USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 680 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 55 SER OG : rot 180:sc= -0.232 USER MOD Set 1.2: A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= 0.213 (180deg=0.0468) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -111:sc= -0.802! USER MOD Single : A 9 SER OG : rot -30:sc= 1.9! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -16! C(o=-16!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= -0.505 X(o=-0.51,f=-0.092) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 71:sc= 0.773 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.6! USER MOD Single : A 58 THR OG1 : rot 178:sc= -4.57! USER MOD Single : A 59 SER OG : rot 180:sc= -0.293 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -108:sc= 0.428 USER MOD Single : A 72 ASN : amide:sc= -0.573 K(o=-0.57,f=-5.9!) USER MOD Single : A 73 TYR OH : rot -30:sc= -6.94! USER MOD Single : A 74 LYS NZ :NH3+ -163:sc= -1.19 (180deg=-1.48) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.76 K(o=-2.8,f=-7!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 18.835 0.582 2.423 1.00 0.00 N ATOM 23 CA LYS A 2 17.886 -0.545 2.675 1.00 0.00 C ATOM 24 C LYS A 2 16.539 0.001 3.164 1.00 0.00 C ATOM 25 O LYS A 2 16.495 0.806 4.073 1.00 0.00 O ATOM 26 CB LYS A 2 18.477 -1.466 3.745 1.00 0.00 C ATOM 27 CG LYS A 2 17.838 -2.851 3.641 1.00 0.00 C ATOM 28 CD LYS A 2 18.706 -3.872 4.380 1.00 0.00 C ATOM 29 CE LYS A 2 19.123 -4.983 3.415 1.00 0.00 C ATOM 30 NZ LYS A 2 20.308 -5.700 3.965 1.00 0.00 N ATOM 0 HA LYS A 2 17.731 -1.099 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.557 -1.542 3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.302 -1.047 4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.835 -2.833 4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.733 -3.137 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.589 -3.384 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.154 -4.294 5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.298 -5.681 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.361 -4.561 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.814 -6.178 3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.944 -5.018 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.994 -6.405 4.662 1.00 0.00 H new ATOM 44 N PRO A 3 15.476 -0.545 2.624 1.00 0.00 N ATOM 45 CA PRO A 3 14.133 0.060 2.715 1.00 0.00 C ATOM 46 C PRO A 3 13.525 -0.192 4.097 1.00 0.00 C ATOM 47 O PRO A 3 12.847 -1.175 4.317 1.00 0.00 O ATOM 48 CB PRO A 3 13.336 -0.668 1.631 1.00 0.00 C ATOM 49 CG PRO A 3 14.069 -2.004 1.375 1.00 0.00 C ATOM 50 CD PRO A 3 15.514 -1.817 1.874 1.00 0.00 C ATOM 0 HA PRO A 3 14.141 1.141 2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.310 -0.844 1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.285 -0.072 0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.579 -2.822 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.055 -2.256 0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.826 -2.645 2.510 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.219 -1.769 1.044 1.00 0.00 H new ATOM 58 N LYS A 4 13.761 0.690 5.029 1.00 0.00 N ATOM 59 CA LYS A 4 13.194 0.499 6.391 1.00 0.00 C ATOM 60 C LYS A 4 11.710 0.869 6.378 1.00 0.00 C ATOM 61 O LYS A 4 11.332 1.956 6.764 1.00 0.00 O ATOM 62 CB LYS A 4 13.934 1.397 7.384 1.00 0.00 C ATOM 63 CG LYS A 4 15.440 1.148 7.275 1.00 0.00 C ATOM 64 CD LYS A 4 15.922 0.385 8.511 1.00 0.00 C ATOM 65 CE LYS A 4 15.766 -1.118 8.276 1.00 0.00 C ATOM 66 NZ LYS A 4 16.946 -1.629 7.522 1.00 0.00 N ATOM 0 H LYS A 4 14.321 1.533 4.905 1.00 0.00 H new ATOM 0 HA LYS A 4 13.309 -0.543 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.712 2.444 7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.594 1.192 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.661 0.577 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.971 2.096 7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.965 0.625 8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.347 0.689 9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.677 -1.639 9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.851 -1.316 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.840 -2.651 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.011 -1.140 6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.812 -1.453 8.071 1.00 0.00 H new ATOM 80 N ILE A 5 10.869 -0.031 5.938 1.00 0.00 N ATOM 81 CA ILE A 5 9.406 0.258 5.900 1.00 0.00 C ATOM 82 C ILE A 5 8.831 0.095 7.308 1.00 0.00 C ATOM 83 O ILE A 5 8.843 -0.978 7.876 1.00 0.00 O ATOM 84 CB ILE A 5 8.727 -0.709 4.921 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.339 -0.182 4.548 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.591 -2.091 5.559 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.134 -0.313 3.038 1.00 0.00 C ATOM 0 H ILE A 5 11.135 -0.957 5.602 1.00 0.00 H new ATOM 0 HA ILE A 5 9.228 1.279 5.562 1.00 0.00 H new ATOM 0 HB ILE A 5 9.339 -0.787 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.570 -0.742 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.241 0.861 4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.108 -2.770 4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.580 -2.474 5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.988 -2.016 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.146 0.062 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.895 0.267 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.214 -1.361 2.749 1.00 0.00 H new ATOM 99 N LEU A 6 8.351 1.165 7.886 1.00 0.00 N ATOM 100 CA LEU A 6 7.804 1.082 9.269 1.00 0.00 C ATOM 101 C LEU A 6 6.275 1.168 9.254 1.00 0.00 C ATOM 102 O LEU A 6 5.637 0.916 10.256 1.00 0.00 O ATOM 103 CB LEU A 6 8.367 2.233 10.105 1.00 0.00 C ATOM 104 CG LEU A 6 9.662 1.784 10.783 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.839 2.578 10.214 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.562 2.032 12.290 1.00 0.00 C ATOM 0 H LEU A 6 8.315 2.091 7.459 1.00 0.00 H new ATOM 0 HA LEU A 6 8.095 0.125 9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.557 3.099 9.470 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.639 2.542 10.855 1.00 0.00 H new ATOM 0 HG LEU A 6 9.818 0.721 10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.762 2.258 10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.912 2.402 9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.683 3.641 10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.485 1.712 12.773 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.405 3.095 12.474 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.724 1.466 12.697 1.00 0.00 H new ATOM 118 N THR A 7 5.681 1.524 8.139 1.00 0.00 N ATOM 119 CA THR A 7 4.188 1.620 8.086 1.00 0.00 C ATOM 120 C THR A 7 3.567 0.494 8.920 1.00 0.00 C ATOM 121 O THR A 7 3.706 -0.672 8.608 1.00 0.00 O ATOM 122 CB THR A 7 3.717 1.493 6.637 1.00 0.00 C ATOM 123 OG1 THR A 7 2.310 1.293 6.614 1.00 0.00 O ATOM 124 CG2 THR A 7 4.413 0.303 5.977 1.00 0.00 C ATOM 0 H THR A 7 6.163 1.751 7.269 1.00 0.00 H new ATOM 0 HA THR A 7 3.877 2.584 8.489 1.00 0.00 H new ATOM 0 HB THR A 7 3.964 2.404 6.092 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.114 0.381 6.313 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.077 0.212 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.492 0.456 5.996 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.167 -0.609 6.520 1.00 0.00 H new ATOM 132 N ALA A 8 2.894 0.840 9.985 1.00 0.00 N ATOM 133 CA ALA A 8 2.269 -0.200 10.857 1.00 0.00 C ATOM 134 C ALA A 8 1.651 -1.297 10.000 1.00 0.00 C ATOM 135 O ALA A 8 1.868 -2.472 10.215 1.00 0.00 O ATOM 136 CB ALA A 8 1.184 0.444 11.721 1.00 0.00 C ATOM 0 H ALA A 8 2.749 1.802 10.291 1.00 0.00 H new ATOM 0 HA ALA A 8 3.036 -0.637 11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.728 -0.314 12.357 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.628 1.221 12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.422 0.885 11.079 1.00 0.00 H new ATOM 142 N SER A 9 0.888 -0.915 9.030 1.00 0.00 N ATOM 143 CA SER A 9 0.245 -1.920 8.140 1.00 0.00 C ATOM 144 C SER A 9 -0.648 -2.848 8.964 1.00 0.00 C ATOM 145 O SER A 9 -0.197 -3.523 9.867 1.00 0.00 O ATOM 146 CB SER A 9 1.329 -2.741 7.442 1.00 0.00 C ATOM 147 OG SER A 9 1.623 -3.890 8.226 1.00 0.00 O ATOM 0 H SER A 9 0.676 0.058 8.808 1.00 0.00 H new ATOM 0 HA SER A 9 -0.364 -1.407 7.396 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.993 -3.040 6.449 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.227 -2.139 7.307 1.00 0.00 H new ATOM 0 HG SER A 9 1.471 -3.688 9.173 1.00 0.00 H new ATOM 153 N ARG A 10 -1.913 -2.885 8.650 1.00 0.00 N ATOM 154 CA ARG A 10 -2.851 -3.766 9.400 1.00 0.00 C ATOM 155 C ARG A 10 -4.137 -3.919 8.595 1.00 0.00 C ATOM 156 O ARG A 10 -4.297 -4.842 7.821 1.00 0.00 O ATOM 157 CB ARG A 10 -3.167 -3.139 10.762 1.00 0.00 C ATOM 158 CG ARG A 10 -2.522 -3.974 11.871 1.00 0.00 C ATOM 159 CD ARG A 10 -1.164 -3.374 12.239 1.00 0.00 C ATOM 160 NE ARG A 10 -1.186 -2.928 13.660 1.00 0.00 N ATOM 161 CZ ARG A 10 -1.922 -1.909 14.013 1.00 0.00 C ATOM 162 NH1 ARG A 10 -2.096 -0.914 13.187 1.00 0.00 N ATOM 163 NH2 ARG A 10 -2.483 -1.886 15.190 1.00 0.00 N ATOM 0 H ARG A 10 -2.340 -2.339 7.901 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.395 -4.744 9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.793 -2.116 10.799 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.246 -3.090 10.910 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.170 -3.997 12.747 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.398 -5.005 11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.376 -4.113 12.091 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.938 -2.531 11.586 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.626 -3.419 14.357 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.657 -0.933 12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.671 -0.118 13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.347 -2.664 15.835 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.058 -1.090 15.465 1.00 0.00 H new ATOM 177 N LYS A 11 -5.047 -3.013 8.768 1.00 0.00 N ATOM 178 CA LYS A 11 -6.328 -3.084 8.012 1.00 0.00 C ATOM 179 C LYS A 11 -6.750 -1.677 7.591 1.00 0.00 C ATOM 180 O LYS A 11 -6.092 -0.702 7.895 1.00 0.00 O ATOM 181 CB LYS A 11 -7.419 -3.699 8.891 1.00 0.00 C ATOM 182 CG LYS A 11 -7.410 -3.028 10.266 1.00 0.00 C ATOM 183 CD LYS A 11 -7.829 -4.043 11.332 1.00 0.00 C ATOM 184 CE LYS A 11 -9.353 -4.051 11.459 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.767 -5.117 12.415 1.00 0.00 N ATOM 0 H LYS A 11 -4.963 -2.219 9.403 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.187 -3.705 7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.394 -3.573 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.253 -4.771 8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.415 -2.642 10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.091 -2.177 10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.471 -5.037 11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.375 -3.789 12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.705 -3.080 11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.809 -4.225 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.803 -5.122 12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.444 -6.042 12.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.343 -4.932 13.346 1.00 0.00 H new ATOM 199 N ILE A 12 -7.842 -1.566 6.889 1.00 0.00 N ATOM 200 CA ILE A 12 -8.310 -0.227 6.441 1.00 0.00 C ATOM 201 C ILE A 12 -9.828 -0.263 6.251 1.00 0.00 C ATOM 202 O ILE A 12 -10.325 -0.610 5.198 1.00 0.00 O ATOM 203 CB ILE A 12 -7.632 0.124 5.116 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.149 0.408 5.364 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.292 1.361 4.513 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.008 1.633 6.270 1.00 0.00 C ATOM 0 H ILE A 12 -8.432 -2.348 6.605 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.056 0.525 7.188 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.734 -0.713 4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.675 -0.457 5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.638 0.582 4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.807 1.609 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.349 1.160 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.193 2.199 5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.952 1.835 6.447 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.467 2.496 5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.505 1.441 7.221 1.00 0.00 H new ATOM 218 N LYS A 13 -10.569 0.087 7.268 1.00 0.00 N ATOM 219 CA LYS A 13 -12.055 0.066 7.152 1.00 0.00 C ATOM 220 C LYS A 13 -12.525 1.253 6.309 1.00 0.00 C ATOM 221 O LYS A 13 -12.786 2.325 6.819 1.00 0.00 O ATOM 222 CB LYS A 13 -12.675 0.157 8.548 1.00 0.00 C ATOM 223 CG LYS A 13 -12.006 1.288 9.331 1.00 0.00 C ATOM 224 CD LYS A 13 -12.974 1.819 10.390 1.00 0.00 C ATOM 225 CE LYS A 13 -12.875 0.956 11.650 1.00 0.00 C ATOM 226 NZ LYS A 13 -14.161 1.025 12.400 1.00 0.00 N ATOM 0 H LYS A 13 -10.209 0.387 8.174 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.366 -0.862 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.747 0.339 8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.550 -0.789 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.094 0.926 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.715 2.091 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.737 2.856 10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.994 1.805 10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.654 -0.077 11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.055 1.304 12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.095 0.439 13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.354 2.011 12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.933 0.673 11.798 1.00 0.00 H new ATOM 240 N ILE A 14 -12.643 1.070 5.022 1.00 0.00 N ATOM 241 CA ILE A 14 -13.104 2.185 4.149 1.00 0.00 C ATOM 242 C ILE A 14 -14.607 2.035 3.891 1.00 0.00 C ATOM 243 O ILE A 14 -15.155 0.952 3.957 1.00 0.00 O ATOM 244 CB ILE A 14 -12.350 2.139 2.816 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.876 1.806 3.070 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.457 3.496 2.117 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.065 2.006 1.784 1.00 0.00 C ATOM 0 H ILE A 14 -12.440 0.196 4.538 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.909 3.138 4.641 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.789 1.371 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.482 2.443 3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.781 0.776 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.920 3.460 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.506 3.728 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.022 4.268 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.018 1.767 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.452 1.350 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.148 3.043 1.459 1.00 0.00 H new ATOM 259 N LYS A 15 -15.280 3.112 3.595 1.00 0.00 N ATOM 260 CA LYS A 15 -16.742 3.021 3.327 1.00 0.00 C ATOM 261 C LYS A 15 -16.961 2.821 1.826 1.00 0.00 C ATOM 262 O LYS A 15 -16.062 3.007 1.030 1.00 0.00 O ATOM 263 CB LYS A 15 -17.424 4.313 3.780 1.00 0.00 C ATOM 264 CG LYS A 15 -18.402 4.007 4.917 1.00 0.00 C ATOM 265 CD LYS A 15 -19.829 3.965 4.368 1.00 0.00 C ATOM 266 CE LYS A 15 -20.727 4.874 5.209 1.00 0.00 C ATOM 267 NZ LYS A 15 -22.055 4.224 5.399 1.00 0.00 N ATOM 0 H LYS A 15 -14.882 4.049 3.527 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.168 2.180 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.677 5.033 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.954 4.769 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.151 3.052 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.322 4.768 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.839 4.288 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.208 2.943 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.263 5.067 6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.850 5.838 4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.665 4.842 5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.498 4.062 4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.930 3.314 5.887 1.00 0.00 H new ATOM 281 N ALA A 16 -18.143 2.437 1.430 1.00 0.00 N ATOM 282 CA ALA A 16 -18.401 2.223 -0.022 1.00 0.00 C ATOM 283 C ALA A 16 -18.513 3.578 -0.730 1.00 0.00 C ATOM 284 O ALA A 16 -18.903 4.561 -0.138 1.00 0.00 O ATOM 285 CB ALA A 16 -19.705 1.443 -0.198 1.00 0.00 C ATOM 0 H ALA A 16 -18.938 2.263 2.045 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.578 1.657 -0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.895 1.286 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.622 0.478 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.529 2.008 0.238 1.00 0.00 H new ATOM 291 N GLY A 17 -18.175 3.637 -1.993 1.00 0.00 N ATOM 292 CA GLY A 17 -18.260 4.928 -2.735 1.00 0.00 C ATOM 293 C GLY A 17 -17.652 6.045 -1.887 1.00 0.00 C ATOM 294 O GLY A 17 -18.051 7.190 -1.973 1.00 0.00 O ATOM 0 H GLY A 17 -17.843 2.844 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.731 4.849 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.300 5.158 -2.967 1.00 0.00 H new ATOM 298 N PHE A 18 -16.698 5.720 -1.057 1.00 0.00 N ATOM 299 CA PHE A 18 -16.076 6.766 -0.190 1.00 0.00 C ATOM 300 C PHE A 18 -14.643 7.055 -0.639 1.00 0.00 C ATOM 301 O PHE A 18 -14.167 6.528 -1.627 1.00 0.00 O ATOM 302 CB PHE A 18 -16.055 6.286 1.262 1.00 0.00 C ATOM 303 CG PHE A 18 -17.314 6.746 1.950 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.503 6.825 1.226 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.292 7.091 3.306 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.680 7.250 1.854 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.467 7.516 3.937 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.662 7.595 3.211 1.00 0.00 C ATOM 0 H PHE A 18 -16.322 4.779 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.667 7.678 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.982 5.199 1.298 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.179 6.681 1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.516 6.558 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.370 7.029 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.601 7.312 1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.452 7.783 4.983 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.569 7.922 3.697 1.00 0.00 H new ATOM 318 N THR A 19 -13.956 7.897 0.089 1.00 0.00 N ATOM 319 CA THR A 19 -12.555 8.238 -0.278 1.00 0.00 C ATOM 320 C THR A 19 -11.614 7.880 0.875 1.00 0.00 C ATOM 321 O THR A 19 -11.868 8.199 2.019 1.00 0.00 O ATOM 322 CB THR A 19 -12.458 9.738 -0.564 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.804 10.465 0.607 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.415 10.105 -1.698 1.00 0.00 C ATOM 0 H THR A 19 -14.309 8.363 0.925 1.00 0.00 H new ATOM 0 HA THR A 19 -12.268 7.674 -1.165 1.00 0.00 H new ATOM 0 HB THR A 19 -11.439 9.988 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.741 11.426 0.426 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.345 11.174 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.147 9.547 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.436 9.857 -1.407 1.00 0.00 H new ATOM 332 N HIS A 20 -10.530 7.217 0.579 1.00 0.00 N ATOM 333 CA HIS A 20 -9.568 6.834 1.654 1.00 0.00 C ATOM 334 C HIS A 20 -8.196 7.444 1.357 1.00 0.00 C ATOM 335 O HIS A 20 -7.898 7.812 0.238 1.00 0.00 O ATOM 336 CB HIS A 20 -9.432 5.313 1.685 1.00 0.00 C ATOM 337 CG HIS A 20 -9.372 4.820 3.099 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.463 4.873 3.949 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.363 4.228 3.815 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.094 4.321 5.117 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.821 3.914 5.092 1.00 0.00 N ATOM 0 H HIS A 20 -10.268 6.923 -0.362 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.934 7.200 2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.277 4.856 1.170 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.531 5.012 1.150 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.367 4.035 3.445 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.746 4.219 5.972 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.298 3.469 5.846 1.00 0.00 H new ATOM 349 N ASN A 21 -7.352 7.537 2.347 1.00 0.00 N ATOM 350 CA ASN A 21 -5.994 8.102 2.118 1.00 0.00 C ATOM 351 C ASN A 21 -4.960 7.161 2.736 1.00 0.00 C ATOM 352 O ASN A 21 -4.521 7.343 3.854 1.00 0.00 O ATOM 353 CB ASN A 21 -5.887 9.487 2.756 1.00 0.00 C ATOM 354 CG ASN A 21 -6.754 9.540 4.016 1.00 0.00 C ATOM 355 OD1 ASN A 21 -6.257 9.398 5.115 1.00 0.00 O ATOM 356 ND2 ASN A 21 -8.039 9.739 3.901 1.00 0.00 N ATOM 0 H ASN A 21 -7.545 7.246 3.305 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.812 8.200 1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.849 9.703 3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.209 10.251 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.626 9.775 4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.456 9.858 2.978 1.00 0.00 H new ATOM 363 N LEU A 22 -4.585 6.145 2.012 1.00 0.00 N ATOM 364 CA LEU A 22 -3.597 5.161 2.532 1.00 0.00 C ATOM 365 C LEU A 22 -2.209 5.797 2.616 1.00 0.00 C ATOM 366 O LEU A 22 -1.733 6.396 1.672 1.00 0.00 O ATOM 367 CB LEU A 22 -3.557 3.980 1.570 1.00 0.00 C ATOM 368 CG LEU A 22 -2.572 2.927 2.063 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.062 1.555 1.611 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.190 3.192 1.461 1.00 0.00 C ATOM 0 H LEU A 22 -4.926 5.952 1.070 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.888 4.835 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.551 3.543 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.267 4.322 0.576 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.503 2.965 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.368 0.789 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.050 1.365 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.119 1.529 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.488 2.437 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.252 3.148 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.844 4.180 1.765 1.00 0.00 H new ATOM 382 N GLU A 23 -1.551 5.657 3.737 1.00 0.00 N ATOM 383 CA GLU A 23 -0.188 6.244 3.883 1.00 0.00 C ATOM 384 C GLU A 23 0.803 5.152 4.305 1.00 0.00 C ATOM 385 O GLU A 23 0.459 4.221 5.005 1.00 0.00 O ATOM 386 CB GLU A 23 -0.218 7.343 4.947 1.00 0.00 C ATOM 387 CG GLU A 23 -0.612 6.738 6.295 1.00 0.00 C ATOM 388 CD GLU A 23 -2.133 6.794 6.455 1.00 0.00 C ATOM 389 OE1 GLU A 23 -2.702 7.830 6.155 1.00 0.00 O ATOM 390 OE2 GLU A 23 -2.702 5.800 6.875 1.00 0.00 O ATOM 0 H GLU A 23 -1.899 5.161 4.557 1.00 0.00 H new ATOM 0 HA GLU A 23 0.126 6.667 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.760 7.818 5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.929 8.119 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.267 5.706 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.130 7.285 7.106 1.00 0.00 H new ATOM 397 N VAL A 24 2.033 5.266 3.881 1.00 0.00 N ATOM 398 CA VAL A 24 3.061 4.248 4.246 1.00 0.00 C ATOM 399 C VAL A 24 4.442 4.910 4.214 1.00 0.00 C ATOM 400 O VAL A 24 4.630 5.926 3.575 1.00 0.00 O ATOM 401 CB VAL A 24 3.015 3.094 3.238 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.307 2.275 3.321 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.824 2.192 3.559 1.00 0.00 C ATOM 0 H VAL A 24 2.372 6.027 3.293 1.00 0.00 H new ATOM 0 HA VAL A 24 2.864 3.857 5.244 1.00 0.00 H new ATOM 0 HB VAL A 24 2.912 3.500 2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.266 1.457 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.159 2.916 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.416 1.869 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.787 1.370 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.932 1.792 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.902 2.770 3.495 1.00 0.00 H new ATOM 413 N ASP A 25 5.409 4.355 4.896 1.00 0.00 N ATOM 414 CA ASP A 25 6.760 4.983 4.890 1.00 0.00 C ATOM 415 C ASP A 25 7.853 3.919 4.961 1.00 0.00 C ATOM 416 O ASP A 25 7.742 2.943 5.676 1.00 0.00 O ATOM 417 CB ASP A 25 6.889 5.927 6.087 1.00 0.00 C ATOM 418 CG ASP A 25 8.202 6.704 5.986 1.00 0.00 C ATOM 419 OD1 ASP A 25 8.374 7.415 5.010 1.00 0.00 O ATOM 420 OD2 ASP A 25 9.015 6.575 6.888 1.00 0.00 O ATOM 0 H ASP A 25 5.323 3.503 5.451 1.00 0.00 H new ATOM 0 HA ASP A 25 6.879 5.542 3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.046 6.618 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.861 5.358 7.017 1.00 0.00 H new ATOM 425 N PHE A 26 8.923 4.114 4.232 1.00 0.00 N ATOM 426 CA PHE A 26 10.034 3.122 4.271 1.00 0.00 C ATOM 427 C PHE A 26 11.323 3.774 3.775 1.00 0.00 C ATOM 428 O PHE A 26 11.370 4.351 2.709 1.00 0.00 O ATOM 429 CB PHE A 26 9.689 1.904 3.406 1.00 0.00 C ATOM 430 CG PHE A 26 9.573 2.298 1.954 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.349 2.755 1.448 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.683 2.187 1.108 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.237 3.102 0.097 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.571 2.538 -0.242 1.00 0.00 C ATOM 435 CZ PHE A 26 9.348 2.994 -0.747 1.00 0.00 C ATOM 0 H PHE A 26 9.073 4.913 3.616 1.00 0.00 H new ATOM 0 HA PHE A 26 10.176 2.787 5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.458 1.140 3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.751 1.465 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.492 2.839 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.625 1.831 1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.294 3.453 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.428 2.457 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.262 3.263 -1.789 1.00 0.00 H new ATOM 445 N ILE A 27 12.372 3.691 4.547 1.00 0.00 N ATOM 446 CA ILE A 27 13.656 4.319 4.124 1.00 0.00 C ATOM 447 C ILE A 27 14.355 3.424 3.104 1.00 0.00 C ATOM 448 O ILE A 27 15.234 2.654 3.431 1.00 0.00 O ATOM 449 CB ILE A 27 14.554 4.513 5.347 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.038 5.703 6.154 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.993 4.790 4.900 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.579 5.458 6.543 1.00 0.00 C ATOM 0 H ILE A 27 12.396 3.217 5.450 1.00 0.00 H new ATOM 0 HA ILE A 27 13.454 5.288 3.667 1.00 0.00 H new ATOM 0 HB ILE A 27 14.538 3.610 5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.646 5.841 7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.121 6.618 5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.626 4.927 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.361 3.947 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.017 5.693 4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.209 6.306 7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.977 5.341 5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.510 4.552 7.146 1.00 0.00 H new ATOM 464 N GLY A 28 13.967 3.529 1.867 1.00 0.00 N ATOM 465 CA GLY A 28 14.600 2.691 0.812 1.00 0.00 C ATOM 466 C GLY A 28 15.397 3.578 -0.146 1.00 0.00 C ATOM 467 O GLY A 28 15.022 4.700 -0.423 1.00 0.00 O ATOM 0 H GLY A 28 13.237 4.161 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.257 1.951 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.835 2.142 0.263 1.00 0.00 H new ATOM 471 N ALA A 29 16.493 3.089 -0.659 1.00 0.00 N ATOM 472 CA ALA A 29 17.295 3.912 -1.606 1.00 0.00 C ATOM 473 C ALA A 29 18.667 3.265 -1.827 1.00 0.00 C ATOM 474 O ALA A 29 19.044 2.356 -1.117 1.00 0.00 O ATOM 475 CB ALA A 29 17.466 5.323 -1.044 1.00 0.00 C ATOM 0 H ALA A 29 16.866 2.160 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 29 16.774 3.969 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.053 5.923 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.487 5.781 -0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 29 17.980 5.273 -0.084 1.00 0.00 H new ATOM 481 N PRO A 30 19.362 3.749 -2.827 1.00 0.00 N ATOM 482 CA PRO A 30 18.884 4.853 -3.678 1.00 0.00 C ATOM 483 C PRO A 30 17.785 4.366 -4.619 1.00 0.00 C ATOM 484 O PRO A 30 17.794 3.241 -5.078 1.00 0.00 O ATOM 485 CB PRO A 30 20.127 5.279 -4.457 1.00 0.00 C ATOM 486 CG PRO A 30 21.077 4.066 -4.439 1.00 0.00 C ATOM 487 CD PRO A 30 20.684 3.221 -3.212 1.00 0.00 C ATOM 0 HA PRO A 30 18.449 5.674 -3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.870 5.558 -5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.596 6.149 -3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.982 3.485 -5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.116 4.388 -4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.635 2.160 -3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.408 3.329 -2.404 1.00 0.00 H new ATOM 495 N ASP A 31 16.845 5.218 -4.901 1.00 0.00 N ATOM 496 CA ASP A 31 15.718 4.852 -5.807 1.00 0.00 C ATOM 497 C ASP A 31 15.313 3.388 -5.586 1.00 0.00 C ATOM 498 O ASP A 31 15.713 2.518 -6.333 1.00 0.00 O ATOM 499 CB ASP A 31 16.147 5.048 -7.262 1.00 0.00 C ATOM 500 CG ASP A 31 17.411 4.231 -7.536 1.00 0.00 C ATOM 501 OD1 ASP A 31 18.490 4.750 -7.304 1.00 0.00 O ATOM 502 OD2 ASP A 31 17.278 3.100 -7.974 1.00 0.00 O ATOM 0 H ASP A 31 16.806 6.170 -4.537 1.00 0.00 H new ATOM 0 HA ASP A 31 14.865 5.493 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.347 4.736 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.334 6.104 -7.458 1.00 0.00 H new ATOM 507 N PRO A 32 14.529 3.165 -4.562 1.00 0.00 N ATOM 508 CA PRO A 32 14.046 1.818 -4.207 1.00 0.00 C ATOM 509 C PRO A 32 12.864 1.423 -5.093 1.00 0.00 C ATOM 510 O PRO A 32 12.575 2.060 -6.087 1.00 0.00 O ATOM 511 CB PRO A 32 13.576 1.977 -2.760 1.00 0.00 C ATOM 512 CG PRO A 32 13.267 3.480 -2.572 1.00 0.00 C ATOM 513 CD PRO A 32 14.054 4.233 -3.660 1.00 0.00 C ATOM 0 HA PRO A 32 14.808 1.049 -4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.691 1.370 -2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.345 1.647 -2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.198 3.670 -2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.564 3.815 -1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.422 4.948 -4.187 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.885 4.795 -3.234 1.00 0.00 H new ATOM 521 N THR A 33 12.169 0.385 -4.723 1.00 0.00 N ATOM 522 CA THR A 33 10.990 -0.053 -5.519 1.00 0.00 C ATOM 523 C THR A 33 9.813 -0.273 -4.566 1.00 0.00 C ATOM 524 O THR A 33 9.994 -0.644 -3.426 1.00 0.00 O ATOM 525 CB THR A 33 11.317 -1.361 -6.244 1.00 0.00 C ATOM 526 OG1 THR A 33 12.233 -1.099 -7.298 1.00 0.00 O ATOM 527 CG2 THR A 33 10.034 -1.964 -6.818 1.00 0.00 C ATOM 0 H THR A 33 12.368 -0.182 -3.899 1.00 0.00 H new ATOM 0 HA THR A 33 10.735 0.707 -6.257 1.00 0.00 H new ATOM 0 HB THR A 33 11.762 -2.065 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.445 -1.935 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.269 -2.895 -7.334 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.332 -2.165 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.585 -1.263 -7.522 1.00 0.00 H new ATOM 535 N ALA A 34 8.611 -0.046 -5.014 1.00 0.00 N ATOM 536 CA ALA A 34 7.439 -0.249 -4.115 1.00 0.00 C ATOM 537 C ALA A 34 6.196 -0.536 -4.954 1.00 0.00 C ATOM 538 O ALA A 34 5.588 0.356 -5.510 1.00 0.00 O ATOM 539 CB ALA A 34 7.211 1.005 -3.268 1.00 0.00 C ATOM 0 H ALA A 34 8.388 0.270 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 34 7.634 -1.094 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.353 0.851 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.097 1.203 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.020 1.856 -3.922 1.00 0.00 H new ATOM 545 N THR A 35 5.817 -1.780 -5.052 1.00 0.00 N ATOM 546 CA THR A 35 4.617 -2.130 -5.857 1.00 0.00 C ATOM 547 C THR A 35 3.398 -2.238 -4.939 1.00 0.00 C ATOM 548 O THR A 35 3.395 -2.981 -3.975 1.00 0.00 O ATOM 549 CB THR A 35 4.848 -3.470 -6.560 1.00 0.00 C ATOM 550 OG1 THR A 35 5.835 -3.309 -7.569 1.00 0.00 O ATOM 551 CG2 THR A 35 3.540 -3.948 -7.194 1.00 0.00 C ATOM 0 H THR A 35 6.288 -2.569 -4.609 1.00 0.00 H new ATOM 0 HA THR A 35 4.441 -1.354 -6.602 1.00 0.00 H new ATOM 0 HB THR A 35 5.188 -4.208 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.986 -4.166 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.706 -4.902 -7.694 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.784 -4.071 -6.419 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.198 -3.212 -7.921 1.00 0.00 H new ATOM 559 N TRP A 36 2.360 -1.505 -5.238 1.00 0.00 N ATOM 560 CA TRP A 36 1.134 -1.566 -4.397 1.00 0.00 C ATOM 561 C TRP A 36 0.266 -2.740 -4.876 1.00 0.00 C ATOM 562 O TRP A 36 -0.410 -2.680 -5.899 1.00 0.00 O ATOM 563 CB TRP A 36 0.375 -0.241 -4.510 1.00 0.00 C ATOM 564 CG TRP A 36 0.835 0.682 -3.418 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.624 1.773 -3.587 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.561 0.603 -1.989 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.831 2.371 -2.360 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.202 1.687 -1.344 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.174 -0.291 -1.198 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.114 1.876 0.035 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.260 -0.107 0.191 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.380 0.974 0.805 1.00 0.00 C ATOM 0 H TRP A 36 2.310 -0.865 -6.031 1.00 0.00 H new ATOM 0 HA TRP A 36 1.395 -1.723 -3.350 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.552 0.212 -5.485 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.698 -0.414 -4.429 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.025 2.118 -4.529 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.383 3.217 -2.223 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.678 -1.127 -1.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.610 2.714 0.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.825 -0.806 0.790 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.306 1.110 1.874 1.00 0.00 H new ATOM 583 N THR A 37 0.300 -3.828 -4.159 1.00 0.00 N ATOM 584 CA THR A 37 -0.499 -5.003 -4.588 1.00 0.00 C ATOM 585 C THR A 37 -1.740 -5.157 -3.723 1.00 0.00 C ATOM 586 O THR A 37 -1.996 -4.395 -2.811 1.00 0.00 O ATOM 587 CB THR A 37 0.325 -6.287 -4.485 1.00 0.00 C ATOM 588 OG1 THR A 37 1.504 -6.039 -3.734 1.00 0.00 O ATOM 589 CG2 THR A 37 0.700 -6.784 -5.883 1.00 0.00 C ATOM 0 H THR A 37 0.841 -3.952 -3.303 1.00 0.00 H new ATOM 0 HA THR A 37 -0.791 -4.836 -5.625 1.00 0.00 H new ATOM 0 HB THR A 37 -0.270 -7.051 -3.984 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.270 -5.909 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.287 -7.699 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.207 -6.986 -6.453 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.288 -6.022 -6.395 1.00 0.00 H new ATOM 597 N VAL A 38 -2.517 -6.150 -4.024 1.00 0.00 N ATOM 598 CA VAL A 38 -3.762 -6.388 -3.266 1.00 0.00 C ATOM 599 C VAL A 38 -3.911 -7.888 -2.994 1.00 0.00 C ATOM 600 O VAL A 38 -2.986 -8.655 -3.174 1.00 0.00 O ATOM 601 CB VAL A 38 -4.918 -5.870 -4.122 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.341 -6.936 -5.129 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.095 -5.492 -3.232 1.00 0.00 C ATOM 0 H VAL A 38 -2.338 -6.816 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.751 -5.874 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.588 -4.985 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.165 -6.558 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.498 -7.181 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.662 -7.832 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.914 -5.124 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.426 -6.368 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.788 -4.713 -2.534 1.00 0.00 H new ATOM 650 N ALA A 43 -2.268 -10.477 -6.475 1.00 0.00 N ATOM 651 CA ALA A 43 -3.243 -9.467 -6.956 1.00 0.00 C ATOM 652 C ALA A 43 -2.594 -8.085 -6.890 1.00 0.00 C ATOM 653 O ALA A 43 -1.554 -7.915 -6.291 1.00 0.00 O ATOM 654 CB ALA A 43 -4.490 -9.496 -6.067 1.00 0.00 C ATOM 0 HA ALA A 43 -3.533 -9.689 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.206 -8.754 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.943 -10.486 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.209 -9.268 -5.039 1.00 0.00 H new ATOM 660 N ALA A 44 -3.192 -7.098 -7.495 1.00 0.00 N ATOM 661 CA ALA A 44 -2.591 -5.735 -7.451 1.00 0.00 C ATOM 662 C ALA A 44 -3.702 -4.693 -7.330 1.00 0.00 C ATOM 663 O ALA A 44 -4.847 -4.970 -7.629 1.00 0.00 O ATOM 664 CB ALA A 44 -1.791 -5.485 -8.732 1.00 0.00 C ATOM 0 H ALA A 44 -4.066 -7.174 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.926 -5.659 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.352 -4.488 -8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.998 -6.228 -8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.453 -5.561 -9.595 1.00 0.00 H new ATOM 670 N LEU A 45 -3.392 -3.490 -6.912 1.00 0.00 N ATOM 671 CA LEU A 45 -4.487 -2.470 -6.814 1.00 0.00 C ATOM 672 C LEU A 45 -4.019 -1.137 -7.401 1.00 0.00 C ATOM 673 O LEU A 45 -2.854 -0.797 -7.354 1.00 0.00 O ATOM 674 CB LEU A 45 -4.967 -2.307 -5.358 1.00 0.00 C ATOM 675 CG LEU A 45 -3.943 -1.569 -4.495 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.566 -2.145 -4.727 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.950 -0.075 -4.832 1.00 0.00 C ATOM 0 H LEU A 45 -2.460 -3.175 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.339 -2.819 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.911 -1.762 -5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.162 -3.290 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.209 -1.694 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.841 -1.615 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.564 -3.202 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.297 -2.034 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.217 0.441 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.697 0.062 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.941 0.336 -4.641 1.00 0.00 H new ATOM 728 N LEU A 49 -8.708 2.857 -7.836 1.00 0.00 N ATOM 729 CA LEU A 49 -8.464 3.965 -6.880 1.00 0.00 C ATOM 730 C LEU A 49 -7.238 4.752 -7.344 1.00 0.00 C ATOM 731 O LEU A 49 -6.768 4.584 -8.451 1.00 0.00 O ATOM 732 CB LEU A 49 -8.222 3.385 -5.488 1.00 0.00 C ATOM 733 CG LEU A 49 -7.265 2.195 -5.579 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.831 2.667 -5.343 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.642 1.170 -4.513 1.00 0.00 C ATOM 0 HA LEU A 49 -9.328 4.629 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.804 4.150 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.167 3.070 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.336 1.745 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.153 1.816 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.562 3.405 -6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.754 3.117 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.964 0.318 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.567 1.627 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.665 0.832 -4.679 1.00 0.00 H new ATOM 747 N LEU A 50 -6.715 5.610 -6.519 1.00 0.00 N ATOM 748 CA LEU A 50 -5.525 6.397 -6.927 1.00 0.00 C ATOM 749 C LEU A 50 -4.315 5.893 -6.136 1.00 0.00 C ATOM 750 O LEU A 50 -4.463 5.259 -5.112 1.00 0.00 O ATOM 751 CB LEU A 50 -5.798 7.874 -6.631 1.00 0.00 C ATOM 752 CG LEU A 50 -4.488 8.649 -6.550 1.00 0.00 C ATOM 753 CD1 LEU A 50 -3.874 8.726 -7.943 1.00 0.00 C ATOM 754 CD2 LEU A 50 -4.774 10.059 -6.034 1.00 0.00 C ATOM 0 H LEU A 50 -7.061 5.800 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.320 6.283 -7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.431 8.297 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.343 7.969 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.795 8.149 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.936 9.279 -7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.684 7.719 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.563 9.236 -8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.842 10.620 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.458 10.564 -6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.227 9.999 -5.044 1.00 0.00 H new ATOM 766 N VAL A 51 -3.120 6.143 -6.600 1.00 0.00 N ATOM 767 CA VAL A 51 -1.931 5.644 -5.853 1.00 0.00 C ATOM 768 C VAL A 51 -0.729 6.569 -6.061 1.00 0.00 C ATOM 769 O VAL A 51 -0.471 7.043 -7.149 1.00 0.00 O ATOM 770 CB VAL A 51 -1.576 4.243 -6.353 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.337 3.734 -5.615 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.750 3.296 -6.091 1.00 0.00 C ATOM 0 H VAL A 51 -2.917 6.664 -7.453 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.173 5.619 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.370 4.282 -7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.085 2.735 -5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.500 4.408 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.541 3.696 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.498 2.297 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.956 3.259 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.633 3.657 -6.618 1.00 0.00 H new ATOM 782 N ASP A 52 0.018 6.806 -5.016 1.00 0.00 N ATOM 783 CA ASP A 52 1.226 7.674 -5.123 1.00 0.00 C ATOM 784 C ASP A 52 2.348 7.027 -4.308 1.00 0.00 C ATOM 785 O ASP A 52 2.098 6.272 -3.390 1.00 0.00 O ATOM 786 CB ASP A 52 0.924 9.073 -4.571 1.00 0.00 C ATOM 787 CG ASP A 52 -0.207 8.996 -3.543 1.00 0.00 C ATOM 788 OD1 ASP A 52 -1.316 8.672 -3.935 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.056 9.263 -2.382 1.00 0.00 O ATOM 0 H ASP A 52 -0.159 6.431 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 52 1.522 7.775 -6.167 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.818 9.492 -4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.642 9.741 -5.385 1.00 0.00 H new ATOM 794 N ALA A 53 3.582 7.284 -4.628 1.00 0.00 N ATOM 795 CA ALA A 53 4.663 6.632 -3.841 1.00 0.00 C ATOM 796 C ALA A 53 5.960 7.444 -3.907 1.00 0.00 C ATOM 797 O ALA A 53 6.273 8.069 -4.900 1.00 0.00 O ATOM 798 CB ALA A 53 4.894 5.226 -4.392 1.00 0.00 C ATOM 0 H ALA A 53 3.886 7.901 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 53 4.359 6.578 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.685 4.738 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.975 4.646 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.187 5.290 -5.440 1.00 0.00 H new ATOM 804 N LYS A 54 6.712 7.430 -2.837 1.00 0.00 N ATOM 805 CA LYS A 54 7.996 8.191 -2.796 1.00 0.00 C ATOM 806 C LYS A 54 9.170 7.225 -2.571 1.00 0.00 C ATOM 807 O LYS A 54 9.006 6.126 -2.083 1.00 0.00 O ATOM 808 CB LYS A 54 7.951 9.206 -1.653 1.00 0.00 C ATOM 809 CG LYS A 54 7.909 10.623 -2.228 1.00 0.00 C ATOM 810 CD LYS A 54 8.333 11.624 -1.152 1.00 0.00 C ATOM 811 CE LYS A 54 7.337 12.784 -1.111 1.00 0.00 C ATOM 812 NZ LYS A 54 7.671 13.763 -2.183 1.00 0.00 N ATOM 0 H LYS A 54 6.489 6.919 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 54 8.133 8.710 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.074 9.029 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.826 9.088 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.572 10.697 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.903 10.855 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.375 11.133 -0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.335 11.998 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.322 12.411 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.369 13.271 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.994 14.552 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.634 14.127 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.619 13.294 -3.110 1.00 0.00 H new ATOM 826 N SER A 55 10.353 7.631 -2.935 1.00 0.00 N ATOM 827 CA SER A 55 11.544 6.745 -2.767 1.00 0.00 C ATOM 828 C SER A 55 11.641 6.203 -1.333 1.00 0.00 C ATOM 829 O SER A 55 11.815 5.020 -1.125 1.00 0.00 O ATOM 830 CB SER A 55 12.809 7.540 -3.088 1.00 0.00 C ATOM 831 OG SER A 55 12.942 8.607 -2.158 1.00 0.00 O ATOM 0 H SER A 55 10.550 8.544 -3.345 1.00 0.00 H new ATOM 0 HA SER A 55 11.440 5.899 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.683 6.890 -3.041 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.758 7.932 -4.104 1.00 0.00 H new ATOM 0 HG SER A 55 13.753 9.118 -2.360 1.00 0.00 H new ATOM 837 N SER A 56 11.560 7.050 -0.343 1.00 0.00 N ATOM 838 CA SER A 56 11.685 6.558 1.063 1.00 0.00 C ATOM 839 C SER A 56 10.307 6.437 1.716 1.00 0.00 C ATOM 840 O SER A 56 10.178 6.481 2.925 1.00 0.00 O ATOM 841 CB SER A 56 12.539 7.539 1.867 1.00 0.00 C ATOM 842 OG SER A 56 13.801 7.692 1.231 1.00 0.00 O ATOM 0 H SER A 56 11.414 8.054 -0.443 1.00 0.00 H new ATOM 0 HA SER A 56 12.155 5.575 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.036 8.503 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.674 7.173 2.885 1.00 0.00 H new ATOM 0 HG SER A 56 14.351 8.322 1.743 1.00 0.00 H new ATOM 848 N THR A 57 9.276 6.281 0.943 1.00 0.00 N ATOM 849 CA THR A 57 7.921 6.161 1.550 1.00 0.00 C ATOM 850 C THR A 57 6.906 5.928 0.444 1.00 0.00 C ATOM 851 O THR A 57 7.262 5.688 -0.685 1.00 0.00 O ATOM 852 CB THR A 57 7.588 7.472 2.275 1.00 0.00 C ATOM 853 OG1 THR A 57 6.436 7.303 3.085 1.00 0.00 O ATOM 854 CG2 THR A 57 7.321 8.562 1.241 1.00 0.00 C ATOM 0 H THR A 57 9.308 6.231 -0.075 1.00 0.00 H new ATOM 0 HA THR A 57 7.895 5.330 2.255 1.00 0.00 H new ATOM 0 HB THR A 57 8.429 7.755 2.907 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.233 8.145 3.544 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.084 9.496 1.750 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.207 8.701 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.481 8.268 0.611 1.00 0.00 H new ATOM 862 N THR A 58 5.646 6.017 0.751 1.00 0.00 N ATOM 863 CA THR A 58 4.625 5.831 -0.304 1.00 0.00 C ATOM 864 C THR A 58 3.233 5.920 0.307 1.00 0.00 C ATOM 865 O THR A 58 3.016 5.556 1.443 1.00 0.00 O ATOM 866 CB THR A 58 4.796 4.469 -0.981 1.00 0.00 C ATOM 867 OG1 THR A 58 4.009 4.433 -2.159 1.00 0.00 O ATOM 868 CG2 THR A 58 4.334 3.365 -0.035 1.00 0.00 C ATOM 0 H THR A 58 5.282 6.210 1.684 1.00 0.00 H new ATOM 0 HA THR A 58 4.750 6.615 -1.051 1.00 0.00 H new ATOM 0 HB THR A 58 5.846 4.317 -1.231 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.141 3.575 -2.614 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.457 2.396 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.931 3.393 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.284 3.516 0.214 1.00 0.00 H new ATOM 876 N SER A 59 2.287 6.389 -0.449 1.00 0.00 N ATOM 877 CA SER A 59 0.898 6.493 0.065 1.00 0.00 C ATOM 878 C SER A 59 -0.039 6.392 -1.119 1.00 0.00 C ATOM 879 O SER A 59 0.258 6.863 -2.195 1.00 0.00 O ATOM 880 CB SER A 59 0.701 7.829 0.781 1.00 0.00 C ATOM 881 OG SER A 59 1.797 8.059 1.657 1.00 0.00 O ATOM 0 H SER A 59 2.417 6.708 -1.409 1.00 0.00 H new ATOM 0 HA SER A 59 0.695 5.695 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.627 8.637 0.053 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.233 7.819 1.343 1.00 0.00 H new ATOM 0 HG SER A 59 1.674 8.916 2.117 1.00 0.00 H new ATOM 887 N ILE A 60 -1.152 5.755 -0.960 1.00 0.00 N ATOM 888 CA ILE A 60 -2.041 5.615 -2.128 1.00 0.00 C ATOM 889 C ILE A 60 -3.463 6.051 -1.783 1.00 0.00 C ATOM 890 O ILE A 60 -3.876 6.068 -0.639 1.00 0.00 O ATOM 891 CB ILE A 60 -1.948 4.169 -2.632 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.816 3.235 -1.786 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.486 3.708 -2.519 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.632 1.795 -2.278 1.00 0.00 C ATOM 0 H ILE A 60 -1.480 5.333 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.727 6.274 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.297 4.134 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.537 3.312 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.864 3.526 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.400 2.681 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.148 4.355 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.167 3.761 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.248 1.124 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.932 1.727 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.585 1.509 -2.182 1.00 0.00 H new ATOM 906 N PHE A 61 -4.168 6.501 -2.781 1.00 0.00 N ATOM 907 CA PHE A 61 -5.531 7.063 -2.577 1.00 0.00 C ATOM 908 C PHE A 61 -6.662 6.088 -2.903 1.00 0.00 C ATOM 909 O PHE A 61 -6.520 5.185 -3.699 1.00 0.00 O ATOM 910 CB PHE A 61 -5.647 8.253 -3.509 1.00 0.00 C ATOM 911 CG PHE A 61 -5.341 9.495 -2.746 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.087 9.648 -2.161 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.308 10.485 -2.620 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.791 10.801 -1.444 1.00 0.00 C ATOM 915 CE2 PHE A 61 -6.025 11.644 -1.905 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.761 11.809 -1.312 1.00 0.00 C ATOM 0 H PHE A 61 -3.850 6.503 -3.750 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.640 7.315 -1.522 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.957 8.145 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.651 8.306 -3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.344 8.871 -2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.278 10.355 -3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.819 10.922 -0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.774 12.415 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.536 12.708 -0.757 1.00 0.00 H new ATOM 926 N PHE A 62 -7.808 6.326 -2.301 1.00 0.00 N ATOM 927 CA PHE A 62 -9.019 5.490 -2.557 1.00 0.00 C ATOM 928 C PHE A 62 -10.257 6.400 -2.620 1.00 0.00 C ATOM 929 O PHE A 62 -11.263 6.082 -2.019 1.00 0.00 O ATOM 930 CB PHE A 62 -9.285 4.519 -1.404 1.00 0.00 C ATOM 931 CG PHE A 62 -8.128 3.592 -1.135 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.859 4.096 -0.835 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.346 2.209 -1.151 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.806 3.216 -0.560 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.297 1.331 -0.873 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.026 1.833 -0.580 1.00 0.00 C ATOM 0 H PHE A 62 -7.952 7.081 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.842 4.947 -3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.505 5.088 -0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.172 3.928 -1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.691 5.163 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.328 1.821 -1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.824 3.603 -0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.467 0.265 -0.884 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.213 1.154 -0.369 1.00 0.00 H new ATOM 946 N PRO A 63 -10.170 7.492 -3.333 1.00 0.00 N ATOM 947 CA PRO A 63 -11.303 8.428 -3.467 1.00 0.00 C ATOM 948 C PRO A 63 -12.455 7.739 -4.195 1.00 0.00 C ATOM 949 O PRO A 63 -13.576 8.206 -4.205 1.00 0.00 O ATOM 950 CB PRO A 63 -10.715 9.601 -4.257 1.00 0.00 C ATOM 951 CG PRO A 63 -9.467 9.041 -4.967 1.00 0.00 C ATOM 952 CD PRO A 63 -8.969 7.893 -4.077 1.00 0.00 C ATOM 0 HA PRO A 63 -11.721 8.764 -2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.435 9.988 -4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.452 10.426 -3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.712 8.684 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.702 9.809 -5.081 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.570 7.070 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.173 8.220 -3.408 1.00 0.00 H new ATOM 960 N SER A 64 -12.180 6.611 -4.774 1.00 0.00 N ATOM 961 CA SER A 64 -13.242 5.843 -5.477 1.00 0.00 C ATOM 962 C SER A 64 -13.315 4.440 -4.864 1.00 0.00 C ATOM 963 O SER A 64 -13.260 3.448 -5.563 1.00 0.00 O ATOM 964 CB SER A 64 -12.900 5.733 -6.964 1.00 0.00 C ATOM 965 OG SER A 64 -12.383 6.977 -7.419 1.00 0.00 O ATOM 0 H SER A 64 -11.255 6.181 -4.792 1.00 0.00 H new ATOM 0 HA SER A 64 -14.201 6.350 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.168 4.941 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.789 5.465 -7.535 1.00 0.00 H new ATOM 0 HG SER A 64 -12.161 6.910 -8.371 1.00 0.00 H new ATOM 971 N ALA A 65 -13.423 4.343 -3.560 1.00 0.00 N ATOM 972 CA ALA A 65 -13.478 2.996 -2.922 1.00 0.00 C ATOM 973 C ALA A 65 -14.924 2.532 -2.777 1.00 0.00 C ATOM 974 O ALA A 65 -15.818 3.307 -2.476 1.00 0.00 O ATOM 975 CB ALA A 65 -12.834 3.045 -1.540 1.00 0.00 C ATOM 0 H ALA A 65 -13.475 5.133 -2.917 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.936 2.296 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.879 2.057 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.793 3.354 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.369 3.759 -0.914 1.00 0.00 H new ATOM 981 N LYS A 66 -15.145 1.260 -2.976 1.00 0.00 N ATOM 982 CA LYS A 66 -16.517 0.696 -2.854 1.00 0.00 C ATOM 983 C LYS A 66 -16.433 -0.754 -2.375 1.00 0.00 C ATOM 984 O LYS A 66 -15.362 -1.295 -2.184 1.00 0.00 O ATOM 985 CB LYS A 66 -17.212 0.743 -4.216 1.00 0.00 C ATOM 986 CG LYS A 66 -16.909 2.079 -4.898 1.00 0.00 C ATOM 987 CD LYS A 66 -17.580 2.114 -6.273 1.00 0.00 C ATOM 988 CE LYS A 66 -16.515 1.998 -7.365 1.00 0.00 C ATOM 989 NZ LYS A 66 -17.050 2.552 -8.641 1.00 0.00 N ATOM 0 H LYS A 66 -14.424 0.582 -3.221 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.087 1.284 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.869 -0.082 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.288 0.622 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.271 2.903 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.832 2.209 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.296 1.297 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.139 3.042 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.616 2.539 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.230 0.955 -7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.326 2.473 -9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.896 2.017 -8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.301 3.552 -8.507 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.556 -1.387 -2.176 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.544 -2.802 -1.706 1.00 0.00 C ATOM 1005 C ARG A 67 -16.520 -3.600 -2.515 1.00 0.00 C ATOM 1006 O ARG A 67 -15.820 -4.443 -1.989 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.931 -3.420 -1.892 1.00 0.00 C ATOM 1008 CG ARG A 67 -20.007 -2.405 -1.501 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.562 -1.739 -2.762 1.00 0.00 C ATOM 1010 NE ARG A 67 -22.051 -1.756 -2.718 1.00 0.00 N ATOM 1011 CZ ARG A 67 -22.738 -1.296 -3.728 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -23.021 -2.076 -4.735 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -23.141 -0.055 -3.730 1.00 0.00 N ATOM 0 H ARG A 67 -18.483 -0.986 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.276 -2.828 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.067 -3.726 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.025 -4.317 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -20.810 -2.902 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.587 -1.652 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.201 -0.713 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.208 -2.264 -3.649 1.00 0.00 H new ATOM 0 HE ARG A 67 -22.533 -2.127 -1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -22.705 -3.046 -4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.558 -1.716 -5.524 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -22.919 0.555 -2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.678 0.306 -4.519 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.433 -3.347 -3.792 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.463 -4.092 -4.636 1.00 0.00 C ATOM 1029 C ALA A 68 -14.044 -3.887 -4.099 1.00 0.00 C ATOM 1030 O ALA A 68 -13.271 -4.818 -3.990 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.541 -3.576 -6.074 1.00 0.00 C ATOM 0 H ALA A 68 -16.995 -2.654 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.707 -5.154 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.830 -4.121 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.549 -3.725 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.299 -2.513 -6.093 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.695 -2.675 -3.765 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.325 -2.409 -3.240 1.00 0.00 C ATOM 1039 C ASP A 69 -12.071 -3.277 -2.007 1.00 0.00 C ATOM 1040 O ASP A 69 -10.942 -3.530 -1.637 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.204 -0.933 -2.856 1.00 0.00 C ATOM 1042 CG ASP A 69 -10.756 -0.475 -3.037 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -10.362 -0.262 -4.172 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.066 -0.347 -2.039 1.00 0.00 O ATOM 0 H ASP A 69 -14.300 -1.856 -3.833 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.590 -2.648 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.867 -0.330 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.515 -0.789 -1.821 1.00 0.00 H new ATOM 1049 N SER A 70 -13.112 -3.734 -1.367 1.00 0.00 N ATOM 1050 CA SER A 70 -12.930 -4.583 -0.156 1.00 0.00 C ATOM 1051 C SER A 70 -11.979 -5.737 -0.479 1.00 0.00 C ATOM 1052 O SER A 70 -12.397 -6.801 -0.891 1.00 0.00 O ATOM 1053 CB SER A 70 -14.284 -5.146 0.279 1.00 0.00 C ATOM 1054 OG SER A 70 -14.647 -6.215 -0.584 1.00 0.00 O ATOM 0 H SER A 70 -14.081 -3.556 -1.630 1.00 0.00 H new ATOM 0 HA SER A 70 -12.510 -3.981 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.231 -5.497 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.043 -4.364 0.248 1.00 0.00 H new ATOM 0 HG SER A 70 -15.382 -5.930 -1.167 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.703 -5.537 -0.296 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.730 -6.623 -0.593 1.00 0.00 C ATOM 1062 C GLY A 71 -8.495 -6.468 0.296 1.00 0.00 C ATOM 1063 O GLY A 71 -8.426 -5.596 1.143 1.00 0.00 O ATOM 0 H GLY A 71 -10.293 -4.668 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.193 -7.595 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.440 -6.587 -1.643 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.515 -7.307 0.108 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.285 -7.209 0.938 1.00 0.00 C ATOM 1069 C ASN A 72 -5.242 -6.377 0.195 1.00 0.00 C ATOM 1070 O ASN A 72 -4.560 -6.862 -0.685 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.728 -8.610 1.198 1.00 0.00 C ATOM 1072 CG ASN A 72 -4.532 -8.516 2.147 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -4.446 -7.605 2.945 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -3.599 -9.426 2.093 1.00 0.00 N ATOM 0 H ASN A 72 -7.514 -8.056 -0.585 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.524 -6.734 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.500 -9.245 1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.425 -9.072 0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.797 -9.372 2.721 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.671 -10.191 1.423 1.00 0.00 H new ATOM 1081 N TYR A 73 -5.104 -5.129 0.546 1.00 0.00 N ATOM 1082 CA TYR A 73 -4.097 -4.277 -0.137 1.00 0.00 C ATOM 1083 C TYR A 73 -2.718 -4.622 0.415 1.00 0.00 C ATOM 1084 O TYR A 73 -2.356 -4.215 1.498 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.424 -2.804 0.116 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.450 -2.365 -0.899 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.545 -3.189 -1.180 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.296 -1.150 -1.576 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.489 -2.799 -2.135 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.238 -0.762 -2.536 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.336 -1.586 -2.815 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.264 -1.205 -3.761 1.00 0.00 O ATOM 0 H TYR A 73 -5.645 -4.665 1.275 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.111 -4.455 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.808 -2.669 1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.523 -2.196 0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.661 -4.128 -0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.452 -0.513 -1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.336 -3.434 -2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.118 0.174 -3.062 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.649 -2.002 -4.181 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.952 -5.386 -0.314 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.604 -5.776 0.184 1.00 0.00 C ATOM 1104 C LYS A 74 0.468 -5.015 -0.586 1.00 0.00 C ATOM 1105 O LYS A 74 0.588 -5.137 -1.786 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.401 -7.280 -0.013 1.00 0.00 C ATOM 1107 CG LYS A 74 0.259 -7.872 1.233 1.00 0.00 C ATOM 1108 CD LYS A 74 1.480 -8.696 0.822 1.00 0.00 C ATOM 1109 CE LYS A 74 1.744 -9.775 1.874 1.00 0.00 C ATOM 1110 NZ LYS A 74 1.457 -9.228 3.230 1.00 0.00 N ATOM 0 H LYS A 74 -2.201 -5.756 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.528 -5.534 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.359 -7.766 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.222 -7.462 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.558 -7.074 1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.452 -8.499 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.311 -9.156 -0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.352 -8.049 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.118 -10.646 1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.780 -10.108 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.898 -9.836 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.844 -8.266 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.429 -9.200 3.383 1.00 0.00 H new ATOM 1124 N LEU A 75 1.251 -4.232 0.099 1.00 0.00 N ATOM 1125 CA LEU A 75 2.318 -3.458 -0.589 1.00 0.00 C ATOM 1126 C LEU A 75 3.658 -4.165 -0.387 1.00 0.00 C ATOM 1127 O LEU A 75 3.953 -4.664 0.679 1.00 0.00 O ATOM 1128 CB LEU A 75 2.368 -2.050 0.010 1.00 0.00 C ATOM 1129 CG LEU A 75 3.691 -1.363 -0.327 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.435 -0.146 -1.212 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.353 -0.909 0.971 1.00 0.00 C ATOM 0 H LEU A 75 1.198 -4.095 1.108 1.00 0.00 H new ATOM 0 HA LEU A 75 2.110 -3.389 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.537 -1.457 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.247 -2.106 1.092 1.00 0.00 H new ATOM 0 HG LEU A 75 4.339 -2.060 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.383 0.338 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.950 -0.463 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.789 0.557 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.299 -0.417 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.696 -0.211 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.538 -1.775 1.607 1.00 0.00 H new ATOM 1143 N LYS A 76 4.473 -4.205 -1.405 1.00 0.00 N ATOM 1144 CA LYS A 76 5.796 -4.874 -1.269 1.00 0.00 C ATOM 1145 C LYS A 76 6.878 -3.980 -1.875 1.00 0.00 C ATOM 1146 O LYS A 76 6.901 -3.741 -3.066 1.00 0.00 O ATOM 1147 CB LYS A 76 5.772 -6.214 -2.009 1.00 0.00 C ATOM 1148 CG LYS A 76 4.910 -7.213 -1.235 1.00 0.00 C ATOM 1149 CD LYS A 76 4.485 -8.349 -2.167 1.00 0.00 C ATOM 1150 CE LYS A 76 5.716 -8.914 -2.878 1.00 0.00 C ATOM 1151 NZ LYS A 76 5.296 -9.988 -3.820 1.00 0.00 N ATOM 0 H LYS A 76 4.280 -3.804 -2.323 1.00 0.00 H new ATOM 0 HA LYS A 76 6.010 -5.047 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.375 -6.078 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.786 -6.600 -2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.469 -7.612 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.031 -6.713 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.989 -9.135 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.765 -7.983 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.232 -8.121 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.421 -9.311 -2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.133 -10.372 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.822 -10.748 -3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.639 -9.595 -4.524 1.00 0.00 H new ATOM 1165 N VAL A 77 7.781 -3.488 -1.071 1.00 0.00 N ATOM 1166 CA VAL A 77 8.858 -2.620 -1.620 1.00 0.00 C ATOM 1167 C VAL A 77 10.182 -3.382 -1.550 1.00 0.00 C ATOM 1168 O VAL A 77 10.371 -4.233 -0.706 1.00 0.00 O ATOM 1169 CB VAL A 77 8.921 -1.290 -0.835 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.550 -0.986 -0.233 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.953 -1.353 0.297 1.00 0.00 C ATOM 0 H VAL A 77 7.819 -3.649 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 77 8.652 -2.371 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 77 9.217 -0.506 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.595 -0.048 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.813 -0.901 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.262 -1.792 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.970 -0.401 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.684 -2.150 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.940 -1.553 -0.121 1.00 0.00 H new ATOM 1181 N LYS A 78 11.088 -3.109 -2.442 1.00 0.00 N ATOM 1182 CA LYS A 78 12.380 -3.849 -2.426 1.00 0.00 C ATOM 1183 C LYS A 78 13.543 -2.902 -2.731 1.00 0.00 C ATOM 1184 O LYS A 78 13.373 -1.855 -3.328 1.00 0.00 O ATOM 1185 CB LYS A 78 12.339 -4.957 -3.481 1.00 0.00 C ATOM 1186 CG LYS A 78 13.740 -5.543 -3.668 1.00 0.00 C ATOM 1187 CD LYS A 78 13.638 -6.905 -4.360 1.00 0.00 C ATOM 1188 CE LYS A 78 13.143 -7.951 -3.359 1.00 0.00 C ATOM 1189 NZ LYS A 78 12.511 -9.082 -4.095 1.00 0.00 N ATOM 0 H LYS A 78 10.993 -2.410 -3.179 1.00 0.00 H new ATOM 0 HA LYS A 78 12.528 -4.280 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.645 -5.739 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.972 -4.559 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.352 -4.866 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.232 -5.651 -2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.954 -6.844 -5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.611 -7.197 -4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.975 -8.315 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.424 -7.502 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.174 -9.793 -3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.707 -8.728 -4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.210 -9.515 -4.732 1.00 0.00 H new ATOM 1203 N ASN A 79 14.727 -3.277 -2.327 1.00 0.00 N ATOM 1204 CA ASN A 79 15.922 -2.429 -2.587 1.00 0.00 C ATOM 1205 C ASN A 79 17.124 -3.340 -2.831 1.00 0.00 C ATOM 1206 O ASN A 79 17.085 -4.522 -2.552 1.00 0.00 O ATOM 1207 CB ASN A 79 16.196 -1.536 -1.377 1.00 0.00 C ATOM 1208 CG ASN A 79 16.914 -0.266 -1.834 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.283 0.716 -2.172 1.00 0.00 O ATOM 1210 ND2 ASN A 79 18.219 -0.243 -1.858 1.00 0.00 N ATOM 0 H ASN A 79 14.917 -4.143 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 79 15.746 -1.800 -3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.260 -1.279 -0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.806 -2.070 -0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.709 0.599 -2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.749 -1.067 -1.574 1.00 0.00 H new ATOM 1217 N GLU A 80 18.191 -2.810 -3.352 1.00 0.00 N ATOM 1218 CA GLU A 80 19.378 -3.665 -3.613 1.00 0.00 C ATOM 1219 C GLU A 80 19.872 -4.284 -2.306 1.00 0.00 C ATOM 1220 O GLU A 80 19.933 -3.637 -1.279 1.00 0.00 O ATOM 1221 CB GLU A 80 20.494 -2.828 -4.227 1.00 0.00 C ATOM 1222 CG GLU A 80 21.050 -1.864 -3.177 1.00 0.00 C ATOM 1223 CD GLU A 80 22.046 -0.909 -3.837 1.00 0.00 C ATOM 1224 OE1 GLU A 80 21.821 -0.545 -4.979 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.017 -0.558 -3.188 1.00 0.00 O ATOM 0 H GLU A 80 18.293 -1.828 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 80 19.095 -4.458 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.288 -3.477 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.115 -2.270 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.237 -1.300 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.539 -2.422 -2.379 1.00 0.00 H new ATOM 1232 N LEU A 81 20.228 -5.535 -2.346 1.00 0.00 N ATOM 1233 CA LEU A 81 20.727 -6.219 -1.122 1.00 0.00 C ATOM 1234 C LEU A 81 19.760 -5.974 0.036 1.00 0.00 C ATOM 1235 O LEU A 81 20.124 -6.070 1.191 1.00 0.00 O ATOM 1236 CB LEU A 81 22.108 -5.670 -0.757 1.00 0.00 C ATOM 1237 CG LEU A 81 23.157 -6.770 -0.926 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.809 -7.953 -0.021 1.00 0.00 C ATOM 1239 CD2 LEU A 81 23.178 -7.234 -2.384 1.00 0.00 C ATOM 0 H LEU A 81 20.195 -6.119 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 81 20.799 -7.290 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.352 -4.819 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 81 22.107 -5.309 0.271 1.00 0.00 H new ATOM 0 HG LEU A 81 24.138 -6.380 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 81 23.557 -8.736 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.793 -7.624 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.828 -8.343 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.925 -8.018 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 81 22.197 -7.623 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 81 23.427 -6.392 -3.030 1.00 0.00 H new ATOM 1251 N GLY A 82 18.529 -5.656 -0.259 1.00 0.00 N ATOM 1252 CA GLY A 82 17.551 -5.407 0.842 1.00 0.00 C ATOM 1253 C GLY A 82 16.121 -5.444 0.299 1.00 0.00 C ATOM 1254 O GLY A 82 15.899 -5.607 -0.883 1.00 0.00 O ATOM 0 H GLY A 82 18.159 -5.558 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.671 -6.159 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.748 -4.438 1.301 1.00 0.00 H new ATOM 1258 N GLU A 83 15.148 -5.289 1.158 1.00 0.00 N ATOM 1259 CA GLU A 83 13.732 -5.310 0.692 1.00 0.00 C ATOM 1260 C GLU A 83 12.786 -5.293 1.895 1.00 0.00 C ATOM 1261 O GLU A 83 13.029 -5.931 2.901 1.00 0.00 O ATOM 1262 CB GLU A 83 13.479 -6.574 -0.131 1.00 0.00 C ATOM 1263 CG GLU A 83 13.957 -7.799 0.651 1.00 0.00 C ATOM 1264 CD GLU A 83 13.405 -9.067 -0.002 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.461 -8.953 -0.767 1.00 0.00 O ATOM 1266 OE2 GLU A 83 13.934 -10.131 0.275 1.00 0.00 O ATOM 0 H GLU A 83 15.273 -5.149 2.161 1.00 0.00 H new ATOM 0 HA GLU A 83 13.549 -4.429 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.417 -6.666 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.004 -6.511 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.046 -7.831 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.623 -7.736 1.687 1.00 0.00 H new ATOM 1273 N ASP A 84 11.703 -4.570 1.794 1.00 0.00 N ATOM 1274 CA ASP A 84 10.729 -4.510 2.921 1.00 0.00 C ATOM 1275 C ASP A 84 9.307 -4.677 2.373 1.00 0.00 C ATOM 1276 O ASP A 84 9.086 -4.654 1.178 1.00 0.00 O ATOM 1277 CB ASP A 84 10.853 -3.160 3.631 1.00 0.00 C ATOM 1278 CG ASP A 84 11.047 -3.391 5.131 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.223 -4.075 5.716 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.016 -2.882 5.669 1.00 0.00 O ATOM 0 H ASP A 84 11.450 -4.016 0.976 1.00 0.00 H new ATOM 0 HA ASP A 84 10.940 -5.310 3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.696 -2.600 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.959 -2.561 3.457 1.00 0.00 H new ATOM 1285 N GLU A 85 8.339 -4.853 3.231 1.00 0.00 N ATOM 1286 CA GLU A 85 6.943 -5.030 2.740 1.00 0.00 C ATOM 1287 C GLU A 85 5.948 -4.657 3.841 1.00 0.00 C ATOM 1288 O GLU A 85 6.208 -4.833 5.015 1.00 0.00 O ATOM 1289 CB GLU A 85 6.735 -6.493 2.340 1.00 0.00 C ATOM 1290 CG GLU A 85 5.272 -6.722 1.958 1.00 0.00 C ATOM 1291 CD GLU A 85 4.946 -8.213 2.056 1.00 0.00 C ATOM 1292 OE1 GLU A 85 5.692 -9.000 1.497 1.00 0.00 O ATOM 1293 OE2 GLU A 85 3.956 -8.543 2.687 1.00 0.00 O ATOM 0 H GLU A 85 8.453 -4.882 4.244 1.00 0.00 H new ATOM 0 HA GLU A 85 6.778 -4.382 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.383 -6.746 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.012 -7.148 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.619 -6.152 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.090 -6.365 0.944 1.00 0.00 H new ATOM 1300 N ALA A 86 4.806 -4.147 3.466 1.00 0.00 N ATOM 1301 CA ALA A 86 3.784 -3.765 4.481 1.00 0.00 C ATOM 1302 C ALA A 86 2.433 -4.371 4.089 1.00 0.00 C ATOM 1303 O ALA A 86 1.991 -4.252 2.961 1.00 0.00 O ATOM 1304 CB ALA A 86 3.665 -2.241 4.537 1.00 0.00 C ATOM 0 H ALA A 86 4.537 -3.978 2.497 1.00 0.00 H new ATOM 0 HA ALA A 86 4.082 -4.139 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.917 -1.961 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.628 -1.811 4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.365 -1.863 3.560 1.00 0.00 H new ATOM 1310 N ILE A 87 1.777 -5.026 5.009 1.00 0.00 N ATOM 1311 CA ILE A 87 0.459 -5.644 4.688 1.00 0.00 C ATOM 1312 C ILE A 87 -0.668 -4.665 5.027 1.00 0.00 C ATOM 1313 O ILE A 87 -0.760 -4.164 6.129 1.00 0.00 O ATOM 1314 CB ILE A 87 0.285 -6.926 5.505 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.155 -7.426 5.368 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.587 -6.641 6.977 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -1.373 -8.618 6.301 1.00 0.00 C ATOM 0 H ILE A 87 2.097 -5.160 5.968 1.00 0.00 H new ATOM 0 HA ILE A 87 0.421 -5.881 3.625 1.00 0.00 H new ATOM 0 HB ILE A 87 0.972 -7.687 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.854 -6.626 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.353 -7.717 4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.463 -7.555 7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.613 -6.285 7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.099 -5.879 7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.399 -8.974 6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.684 -9.419 6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.192 -8.312 7.331 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.528 -4.395 4.084 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.654 -3.453 4.345 1.00 0.00 C ATOM 1331 C PHE A 88 -3.975 -4.096 3.909 1.00 0.00 C ATOM 1332 O PHE A 88 -4.378 -3.995 2.767 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.445 -2.159 3.551 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.108 -1.548 3.896 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.917 -0.931 5.138 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.059 -1.592 2.970 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.321 -0.360 5.454 1.00 0.00 C ATOM 1338 CE2 PHE A 88 1.180 -1.021 3.287 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.369 -0.406 4.529 1.00 0.00 C ATOM 0 H PHE A 88 -1.500 -4.786 3.142 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.686 -3.227 5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.493 -2.367 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.245 -1.453 3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.726 -0.896 5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.205 -2.066 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.467 0.116 6.412 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.989 -1.056 2.573 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.325 0.034 4.774 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.662 -4.744 4.809 1.00 0.00 N ATOM 1350 CA GLU A 89 -5.960 -5.374 4.436 1.00 0.00 C ATOM 1351 C GLU A 89 -7.030 -4.285 4.400 1.00 0.00 C ATOM 1352 O GLU A 89 -7.374 -3.710 5.412 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.335 -6.431 5.478 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.409 -7.357 4.904 1.00 0.00 C ATOM 1355 CD GLU A 89 -6.865 -8.785 4.830 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -5.888 -9.061 5.506 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -7.435 -9.577 4.098 1.00 0.00 O ATOM 0 H GLU A 89 -4.382 -4.864 5.783 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.880 -5.853 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.454 -7.009 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.702 -5.949 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.301 -7.328 5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.705 -7.017 3.911 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.547 -3.976 3.243 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.572 -2.900 3.163 1.00 0.00 C ATOM 1366 C VAL A 90 -9.959 -3.503 2.954 1.00 0.00 C ATOM 1367 O VAL A 90 -10.186 -4.268 2.039 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.231 -1.970 1.997 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.170 -0.763 2.014 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.784 -1.492 2.140 1.00 0.00 C ATOM 0 H VAL A 90 -7.306 -4.419 2.356 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.576 -2.337 4.096 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.349 -2.506 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.927 -0.101 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.201 -1.103 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.053 -0.224 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.536 -0.829 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.670 -0.955 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.114 -2.352 2.129 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.893 -3.152 3.795 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.272 -3.690 3.646 1.00 0.00 C ATOM 1382 C ILE A 91 -13.220 -2.542 3.299 1.00 0.00 C ATOM 1383 O ILE A 91 -12.861 -1.384 3.383 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.719 -4.336 4.955 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.811 -5.525 5.277 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.160 -4.820 4.803 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -10.484 -5.017 5.845 1.00 0.00 C ATOM 0 H ILE A 91 -10.759 -2.515 4.580 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.287 -4.438 2.853 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.657 -3.609 5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.298 -6.183 5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.632 -6.113 4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.488 -5.283 5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.806 -3.973 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.215 -5.550 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.838 -5.865 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.995 -4.376 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.672 -4.448 6.755 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.424 -2.846 2.898 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.375 -1.763 2.537 1.00 0.00 C ATOM 1401 C VAL A 92 -16.747 -2.041 3.150 1.00 0.00 C ATOM 1402 O VAL A 92 -17.262 -3.139 3.077 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.484 -1.706 1.020 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.249 -0.451 0.596 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.073 -1.676 0.440 1.00 0.00 C ATOM 0 H VAL A 92 -14.787 -3.795 2.806 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.015 -0.809 2.922 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.023 -2.578 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.322 -0.419 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.250 -0.472 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.721 0.434 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.128 -1.635 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.546 -0.797 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.536 -2.575 0.743 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.343 -1.049 3.755 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.683 -1.251 4.375 1.00 0.00 C ATOM 1417 C GLN A 93 -19.601 -0.085 4.001 1.00 0.00 C ATOM 1418 O GLN A 93 -20.807 -0.260 4.071 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.538 -1.318 5.897 1.00 0.00 C ATOM 1420 CG GLN A 93 -18.625 -2.775 6.356 1.00 0.00 C ATOM 1421 CD GLN A 93 -18.802 -2.824 7.874 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -17.858 -3.065 8.600 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -19.981 -2.605 8.388 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.082 0.962 3.650 1.00 0.00 O ATOM 0 H GLN A 93 -16.960 -0.108 3.846 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.113 -2.184 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.584 -0.886 6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.321 -0.728 6.374 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -19.462 -3.272 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -17.722 -3.312 6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -20.773 -2.403 7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -20.110 -2.636 9.399 1.00 0.00 H new