USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 553 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 NoAdj-H: A 1 MET H1 : A 1 MET N : A 70 TRP C :(NH2R) USER MOD NoAdj-H: A 1 MET H2 : A 1 MET N : A 70 TRP C :(NH2R) USER MOD Set 1.1: A 26 THR OG1 : rot 180:sc= -0.66 USER MOD Set 1.2: A 27 THR OG1 : rot -170:sc= 0.0495 USER MOD Single : A 1 MET CE :methyl 168:sc= -6.78! (180deg=-7.01!) USER MOD Single : A 1 MET N :NH3+ 121:sc= 1.03 (180deg=-0.375) USER MOD Single : A 3 LYS NZ :NH3+ 148:sc= -0.384 (180deg=-2.5!) USER MOD Single : A 14 THR OG1 : rot -150:sc= 0.0544 USER MOD Single : A 17 ASN : amide:sc= -0.521 K(o=-0.52,f=-1.4!) USER MOD Single : A 30 SER OG : rot -29:sc= 1.12 USER MOD Single : A 33 THR OG1 : rot 24:sc= -0.39 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0494 USER MOD Single : A 41 SER OG : rot -77:sc= -0.234 USER MOD Single : A 50 SER OG : rot -54:sc= 0.497 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 165:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -126:sc= -2.81! (180deg=-5.62!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= -0.0671 (180deg=-0.615) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc=-0.00562 (180deg=-0.171) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.640 4.945 3.705 1.00 0.00 N ATOM 2 CA MET A 1 -3.224 5.338 3.675 1.00 0.00 C ATOM 3 C MET A 1 -3.029 6.840 3.964 1.00 0.00 C ATOM 4 O MET A 1 -2.231 7.201 4.834 1.00 0.00 O ATOM 5 CB MET A 1 -2.614 4.945 2.329 1.00 0.00 C ATOM 6 CG MET A 1 -2.097 3.504 2.400 1.00 0.00 C ATOM 7 SD MET A 1 -1.280 2.918 0.877 1.00 0.00 S ATOM 8 CE MET A 1 0.188 3.918 0.850 1.00 0.00 C ATOM 0 H3 MET A 1 -4.908 4.542 2.784 1.00 0.00 H new ATOM 0 HA MET A 1 -2.705 4.805 4.472 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.360 5.036 1.540 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.799 5.623 2.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.393 3.424 3.229 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.933 2.842 2.627 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.880 3.528 0.104 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.076 4.945 0.598 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.662 3.896 1.831 1.00 0.00 H new ATOM 18 N ALA A 2 -3.913 7.637 3.383 1.00 0.00 N ATOM 19 CA ALA A 2 -3.959 9.112 3.577 1.00 0.00 C ATOM 20 C ALA A 2 -4.119 9.518 5.050 1.00 0.00 C ATOM 21 O ALA A 2 -3.187 10.064 5.647 1.00 0.00 O ATOM 22 CB ALA A 2 -5.070 9.711 2.708 1.00 0.00 C ATOM 0 H ALA A 2 -4.636 7.291 2.752 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.997 9.517 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.102 10.791 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.871 9.490 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.029 9.278 2.994 1.00 0.00 H new ATOM 28 N LYS A 3 -5.152 8.909 5.637 1.00 0.00 N ATOM 29 CA LYS A 3 -5.635 9.093 7.014 1.00 0.00 C ATOM 30 C LYS A 3 -4.619 8.603 8.065 1.00 0.00 C ATOM 31 O LYS A 3 -4.098 9.383 8.866 1.00 0.00 O ATOM 32 CB LYS A 3 -6.905 8.224 7.022 1.00 0.00 C ATOM 33 CG LYS A 3 -8.050 8.733 7.893 1.00 0.00 C ATOM 34 CD LYS A 3 -8.674 10.024 7.331 1.00 0.00 C ATOM 35 CE LYS A 3 -9.558 10.699 8.382 1.00 0.00 C ATOM 36 NZ LYS A 3 -8.715 10.826 9.575 1.00 0.00 N ATOM 0 H LYS A 3 -5.715 8.226 5.130 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.803 10.138 7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.266 8.131 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.636 7.222 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.818 7.963 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.683 8.918 8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.886 10.708 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.266 9.792 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.902 11.674 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.446 10.103 8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.983 11.683 10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.845 9.992 10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.717 10.894 9.289 1.00 0.00 H new ATOM 50 N GLU A 4 -4.279 7.316 7.956 1.00 0.00 N ATOM 51 CA GLU A 4 -3.465 6.568 8.935 1.00 0.00 C ATOM 52 C GLU A 4 -1.973 6.877 8.937 1.00 0.00 C ATOM 53 O GLU A 4 -1.359 6.954 10.005 1.00 0.00 O ATOM 54 CB GLU A 4 -3.643 5.072 8.677 1.00 0.00 C ATOM 55 CG GLU A 4 -4.615 4.408 9.653 1.00 0.00 C ATOM 56 CD GLU A 4 -6.056 4.847 9.398 1.00 0.00 C ATOM 57 OE1 GLU A 4 -6.677 4.247 8.508 1.00 0.00 O ATOM 58 OE2 GLU A 4 -6.509 5.767 10.120 1.00 0.00 O ATOM 0 H GLU A 4 -4.568 6.743 7.163 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.831 6.885 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.003 4.925 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.673 4.579 8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.542 3.324 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.333 4.659 10.676 1.00 0.00 H new ATOM 65 N PHE A 5 -1.394 6.890 7.741 1.00 0.00 N ATOM 66 CA PHE A 5 0.070 6.935 7.588 1.00 0.00 C ATOM 67 C PHE A 5 0.667 8.318 7.270 1.00 0.00 C ATOM 68 O PHE A 5 1.871 8.492 7.456 1.00 0.00 O ATOM 69 CB PHE A 5 0.504 5.900 6.548 1.00 0.00 C ATOM 70 CG PHE A 5 0.155 4.456 6.925 1.00 0.00 C ATOM 71 CD1 PHE A 5 0.658 3.885 8.117 1.00 0.00 C ATOM 72 CD2 PHE A 5 -0.682 3.716 6.067 1.00 0.00 C ATOM 73 CE1 PHE A 5 0.334 2.548 8.448 1.00 0.00 C ATOM 74 CE2 PHE A 5 -1.008 2.385 6.391 1.00 0.00 C ATOM 75 CZ PHE A 5 -0.502 1.808 7.576 1.00 0.00 C ATOM 0 H PHE A 5 -1.908 6.870 6.860 1.00 0.00 H new ATOM 0 HA PHE A 5 0.475 6.695 8.571 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.035 6.139 5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.581 5.977 6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.288 4.468 8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.071 4.167 5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.718 2.098 9.352 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.643 1.808 5.735 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.756 0.787 7.821 1.00 0.00 H new ATOM 85 N GLY A 6 -0.188 9.272 6.941 1.00 0.00 N ATOM 86 CA GLY A 6 0.225 10.611 6.472 1.00 0.00 C ATOM 87 C GLY A 6 0.712 10.565 5.016 1.00 0.00 C ATOM 88 O GLY A 6 1.863 10.851 4.705 1.00 0.00 O ATOM 0 H GLY A 6 -1.200 9.151 6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.613 11.303 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.020 10.994 7.112 1.00 0.00 H new ATOM 92 N ILE A 7 -0.219 10.155 4.155 1.00 0.00 N ATOM 93 CA ILE A 7 -0.032 10.021 2.695 1.00 0.00 C ATOM 94 C ILE A 7 -0.963 10.951 1.911 1.00 0.00 C ATOM 95 O ILE A 7 -2.076 11.248 2.358 1.00 0.00 O ATOM 96 CB ILE A 7 -0.176 8.503 2.401 1.00 0.00 C ATOM 97 CG1 ILE A 7 1.194 7.819 2.430 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.960 8.121 1.138 1.00 0.00 C ATOM 99 CD1 ILE A 7 1.114 6.446 3.092 1.00 0.00 C ATOM 0 H ILE A 7 -1.159 9.896 4.456 1.00 0.00 H new ATOM 0 HA ILE A 7 0.949 10.353 2.355 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.804 8.131 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.572 7.713 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.904 8.445 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.990 7.036 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.977 8.508 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.470 8.548 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.102 5.986 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.760 6.556 4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.423 5.813 2.535 1.00 0.00 H new ATOM 111 N PRO A 8 -0.503 11.471 0.777 1.00 0.00 N ATOM 112 CA PRO A 8 -1.424 11.961 -0.247 1.00 0.00 C ATOM 113 C PRO A 8 -1.766 10.814 -1.208 1.00 0.00 C ATOM 114 O PRO A 8 -0.964 9.907 -1.432 1.00 0.00 O ATOM 115 CB PRO A 8 -0.648 13.064 -0.980 1.00 0.00 C ATOM 116 CG PRO A 8 0.787 12.571 -0.872 1.00 0.00 C ATOM 117 CD PRO A 8 0.862 11.981 0.542 1.00 0.00 C ATOM 0 HA PRO A 8 -2.361 12.334 0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.967 13.166 -2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.781 14.038 -0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.011 11.822 -1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.501 13.384 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.604 11.185 0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.140 12.736 1.277 1.00 0.00 H new ATOM 125 N ALA A 9 -2.937 10.924 -1.827 1.00 0.00 N ATOM 126 CA ALA A 9 -3.404 9.958 -2.835 1.00 0.00 C ATOM 127 C ALA A 9 -2.382 9.614 -3.940 1.00 0.00 C ATOM 128 O ALA A 9 -2.275 8.455 -4.327 1.00 0.00 O ATOM 129 CB ALA A 9 -4.697 10.472 -3.487 1.00 0.00 C ATOM 0 H ALA A 9 -3.595 11.683 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.570 9.031 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.039 9.754 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.465 10.596 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.505 11.431 -3.968 1.00 0.00 H new ATOM 135 N ALA A 10 -1.526 10.604 -4.230 1.00 0.00 N ATOM 136 CA ALA A 10 -0.346 10.512 -5.117 1.00 0.00 C ATOM 137 C ALA A 10 0.449 9.200 -4.988 1.00 0.00 C ATOM 138 O ALA A 10 0.748 8.558 -5.992 1.00 0.00 O ATOM 139 CB ALA A 10 0.580 11.689 -4.802 1.00 0.00 C ATOM 0 H ALA A 10 -1.639 11.538 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.719 10.536 -6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.459 11.643 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.051 12.626 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.891 11.638 -3.758 1.00 0.00 H new ATOM 145 N VAL A 11 0.689 8.776 -3.741 1.00 0.00 N ATOM 146 CA VAL A 11 1.508 7.580 -3.465 1.00 0.00 C ATOM 147 C VAL A 11 0.703 6.300 -3.128 1.00 0.00 C ATOM 148 O VAL A 11 1.160 5.189 -3.406 1.00 0.00 O ATOM 149 CB VAL A 11 2.598 7.852 -2.416 1.00 0.00 C ATOM 150 CG1 VAL A 11 3.502 8.997 -2.860 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.019 8.188 -1.038 1.00 0.00 C ATOM 0 H VAL A 11 0.330 9.239 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 11 1.995 7.365 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 11 3.173 6.930 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.266 9.172 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.980 8.738 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.907 9.901 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.833 8.371 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.397 9.080 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.415 7.353 -0.684 1.00 0.00 H new ATOM 161 N ALA A 12 -0.475 6.483 -2.539 1.00 0.00 N ATOM 162 CA ALA A 12 -1.385 5.362 -2.249 1.00 0.00 C ATOM 163 C ALA A 12 -1.977 4.732 -3.531 1.00 0.00 C ATOM 164 O ALA A 12 -2.162 3.519 -3.585 1.00 0.00 O ATOM 165 CB ALA A 12 -2.474 5.764 -1.271 1.00 0.00 C ATOM 0 H ALA A 12 -0.829 7.395 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.782 4.589 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.126 4.911 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.020 6.089 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.059 6.581 -1.694 1.00 0.00 H new ATOM 171 N GLY A 13 -2.156 5.559 -4.559 1.00 0.00 N ATOM 172 CA GLY A 13 -2.514 5.118 -5.916 1.00 0.00 C ATOM 173 C GLY A 13 -1.447 4.189 -6.533 1.00 0.00 C ATOM 174 O GLY A 13 -1.738 3.135 -7.076 1.00 0.00 O ATOM 0 H GLY A 13 -2.056 6.571 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.471 4.597 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.646 5.991 -6.556 1.00 0.00 H new ATOM 178 N THR A 14 -0.183 4.579 -6.330 1.00 0.00 N ATOM 179 CA THR A 14 1.011 3.821 -6.745 1.00 0.00 C ATOM 180 C THR A 14 1.135 2.449 -6.064 1.00 0.00 C ATOM 181 O THR A 14 1.427 1.456 -6.717 1.00 0.00 O ATOM 182 CB THR A 14 2.237 4.706 -6.477 1.00 0.00 C ATOM 183 OG1 THR A 14 1.877 6.071 -6.717 1.00 0.00 O ATOM 184 CG2 THR A 14 3.418 4.354 -7.388 1.00 0.00 C ATOM 0 H THR A 14 0.048 5.454 -5.860 1.00 0.00 H new ATOM 0 HA THR A 14 0.930 3.588 -7.807 1.00 0.00 H new ATOM 0 HB THR A 14 2.545 4.544 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.665 6.569 -7.019 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.260 5.007 -7.160 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.708 3.316 -7.223 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.126 4.488 -8.430 1.00 0.00 H new ATOM 192 N VAL A 15 0.746 2.379 -4.784 1.00 0.00 N ATOM 193 CA VAL A 15 0.605 1.104 -4.023 1.00 0.00 C ATOM 194 C VAL A 15 -0.384 0.132 -4.685 1.00 0.00 C ATOM 195 O VAL A 15 -0.123 -1.075 -4.770 1.00 0.00 O ATOM 196 CB VAL A 15 0.241 1.511 -2.583 1.00 0.00 C ATOM 197 CG1 VAL A 15 -0.572 0.502 -1.765 1.00 0.00 C ATOM 198 CG2 VAL A 15 1.514 1.904 -1.818 1.00 0.00 C ATOM 0 H VAL A 15 0.516 3.205 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 15 1.532 0.530 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.436 2.356 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.762 0.908 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.521 0.308 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.012 -0.429 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.252 2.191 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.199 1.056 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.995 2.744 -2.320 1.00 0.00 H new ATOM 208 N LEU A 16 -1.487 0.676 -5.174 1.00 0.00 N ATOM 209 CA LEU A 16 -2.521 -0.096 -5.890 1.00 0.00 C ATOM 210 C LEU A 16 -1.983 -0.780 -7.147 1.00 0.00 C ATOM 211 O LEU A 16 -2.303 -1.936 -7.410 1.00 0.00 O ATOM 212 CB LEU A 16 -3.676 0.814 -6.298 1.00 0.00 C ATOM 213 CG LEU A 16 -4.244 1.647 -5.142 1.00 0.00 C ATOM 214 CD1 LEU A 16 -5.368 2.539 -5.671 1.00 0.00 C ATOM 215 CD2 LEU A 16 -4.723 0.801 -3.977 1.00 0.00 C ATOM 0 H LEU A 16 -1.702 1.670 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.860 -0.866 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.336 1.486 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.475 0.205 -6.722 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.435 2.262 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.776 3.134 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.974 3.202 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.156 1.918 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.113 1.450 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.510 0.128 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.890 0.217 -3.585 1.00 0.00 H new ATOM 227 N ASN A 17 -1.083 -0.089 -7.841 1.00 0.00 N ATOM 228 CA ASN A 17 -0.414 -0.662 -9.023 1.00 0.00 C ATOM 229 C ASN A 17 0.319 -1.974 -8.706 1.00 0.00 C ATOM 230 O ASN A 17 0.137 -2.964 -9.415 1.00 0.00 O ATOM 231 CB ASN A 17 0.579 0.331 -9.619 1.00 0.00 C ATOM 232 CG ASN A 17 0.963 -0.132 -11.020 1.00 0.00 C ATOM 233 OD1 ASN A 17 1.293 -1.282 -11.281 1.00 0.00 O ATOM 234 ND2 ASN A 17 1.422 0.780 -11.818 1.00 0.00 N ATOM 0 H ASN A 17 -0.796 0.863 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.202 -0.879 -9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.138 1.327 -9.659 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.466 0.401 -8.989 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.018 0.518 -12.603 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.188 1.760 -11.661 1.00 0.00 H new ATOM 241 N VAL A 18 1.047 -1.998 -7.592 1.00 0.00 N ATOM 242 CA VAL A 18 1.673 -3.232 -7.061 1.00 0.00 C ATOM 243 C VAL A 18 0.667 -4.408 -7.010 1.00 0.00 C ATOM 244 O VAL A 18 0.876 -5.436 -7.657 1.00 0.00 O ATOM 245 CB VAL A 18 2.348 -2.926 -5.705 1.00 0.00 C ATOM 246 CG1 VAL A 18 2.548 -4.145 -4.777 1.00 0.00 C ATOM 247 CG2 VAL A 18 3.707 -2.308 -5.988 1.00 0.00 C ATOM 0 H VAL A 18 1.226 -1.170 -7.024 1.00 0.00 H new ATOM 0 HA VAL A 18 2.456 -3.566 -7.742 1.00 0.00 H new ATOM 0 HB VAL A 18 1.672 -2.258 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.029 -3.824 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.580 -4.590 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.177 -4.883 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.207 -2.081 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.313 -3.009 -6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.577 -1.389 -6.560 1.00 0.00 H new ATOM 257 N VAL A 19 -0.495 -4.101 -6.443 1.00 0.00 N ATOM 258 CA VAL A 19 -1.589 -5.080 -6.208 1.00 0.00 C ATOM 259 C VAL A 19 -2.195 -5.558 -7.548 1.00 0.00 C ATOM 260 O VAL A 19 -2.184 -6.741 -7.851 1.00 0.00 O ATOM 261 CB VAL A 19 -2.673 -4.464 -5.302 1.00 0.00 C ATOM 262 CG1 VAL A 19 -3.615 -5.539 -4.768 1.00 0.00 C ATOM 263 CG2 VAL A 19 -2.079 -3.775 -4.078 1.00 0.00 C ATOM 0 H VAL A 19 -0.722 -3.159 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.172 -5.950 -5.701 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.199 -3.742 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.370 -5.078 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.102 -6.043 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.046 -6.266 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.882 -3.357 -3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.518 -4.500 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.412 -2.975 -4.399 1.00 0.00 H new ATOM 273 N GLU A 20 -2.541 -4.584 -8.386 1.00 0.00 N ATOM 274 CA GLU A 20 -3.181 -4.748 -9.705 1.00 0.00 C ATOM 275 C GLU A 20 -2.328 -5.450 -10.775 1.00 0.00 C ATOM 276 O GLU A 20 -2.850 -6.232 -11.562 1.00 0.00 O ATOM 277 CB GLU A 20 -3.546 -3.347 -10.163 1.00 0.00 C ATOM 278 CG GLU A 20 -4.839 -2.846 -9.522 1.00 0.00 C ATOM 279 CD GLU A 20 -5.069 -1.359 -9.843 1.00 0.00 C ATOM 280 OE1 GLU A 20 -4.531 -0.531 -9.072 1.00 0.00 O ATOM 281 OE2 GLU A 20 -5.755 -1.094 -10.846 1.00 0.00 O ATOM 0 H GLU A 20 -2.377 -3.603 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.039 -5.410 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.733 -2.664 -9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.654 -3.338 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.682 -3.435 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.793 -2.986 -8.442 1.00 0.00 H new ATOM 288 N ALA A 21 -1.049 -5.090 -10.823 1.00 0.00 N ATOM 289 CA ALA A 21 -0.124 -5.548 -11.880 1.00 0.00 C ATOM 290 C ALA A 21 0.806 -6.719 -11.510 1.00 0.00 C ATOM 291 O ALA A 21 1.284 -7.424 -12.403 1.00 0.00 O ATOM 292 CB ALA A 21 0.720 -4.358 -12.345 1.00 0.00 C ATOM 0 H ALA A 21 -0.615 -4.474 -10.136 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.764 -5.944 -12.669 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.408 -4.683 -13.126 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.066 -3.580 -12.738 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.288 -3.963 -11.502 1.00 0.00 H new ATOM 298 N GLY A 22 1.054 -6.913 -10.212 1.00 0.00 N ATOM 299 CA GLY A 22 2.069 -7.872 -9.718 1.00 0.00 C ATOM 300 C GLY A 22 3.495 -7.321 -9.853 1.00 0.00 C ATOM 301 O GLY A 22 4.470 -8.071 -9.846 1.00 0.00 O ATOM 0 H GLY A 22 0.563 -6.416 -9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.868 -8.106 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.987 -8.805 -10.275 1.00 0.00 H new ATOM 305 N GLY A 23 3.569 -6.001 -9.674 1.00 0.00 N ATOM 306 CA GLY A 23 4.730 -5.177 -10.041 1.00 0.00 C ATOM 307 C GLY A 23 5.647 -4.832 -8.867 1.00 0.00 C ATOM 308 O GLY A 23 5.311 -4.980 -7.691 1.00 0.00 O ATOM 0 H GLY A 23 2.809 -5.460 -9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.310 -5.703 -10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.376 -4.252 -10.496 1.00 0.00 H new ATOM 312 N TRP A 24 6.760 -4.225 -9.272 1.00 0.00 N ATOM 313 CA TRP A 24 7.867 -3.827 -8.380 1.00 0.00 C ATOM 314 C TRP A 24 7.451 -2.882 -7.248 1.00 0.00 C ATOM 315 O TRP A 24 7.332 -1.675 -7.397 1.00 0.00 O ATOM 316 CB TRP A 24 9.003 -3.184 -9.164 1.00 0.00 C ATOM 317 CG TRP A 24 9.583 -4.117 -10.236 1.00 0.00 C ATOM 318 CD1 TRP A 24 9.354 -4.045 -11.552 1.00 0.00 C ATOM 319 CD2 TRP A 24 10.498 -5.137 -10.030 1.00 0.00 C ATOM 320 NE1 TRP A 24 10.074 -4.973 -12.181 1.00 0.00 N ATOM 321 CE2 TRP A 24 10.797 -5.660 -11.301 1.00 0.00 C ATOM 322 CE3 TRP A 24 11.114 -5.658 -8.870 1.00 0.00 C ATOM 323 CZ2 TRP A 24 11.708 -6.719 -11.440 1.00 0.00 C ATOM 324 CZ3 TRP A 24 12.028 -6.722 -9.017 1.00 0.00 C ATOM 325 CH2 TRP A 24 12.326 -7.246 -10.288 1.00 0.00 C ATOM 0 H TRP A 24 6.929 -3.987 -10.249 1.00 0.00 H new ATOM 0 HA TRP A 24 8.200 -4.757 -7.920 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.641 -2.272 -9.639 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.795 -2.892 -8.475 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.688 -3.343 -12.031 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.071 -5.133 -13.188 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.890 -5.251 -7.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.932 -7.124 -12.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.505 -7.140 -8.143 1.00 0.00 H new ATOM 0 HH2 TRP A 24 13.033 -8.057 -10.382 1.00 0.00 H new ATOM 336 N VAL A 25 7.296 -3.514 -6.086 1.00 0.00 N ATOM 337 CA VAL A 25 7.128 -2.781 -4.817 1.00 0.00 C ATOM 338 C VAL A 25 8.278 -1.801 -4.508 1.00 0.00 C ATOM 339 O VAL A 25 8.039 -0.723 -3.979 1.00 0.00 O ATOM 340 CB VAL A 25 6.859 -3.781 -3.696 1.00 0.00 C ATOM 341 CG1 VAL A 25 8.091 -4.535 -3.177 1.00 0.00 C ATOM 342 CG2 VAL A 25 6.126 -3.071 -2.554 1.00 0.00 C ATOM 0 H VAL A 25 7.282 -4.529 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 25 6.262 -2.126 -4.912 1.00 0.00 H new ATOM 0 HB VAL A 25 6.236 -4.563 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.791 -5.219 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.542 -5.100 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.816 -3.821 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.931 -3.781 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.743 -2.256 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.181 -2.671 -2.921 1.00 0.00 H new ATOM 352 N THR A 26 9.455 -2.094 -5.065 1.00 0.00 N ATOM 353 CA THR A 26 10.684 -1.303 -4.869 1.00 0.00 C ATOM 354 C THR A 26 10.535 0.139 -5.375 1.00 0.00 C ATOM 355 O THR A 26 10.738 1.096 -4.632 1.00 0.00 O ATOM 356 CB THR A 26 11.840 -2.002 -5.601 1.00 0.00 C ATOM 357 OG1 THR A 26 11.395 -2.406 -6.903 1.00 0.00 O ATOM 358 CG2 THR A 26 12.365 -3.212 -4.810 1.00 0.00 C ATOM 0 H THR A 26 9.589 -2.900 -5.676 1.00 0.00 H new ATOM 0 HA THR A 26 10.887 -1.244 -3.800 1.00 0.00 H new ATOM 0 HB THR A 26 12.667 -1.298 -5.696 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.129 -2.851 -7.376 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.182 -3.680 -5.360 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.726 -2.881 -3.836 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.560 -3.934 -4.672 1.00 0.00 H new ATOM 366 N THR A 27 9.981 0.235 -6.579 1.00 0.00 N ATOM 367 CA THR A 27 9.634 1.511 -7.239 1.00 0.00 C ATOM 368 C THR A 27 8.603 2.302 -6.406 1.00 0.00 C ATOM 369 O THR A 27 8.854 3.444 -6.042 1.00 0.00 O ATOM 370 CB THR A 27 9.039 1.226 -8.631 1.00 0.00 C ATOM 371 OG1 THR A 27 9.541 -0.020 -9.118 1.00 0.00 O ATOM 372 CG2 THR A 27 9.411 2.337 -9.607 1.00 0.00 C ATOM 0 H THR A 27 9.752 -0.583 -7.144 1.00 0.00 H new ATOM 0 HA THR A 27 10.543 2.106 -7.331 1.00 0.00 H new ATOM 0 HB THR A 27 7.953 1.180 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.292 -0.127 -10.060 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.983 2.120 -10.586 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.021 3.287 -9.243 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.496 2.399 -9.691 1.00 0.00 H new ATOM 380 N ILE A 28 7.588 1.600 -5.927 1.00 0.00 N ATOM 381 CA ILE A 28 6.508 2.169 -5.089 1.00 0.00 C ATOM 382 C ILE A 28 7.051 2.721 -3.753 1.00 0.00 C ATOM 383 O ILE A 28 6.805 3.886 -3.415 1.00 0.00 O ATOM 384 CB ILE A 28 5.405 1.100 -4.948 1.00 0.00 C ATOM 385 CG1 ILE A 28 4.459 1.145 -6.144 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.577 1.167 -3.652 1.00 0.00 C ATOM 387 CD1 ILE A 28 5.045 0.679 -7.484 1.00 0.00 C ATOM 0 H ILE A 28 7.476 0.602 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 28 6.063 3.044 -5.564 1.00 0.00 H new ATOM 0 HB ILE A 28 5.950 0.157 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.589 0.529 -5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.103 2.168 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.831 0.372 -3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.236 1.043 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.077 2.133 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.283 0.755 -8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.895 1.308 -7.748 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.373 -0.357 -7.397 1.00 0.00 H new ATOM 399 N VAL A 29 7.873 1.922 -3.091 1.00 0.00 N ATOM 400 CA VAL A 29 8.518 2.267 -1.804 1.00 0.00 C ATOM 401 C VAL A 29 9.253 3.630 -1.889 1.00 0.00 C ATOM 402 O VAL A 29 8.962 4.504 -1.076 1.00 0.00 O ATOM 403 CB VAL A 29 9.405 1.081 -1.374 1.00 0.00 C ATOM 404 CG1 VAL A 29 10.393 1.396 -0.241 1.00 0.00 C ATOM 405 CG2 VAL A 29 8.545 -0.113 -0.953 1.00 0.00 C ATOM 0 H VAL A 29 8.125 0.993 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 29 7.774 2.416 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 29 9.999 0.847 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.973 0.504 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.065 2.194 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.842 1.714 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.190 -0.939 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.910 0.174 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.921 -0.425 -1.791 1.00 0.00 H new ATOM 415 N SER A 30 9.975 3.851 -2.986 1.00 0.00 N ATOM 416 CA SER A 30 10.657 5.141 -3.223 1.00 0.00 C ATOM 417 C SER A 30 9.726 6.354 -3.425 1.00 0.00 C ATOM 418 O SER A 30 9.970 7.409 -2.849 1.00 0.00 O ATOM 419 CB SER A 30 11.743 5.062 -4.320 1.00 0.00 C ATOM 420 OG SER A 30 11.197 4.822 -5.619 1.00 0.00 O ATOM 0 H SER A 30 10.108 3.163 -3.727 1.00 0.00 H new ATOM 0 HA SER A 30 11.161 5.332 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.308 5.994 -4.334 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.446 4.267 -4.073 1.00 0.00 H new ATOM 0 HG SER A 30 10.363 4.314 -5.535 1.00 0.00 H new ATOM 426 N ILE A 31 8.546 6.111 -4.014 1.00 0.00 N ATOM 427 CA ILE A 31 7.505 7.148 -4.233 1.00 0.00 C ATOM 428 C ILE A 31 6.873 7.540 -2.881 1.00 0.00 C ATOM 429 O ILE A 31 6.651 8.710 -2.591 1.00 0.00 O ATOM 430 CB ILE A 31 6.455 6.612 -5.234 1.00 0.00 C ATOM 431 CG1 ILE A 31 7.060 6.067 -6.545 1.00 0.00 C ATOM 432 CG2 ILE A 31 5.345 7.626 -5.544 1.00 0.00 C ATOM 433 CD1 ILE A 31 7.943 7.036 -7.356 1.00 0.00 C ATOM 0 H ILE A 31 8.278 5.188 -4.356 1.00 0.00 H new ATOM 0 HA ILE A 31 7.946 8.048 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 31 6.006 5.767 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.654 5.185 -6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.242 5.735 -7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.641 7.189 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.821 7.885 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.784 8.525 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.306 6.534 -8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.357 7.910 -7.642 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.791 7.351 -6.748 1.00 0.00 H new ATOM 445 N LEU A 32 6.655 6.512 -2.051 1.00 0.00 N ATOM 446 CA LEU A 32 6.168 6.624 -0.660 1.00 0.00 C ATOM 447 C LEU A 32 7.129 7.421 0.246 1.00 0.00 C ATOM 448 O LEU A 32 6.713 8.335 0.949 1.00 0.00 O ATOM 449 CB LEU A 32 5.986 5.207 -0.101 1.00 0.00 C ATOM 450 CG LEU A 32 4.617 4.552 -0.327 1.00 0.00 C ATOM 451 CD1 LEU A 32 3.549 5.184 0.560 1.00 0.00 C ATOM 452 CD2 LEU A 32 4.150 4.525 -1.787 1.00 0.00 C ATOM 0 H LEU A 32 6.817 5.545 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 32 5.225 7.170 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.748 4.565 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.177 5.236 0.972 1.00 0.00 H new ATOM 0 HG LEU A 32 4.759 3.509 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.590 4.699 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.825 5.059 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.468 6.246 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.174 4.044 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.076 5.545 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.868 3.967 -2.388 1.00 0.00 H new ATOM 464 N THR A 33 8.402 7.029 0.247 1.00 0.00 N ATOM 465 CA THR A 33 9.462 7.691 1.047 1.00 0.00 C ATOM 466 C THR A 33 9.766 9.127 0.617 1.00 0.00 C ATOM 467 O THR A 33 10.224 9.925 1.431 1.00 0.00 O ATOM 468 CB THR A 33 10.747 6.882 1.031 1.00 0.00 C ATOM 469 OG1 THR A 33 11.020 6.404 -0.286 1.00 0.00 O ATOM 470 CG2 THR A 33 10.668 5.717 2.026 1.00 0.00 C ATOM 0 H THR A 33 8.741 6.241 -0.305 1.00 0.00 H new ATOM 0 HA THR A 33 9.059 7.740 2.059 1.00 0.00 H new ATOM 0 HB THR A 33 11.566 7.533 1.337 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.573 6.979 -0.942 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.599 5.151 1.998 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.511 6.107 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.838 5.064 1.756 1.00 0.00 H new ATOM 478 N ALA A 34 9.524 9.429 -0.656 1.00 0.00 N ATOM 479 CA ALA A 34 9.489 10.813 -1.189 1.00 0.00 C ATOM 480 C ALA A 34 8.542 11.759 -0.414 1.00 0.00 C ATOM 481 O ALA A 34 8.775 12.961 -0.358 1.00 0.00 O ATOM 482 CB ALA A 34 9.119 10.769 -2.673 1.00 0.00 C ATOM 0 H ALA A 34 9.343 8.719 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 34 10.486 11.233 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.091 11.783 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.863 10.186 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.139 10.306 -2.790 1.00 0.00 H new ATOM 488 N VAL A 35 7.481 11.192 0.168 1.00 0.00 N ATOM 489 CA VAL A 35 6.551 11.903 1.092 1.00 0.00 C ATOM 490 C VAL A 35 7.163 12.118 2.492 1.00 0.00 C ATOM 491 O VAL A 35 6.769 13.023 3.224 1.00 0.00 O ATOM 492 CB VAL A 35 5.217 11.117 1.182 1.00 0.00 C ATOM 493 CG1 VAL A 35 4.160 11.777 2.065 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.591 10.956 -0.200 1.00 0.00 C ATOM 0 H VAL A 35 7.229 10.215 0.018 1.00 0.00 H new ATOM 0 HA VAL A 35 6.363 12.896 0.685 1.00 0.00 H new ATOM 0 HB VAL A 35 5.495 10.161 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.259 11.164 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.543 11.874 3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.923 12.765 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.656 10.402 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.392 11.939 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.277 10.412 -0.849 1.00 0.00 H new ATOM 504 N GLY A 36 8.084 11.228 2.867 1.00 0.00 N ATOM 505 CA GLY A 36 8.747 11.207 4.191 1.00 0.00 C ATOM 506 C GLY A 36 8.077 10.197 5.124 1.00 0.00 C ATOM 507 O GLY A 36 8.145 8.987 4.907 1.00 0.00 O ATOM 0 H GLY A 36 8.403 10.481 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.800 10.953 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.708 12.201 4.637 1.00 0.00 H new ATOM 511 N SER A 37 7.239 10.751 5.996 1.00 0.00 N ATOM 512 CA SER A 37 6.513 10.000 7.049 1.00 0.00 C ATOM 513 C SER A 37 5.679 8.839 6.507 1.00 0.00 C ATOM 514 O SER A 37 5.933 7.696 6.890 1.00 0.00 O ATOM 515 CB SER A 37 5.612 10.932 7.854 1.00 0.00 C ATOM 516 OG SER A 37 5.027 11.893 6.964 1.00 0.00 O ATOM 0 H SER A 37 7.033 11.750 6.002 1.00 0.00 H new ATOM 0 HA SER A 37 7.285 9.573 7.690 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.832 10.361 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.188 11.437 8.629 1.00 0.00 H new ATOM 0 HG SER A 37 4.444 12.496 7.471 1.00 0.00 H new ATOM 522 N GLY A 38 4.912 9.127 5.451 1.00 0.00 N ATOM 523 CA GLY A 38 4.004 8.174 4.782 1.00 0.00 C ATOM 524 C GLY A 38 4.661 6.861 4.319 1.00 0.00 C ATOM 525 O GLY A 38 4.089 5.792 4.483 1.00 0.00 O ATOM 0 H GLY A 38 4.901 10.052 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.189 7.933 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.561 8.665 3.916 1.00 0.00 H new ATOM 529 N GLY A 39 5.875 6.997 3.776 1.00 0.00 N ATOM 530 CA GLY A 39 6.725 5.853 3.397 1.00 0.00 C ATOM 531 C GLY A 39 7.050 4.974 4.606 1.00 0.00 C ATOM 532 O GLY A 39 6.529 3.867 4.742 1.00 0.00 O ATOM 0 H GLY A 39 6.301 7.904 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.218 5.257 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.650 6.217 2.951 1.00 0.00 H new ATOM 536 N LEU A 40 7.670 5.606 5.591 1.00 0.00 N ATOM 537 CA LEU A 40 8.141 4.920 6.806 1.00 0.00 C ATOM 538 C LEU A 40 7.056 4.204 7.614 1.00 0.00 C ATOM 539 O LEU A 40 7.163 3.001 7.862 1.00 0.00 O ATOM 540 CB LEU A 40 8.893 5.938 7.692 1.00 0.00 C ATOM 541 CG LEU A 40 10.251 6.317 7.088 1.00 0.00 C ATOM 542 CD1 LEU A 40 10.761 7.612 7.710 1.00 0.00 C ATOM 543 CD2 LEU A 40 11.274 5.185 7.240 1.00 0.00 C ATOM 0 H LEU A 40 7.865 6.607 5.580 1.00 0.00 H new ATOM 0 HA LEU A 40 8.801 4.120 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.285 6.835 7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.041 5.516 8.686 1.00 0.00 H new ATOM 0 HG LEU A 40 10.113 6.478 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.726 7.870 7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.049 8.414 7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.874 7.479 8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.223 5.491 6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.418 4.965 8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.909 4.294 6.730 1.00 0.00 H new ATOM 555 N SER A 41 5.962 4.916 7.867 1.00 0.00 N ATOM 556 CA SER A 41 4.779 4.360 8.550 1.00 0.00 C ATOM 557 C SER A 41 4.114 3.176 7.816 1.00 0.00 C ATOM 558 O SER A 41 3.849 2.150 8.451 1.00 0.00 O ATOM 559 CB SER A 41 3.775 5.477 8.832 1.00 0.00 C ATOM 560 OG SER A 41 3.501 6.206 7.640 1.00 0.00 O ATOM 0 H SER A 41 5.862 5.897 7.607 1.00 0.00 H new ATOM 0 HA SER A 41 5.135 3.936 9.489 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.852 5.054 9.228 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.171 6.148 9.594 1.00 0.00 H new ATOM 0 HG SER A 41 4.243 6.818 7.453 1.00 0.00 H new ATOM 566 N LEU A 42 4.032 3.242 6.487 1.00 0.00 N ATOM 567 CA LEU A 42 3.538 2.113 5.662 1.00 0.00 C ATOM 568 C LEU A 42 4.467 0.898 5.785 1.00 0.00 C ATOM 569 O LEU A 42 4.031 -0.184 6.177 1.00 0.00 O ATOM 570 CB LEU A 42 3.442 2.530 4.187 1.00 0.00 C ATOM 571 CG LEU A 42 2.810 1.431 3.321 1.00 0.00 C ATOM 572 CD1 LEU A 42 1.281 1.445 3.440 1.00 0.00 C ATOM 573 CD2 LEU A 42 3.217 1.605 1.860 1.00 0.00 C ATOM 0 H LEU A 42 4.300 4.065 5.947 1.00 0.00 H new ATOM 0 HA LEU A 42 2.548 1.841 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.850 3.442 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.438 2.762 3.810 1.00 0.00 H new ATOM 0 HG LEU A 42 3.175 0.470 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.860 0.656 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.995 1.278 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.899 2.411 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.761 0.818 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.879 2.577 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.302 1.544 1.775 1.00 0.00 H new ATOM 585 N LEU A 43 5.763 1.165 5.630 1.00 0.00 N ATOM 586 CA LEU A 43 6.793 0.100 5.638 1.00 0.00 C ATOM 587 C LEU A 43 6.895 -0.688 6.950 1.00 0.00 C ATOM 588 O LEU A 43 7.120 -1.899 6.920 1.00 0.00 O ATOM 589 CB LEU A 43 8.154 0.646 5.186 1.00 0.00 C ATOM 590 CG LEU A 43 8.079 1.259 3.781 1.00 0.00 C ATOM 591 CD1 LEU A 43 9.463 1.766 3.368 1.00 0.00 C ATOM 592 CD2 LEU A 43 7.507 0.289 2.745 1.00 0.00 C ATOM 0 H LEU A 43 6.135 2.105 5.497 1.00 0.00 H new ATOM 0 HA LEU A 43 6.454 -0.636 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.498 1.400 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.890 -0.158 5.194 1.00 0.00 H new ATOM 0 HG LEU A 43 7.386 2.099 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.408 2.201 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.799 2.523 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.168 0.935 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.477 0.775 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.138 -0.598 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.498 -0.002 3.037 1.00 0.00 H new ATOM 604 N ALA A 44 6.527 -0.036 8.051 1.00 0.00 N ATOM 605 CA ALA A 44 6.445 -0.693 9.357 1.00 0.00 C ATOM 606 C ALA A 44 5.261 -1.686 9.457 1.00 0.00 C ATOM 607 O ALA A 44 5.490 -2.869 9.715 1.00 0.00 O ATOM 608 CB ALA A 44 6.363 0.340 10.481 1.00 0.00 C ATOM 0 H ALA A 44 6.279 0.953 8.066 1.00 0.00 H new ATOM 0 HA ALA A 44 7.361 -1.274 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.303 -0.172 11.442 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.252 0.971 10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.476 0.958 10.343 1.00 0.00 H new ATOM 614 N ALA A 45 4.085 -1.258 8.989 1.00 0.00 N ATOM 615 CA ALA A 45 2.861 -2.085 9.010 1.00 0.00 C ATOM 616 C ALA A 45 2.986 -3.323 8.104 1.00 0.00 C ATOM 617 O ALA A 45 2.735 -4.457 8.494 1.00 0.00 O ATOM 618 CB ALA A 45 1.675 -1.226 8.575 1.00 0.00 C ATOM 0 H ALA A 45 3.948 -0.332 8.585 1.00 0.00 H new ATOM 0 HA ALA A 45 2.708 -2.449 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.766 -1.828 8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.563 -0.386 9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.848 -0.851 7.566 1.00 0.00 H new ATOM 624 N ALA A 46 3.601 -3.066 6.947 1.00 0.00 N ATOM 625 CA ALA A 46 3.889 -4.032 5.883 1.00 0.00 C ATOM 626 C ALA A 46 4.765 -5.234 6.269 1.00 0.00 C ATOM 627 O ALA A 46 4.632 -6.320 5.696 1.00 0.00 O ATOM 628 CB ALA A 46 4.564 -3.253 4.773 1.00 0.00 C ATOM 0 H ALA A 46 3.929 -2.129 6.715 1.00 0.00 H new ATOM 0 HA ALA A 46 2.939 -4.485 5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.803 -3.926 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.894 -2.469 4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.482 -2.802 5.151 1.00 0.00 H new ATOM 634 N GLY A 47 5.600 -5.021 7.283 1.00 0.00 N ATOM 635 CA GLY A 47 6.576 -6.000 7.817 1.00 0.00 C ATOM 636 C GLY A 47 5.979 -7.393 8.063 1.00 0.00 C ATOM 637 O GLY A 47 6.454 -8.377 7.507 1.00 0.00 O ATOM 0 H GLY A 47 5.626 -4.132 7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.408 -6.089 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.985 -5.619 8.753 1.00 0.00 H new ATOM 641 N ARG A 48 4.752 -7.365 8.592 1.00 0.00 N ATOM 642 CA ARG A 48 3.994 -8.549 9.048 1.00 0.00 C ATOM 643 C ARG A 48 3.861 -9.654 7.983 1.00 0.00 C ATOM 644 O ARG A 48 4.082 -10.826 8.269 1.00 0.00 O ATOM 645 CB ARG A 48 2.612 -8.048 9.478 1.00 0.00 C ATOM 646 CG ARG A 48 1.830 -9.118 10.249 1.00 0.00 C ATOM 647 CD ARG A 48 0.357 -8.751 10.398 1.00 0.00 C ATOM 648 NE ARG A 48 -0.289 -8.770 9.071 1.00 0.00 N ATOM 649 CZ ARG A 48 -0.877 -7.737 8.458 1.00 0.00 C ATOM 650 NH1 ARG A 48 -0.838 -6.509 8.947 1.00 0.00 N ATOM 651 NH2 ARG A 48 -1.442 -7.932 7.276 1.00 0.00 N ATOM 0 H ARG A 48 4.237 -6.494 8.722 1.00 0.00 H new ATOM 0 HA ARG A 48 4.537 -9.018 9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.725 -7.161 10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.044 -7.748 8.597 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.915 -10.073 9.731 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.273 -9.250 11.236 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.139 -9.455 11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.261 -7.763 10.848 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.287 -9.660 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.347 -6.324 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.299 -5.747 8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.424 -8.858 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.895 -7.156 6.793 1.00 0.00 H new ATOM 665 N GLU A 49 3.479 -9.261 6.767 1.00 0.00 N ATOM 666 CA GLU A 49 3.268 -10.219 5.661 1.00 0.00 C ATOM 667 C GLU A 49 4.062 -9.893 4.379 1.00 0.00 C ATOM 668 O GLU A 49 3.662 -10.270 3.274 1.00 0.00 O ATOM 669 CB GLU A 49 1.757 -10.295 5.417 1.00 0.00 C ATOM 670 CG GLU A 49 1.349 -11.669 4.872 1.00 0.00 C ATOM 671 CD GLU A 49 -0.122 -11.692 4.443 1.00 0.00 C ATOM 672 OE1 GLU A 49 -0.388 -11.188 3.337 1.00 0.00 O ATOM 673 OE2 GLU A 49 -0.935 -12.200 5.244 1.00 0.00 O ATOM 0 H GLU A 49 3.307 -8.288 6.515 1.00 0.00 H new ATOM 0 HA GLU A 49 3.663 -11.192 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.226 -10.098 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.461 -9.519 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.981 -11.926 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.518 -12.429 5.635 1.00 0.00 H new ATOM 680 N SER A 50 5.295 -9.400 4.568 1.00 0.00 N ATOM 681 CA SER A 50 6.184 -8.857 3.504 1.00 0.00 C ATOM 682 C SER A 50 5.487 -7.813 2.623 1.00 0.00 C ATOM 683 O SER A 50 4.525 -8.110 1.928 1.00 0.00 O ATOM 684 CB SER A 50 6.797 -9.967 2.624 1.00 0.00 C ATOM 685 OG SER A 50 5.817 -10.576 1.776 1.00 0.00 O ATOM 0 H SER A 50 5.724 -9.362 5.492 1.00 0.00 H new ATOM 0 HA SER A 50 6.994 -8.358 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.596 -9.547 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.249 -10.727 3.261 1.00 0.00 H new ATOM 0 HG SER A 50 5.062 -10.886 2.319 1.00 0.00 H new ATOM 691 N ILE A 51 6.125 -6.649 2.493 1.00 0.00 N ATOM 692 CA ILE A 51 5.551 -5.452 1.812 1.00 0.00 C ATOM 693 C ILE A 51 4.717 -5.684 0.532 1.00 0.00 C ATOM 694 O ILE A 51 3.545 -5.316 0.499 1.00 0.00 O ATOM 695 CB ILE A 51 6.637 -4.343 1.659 1.00 0.00 C ATOM 696 CG1 ILE A 51 6.182 -3.076 0.920 1.00 0.00 C ATOM 697 CG2 ILE A 51 7.916 -4.855 0.995 1.00 0.00 C ATOM 698 CD1 ILE A 51 5.062 -2.265 1.580 1.00 0.00 C ATOM 0 H ILE A 51 7.065 -6.493 2.856 1.00 0.00 H new ATOM 0 HA ILE A 51 4.771 -5.104 2.489 1.00 0.00 H new ATOM 0 HB ILE A 51 6.835 -4.063 2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.047 -2.425 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.852 -3.363 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.636 -4.040 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.342 -5.658 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.683 -5.233 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.830 -1.396 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.172 -2.887 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.386 -1.934 2.567 1.00 0.00 H new ATOM 710 N LYS A 52 5.270 -6.422 -0.424 1.00 0.00 N ATOM 711 CA LYS A 52 4.580 -6.718 -1.687 1.00 0.00 C ATOM 712 C LYS A 52 3.331 -7.597 -1.515 1.00 0.00 C ATOM 713 O LYS A 52 2.217 -7.158 -1.780 1.00 0.00 O ATOM 714 CB LYS A 52 5.593 -7.362 -2.628 1.00 0.00 C ATOM 715 CG LYS A 52 5.046 -7.309 -4.049 1.00 0.00 C ATOM 716 CD LYS A 52 6.025 -7.975 -5.002 1.00 0.00 C ATOM 717 CE LYS A 52 5.302 -8.204 -6.317 1.00 0.00 C ATOM 718 NZ LYS A 52 6.035 -9.252 -7.021 1.00 0.00 N ATOM 0 H LYS A 52 6.201 -6.832 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 52 4.202 -5.785 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.547 -6.838 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.778 -8.395 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.080 -7.811 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.881 -6.273 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.902 -7.345 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.378 -8.920 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.269 -8.504 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.273 -7.288 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.574 -9.445 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.013 -8.940 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.040 -10.118 -6.446 1.00 0.00 H new ATOM 732 N ALA A 53 3.538 -8.782 -0.918 1.00 0.00 N ATOM 733 CA ALA A 53 2.483 -9.765 -0.624 1.00 0.00 C ATOM 734 C ALA A 53 1.400 -9.212 0.319 1.00 0.00 C ATOM 735 O ALA A 53 0.217 -9.363 0.044 1.00 0.00 O ATOM 736 CB ALA A 53 3.141 -11.013 -0.028 1.00 0.00 C ATOM 0 H ALA A 53 4.464 -9.090 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 53 1.970 -10.011 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.375 -11.755 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.849 -11.428 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.667 -10.745 0.888 1.00 0.00 H new ATOM 742 N TYR A 54 1.868 -8.420 1.289 1.00 0.00 N ATOM 743 CA TYR A 54 1.055 -7.597 2.202 1.00 0.00 C ATOM 744 C TYR A 54 0.012 -6.813 1.405 1.00 0.00 C ATOM 745 O TYR A 54 -1.144 -7.195 1.401 1.00 0.00 O ATOM 746 CB TYR A 54 1.971 -6.633 2.972 1.00 0.00 C ATOM 747 CG TYR A 54 1.232 -5.713 3.948 1.00 0.00 C ATOM 748 CD1 TYR A 54 0.828 -6.210 5.194 1.00 0.00 C ATOM 749 CD2 TYR A 54 0.984 -4.375 3.562 1.00 0.00 C ATOM 750 CE1 TYR A 54 0.170 -5.336 6.092 1.00 0.00 C ATOM 751 CE2 TYR A 54 0.320 -3.511 4.452 1.00 0.00 C ATOM 752 CZ TYR A 54 -0.085 -4.009 5.712 1.00 0.00 C ATOM 753 OH TYR A 54 -0.712 -3.173 6.573 1.00 0.00 O ATOM 0 H TYR A 54 2.868 -8.328 1.471 1.00 0.00 H new ATOM 0 HA TYR A 54 0.538 -8.243 2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.709 -7.214 3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.519 -6.020 2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.015 -7.239 5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.302 -4.020 2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.135 -5.689 7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.123 -2.485 4.178 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.602 -2.248 6.269 1.00 0.00 H new ATOM 763 N LEU A 55 0.487 -5.921 0.535 1.00 0.00 N ATOM 764 CA LEU A 55 -0.382 -5.033 -0.257 1.00 0.00 C ATOM 765 C LEU A 55 -1.285 -5.769 -1.240 1.00 0.00 C ATOM 766 O LEU A 55 -2.499 -5.576 -1.221 1.00 0.00 O ATOM 767 CB LEU A 55 0.417 -3.958 -0.998 1.00 0.00 C ATOM 768 CG LEU A 55 1.132 -3.031 -0.016 1.00 0.00 C ATOM 769 CD1 LEU A 55 2.134 -2.133 -0.748 1.00 0.00 C ATOM 770 CD2 LEU A 55 0.165 -2.150 0.787 1.00 0.00 C ATOM 0 H LEU A 55 1.482 -5.789 0.356 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.029 -4.556 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.147 -4.431 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.252 -3.376 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 55 1.654 -3.682 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.631 -1.481 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.877 -2.752 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.608 -1.526 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.732 -1.514 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.412 -1.527 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.512 -2.783 1.361 1.00 0.00 H new ATOM 782 N LYS A 56 -0.700 -6.761 -1.890 1.00 0.00 N ATOM 783 CA LYS A 56 -1.411 -7.626 -2.839 1.00 0.00 C ATOM 784 C LYS A 56 -2.642 -8.312 -2.235 1.00 0.00 C ATOM 785 O LYS A 56 -3.748 -8.078 -2.711 1.00 0.00 O ATOM 786 CB LYS A 56 -0.471 -8.627 -3.519 1.00 0.00 C ATOM 787 CG LYS A 56 0.440 -7.917 -4.530 1.00 0.00 C ATOM 788 CD LYS A 56 1.471 -8.860 -5.164 1.00 0.00 C ATOM 789 CE LYS A 56 0.865 -9.895 -6.123 1.00 0.00 C ATOM 790 NZ LYS A 56 0.542 -9.288 -7.414 1.00 0.00 N ATOM 0 H LYS A 56 0.286 -6.997 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.794 -6.962 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.136 -9.132 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.055 -9.395 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.172 -7.474 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.960 -7.099 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.207 -8.266 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.005 -9.384 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.567 -10.716 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.036 -10.321 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.455 -9.473 -7.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.701 -8.261 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.150 -9.697 -8.152 1.00 0.00 H new ATOM 804 N LYS A 57 -2.464 -8.837 -1.029 1.00 0.00 N ATOM 805 CA LYS A 57 -3.592 -9.392 -0.258 1.00 0.00 C ATOM 806 C LYS A 57 -4.453 -8.285 0.388 1.00 0.00 C ATOM 807 O LYS A 57 -5.668 -8.249 0.207 1.00 0.00 O ATOM 808 CB LYS A 57 -3.076 -10.356 0.805 1.00 0.00 C ATOM 809 CG LYS A 57 -4.290 -11.016 1.462 1.00 0.00 C ATOM 810 CD LYS A 57 -3.812 -11.930 2.577 1.00 0.00 C ATOM 811 CE LYS A 57 -5.008 -12.605 3.227 1.00 0.00 C ATOM 812 NZ LYS A 57 -4.468 -13.846 3.781 1.00 0.00 N ATOM 0 H LYS A 57 -1.561 -8.895 -0.559 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.233 -9.934 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.427 -11.109 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.481 -9.824 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.962 -10.256 1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.854 -11.586 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.129 -12.681 2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.257 -11.356 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.443 -11.979 4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.796 -12.804 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.229 -14.377 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.066 -14.422 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.724 -13.623 4.473 1.00 0.00 H new ATOM 826 N GLU A 58 -3.792 -7.369 1.075 1.00 0.00 N ATOM 827 CA GLU A 58 -4.439 -6.314 1.877 1.00 0.00 C ATOM 828 C GLU A 58 -5.437 -5.501 1.049 1.00 0.00 C ATOM 829 O GLU A 58 -6.636 -5.559 1.323 1.00 0.00 O ATOM 830 CB GLU A 58 -3.373 -5.380 2.454 1.00 0.00 C ATOM 831 CG GLU A 58 -3.794 -4.759 3.783 1.00 0.00 C ATOM 832 CD GLU A 58 -3.823 -5.832 4.875 1.00 0.00 C ATOM 833 OE1 GLU A 58 -2.724 -6.134 5.387 1.00 0.00 O ATOM 834 OE2 GLU A 58 -4.928 -6.329 5.170 1.00 0.00 O ATOM 0 H GLU A 58 -2.773 -7.326 1.099 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.989 -6.799 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.446 -5.936 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.164 -4.587 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.100 -3.965 4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.778 -4.301 3.685 1.00 0.00 H new ATOM 841 N ILE A 59 -4.973 -5.017 -0.095 1.00 0.00 N ATOM 842 CA ILE A 59 -5.793 -4.127 -0.947 1.00 0.00 C ATOM 843 C ILE A 59 -6.873 -4.907 -1.717 1.00 0.00 C ATOM 844 O ILE A 59 -7.947 -4.382 -1.978 1.00 0.00 O ATOM 845 CB ILE A 59 -4.881 -3.263 -1.837 1.00 0.00 C ATOM 846 CG1 ILE A 59 -3.817 -2.443 -1.079 1.00 0.00 C ATOM 847 CG2 ILE A 59 -5.678 -2.358 -2.773 1.00 0.00 C ATOM 848 CD1 ILE A 59 -4.041 -2.150 0.415 1.00 0.00 C ATOM 0 H ILE A 59 -4.043 -5.216 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.353 -3.438 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.330 -3.994 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.865 -2.966 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.708 -1.487 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.992 -1.768 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.305 -2.969 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.307 -1.690 -2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.206 -1.565 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.966 -1.588 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.110 -3.089 0.964 1.00 0.00 H new ATOM 860 N LYS A 60 -6.601 -6.183 -1.957 1.00 0.00 N ATOM 861 CA LYS A 60 -7.585 -7.117 -2.486 1.00 0.00 C ATOM 862 C LYS A 60 -8.838 -7.315 -1.617 1.00 0.00 C ATOM 863 O LYS A 60 -9.946 -7.487 -2.125 1.00 0.00 O ATOM 864 CB LYS A 60 -6.886 -8.439 -2.671 1.00 0.00 C ATOM 865 CG LYS A 60 -6.613 -8.589 -4.163 1.00 0.00 C ATOM 866 CD LYS A 60 -5.874 -9.901 -4.472 1.00 0.00 C ATOM 867 CE LYS A 60 -6.673 -11.138 -4.045 1.00 0.00 C ATOM 868 NZ LYS A 60 -8.005 -11.059 -4.655 1.00 0.00 N ATOM 0 H LYS A 60 -5.686 -6.601 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.961 -6.695 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.956 -8.467 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.506 -9.258 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.555 -8.563 -4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.018 -7.745 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.669 -9.956 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.911 -9.901 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.163 -12.048 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.755 -11.181 -2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.450 -11.999 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.593 -10.389 -4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.918 -10.733 -5.639 1.00 0.00 H new ATOM 882 N LYS A 61 -8.560 -7.342 -0.330 1.00 0.00 N ATOM 883 CA LYS A 61 -9.555 -7.454 0.754 1.00 0.00 C ATOM 884 C LYS A 61 -10.224 -6.095 1.029 1.00 0.00 C ATOM 885 O LYS A 61 -11.442 -5.986 1.125 1.00 0.00 O ATOM 886 CB LYS A 61 -8.885 -7.953 2.040 1.00 0.00 C ATOM 887 CG LYS A 61 -8.148 -9.291 1.871 1.00 0.00 C ATOM 888 CD LYS A 61 -9.110 -10.418 1.488 1.00 0.00 C ATOM 889 CE LYS A 61 -8.345 -11.636 0.969 1.00 0.00 C ATOM 890 NZ LYS A 61 -9.333 -12.662 0.644 1.00 0.00 N ATOM 0 H LYS A 61 -7.603 -7.285 0.019 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.316 -8.166 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.178 -7.200 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.643 -8.061 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.380 -9.190 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.638 -9.547 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.708 -10.701 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.803 -10.066 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.758 -11.375 0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.646 -12.000 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.848 -13.510 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.873 -12.907 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.982 -12.301 -0.084 1.00 0.00 H new ATOM 904 N LYS A 62 -9.359 -5.081 1.111 1.00 0.00 N ATOM 905 CA LYS A 62 -9.671 -3.682 1.453 1.00 0.00 C ATOM 906 C LYS A 62 -10.531 -2.943 0.420 1.00 0.00 C ATOM 907 O LYS A 62 -11.450 -2.203 0.778 1.00 0.00 O ATOM 908 CB LYS A 62 -8.328 -2.970 1.598 1.00 0.00 C ATOM 909 CG LYS A 62 -8.193 -2.189 2.903 1.00 0.00 C ATOM 910 CD LYS A 62 -8.038 -3.130 4.104 1.00 0.00 C ATOM 911 CE LYS A 62 -7.719 -2.338 5.371 1.00 0.00 C ATOM 912 NZ LYS A 62 -8.852 -1.472 5.714 1.00 0.00 N ATOM 0 H LYS A 62 -8.364 -5.217 0.931 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.268 -3.681 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.527 -3.707 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.195 -2.287 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.330 -1.526 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.071 -1.558 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.956 -3.700 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.243 -3.850 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.509 -3.021 6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.823 -1.737 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.712 -1.078 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.917 -0.696 5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.731 -2.027 5.694 1.00 0.00 H new ATOM 926 N GLY A 63 -10.070 -2.999 -0.825 1.00 0.00 N ATOM 927 CA GLY A 63 -10.662 -2.254 -1.963 1.00 0.00 C ATOM 928 C GLY A 63 -9.897 -0.952 -2.201 1.00 0.00 C ATOM 929 O GLY A 63 -9.935 -0.033 -1.384 1.00 0.00 O ATOM 0 H GLY A 63 -9.265 -3.566 -1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.635 -2.869 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.710 -2.036 -1.758 1.00 0.00 H new ATOM 933 N LYS A 64 -9.316 -0.870 -3.383 1.00 0.00 N ATOM 934 CA LYS A 64 -8.465 0.255 -3.861 1.00 0.00 C ATOM 935 C LYS A 64 -8.847 1.671 -3.429 1.00 0.00 C ATOM 936 O LYS A 64 -8.033 2.407 -2.871 1.00 0.00 O ATOM 937 CB LYS A 64 -8.378 0.223 -5.403 1.00 0.00 C ATOM 938 CG LYS A 64 -7.511 -0.884 -6.005 1.00 0.00 C ATOM 939 CD LYS A 64 -8.166 -2.272 -5.961 1.00 0.00 C ATOM 940 CE LYS A 64 -7.150 -3.359 -6.275 1.00 0.00 C ATOM 941 NZ LYS A 64 -7.761 -4.655 -5.963 1.00 0.00 N ATOM 0 H LYS A 64 -9.415 -1.606 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.511 0.068 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.388 0.123 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.994 1.184 -5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.283 -0.632 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.562 -0.922 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.597 -2.445 -4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.985 -2.315 -6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.860 -3.317 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.243 -3.214 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.084 -5.417 -6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.018 -4.684 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.615 -4.784 -6.542 1.00 0.00 H new ATOM 955 N ARG A 65 -10.132 1.967 -3.561 1.00 0.00 N ATOM 956 CA ARG A 65 -10.764 3.234 -3.158 1.00 0.00 C ATOM 957 C ARG A 65 -10.628 3.580 -1.673 1.00 0.00 C ATOM 958 O ARG A 65 -10.141 4.644 -1.295 1.00 0.00 O ATOM 959 CB ARG A 65 -12.223 3.044 -3.559 1.00 0.00 C ATOM 960 CG ARG A 65 -12.638 4.072 -4.588 1.00 0.00 C ATOM 961 CD ARG A 65 -12.668 5.462 -3.961 1.00 0.00 C ATOM 962 NE ARG A 65 -12.863 6.351 -5.097 1.00 0.00 N ATOM 963 CZ ARG A 65 -12.197 7.474 -5.344 1.00 0.00 C ATOM 964 NH1 ARG A 65 -11.274 7.960 -4.505 1.00 0.00 N ATOM 965 NH2 ARG A 65 -12.482 8.153 -6.435 1.00 0.00 N ATOM 0 H ARG A 65 -10.798 1.310 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.275 4.080 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -12.366 2.042 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -12.860 3.127 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.943 4.059 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.622 3.823 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.476 5.556 -3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.740 5.683 -3.434 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.582 6.086 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.060 7.464 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.785 8.826 -4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.203 7.815 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.982 9.018 -6.643 1.00 0.00 H new ATOM 979 N ALA A 66 -11.001 2.610 -0.847 1.00 0.00 N ATOM 980 CA ALA A 66 -10.849 2.687 0.613 1.00 0.00 C ATOM 981 C ALA A 66 -9.381 2.739 1.059 1.00 0.00 C ATOM 982 O ALA A 66 -9.065 3.429 2.018 1.00 0.00 O ATOM 983 CB ALA A 66 -11.572 1.505 1.257 1.00 0.00 C ATOM 0 H ALA A 66 -11.422 1.738 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.298 3.623 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.462 1.558 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.630 1.540 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.140 0.573 0.893 1.00 0.00 H new ATOM 989 N VAL A 67 -8.478 2.170 0.254 1.00 0.00 N ATOM 990 CA VAL A 67 -7.016 2.232 0.501 1.00 0.00 C ATOM 991 C VAL A 67 -6.492 3.673 0.347 1.00 0.00 C ATOM 992 O VAL A 67 -5.736 4.141 1.197 1.00 0.00 O ATOM 993 CB VAL A 67 -6.287 1.243 -0.411 1.00 0.00 C ATOM 994 CG1 VAL A 67 -4.768 1.300 -0.282 1.00 0.00 C ATOM 995 CG2 VAL A 67 -6.791 -0.176 -0.119 1.00 0.00 C ATOM 0 H VAL A 67 -8.729 1.652 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.815 1.937 1.531 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.512 1.528 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.318 0.572 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.418 2.300 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.481 1.069 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.275 -0.886 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.593 -0.425 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.863 -0.227 -0.307 1.00 0.00 H new ATOM 1005 N ILE A 68 -6.985 4.367 -0.683 1.00 0.00 N ATOM 1006 CA ILE A 68 -6.736 5.803 -0.895 1.00 0.00 C ATOM 1007 C ILE A 68 -7.055 6.610 0.386 1.00 0.00 C ATOM 1008 O ILE A 68 -6.220 7.401 0.829 1.00 0.00 O ATOM 1009 CB ILE A 68 -7.533 6.284 -2.141 1.00 0.00 C ATOM 1010 CG1 ILE A 68 -7.027 5.635 -3.440 1.00 0.00 C ATOM 1011 CG2 ILE A 68 -7.649 7.821 -2.266 1.00 0.00 C ATOM 1012 CD1 ILE A 68 -5.551 5.875 -3.765 1.00 0.00 C ATOM 0 H ILE A 68 -7.574 3.947 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.679 5.975 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.552 5.935 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.197 4.560 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.629 6.006 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.219 8.071 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.158 8.220 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.652 8.257 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.298 5.375 -4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.370 6.945 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.932 5.476 -2.961 1.00 0.00 H new ATOM 1024 N ALA A 69 -8.175 6.253 1.020 1.00 0.00 N ATOM 1025 CA ALA A 69 -8.585 6.859 2.299 1.00 0.00 C ATOM 1026 C ALA A 69 -7.698 6.414 3.475 1.00 0.00 C ATOM 1027 O ALA A 69 -6.988 7.234 4.070 1.00 0.00 O ATOM 1028 CB ALA A 69 -10.060 6.523 2.580 1.00 0.00 C ATOM 0 H ALA A 69 -8.820 5.544 0.670 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.463 7.938 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.362 6.972 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.682 6.917 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.182 5.441 2.636 1.00 0.00 H new ATOM 1034 N TRP A 70 -7.557 5.101 3.622 1.00 0.00 N ATOM 1035 CA TRP A 70 -6.791 4.397 4.681 1.00 0.00 C ATOM 1036 C TRP A 70 -5.363 4.930 4.829 1.00 0.00 C ATOM 1037 O TRP A 70 -4.995 5.474 5.869 1.00 0.00 O ATOM 1038 CB TRP A 70 -6.819 2.902 4.325 1.00 0.00 C ATOM 1039 CG TRP A 70 -6.010 2.016 5.277 1.00 0.00 C ATOM 1040 CD1 TRP A 70 -6.169 1.933 6.597 1.00 0.00 C ATOM 1041 CD2 TRP A 70 -4.951 1.172 4.938 1.00 0.00 C ATOM 1042 NE1 TRP A 70 -5.268 1.108 7.127 1.00 0.00 N ATOM 1043 CE2 TRP A 70 -4.509 0.613 6.149 1.00 0.00 C ATOM 1044 CE3 TRP A 70 -4.361 0.800 3.714 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 -3.469 -0.348 6.161 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 -3.330 -0.165 3.725 1.00 0.00 C ATOM 1047 CH2 TRP A 70 -2.888 -0.725 4.935 1.00 0.00 C ATOM 0 H TRP A 70 -7.995 4.447 2.973 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.248 4.570 5.655 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -7.854 2.560 4.320 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -6.436 2.774 3.313 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.924 2.462 7.160 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -5.174 0.890 8.119 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.690 1.244 2.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.129 -0.782 7.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.877 -0.475 2.795 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.092 -1.455 4.925 1.00 0.00 H new TER 1058 TRP A 70