 -3.076 1.054 6.566 1.00 0.00 N ATOM 568 CA LEU A 34 -3.006 0.088 5.477 1.00 0.00 C ATOM 569 C LEU A 34 -3.539 -1.272 5.917 1.00 0.00 C ATOM 570 O LEU A 34 -4.291 -1.921 5.189 1.00 0.00 O ATOM 571 CB LEU A 34 -1.564 -0.054 4.984 1.00 0.00 C ATOM 572 CG LEU A 34 -0.888 1.254 4.571 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.558 1.003 4.170 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.651 1.913 3.433 1.00 0.00 C ATOM 0 H LEU A 34 -2.169 1.368 6.911 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.629 0.455 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.971 -0.518 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.553 -0.735 4.133 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.895 1.930 5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.024 1.945 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.100 0.575 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.587 0.309 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.155 2.842 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.676 1.242 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.670 2.128 3.755 1.00 0.00 H new ATOM 586 N ALA A 35 -3.144 -1.698 7.111 1.00 0.00 N ATOM 587 CA ALA A 35 -3.579 -2.983 7.648 1.00 0.00 C ATOM 588 C ALA A 35 -5.054 -2.951 8.033 1.00 0.00 C ATOM 589 O ALA A 35 -5.774 -3.933 7.850 1.00 0.00 O ATOM 590 CB ALA A 35 -2.729 -3.366 8.849 1.00 0.00 C ATOM 0 H ALA A 35 -2.523 -1.173 7.726 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.452 -3.734 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.064 -4.327 9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.685 -3.442 8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.828 -2.605 9.623 1.00 0.00 H new ATOM 596 N THR A 36 -5.499 -1.819 8.568 1.00 0.00 N ATOM 597 CA THR A 36 -6.889 -1.663 8.980 1.00 0.00 C ATOM 598 C THR A 36 -7.789 -1.391 7.778 1.00 0.00 C ATOM 599 O THR A 36 -8.891 -1.930 7.681 1.00 0.00 O ATOM 600 CB THR A 36 -7.018 -0.527 9.996 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.492 0.678 9.469 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.305 -0.808 11.300 1.00 0.00 C ATOM 0 H THR A 36 -4.917 -0.996 8.726 1.00 0.00 H new ATOM 0 HA THR A 36 -7.209 -2.595 9.445 1.00 0.00 H new ATOM 0 HB THR A 36 -8.086 -0.437 10.197 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.598 0.834 9.839 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.436 0.037 11.976 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.722 -1.706 11.757 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.242 -0.958 11.109 1.00 0.00 H new ATOM 610 N GLU A 37 -7.311 -0.552 6.865 1.00 0.00 N ATOM 611 CA GLU A 37 -8.073 -0.208 5.668 1.00 0.00 C ATOM 612 C GLU A 37 -9.380 0.489 6.037 1.00 0.00 C ATOM 613 O GLU A 37 -10.453 0.111 5.564 1.00 0.00 O ATOM 614 CB GLU A 37 -8.364 -1.464 4.844 1.00 0.00 C ATOM 615 CG GLU A 37 -7.143 -2.343 4.623 1.00 0.00 C ATOM 616 CD GLU A 37 -7.502 -3.804 4.440 1.00 0.00 C ATOM 617 OE1 GLU A 37 -8.476 -4.259 5.078 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.812 -4.493 3.661 1.00 0.00 O ATOM 0 H GLU A 37 -6.400 -0.097 6.930 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.473 0.478 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.135 -2.048 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.768 -1.168 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.602 -1.993 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.469 -2.242 5.473 1.00 0.00 H new ATOM 625 N GLN A 38 -9.283 1.506 6.887 1.00 0.00 N ATOM 626 CA GLN A 38 -10.461 2.253 7.322 1.00 0.00 C ATOM 627 C GLN A 38 -10.627 3.556 6.533 1.00 0.00 C ATOM 628 O GLN A 38 -11.632 3.747 5.851 1.00 0.00 O ATOM 629 CB GLN A 38 -10.396 2.554 8.825 1.00 0.00 C ATOM 630 CG GLN A 38 -9.331 1.764 9.575 1.00 0.00 C ATOM 631 CD GLN A 38 -9.675 1.563 11.037 1.00 0.00 C ATOM 632 OE1 GLN A 38 -10.204 0.520 11.425 1.00 0.00 O ATOM 633 NE2 GLN A 38 -9.378 2.564 11.859 1.00 0.00 N ATOM 0 H GLN A 38 -8.404 1.832 7.288 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.330 1.625 7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.207 3.619 8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.369 2.343 9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.203 0.792 9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.377 2.285 9.499 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.940 3.410 11.495 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.588 2.486 12.854 1.00 0.00 H new ATOM 642 N PRO A 39 -9.649 4.482 6.621 1.00 0.00 N ATOM 643 CA PRO A 39 -9.721 5.769 5.915 1.00 0.00 C ATOM 644 C PRO A 39 -9.728 5.615 4.392 1.00 0.00 C ATOM 645 O PRO A 39 -10.793 5.589 3.773 1.00 0.00 O ATOM 646 CB PRO A 39 -8.468 6.517 6.387 1.00 0.00 C ATOM 647 CG PRO A 39 -7.542 5.458 6.874 1.00 0.00 C ATOM 648 CD PRO A 39 -8.413 4.362 7.418 1.00 0.00 C ATOM 0 HA PRO A 39 -10.649 6.295 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.020 7.088 5.574 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.708 7.226 7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.911 5.089 6.065 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.877 5.846 7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.950 3.383 7.297 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.607 4.493 8.483 1.00 0.00 H new ATOM 656 N LEU A 40 -8.542 5.517 3.790 1.00 0.00 N ATOM 657 CA LEU A 40 -8.423 5.373 2.339 1.00 0.00 C ATOM 658 C LEU A 40 -9.298 6.388 1.605 1.00 0.00 C ATOM 659 O LEU A 40 -9.887 7.275 2.222 1.00 0.00 O ATOM 660 CB LEU A 40 -8.795 3.951 1.913 1.00 0.00 C ATOM 661 CG LEU A 40 -7.998 2.833 2.594 1.00 0.00 C ATOM 662 CD1 LEU A 40 -6.549 3.252 2.818 1.00 0.00 C ATOM 663 CD2 LEU A 40 -8.652 2.438 3.910 1.00 0.00 C ATOM 0 H LEU A 40 -7.650 5.535 4.285 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.385 5.566 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.855 3.794 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.660 3.866 0.835 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.998 1.966 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.006 2.440 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.083 3.478 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.520 4.137 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.073 1.643 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.686 3.302 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.666 2.085 3.721 1.00 0.00 H new ATOM 675 N ALA A 41 -9.375 6.253 0.285 1.00 0.00 N ATOM 676 CA ALA A 41 -10.174 7.160 -0.530 1.00 0.00 C ATOM 677 C ALA A 41 -11.464 6.488 -0.998 1.00 0.00 C ATOM 678 O ALA A 41 -11.488 5.287 -1.260 1.00 0.00 O ATOM 679 CB ALA A 41 -9.366 7.642 -1.725 1.00 0.00 C ATOM 0 H ALA A 41 -8.894 5.525 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.445 8.019 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.974 8.319 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.477 8.166 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.068 6.787 -2.331 1.00 0.00 H new ATOM 685 N PRO A 42 -12.560 7.261 -1.108 1.00 0.00 N ATOM 686 CA PRO A 42 -13.856 6.736 -1.545 1.00 0.00 C ATOM 687 C PRO A 42 -13.904 6.488 -3.049 1.00 0.00 C ATOM 688 O PRO A 42 -14.630 5.614 -3.521 1.00 0.00 O ATOM 689 CB PRO A 42 -14.828 7.849 -1.156 1.00 0.00 C ATOM 690 CG PRO A 42 -14.017 9.095 -1.222 1.00 0.00 C ATOM 691 CD PRO A 42 -12.620 8.707 -0.813 1.00 0.00 C ATOM 0 HA PRO A 42 -14.083 5.771 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.676 7.891 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.232 7.691 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.026 9.513 -2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.420 9.858 -0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.869 9.262 -1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.441 8.908 0.243 1.00 0.00 H new ATOM 699 N LYS A 43 -13.128 7.265 -3.797 1.00 0.00 N ATOM 700 CA LYS A 43 -13.085 7.132 -5.248 1.00 0.00 C ATOM 701 C LYS A 43 -12.256 5.919 -5.663 1.00 0.00 C ATOM 702 O LYS A 43 -12.479 5.336 -6.723 1.00 0.00 O ATOM 703 CB LYS A 43 -12.505 8.398 -5.882 1.00 0.00 C ATOM 704 CG LYS A 43 -11.145 8.791 -5.326 1.00 0.00 C ATOM 705 CD LYS A 43 -11.104 10.258 -4.930 1.00 0.00 C ATOM 706 CE LYS A 43 -9.850 10.587 -4.135 1.00 0.00 C ATOM 707 NZ LYS A 43 -9.737 12.045 -3.855 1.00 0.00 N ATOM 0 H LYS A 43 -12.520 7.993 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.106 6.990 -5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.418 8.248 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.202 9.222 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.914 8.173 -4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.375 8.594 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.141 10.879 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.986 10.500 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.862 10.036 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.972 10.254 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.869 12.228 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.700 12.569 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.562 12.358 -3.305 1.00 0.00 H new ATOM 721 N TYR A 44 -11.300 5.542 -4.820 1.00 0.00 N ATOM 722 CA TYR A 44 -10.439 4.399 -5.103 1.00 0.00 C ATOM 723 C TYR A 44 -10.827 3.199 -4.245 1.00 0.00 C ATOM 724 O TYR A 44 -11.085 2.112 -4.763 1.00 0.00 O ATOM 725 CB TYR A 44 -8.974 4.765 -4.858 1.00 0.00 C ATOM 726 CG TYR A 44 -8.544 6.039 -5.550 1.00 0.00 C ATOM 727 CD1 TYR A 44 -8.752 6.215 -6.913 1.00 0.00 C ATOM 728 CD2 TYR A 44 -7.928 7.064 -4.842 1.00 0.00 C ATOM 729 CE1 TYR A 44 -8.360 7.378 -7.549 1.00 0.00 C ATOM 730 CE2 TYR A 44 -7.534 8.228 -5.470 1.00 0.00 C ATOM 731 CZ TYR A 44 -7.752 8.381 -6.823 1.00 0.00 C ATOM 732 OH TYR A 44 -7.360 9.539 -7.453 1.00 0.00 O ATOM 0 H TYR A 44 -11.102 6.011 -3.936 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.568 4.129 -6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.809 4.870 -3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.342 3.945 -5.199 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.227 5.431 -7.484 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.755 6.948 -3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.529 7.501 -8.609 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.057 9.015 -4.905 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.173 10.229 -6.783 1.00 0.00 H new ATOM 742 N LYS A 45 -10.863 3.401 -2.932 1.00 0.00 N ATOM 743 CA LYS A 45 -11.217 2.335 -2.002 1.00 0.00 C ATOM 744 C LYS A 45 -10.202 1.197 -2.070 1.00 0.00 C ATOM 745 O LYS A 45 -9.634 0.920 -3.127 1.00 0.00 O ATOM 746 CB LYS A 45 -12.621 1.805 -2.308 1.00 0.00 C ATOM 747 CG LYS A 45 -13.657 2.194 -1.265 1.00 0.00 C ATOM 748 CD LYS A 45 -14.697 3.148 -1.835 1.00 0.00 C ATOM 749 CE LYS A 45 -16.032 2.455 -2.050 1.00 0.00 C ATOM 750 NZ LYS A 45 -17.117 3.426 -2.368 1.00 0.00 N ATOM 0 H LYS A 45 -10.651 4.294 -2.488 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.207 2.747 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.938 2.180 -3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.582 0.718 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.151 1.298 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.160 2.662 -0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.829 3.991 -1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.340 3.553 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.940 1.734 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.298 1.894 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.011 2.914 -2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.222 4.099 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.876 3.944 -3.237 1.00 0.00 H new ATOM 764 N ASP A 46 -9.977 0.544 -0.934 1.00 0.00 N ATOM 765 CA ASP A 46 -9.030 -0.563 -0.865 1.00 0.00 C ATOM 766 C ASP A 46 -9.705 -1.882 -1.225 1.00 0.00 C ATOM 767 O ASP A 46 -10.805 -2.177 -0.756 1.00 0.00 O ATOM 768 CB ASP A 46 -8.423 -0.655 0.536 1.00 0.00 C ATOM 769 CG ASP A 46 -7.261 -1.626 0.602 1.00 0.00 C ATOM 770 OD1 ASP A 46 -7.157 -2.490 -0.293 1.00 0.00 O ATOM 771 OD2 ASP A 46 -6.454 -1.524 1.550 1.00 0.00 O ATOM 0 H ASP A 46 -10.437 0.762 -0.050 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.236 -0.373 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.085 0.333 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.193 -0.966 1.242 1.00 0.00 H new ATOM 776 N HIS A 47 -9.040 -2.671 -2.063 1.00 0.00 N ATOM 777 CA HIS A 47 -9.574 -3.960 -2.486 1.00 0.00 C ATOM 778 C HIS A 47 -8.545 -4.731 -3.309 1.00 0.00 C ATOM 779 O HIS A 47 -7.578 -4.155 -3.807 1.00 0.00 O ATOM 780 CB HIS A 47 -10.857 -3.761 -3.301 1.00 0.00 C ATOM 781 CG HIS A 47 -12.090 -4.241 -2.601 1.00 0.00 C ATOM 782 ND1 HIS A 47 -13.241 -4.603 -3.270 1.00 0.00 N ATOM 783 CD2 HIS A 47 -12.349 -4.417 -1.284 1.00 0.00 C ATOM 784 CE1 HIS A 47 -14.154 -4.982 -2.393 1.00 0.00 C ATOM 785 NE2 HIS A 47 -13.639 -4.878 -1.183 1.00 0.00 N ATOM 0 H HIS A 47 -8.130 -2.440 -2.462 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.806 -4.542 -1.594 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.970 -2.702 -3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.760 -4.287 -4.251 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -11.669 -4.230 -0.466 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.153 -5.320 -2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -14.121 -5.104 -0.313 1.00 0.00 H new ATOM 794 N PRO A 48 -8.738 -6.053 -3.462 1.00 0.00 N ATOM 795 CA PRO A 48 -7.821 -6.901 -4.229 1.00 0.00 C ATOM 796 C PRO A 48 -7.854 -6.586 -5.721 1.00 0.00 C ATOM 797 O PRO A 48 -8.561 -5.679 -6.158 1.00 0.00 O ATOM 798 CB PRO A 48 -8.340 -8.318 -3.970 1.00 0.00 C ATOM 799 CG PRO A 48 -9.777 -8.139 -3.621 1.00 0.00 C ATOM 800 CD PRO A 48 -9.866 -6.822 -2.903 1.00 0.00 C ATOM 0 HA PRO A 48 -6.784 -6.753 -3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.223 -8.949 -4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.793 -8.798 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.399 -8.139 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.130 -8.953 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.820 -6.328 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.773 -6.945 -1.824 1.00 0.00 H new ATOM 904 N ASP A 55 -3.805 -12.510 -2.134 1.00 0.00 N ATOM 905 CA ASP A 55 -2.693 -12.033 -1.320 1.00 0.00 C ATOM 906 C ASP A 55 -2.297 -10.615 -1.721 1.00 0.00 C ATOM 907 O ASP A 55 -1.845 -9.828 -0.891 1.00 0.00 O ATOM 908 CB ASP A 55 -1.492 -12.970 -1.462 1.00 0.00 C ATOM 909 CG ASP A 55 -1.438 -14.010 -0.358 1.00 0.00 C ATOM 910 OD1 ASP A 55 -2.491 -14.277 0.257 1.00 0.00 O ATOM 911 OD2 ASP A 55 -0.342 -14.555 -0.110 1.00 0.00 O ATOM 0 HA ASP A 55 -3.014 -12.021 -0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.538 -13.472 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.573 -12.384 -1.451 1.00 0.00 H new ATOM 916 N PHE A 56 -2.472 -10.297 -3.000 1.00 0.00 N ATOM 917 CA PHE A 56 -2.135 -8.975 -3.513 1.00 0.00 C ATOM 918 C PHE A 56 -3.329 -8.032 -3.409 1.00 0.00 C ATOM 919 O PHE A 56 -4.461 -8.413 -3.706 1.00 0.00 O ATOM 920 CB PHE A 56 -1.673 -9.073 -4.967 1.00 0.00 C ATOM 921 CG PHE A 56 -0.184 -9.214 -5.115 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.431 -10.441 -4.929 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.600 -8.119 -5.441 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.799 -10.574 -5.065 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.969 -8.245 -5.577 1.00 0.00 C ATOM 926 CZ PHE A 56 2.570 -9.474 -5.390 1.00 0.00 C ATOM 0 H PHE A 56 -2.846 -10.938 -3.700 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.323 -8.573 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.159 -9.927 -5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.001 -8.183 -5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.166 -11.304 -4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.135 -7.156 -5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.266 -11.537 -4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.569 -7.383 -5.829 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.640 -9.575 -5.497 1.00 0.00 H new ATOM 936 N ARG A 57 -3.067 -6.800 -2.986 1.00 0.00 N ATOM 937 CA ARG A 57 -4.118 -5.801 -2.842 1.00 0.00 C ATOM 938 C ARG A 57 -3.549 -4.392 -2.969 1.00 0.00 C ATOM 939 O ARG A 57 -2.400 -4.142 -2.603 1.00 0.00 O ATOM 940 CB ARG A 57 -4.823 -5.960 -1.494 1.00 0.00 C ATOM 941 CG ARG A 57 -5.419 -7.341 -1.278 1.00 0.00 C ATOM 942 CD ARG A 57 -6.427 -7.343 -0.139 1.00 0.00 C ATOM 943 NE ARG A 57 -6.300 -8.531 0.702 1.00 0.00 N ATOM 944 CZ ARG A 57 -6.812 -8.631 1.927 1.00 0.00 C ATOM 945 NH1 ARG A 57 -7.486 -7.617 2.456 1.00 0.00 N ATOM 946 NH2 ARG A 57 -6.652 -9.747 2.622 1.00 0.00 N ATOM 0 H ARG A 57 -2.135 -6.470 -2.737 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.843 -5.955 -3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.112 -5.751 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.615 -5.216 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.904 -7.676 -2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.622 -8.052 -1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.287 -6.450 0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.436 -7.294 -0.548 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.789 -9.331 0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.614 -6.756 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.876 -7.699 3.395 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.137 -10.529 2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.044 -9.824 3.560 1.00 0.00 H new ATOM 960 N GLU A 58 -4.358 -3.476 -3.490 1.00 0.00 N ATOM 961 CA GLU A 58 -3.934 -2.092 -3.666 1.00 0.00 C ATOM 962 C GLU A 58 -4.802 -1.145 -2.845 1.00 0.00 C ATOM 963 O GLU A 58 -5.978 -1.416 -2.606 1.00 0.00 O ATOM 964 CB GLU A 58 -3.991 -1.703 -5.144 1.00 0.00 C ATOM 965 CG GLU A 58 -3.295 -0.388 -5.455 1.00 0.00 C ATOM 966 CD GLU A 58 -3.458 0.029 -6.904 1.00 0.00 C ATOM 967 OE1 GLU A 58 -2.641 -0.405 -7.741 1.00 0.00 O ATOM 968 OE2 GLU A 58 -4.401 0.793 -7.198 1.00 0.00 O ATOM 0 H GLU A 58 -5.311 -3.667 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.906 -2.008 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.534 -2.495 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.034 -1.634 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.696 0.393 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.234 -0.479 -5.224 1.00 0.00 H new ATOM 975 N CYS A 59 -4.212 -0.034 -2.418 1.00 0.00 N ATOM 976 CA CYS A 59 -4.929 0.957 -1.624 1.00 0.00 C ATOM 977 C CYS A 59 -4.401 2.361 -1.902 1.00 0.00 C ATOM 978 O CYS A 59 -3.234 2.538 -2.249 1.00 0.00 O ATOM 979 CB CYS A 59 -4.803 0.635 -0.133 1.00 0.00 C ATOM 980 SG CYS A 59 -3.108 0.711 0.495 1.00 0.00 S ATOM 0 H CYS A 59 -3.238 0.203 -2.609 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.981 0.922 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.421 1.333 0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.202 -0.363 0.048 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.313 0.090 -0.325 1.00 0.00 H new ATOM 986 N HIS A 60 -5.269 3.355 -1.746 1.00 0.00 N ATOM 987 CA HIS A 60 -4.889 4.744 -1.981 1.00 0.00 C ATOM 988 C HIS A 60 -4.782 5.508 -0.667 1.00 0.00 C ATOM 989 O HIS A 60 -5.767 6.057 -0.173 1.00 0.00 O ATOM 990 CB HIS A 60 -5.907 5.423 -2.900 1.00 0.00 C ATOM 991 CG HIS A 60 -5.690 5.133 -4.352 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.246 6.079 -5.252 1.00 0.00 N ATOM 993 CD2 HIS A 60 -5.855 3.991 -5.062 1.00 0.00 C ATOM 994 CE1 HIS A 60 -5.152 5.534 -6.452 1.00 0.00 C ATOM 995 NE2 HIS A 60 -5.514 4.267 -6.363 1.00 0.00 N ATOM 0 H HIS A 60 -6.239 3.225 -1.458 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.912 4.752 -2.464 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.909 5.100 -2.619 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.864 6.501 -2.743 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.025 7.049 -5.026 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.192 3.040 -4.676 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.833 6.039 -7.352 1.00 0.00 H new ATOM 1004 N LEU A 61 -3.576 5.543 -0.104 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.338 6.241 1.153 1.00 0.00 C ATOM 1006 C LEU A 61 -3.484 7.749 0.971 1.00 0.00 C ATOM 1007 O LEU A 61 -3.877 8.461 1.896 1.00 0.00 O ATOM 1008 CB LEU A 61 -1.944 5.912 1.688 1.00 0.00 C ATOM 1009 CG LEU A 61 -0.792 6.234 0.734 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.336 7.675 0.911 1.00 0.00 C ATOM 1011 CD2 LEU A 61 0.367 5.273 0.959 1.00 0.00 C ATOM 0 H LEU A 61 -2.750 5.095 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.083 5.905 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.790 6.460 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.907 4.851 1.933 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.147 6.113 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.484 7.884 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.167 8.348 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.002 7.826 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.179 5.515 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.721 5.364 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.033 4.251 0.779 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.161 8.230 -0.225 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.253 9.652 -0.529 1.00 0.00 C ATOM 1025 C LYS A 62 -3.793 9.866 -1.942 1.00 0.00 C ATOM 1026 O LYS A 62 -3.425 9.142 -2.868 1.00 0.00 O ATOM 1027 CB LYS A 62 -1.879 10.312 -0.388 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.939 11.822 -0.218 1.00 0.00 C ATOM 1029 CD LYS A 62 -2.622 12.210 1.084 1.00 0.00 C ATOM 1030 CE LYS A 62 -2.666 13.719 1.260 1.00 0.00 C ATOM 1031 NZ LYS A 62 -3.731 14.135 2.213 1.00 0.00 N ATOM 0 H LYS A 62 -2.833 7.654 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.942 10.111 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.364 9.879 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.282 10.078 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.929 12.232 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.477 12.263 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.636 11.811 1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.091 11.760 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.699 14.071 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.838 14.193 0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.729 15.171 2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.657 13.821 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.553 13.704 3.142 1.00 0.00 H new ATOM 1045 N PRO A 63 -4.677 10.864 -2.133 1.00 0.00 N ATOM 1046 CA PRO A 63 -5.260 11.161 -3.444 1.00 0.00 C ATOM 1047 C PRO A 63 -4.225 11.122 -4.563 1.00 0.00 C ATOM 1048 O PRO A 63 -3.137 11.687 -4.438 1.00 0.00 O ATOM 1049 CB PRO A 63 -5.805 12.575 -3.261 1.00 0.00 C ATOM 1050 CG PRO A 63 -6.169 12.650 -1.819 1.00 0.00 C ATOM 1051 CD PRO A 63 -5.177 11.782 -1.087 1.00 0.00 C ATOM 0 HA PRO A 63 -6.013 10.430 -3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.058 13.325 -3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.671 12.752 -3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.125 13.678 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.188 12.298 -1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.370 12.373 -0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.648 11.238 -0.268 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.567 10.444 -5.655 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.666 10.322 -6.796 1.00 0.00 C ATOM 1061 C ASP A 64 -2.427 9.512 -6.424 1.00 0.00 C ATOM 1062 O ASP A 64 -1.366 9.668 -7.031 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.256 11.707 -7.305 1.00 0.00 C ATOM 1064 CG ASP A 64 -4.051 12.132 -8.524 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -5.292 11.997 -8.500 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -3.431 12.599 -9.503 1.00 0.00 O ATOM 0 H ASP A 64 -5.463 9.970 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.196 9.798 -7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.395 12.439 -6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.194 11.701 -7.551 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.567 8.646 -5.424 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.460 7.811 -4.973 1.00 0.00 C ATOM 1073 C LEU A 65 -1.966 6.447 -4.511 1.00 0.00 C ATOM 1074 O LEU A 65 -2.769 6.354 -3.583 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.701 8.502 -3.836 1.00 0.00 C ATOM 1076 CG LEU A 65 0.752 8.868 -4.157 1.00 0.00 C ATOM 1077 CD1 LEU A 65 0.950 10.375 -4.099 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.705 8.168 -3.200 1.00 0.00 C ATOM 0 H LEU A 65 -3.437 8.505 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.781 7.662 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.237 9.411 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.711 7.849 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 65 0.973 8.531 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.988 10.615 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.296 10.856 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.708 10.736 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.732 8.441 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.482 8.472 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.585 7.089 -3.292 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.489 5.391 -5.162 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.896 4.033 -4.813 1.00 0.00 C ATOM 1092 C LEU A 66 -0.820 3.346 -3.977 1.00 0.00 C ATOM 1093 O LEU A 66 0.209 3.943 -3.659 1.00 0.00 O ATOM 1094 CB LEU A 66 -2.187 3.202 -6.072 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.979 3.918 -7.410 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.544 3.751 -7.883 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.950 3.386 -8.453 1.00 0.00 C ATOM 0 H LEU A 66 -0.822 5.448 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.811 4.103 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.552 2.316 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.219 2.855 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.174 4.981 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.412 4.265 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.135 4.177 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.324 2.691 -8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.789 3.905 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.784 2.318 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.973 3.553 -8.117 1.00 0.00 H new ATOM 1109 N LEU A 67 -1.063 2.087 -3.628 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.114 1.319 -2.832 1.00 0.00 C ATOM 1111 C LEU A 67 -0.480 -0.161 -2.820 1.00 0.00 C ATOM 1112 O LEU A 67 -1.403 -0.579 -2.122 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.066 1.850 -1.398 1.00 0.00 C ATOM 1114 CG LEU A 67 1.105 1.338 -0.555 1.00 0.00 C ATOM 1115 CD1 LEU A 67 1.296 2.207 0.677 1.00 0.00 C ATOM 1116 CD2 LEU A 67 0.882 -0.114 -0.158 1.00 0.00 C ATOM 0 H LEU A 67 -1.909 1.578 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 67 0.870 1.430 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.021 2.939 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.997 1.585 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 67 2.012 1.393 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.133 1.828 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.503 3.232 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.389 2.185 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.724 -0.461 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.035 -0.195 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.797 -0.728 -1.055 1.00 0.00 H new ATOM 1128 N VAL A 68 0.255 -0.951 -3.596 1.00 0.00 N ATOM 1129 CA VAL A 68 0.017 -2.386 -3.671 1.00 0.00 C ATOM 1130 C VAL A 68 0.931 -3.131 -2.705 1.00 0.00 C ATOM 1131 O VAL A 68 2.104 -2.792 -2.568 1.00 0.00 O ATOM 1132 CB VAL A 68 0.245 -2.922 -5.096 1.00 0.00 C ATOM 1133 CG1 VAL A 68 -0.170 -4.382 -5.191 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -0.512 -2.079 -6.111 1.00 0.00 C ATOM 0 H VAL A 68 1.021 -0.620 -4.182 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.024 -2.555 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 68 1.309 -2.855 -5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.001 -4.743 -6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.421 -4.974 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.227 -4.477 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.339 -2.473 -7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.578 -2.111 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.162 -1.048 -6.061 1.00 0.00 H new ATOM 1144 N TYR A 69 0.389 -4.140 -2.032 1.00 0.00 N ATOM 1145 CA TYR A 69 1.168 -4.919 -1.079 1.00 0.00 C ATOM 1146 C TYR A 69 0.699 -6.369 -1.034 1.00 0.00 C ATOM 1147 O TYR A 69 -0.409 -6.688 -1.467 1.00 0.00 O ATOM 1148 CB TYR A 69 1.070 -4.299 0.316 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.348 -4.125 0.807 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.143 -5.226 1.102 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.893 -2.857 0.975 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.441 -5.068 1.549 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.190 -2.692 1.423 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.960 -3.801 1.710 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.251 -3.640 2.156 1.00 0.00 O ATOM 0 H TYR A 69 -0.582 -4.436 -2.129 1.00 0.00 H new ATOM 0 HA TYR A 69 2.207 -4.906 -1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.615 -4.927 1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.563 -3.327 0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.740 -6.221 0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.293 -1.987 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.047 -5.934 1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.599 -1.700 1.548 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.650 -2.854 1.727 1.00 0.00 H new ATOM 1165 N GLN A 70 1.549 -7.238 -0.500 1.00 0.00 N ATOM 1166 CA GLN A 70 1.229 -8.655 -0.387 1.00 0.00 C ATOM 1167 C GLN A 70 1.456 -9.140 1.041 1.00 0.00 C ATOM 1168 O GLN A 70 2.567 -9.055 1.567 1.00 0.00 O ATOM 1169 CB GLN A 70 2.081 -9.473 -1.359 1.00 0.00 C ATOM 1170 CG GLN A 70 1.606 -10.908 -1.525 1.00 0.00 C ATOM 1171 CD GLN A 70 2.712 -11.920 -1.295 1.00 0.00 C ATOM 1172 OE1 GLN A 70 3.894 -11.575 -1.285 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.331 -13.179 -1.111 1.00 0.00 N ATOM 0 H GLN A 70 2.468 -6.985 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 70 0.178 -8.791 -0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.078 -8.983 -2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.113 -9.479 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.792 -11.100 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.202 -11.039 -2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.340 -13.419 -1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.030 -13.905 -0.953 1.00 0.00 H new ATOM 1182 N ILE A 71 0.397 -9.640 1.668 1.00 0.00 N ATOM 1183 CA ILE A 71 0.484 -10.128 3.039 1.00 0.00 C ATOM 1184 C ILE A 71 0.969 -11.572 3.085 1.00 0.00 C ATOM 1185 O ILE A 71 0.596 -12.392 2.244 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.879 -10.039 3.760 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -1.613 -8.746 3.387 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.685 -10.130 5.266 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.719 -7.524 3.335 1.00 0.00 C ATOM 0 H ILE A 71 -0.530 -9.718 1.250 1.00 0.00 H new ATOM 0 HA ILE A 71 1.203 -9.488 3.550 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.494 -10.879 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.088 -8.877 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.409 -8.571 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.653 -10.066 5.762 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.212 -11.080 5.515 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.051 -9.310 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.312 -6.650 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.263 -7.365 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.063 -7.676 2.591 1.00 0.00 H new ATOM 1201 N LYS A 72 1.800 -11.874 4.075 1.00 0.00 N ATOM 1202 CA LYS A 72 2.338 -13.219 4.241 1.00 0.00 C ATOM 1203 C LYS A 72 2.096 -13.725 5.659 1.00 0.00 C ATOM 1204 O LYS A 72 2.942 -13.563 6.539 1.00 0.00 O ATOM 1205 CB LYS A 72 3.835 -13.237 3.927 1.00 0.00 C ATOM 1206 CG LYS A 72 4.613 -12.125 4.615 1.00 0.00 C ATOM 1207 CD LYS A 72 5.252 -11.179 3.608 1.00 0.00 C ATOM 1208 CE LYS A 72 6.758 -11.375 3.531 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.216 -11.626 2.137 1.00 0.00 N ATOM 0 H LYS A 72 2.117 -11.204 4.776 1.00 0.00 H new ATOM 0 HA LYS A 72 1.823 -13.880 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.250 -14.199 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.973 -13.153 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.945 -11.564 5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.387 -12.560 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.813 -11.344 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.033 -10.148 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.259 -10.491 3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.048 -12.213 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.248 -11.754 2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.757 -12.484 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.963 -10.815 1.537 1.00 0.00 H new ATOM 1223 N LYS A 73 0.934 -14.335 5.873 1.00 0.00 N ATOM 1224 CA LYS A 73 0.576 -14.866 7.182 1.00 0.00 C ATOM 1225 C LYS A 73 1.622 -15.859 7.681 1.00 0.00 C ATOM 1226 O LYS A 73 1.737 -16.101 8.883 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.796 -15.540 7.123 1.00 0.00 C ATOM 1228 CG LYS A 73 -0.969 -16.459 5.925 1.00 0.00 C ATOM 1229 CD LYS A 73 -2.190 -17.352 6.080 1.00 0.00 C ATOM 1230 CE LYS A 73 -2.301 -18.346 4.935 1.00 0.00 C ATOM 1231 NZ LYS A 73 -3.593 -19.087 4.966 1.00 0.00 N ATOM 0 H LYS A 73 0.224 -14.473 5.154 1.00 0.00 H new ATOM 0 HA LYS A 73 0.537 -14.032 7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.949 -16.114 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.569 -14.772 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.066 -15.862 5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.078 -17.076 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.131 -17.890 7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.089 -16.737 6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.208 -17.818 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.475 -19.055 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.630 -19.755 4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.671 -19.611 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.382 -18.413 4.890 1.00 0.00 H new ATOM 1245 N GLN A 74 2.384 -16.434 6.754 1.00 0.00 N ATOM 1246 CA GLN A 74 3.420 -17.402 7.103 1.00 0.00 C ATOM 1247 C GLN A 74 4.321 -16.867 8.210 1.00 0.00 C ATOM 1248 O GLN A 74 4.819 -17.626 9.042 1.00 0.00 O ATOM 1249 CB GLN A 74 4.257 -17.749 5.870 1.00 0.00 C ATOM 1250 CG GLN A 74 5.279 -18.847 6.119 1.00 0.00 C ATOM 1251 CD GLN A 74 4.640 -20.214 6.271 1.00 0.00 C ATOM 1252 OE1 GLN A 74 4.673 -20.810 7.348 1.00 0.00 O ATOM 1253 NE2 GLN A 74 4.055 -20.718 5.191 1.00 0.00 N ATOM 0 H GLN A 74 2.303 -16.246 5.755 1.00 0.00 H new ATOM 0 HA GLN A 74 2.929 -18.304 7.468 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.591 -18.059 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.775 -16.853 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.989 -18.872 5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.846 -18.613 7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.052 -20.189 4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.609 -21.634 5.233 1.00 0.00 H new ATOM 1262 N GLU A 75 4.526 -15.553 8.216 1.00 0.00 N ATOM 1263 CA GLU A 75 5.367 -14.917 9.223 1.00 0.00 C ATOM 1264 C GLU A 75 4.802 -13.557 9.636 1.00 0.00 C ATOM 1265 O GLU A 75 5.505 -12.742 10.235 1.00 0.00 O ATOM 1266 CB GLU A 75 6.793 -14.747 8.695 1.00 0.00 C ATOM 1267 CG GLU A 75 6.858 -14.301 7.242 1.00 0.00 C ATOM 1268 CD GLU A 75 8.261 -14.369 6.674 1.00 0.00 C ATOM 1269 OE1 GLU A 75 8.692 -15.476 6.285 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.930 -13.316 6.617 1.00 0.00 O ATOM 0 H GLU A 75 4.122 -14.909 7.536 1.00 0.00 H new ATOM 0 HA GLU A 75 5.383 -15.563 10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.315 -14.017 9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.325 -15.693 8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.197 -14.928 6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.487 -13.279 7.162 1.00 0.00 H new ATOM 1277 N ASN A 76 3.532 -13.318 9.317 1.00 0.00 N ATOM 1278 CA ASN A 76 2.876 -12.058 9.659 1.00 0.00 C ATOM 1279 C ASN A 76 3.748 -10.861 9.284 1.00 0.00 C ATOM 1280 O ASN A 76 4.251 -10.149 10.154 1.00 0.00 O ATOM 1281 CB ASN A 76 2.547 -12.023 11.154 1.00 0.00 C ATOM 1282 CG ASN A 76 1.081 -12.304 11.428 1.00 0.00 C ATOM 1283 OD1 ASN A 76 0.416 -12.998 10.660 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.572 -11.763 12.528 1.00 0.00 N ATOM 0 H ASN A 76 2.936 -13.981 8.822 1.00 0.00 H new ATOM 0 HA ASN A 76 1.950 -11.994 9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.159 -12.758 11.676 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.809 -11.045 11.559 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.408 -11.916 12.765 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.161 -11.194 13.136 1.00 0.00 H new ATOM 1291 N THR A 77 3.925 -10.645 7.985 1.00 0.00 N ATOM 1292 CA THR A 77 4.737 -9.536 7.501 1.00 0.00 C ATOM 1293 C THR A 77 4.020 -8.783 6.382 1.00 0.00 C ATOM 1294 O THR A 77 3.442 -9.391 5.481 1.00 0.00 O ATOM 1295 CB THR A 77 6.091 -10.048 7.005 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.816 -10.650 8.062 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.963 -8.963 6.409 1.00 0.00 C ATOM 0 H THR A 77 3.517 -11.223 7.250 1.00 0.00 H new ATOM 0 HA THR A 77 4.899 -8.847 8.330 1.00 0.00 H new ATOM 0 HB THR A 77 5.857 -10.771 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.106 -9.960 8.694 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.907 -9.396 6.078 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.452 -8.512 5.558 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.158 -8.199 7.161 1.00 0.00 H new ATOM 1305 N LEU A 78 4.067 -7.455 6.446 1.00 0.00 N ATOM 1306 CA LEU A 78 3.427 -6.617 5.439 1.00 0.00 C ATOM 1307 C LEU A 78 4.427 -6.209 4.361 1.00 0.00 C ATOM 1308 O LEU A 78 5.126 -5.205 4.496 1.00 0.00 O ATOM 1309 CB LEU A 78 2.824 -5.371 6.090 1.00 0.00 C ATOM 1310 CG LEU A 78 2.110 -4.418 5.130 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.060 -5.162 4.320 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.475 -3.268 5.899 1.00 0.00 C ATOM 0 H LEU A 78 4.542 -6.937 7.185 1.00 0.00 H new ATOM 0 HA LEU A 78 2.629 -7.195 4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.117 -5.687 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.619 -4.824 6.596 1.00 0.00 H new ATOM 0 HG LEU A 78 2.847 -4.008 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.563 -4.467 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.539 -5.952 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.324 -5.601 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.971 -2.599 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.751 -3.663 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.248 -2.718 6.435 1.00 0.00 H new ATOM 1324 N PHE A 79 4.493 -6.999 3.295 1.00 0.00 N ATOM 1325 CA PHE A 79 5.411 -6.727 2.195 1.00 0.00 C ATOM 1326 C PHE A 79 4.751 -5.842 1.138 1.00 0.00 C ATOM 1327 O PHE A 79 3.781 -6.243 0.497 1.00 0.00 O ATOM 1328 CB PHE A 79 5.884 -8.045 1.568 1.00 0.00 C ATOM 1329 CG PHE A 79 6.595 -7.884 0.250 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.429 -6.800 0.020 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.426 -8.820 -0.758 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.080 -6.653 -1.189 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.076 -8.678 -1.969 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.904 -7.595 -2.186 1.00 0.00 C ATOM 0 H PHE A 79 3.921 -7.834 3.169 1.00 0.00 H new ATOM 0 HA PHE A 79 6.274 -6.192 2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.551 -8.548 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.022 -8.696 1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.571 -6.062 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.779 -9.670 -0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.726 -5.803 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.936 -9.415 -2.746 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.413 -7.484 -3.132 1.00 0.00 H new ATOM 1344 N LEU A 80 5.289 -4.638 0.965 1.00 0.00 N ATOM 1345 CA LEU A 80 4.759 -3.697 -0.014 1.00 0.00 C ATOM 1346 C LEU A 80 5.116 -4.133 -1.430 1.00 0.00 C ATOM 1347 O LEU A 80 5.890 -5.069 -1.625 1.00 0.00 O ATOM 1348 CB LEU A 80 5.302 -2.292 0.257 1.00 0.00 C ATOM 1349 CG LEU A 80 5.210 -1.831 1.712 1.00 0.00 C ATOM 1350 CD1 LEU A 80 5.820 -0.449 1.874 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.763 -1.836 2.181 1.00 0.00 C ATOM 0 H LEU A 80 6.092 -4.292 1.491 1.00 0.00 H new ATOM 0 HA LEU A 80 3.673 -3.681 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.346 -2.257 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.759 -1.583 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 80 5.775 -2.528 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.745 -0.138 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.869 -0.477 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.284 0.261 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.716 -1.505 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.176 -1.161 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.359 -2.845 2.103 1.00 0.00 H new ATOM 1363 N VAL A 81 4.543 -3.454 -2.419 1.00 0.00 N ATOM 1364 CA VAL A 81 4.800 -3.779 -3.818 1.00 0.00 C ATOM 1365 C VAL A 81 5.090 -2.522 -4.635 1.00 0.00 C ATOM 1366 O VAL A 81 6.218 -2.301 -5.071 1.00 0.00 O ATOM 1367 CB VAL A 81 3.607 -4.530 -4.448 1.00 0.00 C ATOM 1368 CG1 VAL A 81 3.890 -4.879 -5.904 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.279 -5.782 -3.647 1.00 0.00 C ATOM 0 H VAL A 81 3.898 -2.676 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 81 5.677 -4.426 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 81 2.740 -3.870 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.034 -5.407 -6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.065 -3.964 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.773 -5.516 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.436 -6.297 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.145 -6.443 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.021 -5.503 -2.625 1.00 0.00 H new ATOM 1379 N ARG A 82 4.062 -1.705 -4.845 1.00 0.00 N ATOM 1380 CA ARG A 82 4.208 -0.474 -5.614 1.00 0.00 C ATOM 1381 C ARG A 82 3.886 0.748 -4.761 1.00 0.00 C ATOM 1382 O ARG A 82 3.479 0.622 -3.606 1.00 0.00 O ATOM 1383 CB ARG A 82 3.297 -0.506 -6.842 1.00 0.00 C ATOM 1384 CG ARG A 82 3.839 0.284 -8.023 1.00 0.00 C ATOM 1385 CD ARG A 82 3.426 -0.341 -9.347 1.00 0.00 C ATOM 1386 NE ARG A 82 3.046 0.668 -10.334 1.00 0.00 N ATOM 1387 CZ ARG A 82 2.326 0.407 -11.422 1.00 0.00 C ATOM 1388 NH1 ARG A 82 1.904 -0.828 -11.666 1.00 0.00 N ATOM 1389 NH2 ARG A 82 2.023 1.382 -12.267 1.00 0.00 N ATOM 0 H ARG A 82 3.119 -1.873 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 82 5.246 -0.402 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.148 -1.542 -7.146 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.319 -0.110 -6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.474 1.310 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.926 0.329 -7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.249 -0.939 -9.738 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.589 -1.020 -9.182 1.00 0.00 H new ATOM 0 HE ARG A 82 3.351 1.629 -10.180 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.131 -1.582 -11.018 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.352 -1.023 -12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.342 2.333 -12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.471 1.181 -13.101 1.00 0.00 H new ATOM 1403 N LEU A 83 4.071 1.933 -5.338 1.00 0.00 N ATOM 1404 CA LEU A 83 3.800 3.178 -4.629 1.00 0.00 C ATOM 1405 C LEU A 83 3.939 4.376 -5.563 1.00 0.00 C ATOM 1406 O LEU A 83 5.024 4.942 -5.705 1.00 0.00 O ATOM 1407 CB LEU A 83 4.753 3.330 -3.442 1.00 0.00 C ATOM 1408 CG LEU A 83 4.249 4.232 -2.313 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.898 5.612 -2.847 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.047 3.601 -1.625 1.00 0.00 C ATOM 0 H LEU A 83 4.407 2.056 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 83 2.774 3.143 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.957 2.341 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.701 3.726 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 83 5.046 4.343 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.542 6.239 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.783 6.066 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.117 5.522 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.701 4.255 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.246 3.459 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.332 2.636 -1.207 1.00 0.00 H new ATOM 1422 N GLY A 84 2.836 4.763 -6.194 1.00 0.00 N ATOM 1423 CA GLY A 84 2.860 5.895 -7.102 1.00 0.00 C ATOM 1424 C GLY A 84 1.832 5.780 -8.209 1.00 0.00 C ATOM 1425 O GLY A 84 1.768 4.767 -8.906 1.00 0.00 O ATOM 0 H GLY A 84 1.926 4.313 -6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.680 6.811 -6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.853 5.981 -7.542 1.00 0.00 H new ATOM 1429 N SER A 85 1.025 6.825 -8.372 1.00 0.00 N ATOM 1430 CA SER A 85 -0.009 6.847 -9.402 1.00 0.00 C ATOM 1431 C SER A 85 0.581 6.560 -10.780 1.00 0.00 C ATOM 1432 O SER A 85 1.765 6.796 -11.021 1.00 0.00 O ATOM 1433 CB SER A 85 -0.721 8.202 -9.408 1.00 0.00 C ATOM 1434 OG SER A 85 -2.046 8.083 -8.917 1.00 0.00 O ATOM 0 H SER A 85 1.068 7.670 -7.802 1.00 0.00 H new ATOM 0 HA SER A 85 -0.732 6.064 -9.171 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.165 8.912 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.740 8.602 -10.422 1.00 0.00 H new ATOM 0 HG SER A 85 -2.530 8.920 -9.076 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.254 6.051 -11.680 1.00 0.00 N ATOM 1441 CA HIS A 86 0.181 5.732 -13.034 1.00 0.00 C ATOM 1442 C HIS A 86 0.541 7.000 -13.803 1.00 0.00 C ATOM 1443 O HIS A 86 1.445 6.994 -14.639 1.00 0.00 O ATOM 1444 CB HIS A 86 -0.915 4.962 -13.774 1.00 0.00 C ATOM 1445 CG HIS A 86 -0.413 3.743 -14.485 1.00 0.00 C ATOM 1446 ND1 HIS A 86 0.172 3.787 -15.734 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -0.408 2.441 -14.116 1.00 0.00 C ATOM 1448 CE1 HIS A 86 0.512 2.566 -16.103 1.00 0.00 C ATOM 1449 NE2 HIS A 86 0.172 1.730 -15.139 1.00 0.00 N ATOM 0 H HIS A 86 -1.237 5.851 -11.495 1.00 0.00 H new ATOM 0 HA HIS A 86 1.071 5.107 -12.967 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.685 4.666 -13.061 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.389 5.625 -14.497 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -0.789 2.036 -13.190 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.987 2.297 -17.035 1.00 0.00 H new ATOM 0 HE2 HIS A 86 0.316 0.720 -15.152 1.00 0.00 H new ATOM 1458 N SER A 87 -0.171 8.084 -13.514 1.00 0.00 N ATOM 1459 CA SER A 87 0.074 9.358 -14.179 1.00 0.00 C ATOM 1460 C SER A 87 1.339 10.018 -13.640 1.00 0.00 C ATOM 1461 O SER A 87 2.047 10.711 -14.368 1.00 0.00 O ATOM 1462 CB SER A 87 -1.121 10.293 -13.991 1.00 0.00 C ATOM 1463 OG SER A 87 -1.815 10.001 -12.790 1.00 0.00 O ATOM 0 H SER A 87 -0.922 8.106 -12.824 1.00 0.00 H new ATOM 0 HA SER A 87 0.211 9.164 -15.243 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.778 11.327 -13.974 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.799 10.196 -14.839 1.00 0.00 H new ATOM 0 HG SER A 87 -2.573 10.614 -12.693 1.00 0.00 H new ATOM 1469 N GLU A 88 1.617 9.794 -12.358 1.00 0.00 N ATOM 1470 CA GLU A 88 2.797 10.366 -11.722 1.00 0.00 C ATOM 1471 C GLU A 88 4.072 9.761 -12.297 1.00 0.00 C ATOM 1472 O GLU A 88 5.008 10.479 -12.652 1.00 0.00 O ATOM 1473 CB GLU A 88 2.747 10.136 -10.210 1.00 0.00 C ATOM 1474 CG GLU A 88 3.297 11.298 -9.400 1.00 0.00 C ATOM 1475 CD GLU A 88 2.465 11.597 -8.169 1.00 0.00 C ATOM 1476 OE1 GLU A 88 1.239 11.364 -8.210 1.00 0.00 O ATOM 1477 OE2 GLU A 88 3.038 12.067 -7.164 1.00 0.00 O ATOM 0 H GLU A 88 1.041 9.221 -11.741 1.00 0.00 H new ATOM 0 HA GLU A 88 2.803 11.438 -11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.714 9.953 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.312 9.236 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.319 11.073 -9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.340 12.187 -10.030 1.00 0.00 H new ATOM 1484 N LEU A 89 4.104 8.436 -12.389 1.00 0.00 N ATOM 1485 CA LEU A 89 5.265 7.732 -12.922 1.00 0.00 C ATOM 1486 C LEU A 89 5.489 8.088 -14.388 1.00 0.00 C ATOM 1487 O LEU A 89 6.626 8.246 -14.832 1.00 0.00 O ATOM 1488 CB LEU A 89 5.084 6.220 -12.772 1.00 0.00 C ATOM 1489 CG LEU A 89 5.474 5.655 -11.405 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.287 5.692 -10.454 1.00 0.00 C ATOM 1491 CD2 LEU A 89 6.003 4.237 -11.547 1.00 0.00 C ATOM 0 H LEU A 89 3.338 7.827 -12.101 1.00 0.00 H new ATOM 0 HA LEU A 89 6.141 8.043 -12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.040 5.973 -12.966 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.677 5.720 -13.538 1.00 0.00 H new ATOM 0 HG LEU A 89 6.266 6.277 -10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.583 5.286 -9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.953 6.722 -10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.473 5.094 -10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.276 3.850 -10.565 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.232 3.603 -11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.881 4.239 -12.193 1.00 0.00 H new