USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 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 35 THR OG1 : rot -160:sc= -0.363 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 177:sc= -4.35! (180deg=-4.54!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -168:sc= -0.0228 (180deg=-0.0297) USER MOD Set 2.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 164:sc= -0.557! USER MOD Single : A 9 SER OG : rot 68:sc= 0.991 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 26:sc= 0.51 USER MOD Single : A 20 HIS : no HE2:sc= -15.2! C(o=-15!,f=-21!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 60:sc= 0.949 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.198 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -2:sc= -2.57! USER MOD Single : A 58 THR OG1 : rot 176:sc= -5.59! USER MOD Single : A 59 SER OG : rot 180:sc= 0 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 180:sc= -0.02 USER MOD Single : A 72 ASN : amide:sc= -0.228 K(o=-0.23,f=-0.91) USER MOD Single : A 73 TYR OH : rot 78:sc= 1.05 USER MOD Single : A 74 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= -16.2! C(o=-16!,f=-27!) USER MOD Single : A 93 GLN : amide:sc= -0.0424 K(o=-0.042,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 19.100 -0.618 2.519 1.00 0.00 N ATOM 23 CA LYS A 2 18.036 -1.659 2.604 1.00 0.00 C ATOM 24 C LYS A 2 16.886 -1.140 3.471 1.00 0.00 C ATOM 25 O LYS A 2 17.109 -0.569 4.520 1.00 0.00 O ATOM 26 CB LYS A 2 18.613 -2.930 3.231 1.00 0.00 C ATOM 27 CG LYS A 2 19.483 -2.558 4.433 1.00 0.00 C ATOM 28 CD LYS A 2 19.678 -3.787 5.323 1.00 0.00 C ATOM 29 CE LYS A 2 20.286 -4.923 4.498 1.00 0.00 C ATOM 30 NZ LYS A 2 21.483 -5.463 5.202 1.00 0.00 N ATOM 0 HA LYS A 2 17.666 -1.884 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.806 -3.592 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.205 -3.475 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.449 -2.185 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.013 -1.756 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.331 -3.542 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.722 -4.100 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.550 -5.714 4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.566 -4.559 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.896 -6.235 4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.187 -4.706 5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.203 -5.825 6.136 1.00 0.00 H new ATOM 44 N PRO A 3 15.688 -1.350 2.996 1.00 0.00 N ATOM 45 CA PRO A 3 14.568 -0.423 3.219 1.00 0.00 C ATOM 46 C PRO A 3 14.003 -0.600 4.630 1.00 0.00 C ATOM 47 O PRO A 3 13.802 -1.705 5.094 1.00 0.00 O ATOM 48 CB PRO A 3 13.539 -0.841 2.167 1.00 0.00 C ATOM 49 CG PRO A 3 13.870 -2.303 1.792 1.00 0.00 C ATOM 50 CD PRO A 3 15.341 -2.536 2.192 1.00 0.00 C ATOM 0 HA PRO A 3 14.856 0.625 3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.526 -0.761 2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.593 -0.194 1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.211 -2.996 2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.727 -2.472 0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.457 -3.455 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.983 -2.625 1.316 1.00 0.00 H new ATOM 58 N LYS A 4 13.741 0.478 5.313 1.00 0.00 N ATOM 59 CA LYS A 4 13.183 0.365 6.688 1.00 0.00 C ATOM 60 C LYS A 4 11.680 0.630 6.636 1.00 0.00 C ATOM 61 O LYS A 4 11.224 1.711 6.950 1.00 0.00 O ATOM 62 CB LYS A 4 13.852 1.396 7.600 1.00 0.00 C ATOM 63 CG LYS A 4 14.659 0.675 8.681 1.00 0.00 C ATOM 64 CD LYS A 4 16.031 1.338 8.822 1.00 0.00 C ATOM 65 CE LYS A 4 17.043 0.314 9.339 1.00 0.00 C ATOM 66 NZ LYS A 4 18.423 0.848 9.166 1.00 0.00 N ATOM 0 H LYS A 4 13.889 1.431 4.980 1.00 0.00 H new ATOM 0 HA LYS A 4 13.369 -0.635 7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.505 2.044 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.097 2.034 8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.127 0.711 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.777 -0.377 8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.357 1.732 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.970 2.183 9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.854 0.099 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.935 -0.626 8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.111 0.152 9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.600 1.032 8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.522 1.734 9.702 1.00 0.00 H new ATOM 80 N ILE A 5 10.907 -0.345 6.234 1.00 0.00 N ATOM 81 CA ILE A 5 9.433 -0.139 6.157 1.00 0.00 C ATOM 82 C ILE A 5 8.801 -0.413 7.524 1.00 0.00 C ATOM 83 O ILE A 5 8.810 -1.523 8.018 1.00 0.00 O ATOM 84 CB ILE A 5 8.829 -1.070 5.096 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.447 -0.544 4.698 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.689 -2.487 5.657 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.322 -0.522 3.175 1.00 0.00 C ATOM 0 H ILE A 5 11.232 -1.271 5.957 1.00 0.00 H new ATOM 0 HA ILE A 5 9.229 0.893 5.873 1.00 0.00 H new ATOM 0 HB ILE A 5 9.484 -1.096 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.670 -1.176 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.300 0.459 5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.260 -3.139 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.671 -2.863 5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.037 -2.470 6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.337 -0.147 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.090 0.129 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.450 -1.532 2.785 1.00 0.00 H new ATOM 99 N LEU A 6 8.250 0.597 8.139 1.00 0.00 N ATOM 100 CA LEU A 6 7.613 0.405 9.470 1.00 0.00 C ATOM 101 C LEU A 6 6.093 0.403 9.303 1.00 0.00 C ATOM 102 O LEU A 6 5.460 -0.632 9.348 1.00 0.00 O ATOM 103 CB LEU A 6 8.026 1.545 10.403 1.00 0.00 C ATOM 104 CG LEU A 6 9.073 1.035 11.395 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.470 1.204 10.795 1.00 0.00 C ATOM 106 CD2 LEU A 6 8.976 1.838 12.694 1.00 0.00 C ATOM 0 H LEU A 6 8.214 1.549 7.775 1.00 0.00 H new ATOM 0 HA LEU A 6 7.935 -0.544 9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.431 2.375 9.824 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.156 1.925 10.939 1.00 0.00 H new ATOM 0 HG LEU A 6 8.893 -0.020 11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.216 0.841 11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.540 0.634 9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.651 2.258 10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.721 1.476 13.402 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.157 2.892 12.484 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.981 1.719 13.122 1.00 0.00 H new ATOM 118 N THR A 7 5.507 1.553 9.079 1.00 0.00 N ATOM 119 CA THR A 7 4.031 1.624 8.884 1.00 0.00 C ATOM 120 C THR A 7 3.320 0.718 9.900 1.00 0.00 C ATOM 121 O THR A 7 3.929 0.183 10.805 1.00 0.00 O ATOM 122 CB THR A 7 3.689 1.197 7.447 1.00 0.00 C ATOM 123 OG1 THR A 7 2.647 0.233 7.462 1.00 0.00 O ATOM 124 CG2 THR A 7 4.922 0.600 6.759 1.00 0.00 C ATOM 0 H THR A 7 5.992 2.448 9.023 1.00 0.00 H new ATOM 0 HA THR A 7 3.690 2.647 9.043 1.00 0.00 H new ATOM 0 HB THR A 7 3.363 2.078 6.894 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.258 0.158 6.566 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.663 0.303 5.743 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.718 1.345 6.728 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.263 -0.272 7.316 1.00 0.00 H new ATOM 132 N ALA A 8 2.031 0.550 9.771 1.00 0.00 N ATOM 133 CA ALA A 8 1.296 -0.316 10.736 1.00 0.00 C ATOM 134 C ALA A 8 0.824 -1.578 10.020 1.00 0.00 C ATOM 135 O ALA A 8 0.677 -2.629 10.612 1.00 0.00 O ATOM 136 CB ALA A 8 0.088 0.441 11.291 1.00 0.00 C ATOM 0 H ALA A 8 1.458 0.974 9.042 1.00 0.00 H new ATOM 0 HA ALA A 8 1.957 -0.588 11.559 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.447 -0.195 11.996 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.427 1.343 11.801 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.577 0.715 10.472 1.00 0.00 H new ATOM 142 N SER A 9 0.597 -1.473 8.746 1.00 0.00 N ATOM 143 CA SER A 9 0.141 -2.651 7.954 1.00 0.00 C ATOM 144 C SER A 9 -0.874 -3.465 8.759 1.00 0.00 C ATOM 145 O SER A 9 -0.650 -4.618 9.072 1.00 0.00 O ATOM 146 CB SER A 9 1.346 -3.530 7.617 1.00 0.00 C ATOM 147 OG SER A 9 1.644 -4.366 8.728 1.00 0.00 O ATOM 0 H SER A 9 0.708 -0.613 8.209 1.00 0.00 H new ATOM 0 HA SER A 9 -0.331 -2.303 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.133 -4.137 6.737 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.208 -2.908 7.374 1.00 0.00 H new ATOM 0 HG SER A 9 0.921 -5.016 8.852 1.00 0.00 H new ATOM 153 N ARG A 10 -1.993 -2.882 9.091 1.00 0.00 N ATOM 154 CA ARG A 10 -3.017 -3.636 9.867 1.00 0.00 C ATOM 155 C ARG A 10 -4.263 -3.819 9.007 1.00 0.00 C ATOM 156 O ARG A 10 -4.521 -4.883 8.476 1.00 0.00 O ATOM 157 CB ARG A 10 -3.384 -2.874 11.150 1.00 0.00 C ATOM 158 CG ARG A 10 -2.280 -1.876 11.508 1.00 0.00 C ATOM 159 CD ARG A 10 -2.787 -0.928 12.597 1.00 0.00 C ATOM 160 NE ARG A 10 -3.759 0.033 12.004 1.00 0.00 N ATOM 161 CZ ARG A 10 -4.623 0.642 12.768 1.00 0.00 C ATOM 162 NH1 ARG A 10 -5.278 -0.028 13.676 1.00 0.00 N ATOM 163 NH2 ARG A 10 -4.833 1.923 12.624 1.00 0.00 N ATOM 0 H ARG A 10 -2.242 -1.920 8.860 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.610 -4.609 10.143 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.328 -2.348 11.011 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.528 -3.577 11.970 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.394 -2.406 11.856 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.986 -1.309 10.625 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.262 -1.496 13.397 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.951 -0.388 13.043 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.749 0.215 11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.114 -1.028 13.789 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.954 0.449 14.273 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.321 2.447 11.914 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.509 2.399 13.221 1.00 0.00 H new ATOM 177 N LYS A 11 -5.030 -2.787 8.861 1.00 0.00 N ATOM 178 CA LYS A 11 -6.265 -2.882 8.035 1.00 0.00 C ATOM 179 C LYS A 11 -6.668 -1.487 7.555 1.00 0.00 C ATOM 180 O LYS A 11 -5.975 -0.517 7.788 1.00 0.00 O ATOM 181 CB LYS A 11 -7.395 -3.481 8.874 1.00 0.00 C ATOM 182 CG LYS A 11 -7.488 -2.739 10.208 1.00 0.00 C ATOM 183 CD LYS A 11 -8.806 -1.966 10.272 1.00 0.00 C ATOM 184 CE LYS A 11 -9.520 -2.280 11.588 1.00 0.00 C ATOM 185 NZ LYS A 11 -10.560 -3.322 11.351 1.00 0.00 N ATOM 0 H LYS A 11 -4.858 -1.873 9.279 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.076 -3.521 7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.340 -3.405 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.211 -4.541 9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.429 -3.447 11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.647 -2.054 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.616 -0.895 10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.440 -2.238 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.802 -2.629 12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.979 -1.377 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.178 -3.391 12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.128 -3.063 10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.100 -4.240 11.184 1.00 0.00 H new ATOM 199 N ILE A 12 -7.786 -1.378 6.886 1.00 0.00 N ATOM 200 CA ILE A 12 -8.232 -0.047 6.390 1.00 0.00 C ATOM 201 C ILE A 12 -9.754 -0.042 6.229 1.00 0.00 C ATOM 202 O ILE A 12 -10.272 -0.248 5.149 1.00 0.00 O ATOM 203 CB ILE A 12 -7.575 0.239 5.034 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.076 0.473 5.233 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.202 1.486 4.404 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.866 1.726 6.084 1.00 0.00 C ATOM 0 H ILE A 12 -8.408 -2.155 6.663 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.941 0.722 7.106 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.730 -0.615 4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.623 -0.391 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.584 0.589 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.731 1.683 3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.270 1.322 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.052 2.341 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.799 1.894 6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.305 2.587 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.345 1.592 7.054 1.00 0.00 H new ATOM 218 N LYS A 13 -10.475 0.204 7.289 1.00 0.00 N ATOM 219 CA LYS A 13 -11.961 0.238 7.181 1.00 0.00 C ATOM 220 C LYS A 13 -12.348 1.434 6.312 1.00 0.00 C ATOM 221 O LYS A 13 -12.489 2.542 6.791 1.00 0.00 O ATOM 222 CB LYS A 13 -12.575 0.393 8.574 1.00 0.00 C ATOM 223 CG LYS A 13 -12.507 -0.944 9.315 1.00 0.00 C ATOM 224 CD LYS A 13 -12.910 -0.739 10.777 1.00 0.00 C ATOM 225 CE LYS A 13 -14.284 -1.365 11.022 1.00 0.00 C ATOM 226 NZ LYS A 13 -14.219 -2.251 12.219 1.00 0.00 N ATOM 0 H LYS A 13 -10.101 0.382 8.221 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.329 -0.687 6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.040 1.159 9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.611 0.723 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.170 -1.668 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.498 -1.352 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.170 -1.192 11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.937 0.325 11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.029 -0.584 11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.596 -1.938 10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.153 -2.677 12.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.519 -3.003 12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.940 -1.692 13.050 1.00 0.00 H new ATOM 240 N ILE A 14 -12.491 1.225 5.034 1.00 0.00 N ATOM 241 CA ILE A 14 -12.834 2.357 4.131 1.00 0.00 C ATOM 242 C ILE A 14 -14.346 2.507 3.996 1.00 0.00 C ATOM 243 O ILE A 14 -15.073 1.547 3.864 1.00 0.00 O ATOM 244 CB ILE A 14 -12.224 2.099 2.756 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.734 1.783 2.938 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.402 3.343 1.886 1.00 0.00 C ATOM 247 CD1 ILE A 14 -9.976 2.028 1.633 1.00 0.00 C ATOM 0 H ILE A 14 -12.385 0.320 4.576 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.434 3.278 4.555 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.717 1.258 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.318 2.405 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.611 0.746 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.968 3.164 0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.464 3.563 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -11.901 4.190 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.920 1.800 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.382 1.387 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.085 3.072 1.340 1.00 0.00 H new ATOM 259 N LYS A 15 -14.820 3.717 4.014 1.00 0.00 N ATOM 260 CA LYS A 15 -16.280 3.948 3.872 1.00 0.00 C ATOM 261 C LYS A 15 -16.701 3.566 2.449 1.00 0.00 C ATOM 262 O LYS A 15 -16.166 4.062 1.478 1.00 0.00 O ATOM 263 CB LYS A 15 -16.568 5.424 4.137 1.00 0.00 C ATOM 264 CG LYS A 15 -16.425 5.704 5.631 1.00 0.00 C ATOM 265 CD LYS A 15 -17.575 6.597 6.099 1.00 0.00 C ATOM 266 CE LYS A 15 -17.026 7.976 6.468 1.00 0.00 C ATOM 267 NZ LYS A 15 -16.579 7.970 7.890 1.00 0.00 N ATOM 0 H LYS A 15 -14.256 4.560 4.121 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.841 3.342 4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.878 6.049 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.574 5.676 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.429 4.767 6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.470 6.190 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.323 6.689 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.072 6.149 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.192 8.234 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.793 8.736 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.206 8.908 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.385 7.742 8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.834 7.256 8.017 1.00 0.00 H new ATOM 281 N ALA A 16 -17.639 2.669 2.320 1.00 0.00 N ATOM 282 CA ALA A 16 -18.079 2.229 0.963 1.00 0.00 C ATOM 283 C ALA A 16 -18.277 3.432 0.039 1.00 0.00 C ATOM 284 O ALA A 16 -18.717 4.487 0.450 1.00 0.00 O ATOM 285 CB ALA A 16 -19.394 1.460 1.074 1.00 0.00 C ATOM 0 H ALA A 16 -18.122 2.219 3.098 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.305 1.586 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.713 1.140 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.252 0.586 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.157 2.105 1.510 1.00 0.00 H new ATOM 291 N GLY A 17 -17.956 3.264 -1.216 1.00 0.00 N ATOM 292 CA GLY A 17 -18.120 4.373 -2.197 1.00 0.00 C ATOM 293 C GLY A 17 -17.642 5.672 -1.568 1.00 0.00 C ATOM 294 O GLY A 17 -18.430 6.543 -1.253 1.00 0.00 O ATOM 0 H GLY A 17 -17.584 2.398 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.550 4.162 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.165 4.461 -2.493 1.00 0.00 H new ATOM 298 N PHE A 18 -16.363 5.815 -1.357 1.00 0.00 N ATOM 299 CA PHE A 18 -15.883 7.071 -0.721 1.00 0.00 C ATOM 300 C PHE A 18 -14.385 7.271 -1.003 1.00 0.00 C ATOM 301 O PHE A 18 -13.797 6.565 -1.801 1.00 0.00 O ATOM 302 CB PHE A 18 -16.226 6.977 0.780 1.00 0.00 C ATOM 303 CG PHE A 18 -15.028 7.096 1.688 1.00 0.00 C ATOM 304 CD1 PHE A 18 -13.880 6.331 1.465 1.00 0.00 C ATOM 305 CD2 PHE A 18 -15.095 7.953 2.790 1.00 0.00 C ATOM 306 CE1 PHE A 18 -12.799 6.427 2.344 1.00 0.00 C ATOM 307 CE2 PHE A 18 -14.017 8.048 3.667 1.00 0.00 C ATOM 308 CZ PHE A 18 -12.867 7.285 3.448 1.00 0.00 C ATOM 0 H PHE A 18 -15.643 5.132 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.372 7.954 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.939 7.763 1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.721 6.025 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -13.829 5.667 0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.984 8.542 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.910 5.839 2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.070 8.712 4.517 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.032 7.357 4.129 1.00 0.00 H new ATOM 318 N THR A 19 -13.770 8.242 -0.375 1.00 0.00 N ATOM 319 CA THR A 19 -12.320 8.498 -0.636 1.00 0.00 C ATOM 320 C THR A 19 -11.465 8.137 0.587 1.00 0.00 C ATOM 321 O THR A 19 -11.647 8.665 1.666 1.00 0.00 O ATOM 322 CB THR A 19 -12.128 9.977 -0.974 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.445 10.767 0.163 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.048 10.355 -2.136 1.00 0.00 C ATOM 0 H THR A 19 -14.207 8.866 0.304 1.00 0.00 H new ATOM 0 HA THR A 19 -12.000 7.874 -1.471 1.00 0.00 H new ATOM 0 HB THR A 19 -11.091 10.156 -1.260 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.303 10.240 0.977 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.913 11.409 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.802 9.748 -3.007 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.085 10.178 -1.851 1.00 0.00 H new ATOM 332 N HIS A 20 -10.520 7.246 0.413 1.00 0.00 N ATOM 333 CA HIS A 20 -9.627 6.842 1.545 1.00 0.00 C ATOM 334 C HIS A 20 -8.212 7.361 1.270 1.00 0.00 C ATOM 335 O HIS A 20 -7.784 7.441 0.133 1.00 0.00 O ATOM 336 CB HIS A 20 -9.579 5.311 1.629 1.00 0.00 C ATOM 337 CG HIS A 20 -9.448 4.846 3.051 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.519 4.809 3.930 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.376 4.344 3.744 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.072 4.296 5.088 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.772 3.999 5.032 1.00 0.00 N ATOM 0 H HIS A 20 -10.327 6.777 -0.472 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.007 7.255 2.479 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.484 4.892 1.189 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.738 4.939 1.044 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.472 5.115 3.733 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.377 4.233 3.350 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.690 4.142 5.960 1.00 0.00 H new ATOM 349 N ASN A 21 -7.477 7.696 2.295 1.00 0.00 N ATOM 350 CA ASN A 21 -6.085 8.188 2.084 1.00 0.00 C ATOM 351 C ASN A 21 -5.116 7.213 2.753 1.00 0.00 C ATOM 352 O ASN A 21 -4.868 7.277 3.941 1.00 0.00 O ATOM 353 CB ASN A 21 -5.915 9.583 2.692 1.00 0.00 C ATOM 354 CG ASN A 21 -7.265 10.303 2.726 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.830 10.610 1.695 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.810 10.588 3.877 1.00 0.00 N ATOM 0 H ASN A 21 -7.779 7.651 3.268 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.879 8.250 1.016 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.510 9.503 3.701 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.200 10.160 2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.709 11.068 3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.337 10.331 4.743 1.00 0.00 H new ATOM 363 N LEU A 22 -4.584 6.298 1.995 1.00 0.00 N ATOM 364 CA LEU A 22 -3.646 5.290 2.562 1.00 0.00 C ATOM 365 C LEU A 22 -2.252 5.899 2.733 1.00 0.00 C ATOM 366 O LEU A 22 -1.798 6.677 1.916 1.00 0.00 O ATOM 367 CB LEU A 22 -3.574 4.121 1.586 1.00 0.00 C ATOM 368 CG LEU A 22 -2.769 2.968 2.185 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.240 1.663 1.549 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.278 3.152 1.889 1.00 0.00 C ATOM 0 H LEU A 22 -4.761 6.204 0.995 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.998 4.959 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.581 3.781 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.114 4.447 0.653 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.918 2.947 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.674 0.830 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.301 1.520 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.081 1.705 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.716 2.324 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.121 3.173 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.934 4.090 2.324 1.00 0.00 H new ATOM 382 N GLU A 23 -1.561 5.530 3.782 1.00 0.00 N ATOM 383 CA GLU A 23 -0.188 6.070 4.006 1.00 0.00 C ATOM 384 C GLU A 23 0.737 4.947 4.495 1.00 0.00 C ATOM 385 O GLU A 23 0.295 3.963 5.054 1.00 0.00 O ATOM 386 CB GLU A 23 -0.240 7.178 5.060 1.00 0.00 C ATOM 387 CG GLU A 23 -0.542 6.565 6.429 1.00 0.00 C ATOM 388 CD GLU A 23 -0.710 7.681 7.461 1.00 0.00 C ATOM 389 OE1 GLU A 23 -1.822 8.158 7.614 1.00 0.00 O ATOM 390 OE2 GLU A 23 0.278 8.041 8.082 1.00 0.00 O ATOM 0 H GLU A 23 -1.890 4.877 4.493 1.00 0.00 H new ATOM 0 HA GLU A 23 0.196 6.474 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.710 7.711 5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.007 7.907 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.449 5.963 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.267 5.898 6.727 1.00 0.00 H new ATOM 397 N VAL A 24 2.020 5.094 4.289 1.00 0.00 N ATOM 398 CA VAL A 24 2.988 4.048 4.738 1.00 0.00 C ATOM 399 C VAL A 24 4.385 4.665 4.825 1.00 0.00 C ATOM 400 O VAL A 24 4.764 5.468 4.000 1.00 0.00 O ATOM 401 CB VAL A 24 3.006 2.894 3.729 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.257 2.031 3.936 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.765 2.029 3.929 1.00 0.00 C ATOM 0 H VAL A 24 2.442 5.899 3.826 1.00 0.00 H new ATOM 0 HA VAL A 24 2.688 3.668 5.715 1.00 0.00 H new ATOM 0 HB VAL A 24 3.016 3.305 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.259 1.214 3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.148 2.642 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.254 1.622 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.775 1.207 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.761 1.627 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.871 2.634 3.775 1.00 0.00 H new ATOM 413 N ASP A 25 5.153 4.294 5.814 1.00 0.00 N ATOM 414 CA ASP A 25 6.526 4.862 5.945 1.00 0.00 C ATOM 415 C ASP A 25 7.563 3.762 5.712 1.00 0.00 C ATOM 416 O ASP A 25 7.464 2.684 6.259 1.00 0.00 O ATOM 417 CB ASP A 25 6.705 5.439 7.351 1.00 0.00 C ATOM 418 CG ASP A 25 5.523 6.350 7.684 1.00 0.00 C ATOM 419 OD1 ASP A 25 4.669 6.516 6.828 1.00 0.00 O ATOM 420 OD2 ASP A 25 5.491 6.866 8.789 1.00 0.00 O ATOM 0 H ASP A 25 4.890 3.623 6.536 1.00 0.00 H new ATOM 0 HA ASP A 25 6.663 5.650 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.772 4.632 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.638 6.000 7.409 1.00 0.00 H new ATOM 425 N PHE A 26 8.565 4.022 4.909 1.00 0.00 N ATOM 426 CA PHE A 26 9.598 2.974 4.670 1.00 0.00 C ATOM 427 C PHE A 26 10.840 3.596 4.031 1.00 0.00 C ATOM 428 O PHE A 26 10.799 4.114 2.937 1.00 0.00 O ATOM 429 CB PHE A 26 9.016 1.867 3.775 1.00 0.00 C ATOM 430 CG PHE A 26 9.168 2.206 2.309 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.381 1.966 1.650 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.085 2.745 1.605 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.509 2.268 0.289 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.213 3.047 0.245 1.00 0.00 C ATOM 435 CZ PHE A 26 9.425 2.809 -0.413 1.00 0.00 C ATOM 0 H PHE A 26 8.710 4.903 4.416 1.00 0.00 H new ATOM 0 HA PHE A 26 9.892 2.532 5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.520 0.924 3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.961 1.724 4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.217 1.548 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.149 2.928 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.444 2.084 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.377 3.464 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.524 3.043 -1.463 1.00 0.00 H new ATOM 445 N ILE A 27 11.951 3.544 4.715 1.00 0.00 N ATOM 446 CA ILE A 27 13.199 4.133 4.150 1.00 0.00 C ATOM 447 C ILE A 27 13.804 3.158 3.141 1.00 0.00 C ATOM 448 O ILE A 27 13.379 2.026 3.031 1.00 0.00 O ATOM 449 CB ILE A 27 14.208 4.393 5.275 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.468 4.644 6.594 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.051 5.622 4.929 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.308 5.613 6.358 1.00 0.00 C ATOM 0 H ILE A 27 12.048 3.121 5.638 1.00 0.00 H new ATOM 0 HA ILE A 27 12.962 5.076 3.656 1.00 0.00 H new ATOM 0 HB ILE A 27 14.853 3.521 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 27 13.092 3.703 6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.154 5.056 7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 27 15.769 5.808 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.585 5.446 3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 27 14.401 6.489 4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.784 5.789 7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.695 6.558 5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.617 5.184 5.632 1.00 0.00 H new ATOM 464 N GLY A 28 14.792 3.587 2.403 1.00 0.00 N ATOM 465 CA GLY A 28 15.424 2.682 1.401 1.00 0.00 C ATOM 466 C GLY A 28 16.086 3.517 0.302 1.00 0.00 C ATOM 467 O GLY A 28 15.662 4.617 0.007 1.00 0.00 O ATOM 0 H GLY A 28 15.189 4.525 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.165 2.047 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.673 2.021 0.968 1.00 0.00 H new ATOM 471 N ALA A 29 17.124 3.008 -0.305 1.00 0.00 N ATOM 472 CA ALA A 29 17.808 3.779 -1.382 1.00 0.00 C ATOM 473 C ALA A 29 19.037 3.000 -1.869 1.00 0.00 C ATOM 474 O ALA A 29 19.401 1.997 -1.287 1.00 0.00 O ATOM 475 CB ALA A 29 18.235 5.141 -0.833 1.00 0.00 C ATOM 0 H ALA A 29 17.527 2.093 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 29 17.127 3.926 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.736 5.709 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.356 5.689 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.918 4.998 0.004 1.00 0.00 H new ATOM 481 N PRO A 30 19.629 3.477 -2.938 1.00 0.00 N ATOM 482 CA PRO A 30 19.181 4.695 -3.637 1.00 0.00 C ATOM 483 C PRO A 30 17.903 4.419 -4.424 1.00 0.00 C ATOM 484 O PRO A 30 17.682 3.326 -4.907 1.00 0.00 O ATOM 485 CB PRO A 30 20.341 5.027 -4.575 1.00 0.00 C ATOM 486 CG PRO A 30 21.118 3.712 -4.777 1.00 0.00 C ATOM 487 CD PRO A 30 20.797 2.823 -3.560 1.00 0.00 C ATOM 0 HA PRO A 30 18.947 5.514 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.975 5.413 -5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.982 5.796 -4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.819 3.223 -5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.189 3.901 -4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.568 1.801 -3.862 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.640 2.771 -2.870 1.00 0.00 H new ATOM 495 N ASP A 31 17.069 5.411 -4.550 1.00 0.00 N ATOM 496 CA ASP A 31 15.788 5.248 -5.296 1.00 0.00 C ATOM 497 C ASP A 31 15.217 3.846 -5.055 1.00 0.00 C ATOM 498 O ASP A 31 15.453 2.942 -5.831 1.00 0.00 O ATOM 499 CB ASP A 31 16.036 5.447 -6.793 1.00 0.00 C ATOM 500 CG ASP A 31 15.514 6.820 -7.220 1.00 0.00 C ATOM 501 OD1 ASP A 31 15.034 7.543 -6.362 1.00 0.00 O ATOM 502 OD2 ASP A 31 15.601 7.125 -8.398 1.00 0.00 O ATOM 0 H ASP A 31 17.221 6.342 -4.163 1.00 0.00 H new ATOM 0 HA ASP A 31 15.074 5.992 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.101 5.368 -7.009 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.536 4.663 -7.362 1.00 0.00 H new ATOM 507 N PRO A 32 14.484 3.710 -3.981 1.00 0.00 N ATOM 508 CA PRO A 32 13.865 2.428 -3.603 1.00 0.00 C ATOM 509 C PRO A 32 12.611 2.179 -4.445 1.00 0.00 C ATOM 510 O PRO A 32 12.077 3.084 -5.056 1.00 0.00 O ATOM 511 CB PRO A 32 13.497 2.629 -2.131 1.00 0.00 C ATOM 512 CG PRO A 32 13.393 4.157 -1.915 1.00 0.00 C ATOM 513 CD PRO A 32 14.205 4.818 -3.045 1.00 0.00 C ATOM 0 HA PRO A 32 14.519 1.570 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.553 2.138 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.254 2.195 -1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.353 4.482 -1.944 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.788 4.438 -0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.641 5.616 -3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.126 5.263 -2.667 1.00 0.00 H new ATOM 521 N THR A 33 12.134 0.965 -4.484 1.00 0.00 N ATOM 522 CA THR A 33 10.913 0.684 -5.291 1.00 0.00 C ATOM 523 C THR A 33 9.824 0.097 -4.392 1.00 0.00 C ATOM 524 O THR A 33 9.950 -0.998 -3.886 1.00 0.00 O ATOM 525 CB THR A 33 11.246 -0.313 -6.402 1.00 0.00 C ATOM 526 OG1 THR A 33 12.154 0.285 -7.317 1.00 0.00 O ATOM 527 CG2 THR A 33 9.962 -0.704 -7.133 1.00 0.00 C ATOM 0 H THR A 33 12.532 0.162 -3.997 1.00 0.00 H new ATOM 0 HA THR A 33 10.556 1.614 -5.733 1.00 0.00 H new ATOM 0 HB THR A 33 11.703 -1.204 -5.970 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.370 -0.354 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.197 -1.415 -7.926 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.267 -1.162 -6.429 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.505 0.185 -7.567 1.00 0.00 H new ATOM 535 N ALA A 34 8.751 0.812 -4.198 1.00 0.00 N ATOM 536 CA ALA A 34 7.653 0.287 -3.339 1.00 0.00 C ATOM 537 C ALA A 34 6.530 -0.240 -4.233 1.00 0.00 C ATOM 538 O ALA A 34 6.180 0.365 -5.227 1.00 0.00 O ATOM 539 CB ALA A 34 7.123 1.404 -2.439 1.00 0.00 C ATOM 0 H ALA A 34 8.587 1.736 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 34 8.030 -0.521 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.320 1.016 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.930 1.775 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.741 2.218 -3.056 1.00 0.00 H new ATOM 545 N THR A 35 5.970 -1.371 -3.899 1.00 0.00 N ATOM 546 CA THR A 35 4.883 -1.938 -4.745 1.00 0.00 C ATOM 547 C THR A 35 3.568 -1.966 -3.963 1.00 0.00 C ATOM 548 O THR A 35 3.508 -2.427 -2.840 1.00 0.00 O ATOM 549 CB THR A 35 5.256 -3.361 -5.165 1.00 0.00 C ATOM 550 OG1 THR A 35 6.527 -3.346 -5.800 1.00 0.00 O ATOM 551 CG2 THR A 35 4.205 -3.901 -6.136 1.00 0.00 C ATOM 0 H THR A 35 6.218 -1.925 -3.079 1.00 0.00 H new ATOM 0 HA THR A 35 4.757 -1.314 -5.630 1.00 0.00 H new ATOM 0 HB THR A 35 5.296 -4.002 -4.284 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.632 -4.157 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.472 -4.915 -6.434 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.230 -3.911 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.163 -3.262 -7.018 1.00 0.00 H new ATOM 559 N TRP A 36 2.514 -1.482 -4.560 1.00 0.00 N ATOM 560 CA TRP A 36 1.191 -1.479 -3.877 1.00 0.00 C ATOM 561 C TRP A 36 0.315 -2.583 -4.491 1.00 0.00 C ATOM 562 O TRP A 36 -0.451 -2.358 -5.415 1.00 0.00 O ATOM 563 CB TRP A 36 0.539 -0.109 -4.072 1.00 0.00 C ATOM 564 CG TRP A 36 0.967 0.808 -2.965 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.725 1.924 -3.112 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.680 0.702 -1.542 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.900 2.513 -1.873 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.276 1.797 -0.874 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.037 -0.227 -0.776 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.160 1.962 0.506 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.153 -0.065 0.611 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.441 1.026 1.250 1.00 0.00 C ATOM 0 H TRP A 36 2.513 -1.085 -5.500 1.00 0.00 H new ATOM 0 HA TRP A 36 1.307 -1.669 -2.810 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.826 0.309 -5.037 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.546 -0.208 -4.078 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.126 2.292 -4.045 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.427 3.373 -1.717 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.503 -1.074 -1.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.623 2.807 0.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.706 -0.789 1.191 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.344 1.145 2.319 1.00 0.00 H new ATOM 583 N THR A 37 0.437 -3.787 -3.995 1.00 0.00 N ATOM 584 CA THR A 37 -0.364 -4.910 -4.560 1.00 0.00 C ATOM 585 C THR A 37 -1.537 -5.241 -3.640 1.00 0.00 C ATOM 586 O THR A 37 -1.546 -4.909 -2.475 1.00 0.00 O ATOM 587 CB THR A 37 0.521 -6.153 -4.688 1.00 0.00 C ATOM 588 OG1 THR A 37 1.729 -5.947 -3.970 1.00 0.00 O ATOM 589 CG2 THR A 37 0.841 -6.423 -6.159 1.00 0.00 C ATOM 0 H THR A 37 1.056 -4.039 -3.225 1.00 0.00 H new ATOM 0 HA THR A 37 -0.742 -4.610 -5.538 1.00 0.00 H new ATOM 0 HB THR A 37 -0.010 -7.012 -4.278 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.524 -5.778 -3.027 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.471 -7.309 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.086 -6.587 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.366 -5.566 -6.580 1.00 0.00 H new ATOM 597 N VAL A 38 -2.518 -5.914 -4.166 1.00 0.00 N ATOM 598 CA VAL A 38 -3.696 -6.306 -3.347 1.00 0.00 C ATOM 599 C VAL A 38 -3.534 -7.781 -2.953 1.00 0.00 C ATOM 600 O VAL A 38 -2.515 -8.387 -3.221 1.00 0.00 O ATOM 601 CB VAL A 38 -4.968 -6.112 -4.183 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.104 -7.255 -5.186 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.193 -6.097 -3.273 1.00 0.00 C ATOM 0 H VAL A 38 -2.555 -6.213 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.770 -5.694 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.899 -5.163 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.008 -7.114 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.236 -7.265 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.164 -8.203 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.091 -5.959 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.258 -7.043 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.105 -5.279 -2.558 1.00 0.00 H new ATOM 650 N ALA A 43 -1.977 -10.232 -6.876 1.00 0.00 N ATOM 651 CA ALA A 43 -2.888 -9.256 -7.525 1.00 0.00 C ATOM 652 C ALA A 43 -2.349 -7.844 -7.306 1.00 0.00 C ATOM 653 O ALA A 43 -1.645 -7.585 -6.353 1.00 0.00 O ATOM 654 CB ALA A 43 -4.287 -9.369 -6.913 1.00 0.00 C ATOM 0 HA ALA A 43 -2.946 -9.467 -8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.953 -8.651 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.671 -10.378 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.235 -9.159 -5.845 1.00 0.00 H new ATOM 660 N ALA A 44 -2.676 -6.927 -8.174 1.00 0.00 N ATOM 661 CA ALA A 44 -2.184 -5.532 -8.000 1.00 0.00 C ATOM 662 C ALA A 44 -3.300 -4.689 -7.389 1.00 0.00 C ATOM 663 O ALA A 44 -4.467 -4.942 -7.609 1.00 0.00 O ATOM 664 CB ALA A 44 -1.787 -4.952 -9.358 1.00 0.00 C ATOM 0 H ALA A 44 -3.261 -7.083 -8.995 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.314 -5.527 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.428 -3.931 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.997 -5.561 -9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.653 -4.949 -10.020 1.00 0.00 H new ATOM 670 N LEU A 45 -2.962 -3.693 -6.616 1.00 0.00 N ATOM 671 CA LEU A 45 -4.027 -2.857 -5.998 1.00 0.00 C ATOM 672 C LEU A 45 -5.091 -2.516 -7.046 1.00 0.00 C ATOM 673 O LEU A 45 -4.804 -2.388 -8.220 1.00 0.00 O ATOM 674 CB LEU A 45 -3.413 -1.577 -5.446 1.00 0.00 C ATOM 675 CG LEU A 45 -3.549 -1.579 -3.926 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.498 -2.508 -3.320 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.342 -0.163 -3.399 1.00 0.00 C ATOM 0 H LEU A 45 -2.005 -3.425 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.495 -3.411 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.363 -1.510 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.914 -0.706 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.543 -1.930 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.596 -2.509 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.645 -3.520 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.502 -2.159 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.439 -0.161 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.347 0.186 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.092 0.499 -3.831 1.00 0.00 H new ATOM 728 N LEU A 49 -8.547 2.766 -7.966 1.00 0.00 N ATOM 729 CA LEU A 49 -8.124 3.756 -6.947 1.00 0.00 C ATOM 730 C LEU A 49 -6.891 4.517 -7.436 1.00 0.00 C ATOM 731 O LEU A 49 -6.493 4.414 -8.579 1.00 0.00 O ATOM 732 CB LEU A 49 -7.795 3.043 -5.635 1.00 0.00 C ATOM 733 CG LEU A 49 -6.652 2.055 -5.864 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.416 2.500 -5.083 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.083 0.674 -5.377 1.00 0.00 C ATOM 0 HA LEU A 49 -8.939 4.461 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.514 3.771 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.675 2.518 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.412 2.019 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.605 1.791 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.109 3.490 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.651 2.537 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.273 -0.037 -5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.320 0.721 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.964 0.351 -5.932 1.00 0.00 H new ATOM 747 N LEU A 50 -6.283 5.276 -6.569 1.00 0.00 N ATOM 748 CA LEU A 50 -5.071 6.048 -6.959 1.00 0.00 C ATOM 749 C LEU A 50 -3.891 5.547 -6.129 1.00 0.00 C ATOM 750 O LEU A 50 -4.067 4.811 -5.180 1.00 0.00 O ATOM 751 CB LEU A 50 -5.302 7.529 -6.661 1.00 0.00 C ATOM 752 CG LEU A 50 -5.707 8.265 -7.931 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.053 9.715 -7.581 1.00 0.00 C ATOM 754 CD2 LEU A 50 -4.542 8.238 -8.918 1.00 0.00 C ATOM 0 H LEU A 50 -6.576 5.396 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.867 5.918 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.080 7.638 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.394 7.971 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.575 7.783 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.344 10.248 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.879 9.730 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.183 10.200 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.825 8.763 -9.830 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.676 8.727 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.292 7.204 -9.158 1.00 0.00 H new ATOM 766 N VAL A 51 -2.691 5.935 -6.461 1.00 0.00 N ATOM 767 CA VAL A 51 -1.532 5.459 -5.657 1.00 0.00 C ATOM 768 C VAL A 51 -0.345 6.412 -5.802 1.00 0.00 C ATOM 769 O VAL A 51 -0.012 6.858 -6.882 1.00 0.00 O ATOM 770 CB VAL A 51 -1.124 4.060 -6.118 1.00 0.00 C ATOM 771 CG1 VAL A 51 0.052 3.573 -5.271 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.302 3.106 -5.935 1.00 0.00 C ATOM 0 H VAL A 51 -2.465 6.551 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.828 5.428 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.834 4.090 -7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.346 2.575 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.893 4.256 -5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.244 3.540 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.015 2.107 -6.263 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.585 3.075 -4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.147 3.454 -6.529 1.00 0.00 H new ATOM 782 N ASP A 52 0.302 6.708 -4.709 1.00 0.00 N ATOM 783 CA ASP A 52 1.484 7.613 -4.742 1.00 0.00 C ATOM 784 C ASP A 52 2.578 6.993 -3.872 1.00 0.00 C ATOM 785 O ASP A 52 2.301 6.234 -2.964 1.00 0.00 O ATOM 786 CB ASP A 52 1.096 8.985 -4.186 1.00 0.00 C ATOM 787 CG ASP A 52 0.268 9.741 -5.228 1.00 0.00 C ATOM 788 OD1 ASP A 52 0.167 9.254 -6.342 1.00 0.00 O ATOM 789 OD2 ASP A 52 -0.250 10.794 -4.893 1.00 0.00 O ATOM 0 H ASP A 52 0.058 6.357 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 52 1.840 7.738 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.523 8.868 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.991 9.554 -3.934 1.00 0.00 H new ATOM 794 N ALA A 53 3.819 7.281 -4.131 1.00 0.00 N ATOM 795 CA ALA A 53 4.873 6.658 -3.292 1.00 0.00 C ATOM 796 C ALA A 53 6.149 7.504 -3.293 1.00 0.00 C ATOM 797 O ALA A 53 6.496 8.136 -4.272 1.00 0.00 O ATOM 798 CB ALA A 53 5.164 5.258 -3.827 1.00 0.00 C ATOM 0 H ALA A 53 4.144 7.905 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 53 4.520 6.596 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.937 4.789 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.256 4.657 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.507 5.327 -4.859 1.00 0.00 H new ATOM 804 N LYS A 54 6.843 7.516 -2.185 1.00 0.00 N ATOM 805 CA LYS A 54 8.101 8.313 -2.077 1.00 0.00 C ATOM 806 C LYS A 54 9.281 7.386 -1.747 1.00 0.00 C ATOM 807 O LYS A 54 9.113 6.289 -1.257 1.00 0.00 O ATOM 808 CB LYS A 54 7.945 9.353 -0.965 1.00 0.00 C ATOM 809 CG LYS A 54 7.189 10.570 -1.500 1.00 0.00 C ATOM 810 CD LYS A 54 6.803 11.484 -0.334 1.00 0.00 C ATOM 811 CE LYS A 54 5.729 12.473 -0.791 1.00 0.00 C ATOM 812 NZ LYS A 54 5.202 13.214 0.390 1.00 0.00 N ATOM 0 H LYS A 54 6.589 7.002 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 54 8.294 8.813 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.407 8.920 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.925 9.655 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.810 11.113 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.296 10.250 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.432 10.889 0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.680 12.024 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.147 13.172 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.919 11.942 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.472 13.887 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.788 12.541 1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.978 13.733 0.849 1.00 0.00 H new ATOM 826 N SER A 55 10.477 7.822 -2.026 1.00 0.00 N ATOM 827 CA SER A 55 11.677 6.975 -1.755 1.00 0.00 C ATOM 828 C SER A 55 11.669 6.423 -0.320 1.00 0.00 C ATOM 829 O SER A 55 11.787 5.232 -0.109 1.00 0.00 O ATOM 830 CB SER A 55 12.939 7.814 -1.959 1.00 0.00 C ATOM 831 OG SER A 55 13.171 7.982 -3.352 1.00 0.00 O ATOM 0 H SER A 55 10.679 8.735 -2.433 1.00 0.00 H new ATOM 0 HA SER A 55 11.658 6.131 -2.445 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.826 8.785 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.794 7.325 -1.492 1.00 0.00 H new ATOM 0 HG SER A 55 13.978 8.521 -3.487 1.00 0.00 H new ATOM 837 N SER A 56 11.570 7.269 0.670 1.00 0.00 N ATOM 838 CA SER A 56 11.602 6.769 2.079 1.00 0.00 C ATOM 839 C SER A 56 10.186 6.541 2.617 1.00 0.00 C ATOM 840 O SER A 56 9.978 6.424 3.812 1.00 0.00 O ATOM 841 CB SER A 56 12.314 7.796 2.960 1.00 0.00 C ATOM 842 OG SER A 56 13.222 8.547 2.166 1.00 0.00 O ATOM 0 H SER A 56 11.469 8.279 0.568 1.00 0.00 H new ATOM 0 HA SER A 56 12.135 5.818 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.586 8.460 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.848 7.293 3.766 1.00 0.00 H new ATOM 0 HG SER A 56 13.679 9.207 2.728 1.00 0.00 H new ATOM 848 N THR A 57 9.206 6.466 1.768 1.00 0.00 N ATOM 849 CA THR A 57 7.828 6.244 2.284 1.00 0.00 C ATOM 850 C THR A 57 6.877 6.047 1.112 1.00 0.00 C ATOM 851 O THR A 57 7.294 5.780 0.009 1.00 0.00 O ATOM 852 CB THR A 57 7.409 7.478 3.095 1.00 0.00 C ATOM 853 OG1 THR A 57 6.278 7.176 3.892 1.00 0.00 O ATOM 854 CG2 THR A 57 7.068 8.624 2.146 1.00 0.00 C ATOM 0 H THR A 57 9.293 6.547 0.755 1.00 0.00 H new ATOM 0 HA THR A 57 7.798 5.357 2.917 1.00 0.00 H new ATOM 0 HB THR A 57 8.235 7.772 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.991 6.255 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.771 9.499 2.724 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.942 8.868 1.542 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.248 8.324 1.494 1.00 0.00 H new ATOM 862 N THR A 58 5.604 6.188 1.337 1.00 0.00 N ATOM 863 CA THR A 58 4.639 6.030 0.222 1.00 0.00 C ATOM 864 C THR A 58 3.218 6.174 0.747 1.00 0.00 C ATOM 865 O THR A 58 2.924 5.848 1.877 1.00 0.00 O ATOM 866 CB THR A 58 4.793 4.654 -0.430 1.00 0.00 C ATOM 867 OG1 THR A 58 4.053 4.627 -1.641 1.00 0.00 O ATOM 868 CG2 THR A 58 4.251 3.578 0.508 1.00 0.00 C ATOM 0 H THR A 58 5.191 6.406 2.244 1.00 0.00 H new ATOM 0 HA THR A 58 4.841 6.802 -0.520 1.00 0.00 H new ATOM 0 HB THR A 58 5.847 4.465 -0.632 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.200 3.771 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.362 2.599 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.807 3.598 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.196 3.767 0.708 1.00 0.00 H new ATOM 876 N SER A 59 2.331 6.641 -0.077 1.00 0.00 N ATOM 877 CA SER A 59 0.918 6.789 0.351 1.00 0.00 C ATOM 878 C SER A 59 0.051 6.633 -0.877 1.00 0.00 C ATOM 879 O SER A 59 0.419 7.034 -1.961 1.00 0.00 O ATOM 880 CB SER A 59 0.696 8.163 0.983 1.00 0.00 C ATOM 881 OG SER A 59 1.464 9.132 0.282 1.00 0.00 O ATOM 0 H SER A 59 2.525 6.929 -1.036 1.00 0.00 H new ATOM 0 HA SER A 59 0.665 6.035 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.361 8.426 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.985 8.144 2.034 1.00 0.00 H new ATOM 0 HG SER A 59 1.323 10.015 0.684 1.00 0.00 H new ATOM 887 N ILE A 60 -1.077 6.021 -0.744 1.00 0.00 N ATOM 888 CA ILE A 60 -1.897 5.817 -1.949 1.00 0.00 C ATOM 889 C ILE A 60 -3.325 6.312 -1.725 1.00 0.00 C ATOM 890 O ILE A 60 -3.695 6.712 -0.638 1.00 0.00 O ATOM 891 CB ILE A 60 -1.791 4.339 -2.333 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.558 3.464 -1.351 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.312 3.941 -2.258 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.601 2.031 -1.880 1.00 0.00 C ATOM 0 H ILE A 60 -1.462 5.659 0.129 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.534 6.409 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.205 4.200 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.078 3.489 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.570 3.846 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.204 2.890 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.265 4.554 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.055 4.095 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.149 1.401 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.100 2.016 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.585 1.653 -1.989 1.00 0.00 H new ATOM 906 N PHE A 61 -4.090 6.397 -2.778 1.00 0.00 N ATOM 907 CA PHE A 61 -5.449 6.996 -2.668 1.00 0.00 C ATOM 908 C PHE A 61 -6.594 6.015 -2.931 1.00 0.00 C ATOM 909 O PHE A 61 -6.443 5.008 -3.590 1.00 0.00 O ATOM 910 CB PHE A 61 -5.513 8.088 -3.719 1.00 0.00 C ATOM 911 CG PHE A 61 -5.254 9.413 -3.084 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.168 9.567 -2.224 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.089 10.489 -3.369 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.913 10.805 -1.641 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.843 11.730 -2.790 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.752 11.895 -1.922 1.00 0.00 C ATOM 0 H PHE A 61 -3.832 6.077 -3.711 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.582 7.348 -1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.777 7.898 -4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.492 8.088 -4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.525 8.726 -2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.927 10.361 -4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.072 10.927 -0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.491 12.566 -3.008 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.559 12.857 -1.472 1.00 0.00 H new ATOM 926 N PHE A 62 -7.761 6.359 -2.437 1.00 0.00 N ATOM 927 CA PHE A 62 -8.977 5.520 -2.652 1.00 0.00 C ATOM 928 C PHE A 62 -10.199 6.433 -2.835 1.00 0.00 C ATOM 929 O PHE A 62 -11.226 6.181 -2.239 1.00 0.00 O ATOM 930 CB PHE A 62 -9.261 4.678 -1.416 1.00 0.00 C ATOM 931 CG PHE A 62 -8.251 3.573 -1.242 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.927 3.874 -0.910 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.652 2.239 -1.385 1.00 0.00 C ATOM 934 CE1 PHE A 62 -6.002 2.840 -0.726 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.727 1.206 -1.204 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.401 1.507 -0.875 1.00 0.00 C ATOM 0 H PHE A 62 -7.921 7.201 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.802 4.891 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.255 5.317 -0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.260 4.248 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.618 4.903 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.677 2.008 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.979 3.071 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.036 0.177 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.685 0.710 -0.736 1.00 0.00 H new ATOM 946 N PRO A 63 -10.069 7.459 -3.637 1.00 0.00 N ATOM 947 CA PRO A 63 -11.174 8.409 -3.880 1.00 0.00 C ATOM 948 C PRO A 63 -12.355 7.697 -4.530 1.00 0.00 C ATOM 949 O PRO A 63 -13.453 8.211 -4.596 1.00 0.00 O ATOM 950 CB PRO A 63 -10.551 9.464 -4.800 1.00 0.00 C ATOM 951 CG PRO A 63 -9.324 8.783 -5.437 1.00 0.00 C ATOM 952 CD PRO A 63 -8.846 7.758 -4.397 1.00 0.00 C ATOM 0 HA PRO A 63 -11.575 8.854 -2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.260 9.788 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.260 10.352 -4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.587 8.297 -6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.543 9.509 -5.662 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.437 6.865 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.064 8.167 -3.758 1.00 0.00 H new ATOM 960 N SER A 64 -12.132 6.506 -4.986 1.00 0.00 N ATOM 961 CA SER A 64 -13.229 5.723 -5.612 1.00 0.00 C ATOM 962 C SER A 64 -13.250 4.324 -4.994 1.00 0.00 C ATOM 963 O SER A 64 -13.093 3.335 -5.681 1.00 0.00 O ATOM 964 CB SER A 64 -12.984 5.611 -7.119 1.00 0.00 C ATOM 965 OG SER A 64 -12.684 6.897 -7.643 1.00 0.00 O ATOM 0 H SER A 64 -11.229 6.033 -4.953 1.00 0.00 H new ATOM 0 HA SER A 64 -14.184 6.220 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.160 4.925 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.865 5.201 -7.613 1.00 0.00 H new ATOM 0 HG SER A 64 -12.525 6.828 -8.608 1.00 0.00 H new ATOM 971 N ALA A 65 -13.437 4.222 -3.700 1.00 0.00 N ATOM 972 CA ALA A 65 -13.456 2.876 -3.072 1.00 0.00 C ATOM 973 C ALA A 65 -14.892 2.388 -2.949 1.00 0.00 C ATOM 974 O ALA A 65 -15.793 3.140 -2.615 1.00 0.00 O ATOM 975 CB ALA A 65 -12.825 2.928 -1.685 1.00 0.00 C ATOM 0 H ALA A 65 -13.575 5.006 -3.063 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.885 2.192 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.847 1.934 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.792 3.266 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.385 3.621 -1.056 1.00 0.00 H new ATOM 981 N LYS A 66 -15.092 1.127 -3.212 1.00 0.00 N ATOM 982 CA LYS A 66 -16.452 0.528 -3.127 1.00 0.00 C ATOM 983 C LYS A 66 -16.415 -0.668 -2.173 1.00 0.00 C ATOM 984 O LYS A 66 -15.372 -1.043 -1.678 1.00 0.00 O ATOM 985 CB LYS A 66 -16.886 0.055 -4.516 1.00 0.00 C ATOM 986 CG LYS A 66 -17.629 1.184 -5.234 1.00 0.00 C ATOM 987 CD LYS A 66 -17.589 0.943 -6.745 1.00 0.00 C ATOM 988 CE LYS A 66 -17.963 2.232 -7.480 1.00 0.00 C ATOM 989 NZ LYS A 66 -18.389 1.906 -8.870 1.00 0.00 N ATOM 0 H LYS A 66 -14.357 0.475 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.159 1.271 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.015 -0.248 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.530 -0.820 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.662 1.230 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.171 2.144 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.593 0.617 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.281 0.145 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.768 2.744 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.112 2.912 -7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.643 2.782 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.608 1.436 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.213 1.272 -8.841 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.540 -1.273 -1.913 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.553 -2.445 -0.994 1.00 0.00 C ATOM 1005 C ARG A 67 -16.501 -3.457 -1.451 1.00 0.00 C ATOM 1006 O ARG A 67 -15.737 -3.975 -0.661 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.935 -3.099 -1.021 1.00 0.00 C ATOM 1008 CG ARG A 67 -18.950 -4.299 -0.074 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.391 -4.599 0.343 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.029 -5.482 -0.674 1.00 0.00 N ATOM 1011 CZ ARG A 67 -21.376 -6.699 -0.355 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -22.563 -6.932 0.134 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -20.536 -7.683 -0.527 1.00 0.00 N ATOM 0 H ARG A 67 -18.448 -1.008 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.328 -2.116 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.696 -2.378 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.178 -3.419 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.513 -5.169 -0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.341 -4.090 0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.405 -5.082 1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.954 -3.671 0.439 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.194 -5.135 -1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -23.220 -6.163 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -22.834 -7.883 0.383 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -19.609 -7.501 -0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -20.807 -8.634 -0.278 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.459 -3.746 -2.723 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.466 -4.723 -3.238 1.00 0.00 C ATOM 1029 C ALA A 68 -14.051 -4.263 -2.884 1.00 0.00 C ATOM 1030 O ALA A 68 -13.170 -5.066 -2.647 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.596 -4.827 -4.756 1.00 0.00 C ATOM 0 H ALA A 68 -17.075 -3.343 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.653 -5.696 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.868 -5.544 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.601 -5.161 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.412 -3.851 -5.205 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.823 -2.977 -2.849 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.462 -2.468 -2.514 1.00 0.00 C ATOM 1039 C ASP A 69 -11.891 -3.269 -1.343 1.00 0.00 C ATOM 1040 O ASP A 69 -10.692 -3.398 -1.192 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.547 -0.991 -2.124 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.198 -0.533 -1.567 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -10.348 -0.161 -2.359 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.037 -0.563 -0.358 1.00 0.00 O ATOM 0 H ASP A 69 -14.521 -2.257 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.813 -2.577 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.817 -0.390 -2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.329 -0.845 -1.379 1.00 0.00 H new ATOM 1049 N SER A 70 -12.740 -3.812 -0.514 1.00 0.00 N ATOM 1050 CA SER A 70 -12.244 -4.606 0.644 1.00 0.00 C ATOM 1051 C SER A 70 -11.339 -5.728 0.135 1.00 0.00 C ATOM 1052 O SER A 70 -11.801 -6.720 -0.393 1.00 0.00 O ATOM 1053 CB SER A 70 -13.432 -5.209 1.396 1.00 0.00 C ATOM 1054 OG SER A 70 -13.045 -6.455 1.960 1.00 0.00 O ATOM 0 H SER A 70 -13.755 -3.740 -0.589 1.00 0.00 H new ATOM 0 HA SER A 70 -11.681 -3.959 1.317 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.764 -4.529 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.274 -5.349 0.718 1.00 0.00 H new ATOM 0 HG SER A 70 -13.803 -6.845 2.444 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.052 -5.580 0.286 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.121 -6.640 -0.193 1.00 0.00 C ATOM 1062 C GLY A 71 -7.848 -6.640 0.657 1.00 0.00 C ATOM 1063 O GLY A 71 -7.729 -5.911 1.626 1.00 0.00 O ATOM 0 H GLY A 71 -9.605 -4.772 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.606 -7.614 -0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.870 -6.469 -1.240 1.00 0.00 H new ATOM 1067 N ASN A 72 -6.890 -7.452 0.295 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.622 -7.501 1.074 1.00 0.00 C ATOM 1069 C ASN A 72 -4.587 -6.606 0.397 1.00 0.00 C ATOM 1070 O ASN A 72 -3.803 -7.053 -0.416 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.102 -8.940 1.119 1.00 0.00 C ATOM 1072 CG ASN A 72 -5.347 -9.528 2.510 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -4.610 -9.254 3.437 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -6.359 -10.331 2.697 1.00 0.00 N ATOM 0 H ASN A 72 -6.932 -8.082 -0.506 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.802 -7.153 2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.605 -9.544 0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.037 -8.961 0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.531 -10.728 3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.978 -10.561 1.920 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.580 -5.345 0.720 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.598 -4.427 0.088 1.00 0.00 C ATOM 1083 C TYR A 73 -2.203 -4.715 0.640 1.00 0.00 C ATOM 1084 O TYR A 73 -1.775 -4.129 1.611 1.00 0.00 O ATOM 1085 CB TYR A 73 -3.989 -2.979 0.384 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.145 -2.588 -0.506 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.312 -3.362 -0.517 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.049 -1.456 -1.323 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.383 -3.003 -1.345 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.121 -1.097 -2.151 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.287 -1.871 -2.161 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.341 -1.516 -2.977 1.00 0.00 O ATOM 0 H TYR A 73 -5.211 -4.911 1.394 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.594 -4.582 -0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.268 -2.872 1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.140 -2.317 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.386 -4.236 0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.149 -0.859 -1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.283 -3.600 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.047 -0.223 -2.781 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.037 -1.082 -2.442 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.489 -5.611 0.017 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.118 -5.935 0.492 1.00 0.00 C ATOM 1104 C LYS A 74 0.890 -5.083 -0.281 1.00 0.00 C ATOM 1105 O LYS A 74 0.892 -5.051 -1.498 1.00 0.00 O ATOM 1106 CB LYS A 74 0.171 -7.419 0.250 1.00 0.00 C ATOM 1107 CG LYS A 74 1.384 -7.845 1.081 1.00 0.00 C ATOM 1108 CD LYS A 74 0.999 -9.021 1.982 1.00 0.00 C ATOM 1109 CE LYS A 74 2.237 -9.872 2.270 1.00 0.00 C ATOM 1110 NZ LYS A 74 1.992 -10.715 3.474 1.00 0.00 N ATOM 0 H LYS A 74 -1.798 -6.133 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.037 -5.724 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.698 -8.019 0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.362 -7.595 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.206 -8.130 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.735 -7.009 1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.573 -8.653 2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.233 -9.627 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.465 -10.503 1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.103 -9.230 2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.834 -11.294 3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.794 -10.103 4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.177 -11.337 3.302 1.00 0.00 H new ATOM 1124 N LEU A 75 1.744 -4.387 0.414 1.00 0.00 N ATOM 1125 CA LEU A 75 2.746 -3.535 -0.282 1.00 0.00 C ATOM 1126 C LEU A 75 4.149 -4.060 0.035 1.00 0.00 C ATOM 1127 O LEU A 75 4.413 -4.517 1.124 1.00 0.00 O ATOM 1128 CB LEU A 75 2.588 -2.085 0.201 1.00 0.00 C ATOM 1129 CG LEU A 75 3.866 -1.288 -0.070 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.537 -0.040 -0.879 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.488 -0.869 1.262 1.00 0.00 C ATOM 0 H LEU A 75 1.792 -4.371 1.433 1.00 0.00 H new ATOM 0 HA LEU A 75 2.593 -3.566 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.745 -1.616 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.364 -2.073 1.268 1.00 0.00 H new ATOM 0 HG LEU A 75 4.565 -1.909 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.451 0.522 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.086 -0.330 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.838 0.582 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.399 -0.301 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.781 -0.250 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.728 -1.757 1.847 1.00 0.00 H new ATOM 1143 N LYS A 76 5.049 -4.003 -0.907 1.00 0.00 N ATOM 1144 CA LYS A 76 6.429 -4.507 -0.644 1.00 0.00 C ATOM 1145 C LYS A 76 7.449 -3.597 -1.330 1.00 0.00 C ATOM 1146 O LYS A 76 7.442 -3.438 -2.535 1.00 0.00 O ATOM 1147 CB LYS A 76 6.572 -5.932 -1.188 1.00 0.00 C ATOM 1148 CG LYS A 76 5.638 -6.128 -2.384 1.00 0.00 C ATOM 1149 CD LYS A 76 6.300 -7.059 -3.401 1.00 0.00 C ATOM 1150 CE LYS A 76 6.621 -6.277 -4.675 1.00 0.00 C ATOM 1151 NZ LYS A 76 5.530 -6.479 -5.670 1.00 0.00 N ATOM 0 H LYS A 76 4.891 -3.631 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 76 6.609 -4.510 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.604 -6.115 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.334 -6.654 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.689 -6.550 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.415 -5.166 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.213 -7.483 -2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.638 -7.894 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.728 -5.217 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.572 -6.611 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.722 -5.907 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.483 -7.484 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.623 -6.187 -5.254 1.00 0.00 H new ATOM 1165 N VAL A 77 8.327 -2.997 -0.573 1.00 0.00 N ATOM 1166 CA VAL A 77 9.344 -2.097 -1.186 1.00 0.00 C ATOM 1167 C VAL A 77 10.723 -2.752 -1.116 1.00 0.00 C ATOM 1168 O VAL A 77 11.188 -3.139 -0.065 1.00 0.00 O ATOM 1169 CB VAL A 77 9.352 -0.760 -0.440 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.913 -0.356 -0.132 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.125 -0.893 0.873 1.00 0.00 C ATOM 0 H VAL A 77 8.384 -3.091 0.441 1.00 0.00 H new ATOM 0 HA VAL A 77 9.095 -1.920 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 77 9.833 -0.005 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.908 0.596 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.356 -0.254 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.445 -1.121 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.124 0.064 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.651 -1.648 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.152 -1.190 0.662 1.00 0.00 H new ATOM 1181 N LYS A 78 11.374 -2.885 -2.235 1.00 0.00 N ATOM 1182 CA LYS A 78 12.718 -3.526 -2.243 1.00 0.00 C ATOM 1183 C LYS A 78 13.779 -2.520 -2.700 1.00 0.00 C ATOM 1184 O LYS A 78 13.472 -1.453 -3.200 1.00 0.00 O ATOM 1185 CB LYS A 78 12.704 -4.719 -3.200 1.00 0.00 C ATOM 1186 CG LYS A 78 11.326 -5.383 -3.167 1.00 0.00 C ATOM 1187 CD LYS A 78 11.400 -6.752 -3.846 1.00 0.00 C ATOM 1188 CE LYS A 78 11.968 -6.593 -5.256 1.00 0.00 C ATOM 1189 NZ LYS A 78 11.983 -7.918 -5.938 1.00 0.00 N ATOM 0 H LYS A 78 11.034 -2.578 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 78 12.958 -3.863 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.936 -4.389 -4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.473 -5.437 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.990 -5.495 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.595 -4.753 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.029 -7.425 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.408 -7.201 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.364 -5.886 -5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.978 -6.185 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.369 -7.810 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.576 -8.580 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.014 -8.290 -5.995 1.00 0.00 H new ATOM 1203 N ASN A 79 15.029 -2.867 -2.532 1.00 0.00 N ATOM 1204 CA ASN A 79 16.134 -1.960 -2.949 1.00 0.00 C ATOM 1205 C ASN A 79 17.303 -2.803 -3.463 1.00 0.00 C ATOM 1206 O ASN A 79 17.361 -3.997 -3.235 1.00 0.00 O ATOM 1207 CB ASN A 79 16.605 -1.125 -1.754 1.00 0.00 C ATOM 1208 CG ASN A 79 15.400 -0.639 -0.949 1.00 0.00 C ATOM 1209 OD1 ASN A 79 15.319 -0.867 0.240 1.00 0.00 O ATOM 1210 ND2 ASN A 79 14.456 0.031 -1.549 1.00 0.00 N ATOM 0 H ASN A 79 15.332 -3.749 -2.119 1.00 0.00 H new ATOM 0 HA ASN A 79 15.777 -1.293 -3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 79 17.261 -1.721 -1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 79 17.188 -0.272 -2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.650 0.363 -1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.523 0.223 -2.548 1.00 0.00 H new ATOM 1217 N GLU A 80 18.226 -2.178 -4.154 1.00 0.00 N ATOM 1218 CA GLU A 80 19.412 -2.903 -4.712 1.00 0.00 C ATOM 1219 C GLU A 80 19.783 -4.108 -3.843 1.00 0.00 C ATOM 1220 O GLU A 80 20.153 -5.150 -4.346 1.00 0.00 O ATOM 1221 CB GLU A 80 20.603 -1.944 -4.774 1.00 0.00 C ATOM 1222 CG GLU A 80 21.528 -2.350 -5.923 1.00 0.00 C ATOM 1223 CD GLU A 80 21.975 -1.101 -6.685 1.00 0.00 C ATOM 1224 OE1 GLU A 80 21.230 -0.135 -6.688 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.054 -1.133 -7.253 1.00 0.00 O ATOM 0 H GLU A 80 18.207 -1.179 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 80 19.158 -3.262 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.253 -0.922 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.148 -1.963 -3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.396 -2.882 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.011 -3.034 -6.596 1.00 0.00 H new ATOM 1232 N LEU A 81 19.693 -3.982 -2.548 1.00 0.00 N ATOM 1233 CA LEU A 81 20.051 -5.135 -1.674 1.00 0.00 C ATOM 1234 C LEU A 81 19.294 -5.045 -0.349 1.00 0.00 C ATOM 1235 O LEU A 81 19.866 -5.201 0.712 1.00 0.00 O ATOM 1236 CB LEU A 81 21.556 -5.117 -1.401 1.00 0.00 C ATOM 1237 CG LEU A 81 22.128 -6.521 -1.603 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.967 -6.551 -2.882 1.00 0.00 C ATOM 1239 CD2 LEU A 81 23.009 -6.889 -0.407 1.00 0.00 C ATOM 0 H LEU A 81 19.390 -3.139 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 81 19.778 -6.062 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.049 -4.412 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.748 -4.778 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 81 21.311 -7.238 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 81 23.375 -7.551 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.341 -6.288 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.784 -5.835 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.417 -7.890 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.826 -6.172 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.412 -6.868 0.505 1.00 0.00 H new ATOM 1251 N GLY A 82 18.013 -4.802 -0.395 1.00 0.00 N ATOM 1252 CA GLY A 82 17.236 -4.712 0.878 1.00 0.00 C ATOM 1253 C GLY A 82 15.740 -4.782 0.574 1.00 0.00 C ATOM 1254 O GLY A 82 15.199 -3.934 -0.102 1.00 0.00 O ATOM 0 H GLY A 82 17.473 -4.663 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.519 -5.525 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.469 -3.780 1.393 1.00 0.00 H new ATOM 1258 N GLU A 83 15.061 -5.780 1.068 1.00 0.00 N ATOM 1259 CA GLU A 83 13.602 -5.879 0.788 1.00 0.00 C ATOM 1260 C GLU A 83 12.800 -5.832 2.091 1.00 0.00 C ATOM 1261 O GLU A 83 13.166 -6.421 3.088 1.00 0.00 O ATOM 1262 CB GLU A 83 13.308 -7.189 0.059 1.00 0.00 C ATOM 1263 CG GLU A 83 14.434 -7.486 -0.932 1.00 0.00 C ATOM 1264 CD GLU A 83 15.585 -8.185 -0.206 1.00 0.00 C ATOM 1265 OE1 GLU A 83 15.478 -9.379 0.019 1.00 0.00 O ATOM 1266 OE2 GLU A 83 16.552 -7.514 0.114 1.00 0.00 O ATOM 0 H GLU A 83 15.449 -6.524 1.648 1.00 0.00 H new ATOM 0 HA GLU A 83 13.309 -5.035 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.217 -8.004 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.356 -7.119 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.064 -8.117 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.786 -6.560 -1.386 1.00 0.00 H new ATOM 1273 N ASP A 84 11.695 -5.140 2.070 1.00 0.00 N ATOM 1274 CA ASP A 84 10.828 -5.040 3.275 1.00 0.00 C ATOM 1275 C ASP A 84 9.385 -4.861 2.800 1.00 0.00 C ATOM 1276 O ASP A 84 9.146 -4.542 1.652 1.00 0.00 O ATOM 1277 CB ASP A 84 11.252 -3.835 4.118 1.00 0.00 C ATOM 1278 CG ASP A 84 12.632 -4.095 4.726 1.00 0.00 C ATOM 1279 OD1 ASP A 84 13.573 -4.253 3.967 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.723 -4.132 5.942 1.00 0.00 O ATOM 0 H ASP A 84 11.352 -4.632 1.255 1.00 0.00 H new ATOM 0 HA ASP A 84 10.918 -5.938 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.279 -2.937 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.523 -3.656 4.908 1.00 0.00 H new ATOM 1285 N GLU A 85 8.414 -5.079 3.644 1.00 0.00 N ATOM 1286 CA GLU A 85 7.011 -4.931 3.179 1.00 0.00 C ATOM 1287 C GLU A 85 6.048 -4.785 4.363 1.00 0.00 C ATOM 1288 O GLU A 85 6.441 -4.772 5.512 1.00 0.00 O ATOM 1289 CB GLU A 85 6.650 -6.171 2.356 1.00 0.00 C ATOM 1290 CG GLU A 85 6.201 -7.312 3.277 1.00 0.00 C ATOM 1291 CD GLU A 85 7.327 -7.655 4.253 1.00 0.00 C ATOM 1292 OE1 GLU A 85 8.394 -8.022 3.790 1.00 0.00 O ATOM 1293 OE2 GLU A 85 7.104 -7.544 5.448 1.00 0.00 O ATOM 0 H GLU A 85 8.530 -5.349 4.621 1.00 0.00 H new ATOM 0 HA GLU A 85 6.922 -4.030 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.854 -5.929 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.511 -6.488 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.306 -7.019 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.939 -8.189 2.685 1.00 0.00 H new ATOM 1300 N ALA A 86 4.781 -4.681 4.068 1.00 0.00 N ATOM 1301 CA ALA A 86 3.751 -4.542 5.130 1.00 0.00 C ATOM 1302 C ALA A 86 2.401 -4.987 4.556 1.00 0.00 C ATOM 1303 O ALA A 86 2.068 -4.686 3.424 1.00 0.00 O ATOM 1304 CB ALA A 86 3.665 -3.080 5.573 1.00 0.00 C ATOM 0 H ALA A 86 4.412 -4.687 3.117 1.00 0.00 H new ATOM 0 HA ALA A 86 4.013 -5.157 5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.909 -2.980 6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.632 -2.760 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.393 -2.457 4.721 1.00 0.00 H new ATOM 1310 N ILE A 87 1.628 -5.711 5.318 1.00 0.00 N ATOM 1311 CA ILE A 87 0.309 -6.181 4.806 1.00 0.00 C ATOM 1312 C ILE A 87 -0.796 -5.224 5.259 1.00 0.00 C ATOM 1313 O ILE A 87 -0.895 -4.880 6.420 1.00 0.00 O ATOM 1314 CB ILE A 87 0.029 -7.587 5.345 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.372 -8.042 4.903 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.123 -7.585 6.874 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.451 -7.425 5.802 1.00 0.00 C ATOM 0 H ILE A 87 1.852 -5.997 6.271 1.00 0.00 H new ATOM 0 HA ILE A 87 0.331 -6.206 3.717 1.00 0.00 H new ATOM 0 HB ILE A 87 0.770 -8.280 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.544 -7.751 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.436 -9.129 4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.077 -8.588 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.124 -7.276 7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.611 -6.890 7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.434 -7.760 5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.288 -7.738 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.398 -6.338 5.740 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.633 -4.798 4.352 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.736 -3.871 4.733 1.00 0.00 C ATOM 1331 C PHE A 88 -4.083 -4.539 4.436 1.00 0.00 C ATOM 1332 O PHE A 88 -4.485 -4.669 3.296 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.627 -2.573 3.926 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.268 -1.947 4.139 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.157 -2.420 3.428 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -1.118 -0.891 5.046 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.100 -1.837 3.624 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.140 -0.310 5.242 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.248 -0.783 4.531 1.00 0.00 C ATOM 0 H PHE A 88 -1.600 -5.052 3.365 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.662 -3.641 5.796 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.780 -2.779 2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.409 -1.878 4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.271 -3.235 2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.973 -0.525 5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.956 -2.201 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.255 0.504 5.942 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.218 -0.334 4.683 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.790 -4.954 5.453 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.114 -5.599 5.224 1.00 0.00 C ATOM 1351 C GLU A 89 -7.149 -4.499 5.021 1.00 0.00 C ATOM 1352 O GLU A 89 -7.690 -3.962 5.965 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.495 -6.445 6.441 1.00 0.00 C ATOM 1354 CG GLU A 89 -6.220 -7.920 6.143 1.00 0.00 C ATOM 1355 CD GLU A 89 -7.531 -8.707 6.204 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -8.446 -8.352 5.479 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -7.598 -9.650 6.974 1.00 0.00 O ATOM 0 H GLU A 89 -4.508 -4.874 6.430 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.071 -6.246 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.923 -6.126 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.548 -6.302 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.767 -8.024 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.509 -8.321 6.865 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.413 -4.137 3.799 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.388 -3.044 3.552 1.00 0.00 C ATOM 1366 C VAL A 90 -9.807 -3.599 3.468 1.00 0.00 C ATOM 1367 O VAL A 90 -10.088 -4.518 2.727 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.023 -2.339 2.248 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.619 -0.931 2.240 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.498 -2.250 2.144 1.00 0.00 C ATOM 0 H VAL A 90 -6.997 -4.549 2.964 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.350 -2.334 4.379 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.421 -2.899 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.357 -0.430 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.704 -0.995 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.222 -0.363 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.225 -1.748 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.108 -1.685 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.074 -3.254 2.152 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.706 -3.032 4.223 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.116 -3.503 4.192 1.00 0.00 C ATOM 1382 C ILE A 91 -13.010 -2.339 3.772 1.00 0.00 C ATOM 1383 O ILE A 91 -12.533 -1.285 3.402 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.529 -3.989 5.582 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.335 -4.660 6.265 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -13.670 -4.997 5.447 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -10.921 -5.900 5.470 1.00 0.00 C ATOM 0 H ILE A 91 -10.523 -2.259 4.863 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.216 -4.326 3.484 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.859 -3.141 6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.501 -3.962 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.597 -4.940 7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -13.967 -5.345 6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.521 -4.520 4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.337 -5.845 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.071 -6.377 5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.755 -6.600 5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.642 -5.607 4.458 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.299 -2.511 3.821 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.198 -1.400 3.417 1.00 0.00 C ATOM 1401 C VAL A 92 -16.550 -1.542 4.118 1.00 0.00 C ATOM 1402 O VAL A 92 -17.144 -2.602 4.135 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.391 -1.435 1.902 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.014 -0.119 1.437 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.029 -1.623 1.227 1.00 0.00 C ATOM 0 H VAL A 92 -14.766 -3.367 4.121 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.752 -0.448 3.705 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.050 -2.261 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.152 -0.144 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.980 0.018 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.355 0.708 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.160 -1.649 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.373 -0.794 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.584 -2.560 1.561 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.041 -0.479 4.699 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.353 -0.554 5.400 1.00 0.00 C ATOM 1417 C GLN A 93 -19.460 -0.062 4.466 1.00 0.00 C ATOM 1418 O GLN A 93 -20.321 -0.858 4.130 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.312 0.325 6.652 1.00 0.00 C ATOM 1420 CG GLN A 93 -17.246 -0.203 7.614 1.00 0.00 C ATOM 1421 CD GLN A 93 -17.135 0.735 8.817 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -16.057 1.183 9.155 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -18.211 1.053 9.482 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.427 1.102 4.103 1.00 0.00 O ATOM 0 H GLN A 93 -16.590 0.436 4.718 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.554 -1.586 5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.090 1.356 6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.287 0.327 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -17.506 -1.208 7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -16.285 -0.274 7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -19.116 0.677 9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -18.148 1.678 10.286 1.00 0.00 H new