USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 968 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 16 SER OG : rot -41:sc= 0.418 USER MOD Set 1.2: A 105 SER OG : rot 40:sc= 0.465 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0164 (180deg=-0.154) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.341 USER MOD Single : A 14 THR OG1 : rot -170:sc= -1.58 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.641 USER MOD Single : A 27 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.14) USER MOD Single : A 30 THR OG1 : rot 17:sc= 0.313 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 177:sc= 0 (180deg=-0.0108) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00589) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.508 F(o=-1.4,f=-0.51) USER MOD Single : A 71 SER OG : rot -145:sc= 0.458 USER MOD Single : A 74 SER OG : rot 137:sc= 0.155 USER MOD Single : A 80 THR OG1 : rot -60:sc= -2.8 USER MOD Single : A 82 HIS : no HD1:sc= -0.778 X(o=-0.78,f=-0.64) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -95:sc= 1.23 (180deg=-0.327) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 82:sc= 0.513 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.14) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.015 -1.823 17.203 1.00 0.00 N ATOM 2 CA MET A 1 -1.079 -0.976 16.660 1.00 0.00 C ATOM 3 C MET A 1 -0.695 -0.378 15.308 1.00 0.00 C ATOM 4 O MET A 1 -0.642 0.842 15.149 1.00 0.00 O ATOM 5 CB MET A 1 -1.377 0.137 17.666 1.00 0.00 C ATOM 6 CG MET A 1 -0.160 0.970 18.031 1.00 0.00 C ATOM 7 SD MET A 1 -0.583 2.436 18.992 1.00 0.00 S ATOM 8 CE MET A 1 -0.659 1.749 20.643 1.00 0.00 C ATOM 0 H1 MET A 1 -0.174 -2.035 18.203 1.00 0.00 H new ATOM 0 H2 MET A 1 0.066 -2.711 16.664 1.00 0.00 H new ATOM 0 H3 MET A 1 0.919 -1.316 17.122 1.00 0.00 H new ATOM 0 HA MET A 1 -1.966 -1.591 16.506 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.145 0.792 17.254 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.789 -0.305 18.573 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.538 0.356 18.600 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.354 1.274 17.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.912 2.536 21.353 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.421 0.970 20.678 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.309 1.322 20.904 1.00 0.00 H new ATOM 20 N LYS A 2 -0.428 -1.245 14.338 1.00 0.00 N ATOM 21 CA LYS A 2 -0.049 -0.802 13.001 1.00 0.00 C ATOM 22 C LYS A 2 -1.136 -1.133 11.984 1.00 0.00 C ATOM 23 O LYS A 2 -1.479 -2.299 11.781 1.00 0.00 O ATOM 24 CB LYS A 2 1.269 -1.446 12.580 1.00 0.00 C ATOM 25 CG LYS A 2 2.494 -0.768 13.174 1.00 0.00 C ATOM 26 CD LYS A 2 2.775 -1.261 14.584 1.00 0.00 C ATOM 27 CE LYS A 2 4.250 -1.565 14.787 1.00 0.00 C ATOM 28 NZ LYS A 2 4.607 -1.652 16.230 1.00 0.00 N ATOM 0 H LYS A 2 -0.467 -2.258 14.452 1.00 0.00 H new ATOM 0 HA LYS A 2 0.076 0.280 13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.263 -2.494 12.879 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.343 -1.425 11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.360 -0.960 12.541 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.343 0.311 13.188 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.456 -0.507 15.304 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.188 -2.158 14.780 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.498 -2.505 14.295 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.849 -0.789 14.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.621 -1.861 16.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.395 -0.746 16.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.054 -2.410 16.679 1.00 0.00 H new ATOM 42 N ARG A 3 -1.674 -0.099 11.344 1.00 0.00 N ATOM 43 CA ARG A 3 -2.720 -0.275 10.343 1.00 0.00 C ATOM 44 C ARG A 3 -2.192 0.071 8.953 1.00 0.00 C ATOM 45 O ARG A 3 -1.679 1.167 8.731 1.00 0.00 O ATOM 46 CB ARG A 3 -3.927 0.603 10.678 1.00 0.00 C ATOM 47 CG ARG A 3 -4.469 0.380 12.081 1.00 0.00 C ATOM 48 CD ARG A 3 -3.791 1.291 13.092 1.00 0.00 C ATOM 49 NE ARG A 3 -4.006 0.841 14.466 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.132 1.048 15.146 1.00 0.00 C ATOM 51 NH1 ARG A 3 -6.146 1.693 14.585 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.242 0.604 16.391 1.00 0.00 N ATOM 0 H ARG A 3 -1.402 0.871 11.502 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.031 -1.320 10.349 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.646 1.650 10.568 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.720 0.408 9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.544 0.561 12.090 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.319 -0.660 12.369 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.721 1.328 12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.173 2.306 12.979 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.249 0.339 14.931 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.066 2.034 13.627 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.006 1.848 15.112 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.465 0.105 16.825 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.103 0.761 16.914 1.00 0.00 H new ATOM 66 N VAL A 4 -2.317 -0.869 8.023 1.00 0.00 N ATOM 67 CA VAL A 4 -1.845 -0.659 6.659 1.00 0.00 C ATOM 68 C VAL A 4 -2.962 -0.882 5.645 1.00 0.00 C ATOM 69 O VAL A 4 -3.809 -1.756 5.822 1.00 0.00 O ATOM 70 CB VAL A 4 -0.671 -1.599 6.325 1.00 0.00 C ATOM 71 CG1 VAL A 4 -0.086 -1.263 4.962 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.398 -1.523 7.406 1.00 0.00 C ATOM 0 H VAL A 4 -2.740 -1.782 8.188 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.507 0.376 6.598 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.048 -2.621 6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.742 -1.938 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.855 -1.375 4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.276 -0.235 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.219 -2.194 7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.772 -0.502 7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.031 -1.819 8.363 1.00 0.00 H new ATOM 82 N LEU A 5 -2.954 -0.092 4.576 1.00 0.00 N ATOM 83 CA LEU A 5 -3.963 -0.214 3.532 1.00 0.00 C ATOM 84 C LEU A 5 -3.452 -1.102 2.403 1.00 0.00 C ATOM 85 O LEU A 5 -2.354 -0.894 1.887 1.00 0.00 O ATOM 86 CB LEU A 5 -4.346 1.165 2.989 1.00 0.00 C ATOM 87 CG LEU A 5 -5.481 1.166 1.960 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.754 0.596 2.565 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.726 2.574 1.436 1.00 0.00 C ATOM 0 H LEU A 5 -2.261 0.638 4.411 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.852 -0.674 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.635 1.801 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.464 1.617 2.535 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.184 0.533 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.548 0.606 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.575 -0.429 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.053 1.202 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.535 2.555 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.999 3.228 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.819 2.949 0.962 1.00 0.00 H new ATOM 101 N VAL A 6 -4.249 -2.096 2.029 1.00 0.00 N ATOM 102 CA VAL A 6 -3.866 -3.019 0.967 1.00 0.00 C ATOM 103 C VAL A 6 -4.756 -2.861 -0.256 1.00 0.00 C ATOM 104 O VAL A 6 -5.808 -3.491 -0.353 1.00 0.00 O ATOM 105 CB VAL A 6 -3.940 -4.483 1.436 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.326 -5.406 0.395 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.259 -4.655 2.783 1.00 0.00 C ATOM 0 H VAL A 6 -5.162 -2.283 2.444 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.837 -2.773 0.704 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.989 -4.752 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.386 -6.437 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.869 -5.307 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.281 -5.136 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.324 -5.698 3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.211 -4.366 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.752 -4.025 3.523 1.00 0.00 H new ATOM 117 N VAL A 7 -4.330 -2.026 -1.193 1.00 0.00 N ATOM 118 CA VAL A 7 -5.101 -1.810 -2.403 1.00 0.00 C ATOM 119 C VAL A 7 -4.697 -2.794 -3.493 1.00 0.00 C ATOM 120 O VAL A 7 -3.547 -2.817 -3.933 1.00 0.00 O ATOM 121 CB VAL A 7 -4.949 -0.365 -2.927 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.786 -0.152 -4.181 1.00 0.00 C ATOM 123 CG2 VAL A 7 -5.332 0.635 -1.844 1.00 0.00 C ATOM 0 H VAL A 7 -3.462 -1.493 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.147 -1.974 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.904 -0.203 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.663 0.873 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.459 -0.843 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.836 -0.333 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.220 1.649 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.368 0.472 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.682 0.501 -0.979 1.00 0.00 H new ATOM 133 N ASP A 8 -5.654 -3.609 -3.921 1.00 0.00 N ATOM 134 CA ASP A 8 -5.410 -4.604 -4.957 1.00 0.00 C ATOM 135 C ASP A 8 -6.701 -4.929 -5.703 1.00 0.00 C ATOM 136 O ASP A 8 -7.707 -5.296 -5.095 1.00 0.00 O ATOM 137 CB ASP A 8 -4.813 -5.874 -4.336 1.00 0.00 C ATOM 138 CG ASP A 8 -4.716 -7.022 -5.324 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.822 -6.766 -6.542 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.535 -8.174 -4.879 1.00 0.00 O ATOM 0 H ASP A 8 -6.610 -3.600 -3.565 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.697 -4.196 -5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.820 -5.650 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.426 -6.181 -3.488 1.00 0.00 H new ATOM 145 N ASP A 9 -6.665 -4.787 -7.024 1.00 0.00 N ATOM 146 CA ASP A 9 -7.828 -5.057 -7.861 1.00 0.00 C ATOM 147 C ASP A 9 -7.917 -6.538 -8.228 1.00 0.00 C ATOM 148 O ASP A 9 -8.126 -6.888 -9.391 1.00 0.00 O ATOM 149 CB ASP A 9 -7.770 -4.209 -9.133 1.00 0.00 C ATOM 150 CG ASP A 9 -9.121 -4.092 -9.811 1.00 0.00 C ATOM 151 OD1 ASP A 9 -10.143 -4.056 -9.094 1.00 0.00 O ATOM 152 OD2 ASP A 9 -9.158 -4.036 -11.057 1.00 0.00 O ATOM 0 H ASP A 9 -5.838 -4.485 -7.540 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.719 -4.794 -7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.403 -3.213 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.055 -4.649 -9.828 1.00 0.00 H new ATOM 157 N GLU A 10 -7.765 -7.402 -7.231 1.00 0.00 N ATOM 158 CA GLU A 10 -7.834 -8.843 -7.448 1.00 0.00 C ATOM 159 C GLU A 10 -8.950 -9.461 -6.611 1.00 0.00 C ATOM 160 O GLU A 10 -9.674 -10.343 -7.073 1.00 0.00 O ATOM 161 CB GLU A 10 -6.496 -9.498 -7.103 1.00 0.00 C ATOM 162 CG GLU A 10 -6.230 -10.781 -7.875 1.00 0.00 C ATOM 163 CD GLU A 10 -6.456 -12.024 -7.036 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.268 -11.950 -5.803 1.00 0.00 O ATOM 165 OE2 GLU A 10 -6.819 -13.071 -7.612 1.00 0.00 O ATOM 0 H GLU A 10 -7.593 -7.130 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.052 -9.019 -8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.692 -8.790 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.472 -9.715 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.879 -10.815 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.203 -10.775 -8.240 1.00 0.00 H new ATOM 172 N GLU A 11 -9.079 -8.990 -5.376 1.00 0.00 N ATOM 173 CA GLU A 11 -10.102 -9.487 -4.463 1.00 0.00 C ATOM 174 C GLU A 11 -10.039 -8.739 -3.136 1.00 0.00 C ATOM 175 O GLU A 11 -9.398 -7.693 -3.036 1.00 0.00 O ATOM 176 CB GLU A 11 -9.923 -10.989 -4.228 1.00 0.00 C ATOM 177 CG GLU A 11 -11.234 -11.756 -4.168 1.00 0.00 C ATOM 178 CD GLU A 11 -11.199 -13.037 -4.979 1.00 0.00 C ATOM 179 OE1 GLU A 11 -10.961 -12.959 -6.203 1.00 0.00 O ATOM 180 OE2 GLU A 11 -11.408 -14.118 -4.389 1.00 0.00 O ATOM 0 H GLU A 11 -8.485 -8.261 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.079 -9.317 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.306 -11.402 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.380 -11.140 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.464 -11.994 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.040 -11.120 -4.535 1.00 0.00 H new ATOM 187 N SER A 12 -10.701 -9.277 -2.115 1.00 0.00 N ATOM 188 CA SER A 12 -10.705 -8.649 -0.800 1.00 0.00 C ATOM 189 C SER A 12 -9.274 -8.469 -0.289 1.00 0.00 C ATOM 190 O SER A 12 -8.624 -7.468 -0.589 1.00 0.00 O ATOM 191 CB SER A 12 -11.532 -9.478 0.186 1.00 0.00 C ATOM 192 OG SER A 12 -11.154 -10.844 0.148 1.00 0.00 O ATOM 0 H SER A 12 -11.238 -10.142 -2.174 1.00 0.00 H new ATOM 0 HA SER A 12 -11.163 -7.664 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.398 -9.088 1.195 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.591 -9.384 -0.054 1.00 0.00 H new ATOM 0 HG SER A 12 -11.696 -11.351 0.788 1.00 0.00 H new ATOM 198 N ILE A 13 -8.779 -9.442 0.476 1.00 0.00 N ATOM 199 CA ILE A 13 -7.424 -9.370 1.007 1.00 0.00 C ATOM 200 C ILE A 13 -6.420 -9.957 0.025 1.00 0.00 C ATOM 201 O ILE A 13 -6.783 -10.716 -0.874 1.00 0.00 O ATOM 202 CB ILE A 13 -7.283 -10.121 2.345 1.00 0.00 C ATOM 203 CG1 ILE A 13 -8.506 -9.882 3.235 1.00 0.00 C ATOM 204 CG2 ILE A 13 -6.005 -9.697 3.053 1.00 0.00 C ATOM 205 CD1 ILE A 13 -8.629 -8.457 3.729 1.00 0.00 C ATOM 0 H ILE A 13 -9.294 -10.282 0.739 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.219 -8.312 1.169 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.225 -11.190 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.406 -10.143 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.456 -10.552 4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.917 -10.234 3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.146 -9.927 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.035 -8.625 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.518 -8.364 4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.747 -8.197 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.711 -7.782 2.877 1.00 0.00 H new ATOM 217 N THR A 14 -5.156 -9.609 0.215 1.00 0.00 N ATOM 218 CA THR A 14 -4.091 -10.110 -0.640 1.00 0.00 C ATOM 219 C THR A 14 -3.522 -11.407 -0.070 1.00 0.00 C ATOM 220 O THR A 14 -3.225 -11.495 1.121 1.00 0.00 O ATOM 221 CB THR A 14 -2.993 -9.054 -0.795 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.401 -8.755 0.456 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.497 -7.752 -1.386 1.00 0.00 C ATOM 0 H THR A 14 -4.843 -8.981 0.955 1.00 0.00 H new ATOM 0 HA THR A 14 -4.502 -10.322 -1.627 1.00 0.00 H new ATOM 0 HB THR A 14 -2.266 -9.492 -1.480 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.818 -7.973 0.363 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.670 -7.046 -1.470 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.916 -7.939 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.268 -7.333 -0.739 1.00 0.00 H new ATOM 231 N SER A 15 -3.395 -12.419 -0.924 1.00 0.00 N ATOM 232 CA SER A 15 -2.887 -13.724 -0.507 1.00 0.00 C ATOM 233 C SER A 15 -1.555 -13.615 0.232 1.00 0.00 C ATOM 234 O SER A 15 -0.676 -12.846 -0.154 1.00 0.00 O ATOM 235 CB SER A 15 -2.730 -14.639 -1.722 1.00 0.00 C ATOM 236 OG SER A 15 -3.969 -15.224 -2.084 1.00 0.00 O ATOM 0 H SER A 15 -3.638 -12.360 -1.913 1.00 0.00 H new ATOM 0 HA SER A 15 -3.615 -14.149 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.335 -14.068 -2.562 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.006 -15.423 -1.500 1.00 0.00 H new ATOM 0 HG SER A 15 -3.842 -15.803 -2.864 1.00 0.00 H new ATOM 242 N SER A 16 -1.416 -14.414 1.291 1.00 0.00 N ATOM 243 CA SER A 16 -0.194 -14.445 2.095 1.00 0.00 C ATOM 244 C SER A 16 -0.045 -13.207 2.978 1.00 0.00 C ATOM 245 O SER A 16 0.939 -13.078 3.704 1.00 0.00 O ATOM 246 CB SER A 16 1.034 -14.587 1.194 1.00 0.00 C ATOM 247 OG SER A 16 2.183 -14.930 1.948 1.00 0.00 O ATOM 0 H SER A 16 -2.142 -15.054 1.614 1.00 0.00 H new ATOM 0 HA SER A 16 -0.270 -15.311 2.752 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.849 -15.352 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.210 -13.651 0.663 1.00 0.00 H new ATOM 0 HG SER A 16 2.194 -14.413 2.781 1.00 0.00 H new ATOM 253 N LEU A 17 -1.013 -12.297 2.921 1.00 0.00 N ATOM 254 CA LEU A 17 -0.954 -11.082 3.728 1.00 0.00 C ATOM 255 C LEU A 17 -1.628 -11.287 5.083 1.00 0.00 C ATOM 256 O LEU A 17 -1.002 -11.124 6.131 1.00 0.00 O ATOM 257 CB LEU A 17 -1.632 -9.922 2.986 1.00 0.00 C ATOM 258 CG LEU A 17 -1.024 -8.517 3.180 1.00 0.00 C ATOM 259 CD1 LEU A 17 -2.085 -7.548 3.678 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.165 -8.533 4.137 1.00 0.00 C ATOM 0 H LEU A 17 -1.841 -12.376 2.330 1.00 0.00 H new ATOM 0 HA LEU A 17 0.096 -10.842 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.624 -10.151 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.676 -9.885 3.296 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.658 -8.184 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.643 -6.561 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.894 -7.488 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.480 -7.899 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.560 -7.523 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.157 -8.901 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.942 -9.187 3.741 1.00 0.00 H new ATOM 272 N SER A 18 -2.915 -11.631 5.052 1.00 0.00 N ATOM 273 CA SER A 18 -3.688 -11.845 6.274 1.00 0.00 C ATOM 274 C SER A 18 -2.929 -12.714 7.274 1.00 0.00 C ATOM 275 O SER A 18 -2.861 -12.398 8.461 1.00 0.00 O ATOM 276 CB SER A 18 -5.037 -12.487 5.947 1.00 0.00 C ATOM 277 OG SER A 18 -5.934 -12.375 7.039 1.00 0.00 O ATOM 0 H SER A 18 -3.445 -11.768 4.191 1.00 0.00 H new ATOM 0 HA SER A 18 -3.855 -10.870 6.731 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.468 -12.008 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.892 -13.538 5.698 1.00 0.00 H new ATOM 0 HG SER A 18 -6.789 -12.792 6.804 1.00 0.00 H new ATOM 283 N ALA A 19 -2.352 -13.804 6.793 1.00 0.00 N ATOM 284 CA ALA A 19 -1.592 -14.695 7.658 1.00 0.00 C ATOM 285 C ALA A 19 -0.437 -13.942 8.302 1.00 0.00 C ATOM 286 O ALA A 19 -0.065 -14.197 9.447 1.00 0.00 O ATOM 287 CB ALA A 19 -1.069 -15.877 6.862 1.00 0.00 C ATOM 0 H ALA A 19 -2.394 -14.092 5.816 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.250 -15.066 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.502 -16.536 7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.907 -16.426 6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.422 -15.519 6.062 1.00 0.00 H new ATOM 293 N ILE A 20 0.124 -13.015 7.539 1.00 0.00 N ATOM 294 CA ILE A 20 1.245 -12.205 7.998 1.00 0.00 C ATOM 295 C ILE A 20 0.796 -11.114 8.968 1.00 0.00 C ATOM 296 O ILE A 20 1.188 -11.121 10.135 1.00 0.00 O ATOM 297 CB ILE A 20 1.984 -11.567 6.802 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.841 -12.614 6.096 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.842 -10.390 7.245 1.00 0.00 C ATOM 300 CD1 ILE A 20 3.257 -12.201 4.705 1.00 0.00 C ATOM 0 H ILE A 20 -0.182 -12.803 6.589 1.00 0.00 H new ATOM 0 HA ILE A 20 1.926 -12.871 8.528 1.00 0.00 H new ATOM 0 HB ILE A 20 1.236 -11.190 6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.732 -12.807 6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.286 -13.551 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.349 -9.963 6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.209 -9.631 7.706 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.583 -10.732 7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.864 -12.988 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.370 -12.035 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.838 -11.281 4.757 1.00 0.00 H new ATOM 312 N LEU A 21 -0.012 -10.168 8.488 1.00 0.00 N ATOM 313 CA LEU A 21 -0.474 -9.078 9.344 1.00 0.00 C ATOM 314 C LEU A 21 -1.198 -9.596 10.592 1.00 0.00 C ATOM 315 O LEU A 21 -1.468 -8.832 11.519 1.00 0.00 O ATOM 316 CB LEU A 21 -1.304 -8.043 8.547 1.00 0.00 C ATOM 317 CG LEU A 21 -2.711 -8.445 8.119 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.818 -8.520 6.606 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.084 -9.755 8.748 1.00 0.00 C ATOM 0 H LEU A 21 -0.355 -10.134 7.528 1.00 0.00 H new ATOM 0 HA LEU A 21 0.407 -8.550 9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.382 -7.139 9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.742 -7.781 7.651 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.410 -7.682 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.831 -8.809 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.587 -7.545 6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.113 -9.260 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.091 -10.034 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.380 -10.524 8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.053 -9.659 9.833 1.00 0.00 H new ATOM 331 N GLU A 22 -1.494 -10.899 10.619 1.00 0.00 N ATOM 332 CA GLU A 22 -2.162 -11.512 11.759 1.00 0.00 C ATOM 333 C GLU A 22 -1.134 -11.993 12.776 1.00 0.00 C ATOM 334 O GLU A 22 -1.410 -12.046 13.975 1.00 0.00 O ATOM 335 CB GLU A 22 -3.032 -12.682 11.306 1.00 0.00 C ATOM 336 CG GLU A 22 -4.438 -12.274 10.896 1.00 0.00 C ATOM 337 CD GLU A 22 -5.371 -13.462 10.763 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.149 -14.293 9.857 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.322 -13.561 11.565 1.00 0.00 O ATOM 0 H GLU A 22 -1.279 -11.546 9.860 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.801 -10.762 12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.548 -13.180 10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.096 -13.411 12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.841 -11.580 11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.396 -11.741 9.946 1.00 0.00 H new ATOM 346 N GLU A 23 0.056 -12.338 12.288 1.00 0.00 N ATOM 347 CA GLU A 23 1.127 -12.805 13.151 1.00 0.00 C ATOM 348 C GLU A 23 1.826 -11.618 13.804 1.00 0.00 C ATOM 349 O GLU A 23 2.244 -11.686 14.960 1.00 0.00 O ATOM 350 CB GLU A 23 2.125 -13.637 12.339 1.00 0.00 C ATOM 351 CG GLU A 23 3.449 -13.874 13.046 1.00 0.00 C ATOM 352 CD GLU A 23 3.889 -15.324 12.996 1.00 0.00 C ATOM 353 OE1 GLU A 23 3.391 -16.123 13.816 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.732 -15.659 12.138 1.00 0.00 O ATOM 0 H GLU A 23 0.298 -12.301 11.298 1.00 0.00 H new ATOM 0 HA GLU A 23 0.707 -13.434 13.936 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.673 -14.600 12.103 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.316 -13.134 11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.217 -13.250 12.589 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.362 -13.561 14.086 1.00 0.00 H new ATOM 361 N GLU A 24 1.945 -10.530 13.051 1.00 0.00 N ATOM 362 CA GLU A 24 2.587 -9.321 13.548 1.00 0.00 C ATOM 363 C GLU A 24 1.652 -8.544 14.468 1.00 0.00 C ATOM 364 O GLU A 24 2.097 -7.866 15.395 1.00 0.00 O ATOM 365 CB GLU A 24 3.017 -8.434 12.384 1.00 0.00 C ATOM 366 CG GLU A 24 4.384 -8.785 11.822 1.00 0.00 C ATOM 367 CD GLU A 24 5.509 -8.473 12.789 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.746 -7.277 13.060 1.00 0.00 O ATOM 369 OE2 GLU A 24 6.154 -9.426 13.276 1.00 0.00 O ATOM 0 H GLU A 24 1.604 -10.462 12.092 1.00 0.00 H new ATOM 0 HA GLU A 24 3.467 -9.618 14.119 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.276 -8.510 11.588 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.025 -7.395 12.714 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.409 -9.846 11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.544 -8.235 10.895 1.00 0.00 H new ATOM 376 N GLY A 25 0.354 -8.636 14.198 1.00 0.00 N ATOM 377 CA GLY A 25 -0.624 -7.927 14.996 1.00 0.00 C ATOM 378 C GLY A 25 -0.970 -6.586 14.387 1.00 0.00 C ATOM 379 O GLY A 25 -1.063 -5.577 15.085 1.00 0.00 O ATOM 0 H GLY A 25 -0.037 -9.192 13.437 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.527 -8.530 15.087 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.236 -7.781 16.004 1.00 0.00 H new ATOM 383 N TYR A 26 -1.144 -6.581 13.071 1.00 0.00 N ATOM 384 CA TYR A 26 -1.461 -5.365 12.337 1.00 0.00 C ATOM 385 C TYR A 26 -2.962 -5.222 12.113 1.00 0.00 C ATOM 386 O TYR A 26 -3.762 -5.969 12.676 1.00 0.00 O ATOM 387 CB TYR A 26 -0.733 -5.375 10.994 1.00 0.00 C ATOM 388 CG TYR A 26 0.688 -4.874 11.074 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.610 -5.470 11.925 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.108 -3.802 10.299 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.911 -5.012 11.999 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.407 -3.339 10.367 1.00 0.00 C ATOM 393 CZ TYR A 26 3.305 -3.947 11.219 1.00 0.00 C ATOM 394 OH TYR A 26 4.600 -3.487 11.289 1.00 0.00 O ATOM 0 H TYR A 26 -1.070 -7.414 12.487 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.130 -4.513 12.931 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.730 -6.391 10.600 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.287 -4.760 10.285 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.305 -6.305 12.539 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.407 -3.322 9.632 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.616 -5.487 12.665 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.718 -2.505 9.756 1.00 0.00 H new ATOM 0 HH TYR A 26 5.199 -4.229 11.516 1.00 0.00 H new ATOM 404 N HIS A 27 -3.332 -4.251 11.282 1.00 0.00 N ATOM 405 CA HIS A 27 -4.732 -3.996 10.971 1.00 0.00 C ATOM 406 C HIS A 27 -4.889 -3.543 9.520 1.00 0.00 C ATOM 407 O HIS A 27 -4.775 -2.354 9.219 1.00 0.00 O ATOM 408 CB HIS A 27 -5.294 -2.929 11.913 1.00 0.00 C ATOM 409 CG HIS A 27 -6.616 -3.296 12.511 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.532 -2.361 12.944 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.177 -4.506 12.745 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.599 -2.980 13.419 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.409 -4.281 13.310 1.00 0.00 N ATOM 0 H HIS A 27 -2.677 -3.627 10.811 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.288 -4.923 11.107 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.578 -2.751 12.716 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.399 -1.992 11.366 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.738 -5.469 12.528 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.477 -2.502 13.827 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.070 -5.003 13.598 1.00 0.00 H new ATOM 422 N PRO A 28 -5.155 -4.485 8.599 1.00 0.00 N ATOM 423 CA PRO A 28 -5.324 -4.169 7.183 1.00 0.00 C ATOM 424 C PRO A 28 -6.712 -3.615 6.883 1.00 0.00 C ATOM 425 O PRO A 28 -7.691 -3.993 7.526 1.00 0.00 O ATOM 426 CB PRO A 28 -5.117 -5.517 6.498 1.00 0.00 C ATOM 427 CG PRO A 28 -5.558 -6.528 7.503 1.00 0.00 C ATOM 428 CD PRO A 28 -5.309 -5.927 8.865 1.00 0.00 C ATOM 0 HA PRO A 28 -4.633 -3.397 6.844 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.703 -5.589 5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.073 -5.664 6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.613 -6.767 7.373 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.003 -7.459 7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.139 -6.121 9.544 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.415 -6.345 9.328 1.00 0.00 H new ATOM 436 N ASP A 29 -6.793 -2.708 5.913 1.00 0.00 N ATOM 437 CA ASP A 29 -8.075 -2.107 5.559 1.00 0.00 C ATOM 438 C ASP A 29 -8.518 -2.446 4.149 1.00 0.00 C ATOM 439 O ASP A 29 -9.638 -2.133 3.755 1.00 0.00 O ATOM 440 CB ASP A 29 -8.040 -0.594 5.758 1.00 0.00 C ATOM 441 CG ASP A 29 -9.379 -0.041 6.203 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.749 -0.252 7.377 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.059 0.605 5.378 1.00 0.00 O ATOM 0 H ASP A 29 -5.999 -2.377 5.365 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.814 -2.539 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.282 -0.345 6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.743 -0.114 4.826 1.00 0.00 H new ATOM 448 N THR A 30 -7.634 -3.090 3.416 1.00 0.00 N ATOM 449 CA THR A 30 -7.869 -3.520 2.027 1.00 0.00 C ATOM 450 C THR A 30 -8.911 -2.683 1.278 1.00 0.00 C ATOM 451 O THR A 30 -10.055 -2.550 1.709 1.00 0.00 O ATOM 452 CB THR A 30 -8.279 -4.989 1.992 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.631 -5.142 2.385 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.435 -5.867 2.890 1.00 0.00 C ATOM 0 H THR A 30 -6.709 -3.341 3.764 1.00 0.00 H new ATOM 0 HA THR A 30 -6.922 -3.370 1.509 1.00 0.00 H new ATOM 0 HB THR A 30 -8.131 -5.306 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.088 -4.277 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.779 -6.899 2.818 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.392 -5.810 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.525 -5.526 3.921 1.00 0.00 H new ATOM 462 N ALA A 31 -8.507 -2.147 0.131 1.00 0.00 N ATOM 463 CA ALA A 31 -9.399 -1.346 -0.701 1.00 0.00 C ATOM 464 C ALA A 31 -9.157 -1.623 -2.182 1.00 0.00 C ATOM 465 O ALA A 31 -8.019 -1.803 -2.606 1.00 0.00 O ATOM 466 CB ALA A 31 -9.209 0.134 -0.405 1.00 0.00 C ATOM 0 H ALA A 31 -7.565 -2.253 -0.245 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.426 -1.624 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.881 0.720 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.433 0.327 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.177 0.417 -0.614 1.00 0.00 H new ATOM 472 N LYS A 32 -10.226 -1.655 -2.970 1.00 0.00 N ATOM 473 CA LYS A 32 -10.104 -1.907 -4.404 1.00 0.00 C ATOM 474 C LYS A 32 -9.212 -0.856 -5.059 1.00 0.00 C ATOM 475 O LYS A 32 -8.476 -0.146 -4.375 1.00 0.00 O ATOM 476 CB LYS A 32 -11.486 -1.918 -5.063 1.00 0.00 C ATOM 477 CG LYS A 32 -12.458 -2.889 -4.414 1.00 0.00 C ATOM 478 CD LYS A 32 -13.700 -3.090 -5.268 1.00 0.00 C ATOM 479 CE LYS A 32 -14.706 -1.970 -5.060 1.00 0.00 C ATOM 480 NZ LYS A 32 -16.069 -2.353 -5.524 1.00 0.00 N ATOM 0 H LYS A 32 -11.182 -1.511 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.644 -2.885 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.907 -0.913 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.376 -2.176 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.965 -3.848 -4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.747 -2.514 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.416 -3.135 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.162 -4.046 -5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.743 -1.707 -4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.376 -1.081 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.725 -1.562 -5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.039 -2.579 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.395 -3.186 -4.993 1.00 0.00 H new ATOM 494 N THR A 33 -9.250 -0.782 -6.386 1.00 0.00 N ATOM 495 CA THR A 33 -8.407 0.154 -7.126 1.00 0.00 C ATOM 496 C THR A 33 -8.459 1.560 -6.541 1.00 0.00 C ATOM 497 O THR A 33 -9.292 1.868 -5.688 1.00 0.00 O ATOM 498 CB THR A 33 -8.829 0.199 -8.596 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.023 0.944 -8.750 1.00 0.00 O ATOM 500 CG2 THR A 33 -9.063 -1.169 -9.200 1.00 0.00 C ATOM 0 H THR A 33 -9.855 -1.358 -6.971 1.00 0.00 H new ATOM 0 HA THR A 33 -7.381 -0.206 -7.045 1.00 0.00 H new ATOM 0 HB THR A 33 -7.996 0.669 -9.119 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.277 0.963 -9.696 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.359 -1.060 -10.243 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.145 -1.754 -9.142 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.854 -1.679 -8.650 1.00 0.00 H new ATOM 508 N LEU A 34 -7.537 2.398 -7.007 1.00 0.00 N ATOM 509 CA LEU A 34 -7.419 3.781 -6.549 1.00 0.00 C ATOM 510 C LEU A 34 -8.782 4.442 -6.373 1.00 0.00 C ATOM 511 O LEU A 34 -8.953 5.296 -5.505 1.00 0.00 O ATOM 512 CB LEU A 34 -6.562 4.588 -7.530 1.00 0.00 C ATOM 513 CG LEU A 34 -5.267 3.899 -7.971 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.546 4.731 -9.021 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.364 3.644 -6.771 1.00 0.00 C ATOM 0 H LEU A 34 -6.849 2.138 -7.714 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.935 3.765 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.159 4.809 -8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.310 5.543 -7.069 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.523 2.938 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.629 4.224 -9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.191 4.858 -9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.301 5.708 -8.605 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.448 3.154 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.116 4.592 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.881 3.003 -6.057 1.00 0.00 H new ATOM 527 N ARG A 35 -9.753 4.040 -7.183 1.00 0.00 N ATOM 528 CA ARG A 35 -11.095 4.599 -7.081 1.00 0.00 C ATOM 529 C ARG A 35 -11.639 4.385 -5.673 1.00 0.00 C ATOM 530 O ARG A 35 -11.870 5.340 -4.926 1.00 0.00 O ATOM 531 CB ARG A 35 -12.025 3.951 -8.108 1.00 0.00 C ATOM 532 CG ARG A 35 -13.103 4.887 -8.629 1.00 0.00 C ATOM 533 CD ARG A 35 -12.715 5.500 -9.967 1.00 0.00 C ATOM 534 NE ARG A 35 -12.895 6.949 -9.977 1.00 0.00 N ATOM 535 CZ ARG A 35 -14.076 7.549 -10.109 1.00 0.00 C ATOM 536 NH1 ARG A 35 -15.183 6.828 -10.243 1.00 0.00 N ATOM 537 NH2 ARG A 35 -14.151 8.872 -10.109 1.00 0.00 N ATOM 0 H ARG A 35 -9.639 3.335 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.045 5.668 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.431 3.592 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.499 3.079 -7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.039 4.340 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.279 5.680 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.674 5.262 -10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.317 5.054 -10.758 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.067 7.536 -9.877 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.131 5.809 -10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.085 7.293 -10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.304 9.431 -10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.056 9.332 -10.210 1.00 0.00 H new ATOM 551 N GLU A 36 -11.821 3.120 -5.311 1.00 0.00 N ATOM 552 CA GLU A 36 -12.318 2.768 -3.989 1.00 0.00 C ATOM 553 C GLU A 36 -11.320 3.188 -2.915 1.00 0.00 C ATOM 554 O GLU A 36 -11.709 3.570 -1.811 1.00 0.00 O ATOM 555 CB GLU A 36 -12.581 1.263 -3.904 1.00 0.00 C ATOM 556 CG GLU A 36 -13.809 0.907 -3.080 1.00 0.00 C ATOM 557 CD GLU A 36 -15.104 1.273 -3.777 1.00 0.00 C ATOM 558 OE1 GLU A 36 -15.309 0.823 -4.924 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.915 2.010 -3.176 1.00 0.00 O ATOM 0 H GLU A 36 -11.631 2.321 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.255 3.298 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.702 0.866 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.708 0.774 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.803 -0.163 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.759 1.421 -2.120 1.00 0.00 H new ATOM 566 N ALA A 37 -10.032 3.119 -3.245 1.00 0.00 N ATOM 567 CA ALA A 37 -8.988 3.501 -2.301 1.00 0.00 C ATOM 568 C ALA A 37 -9.071 4.985 -1.978 1.00 0.00 C ATOM 569 O ALA A 37 -9.284 5.362 -0.827 1.00 0.00 O ATOM 570 CB ALA A 37 -7.613 3.151 -2.854 1.00 0.00 C ATOM 0 H ALA A 37 -9.689 2.804 -4.153 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.141 2.941 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.847 3.443 -2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.554 2.077 -3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.452 3.682 -3.792 1.00 0.00 H new ATOM 576 N GLU A 38 -8.902 5.825 -2.999 1.00 0.00 N ATOM 577 CA GLU A 38 -8.963 7.271 -2.816 1.00 0.00 C ATOM 578 C GLU A 38 -10.136 7.649 -1.928 1.00 0.00 C ATOM 579 O GLU A 38 -10.009 8.493 -1.043 1.00 0.00 O ATOM 580 CB GLU A 38 -9.072 7.982 -4.162 1.00 0.00 C ATOM 581 CG GLU A 38 -7.729 8.361 -4.762 1.00 0.00 C ATOM 582 CD GLU A 38 -7.833 9.508 -5.748 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.716 10.372 -5.561 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.032 9.544 -6.705 1.00 0.00 O ATOM 0 H GLU A 38 -8.722 5.528 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.041 7.589 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.604 7.337 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.673 8.883 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.042 8.636 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.302 7.493 -5.264 1.00 0.00 H new ATOM 591 N LYS A 39 -11.275 7.004 -2.153 1.00 0.00 N ATOM 592 CA LYS A 39 -12.455 7.265 -1.344 1.00 0.00 C ATOM 593 C LYS A 39 -12.163 6.915 0.111 1.00 0.00 C ATOM 594 O LYS A 39 -12.385 7.721 1.015 1.00 0.00 O ATOM 595 CB LYS A 39 -13.646 6.455 -1.854 1.00 0.00 C ATOM 596 CG LYS A 39 -14.955 6.798 -1.164 1.00 0.00 C ATOM 597 CD LYS A 39 -15.225 5.873 0.012 1.00 0.00 C ATOM 598 CE LYS A 39 -16.550 6.198 0.683 1.00 0.00 C ATOM 599 NZ LYS A 39 -17.225 4.976 1.200 1.00 0.00 N ATOM 0 H LYS A 39 -11.404 6.303 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.707 8.323 -1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.755 6.621 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.439 5.394 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.924 7.831 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.774 6.727 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.234 4.839 -0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.417 5.961 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.380 6.894 1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.204 6.700 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.125 5.240 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.411 4.323 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.612 4.510 1.899 1.00 0.00 H new ATOM 613 N LYS A 40 -11.661 5.700 0.324 1.00 0.00 N ATOM 614 CA LYS A 40 -11.333 5.231 1.665 1.00 0.00 C ATOM 615 C LYS A 40 -10.225 6.074 2.293 1.00 0.00 C ATOM 616 O LYS A 40 -10.213 6.290 3.503 1.00 0.00 O ATOM 617 CB LYS A 40 -10.907 3.764 1.620 1.00 0.00 C ATOM 618 CG LYS A 40 -12.035 2.814 1.255 1.00 0.00 C ATOM 619 CD LYS A 40 -13.206 2.944 2.215 1.00 0.00 C ATOM 620 CE LYS A 40 -13.906 1.612 2.426 1.00 0.00 C ATOM 621 NZ LYS A 40 -14.360 1.439 3.833 1.00 0.00 N ATOM 0 H LYS A 40 -11.473 5.024 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.226 5.330 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.100 3.651 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.505 3.481 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.372 3.021 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.666 1.788 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.852 3.325 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.918 3.672 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.764 1.543 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.229 0.800 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.832 0.518 3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.539 1.479 4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.026 2.199 4.079 1.00 0.00 H new ATOM 635 N ILE A 41 -9.294 6.547 1.466 1.00 0.00 N ATOM 636 CA ILE A 41 -8.185 7.359 1.955 1.00 0.00 C ATOM 637 C ILE A 41 -8.536 8.846 1.971 1.00 0.00 C ATOM 638 O ILE A 41 -7.789 9.660 2.515 1.00 0.00 O ATOM 639 CB ILE A 41 -6.924 7.158 1.097 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.634 5.667 0.909 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.732 7.859 1.731 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.956 5.345 -0.405 1.00 0.00 C ATOM 0 H ILE A 41 -9.287 6.382 0.459 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.988 7.029 2.975 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.101 7.599 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.004 5.321 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.570 5.112 0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.848 7.707 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.939 8.926 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.554 7.447 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.781 4.271 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.594 5.660 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.004 5.872 -0.462 1.00 0.00 H new ATOM 654 N LYS A 42 -9.670 9.197 1.371 1.00 0.00 N ATOM 655 CA LYS A 42 -10.107 10.589 1.317 1.00 0.00 C ATOM 656 C LYS A 42 -10.246 11.186 2.714 1.00 0.00 C ATOM 657 O LYS A 42 -10.255 12.408 2.876 1.00 0.00 O ATOM 658 CB LYS A 42 -11.433 10.697 0.571 1.00 0.00 C ATOM 659 CG LYS A 42 -11.580 11.984 -0.226 1.00 0.00 C ATOM 660 CD LYS A 42 -13.040 12.303 -0.507 1.00 0.00 C ATOM 661 CE LYS A 42 -13.547 13.428 0.382 1.00 0.00 C ATOM 662 NZ LYS A 42 -15.025 13.583 0.293 1.00 0.00 N ATOM 0 H LYS A 42 -10.302 8.538 0.916 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.345 11.156 0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.530 9.848 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.251 10.628 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.126 12.808 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.039 11.894 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.157 12.584 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.646 11.411 -0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.264 13.229 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.066 14.363 0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.331 14.360 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.293 13.798 -0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.485 12.700 0.592 1.00 0.00 H new ATOM 676 N GLU A 43 -10.357 10.326 3.723 1.00 0.00 N ATOM 677 CA GLU A 43 -10.498 10.783 5.099 1.00 0.00 C ATOM 678 C GLU A 43 -9.583 10.000 6.035 1.00 0.00 C ATOM 679 O GLU A 43 -8.884 10.582 6.865 1.00 0.00 O ATOM 680 CB GLU A 43 -11.951 10.649 5.556 1.00 0.00 C ATOM 681 CG GLU A 43 -12.946 11.331 4.630 1.00 0.00 C ATOM 682 CD GLU A 43 -14.377 11.198 5.111 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.682 10.197 5.794 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.192 12.092 4.806 1.00 0.00 O ATOM 0 H GLU A 43 -10.352 9.312 3.612 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.207 11.833 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.203 9.591 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.049 11.072 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.692 12.388 4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.861 10.901 3.632 1.00 0.00 H new ATOM 691 N LEU A 44 -9.593 8.678 5.900 1.00 0.00 N ATOM 692 CA LEU A 44 -8.765 7.818 6.736 1.00 0.00 C ATOM 693 C LEU A 44 -7.287 8.175 6.597 1.00 0.00 C ATOM 694 O LEU A 44 -6.744 8.190 5.493 1.00 0.00 O ATOM 695 CB LEU A 44 -8.987 6.348 6.369 1.00 0.00 C ATOM 696 CG LEU A 44 -9.260 5.420 7.553 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.083 5.421 8.516 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.537 5.833 8.269 1.00 0.00 C ATOM 0 H LEU A 44 -10.166 8.179 5.219 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.058 7.974 7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.826 6.285 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.107 5.985 5.838 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.390 4.407 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.296 4.755 9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.188 5.077 7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.920 6.432 8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.716 5.162 9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.434 6.854 8.636 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.376 5.779 7.576 1.00 0.00 H new ATOM 710 N PHE A 45 -6.644 8.459 7.725 1.00 0.00 N ATOM 711 CA PHE A 45 -5.229 8.814 7.731 1.00 0.00 C ATOM 712 C PHE A 45 -4.358 7.563 7.758 1.00 0.00 C ATOM 713 O PHE A 45 -3.737 7.246 8.773 1.00 0.00 O ATOM 714 CB PHE A 45 -4.910 9.702 8.934 1.00 0.00 C ATOM 715 CG PHE A 45 -3.535 10.305 8.888 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.182 11.180 7.873 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.594 9.995 9.858 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.917 11.736 7.828 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.328 10.548 9.818 1.00 0.00 C ATOM 720 CZ PHE A 45 -0.990 11.419 8.802 1.00 0.00 C ATOM 0 H PHE A 45 -7.080 8.450 8.647 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.012 9.366 6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.647 10.503 8.990 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.009 9.113 9.846 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.903 11.430 7.109 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.853 9.313 10.654 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.654 12.417 7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.605 10.299 10.580 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.001 11.852 8.768 1.00 0.00 H new ATOM 730 N PHE A 46 -4.317 6.854 6.634 1.00 0.00 N ATOM 731 CA PHE A 46 -3.524 5.635 6.526 1.00 0.00 C ATOM 732 C PHE A 46 -2.030 5.942 6.636 1.00 0.00 C ATOM 733 O PHE A 46 -1.509 6.780 5.902 1.00 0.00 O ATOM 734 CB PHE A 46 -3.809 4.936 5.196 1.00 0.00 C ATOM 735 CG PHE A 46 -5.053 4.095 5.209 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.165 3.011 6.065 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.109 4.387 4.361 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.308 2.234 6.076 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.255 3.614 4.368 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.354 2.536 5.226 1.00 0.00 C ATOM 0 H PHE A 46 -4.824 7.103 5.785 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.804 4.977 7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.898 5.688 4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.958 4.306 4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.350 2.771 6.731 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.036 5.228 3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.383 1.392 6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.072 3.853 3.703 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.248 1.930 5.232 1.00 0.00 H new ATOM 750 N PRO A 47 -1.315 5.260 7.552 1.00 0.00 N ATOM 751 CA PRO A 47 0.121 5.465 7.740 1.00 0.00 C ATOM 752 C PRO A 47 0.948 4.729 6.689 1.00 0.00 C ATOM 753 O PRO A 47 2.058 5.143 6.353 1.00 0.00 O ATOM 754 CB PRO A 47 0.371 4.877 9.125 1.00 0.00 C ATOM 755 CG PRO A 47 -0.638 3.788 9.254 1.00 0.00 C ATOM 756 CD PRO A 47 -1.848 4.234 8.471 1.00 0.00 C ATOM 0 HA PRO A 47 0.408 6.512 7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.386 4.491 9.215 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.246 5.629 9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.247 2.848 8.863 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.893 3.617 10.300 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.300 3.405 7.926 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.618 4.644 9.124 1.00 0.00 H new ATOM 764 N VAL A 48 0.394 3.636 6.175 1.00 0.00 N ATOM 765 CA VAL A 48 1.070 2.836 5.163 1.00 0.00 C ATOM 766 C VAL A 48 0.094 2.343 4.103 1.00 0.00 C ATOM 767 O VAL A 48 -0.978 1.832 4.421 1.00 0.00 O ATOM 768 CB VAL A 48 1.775 1.624 5.790 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.838 1.074 4.852 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.375 2.008 7.127 1.00 0.00 C ATOM 0 H VAL A 48 -0.525 3.284 6.445 1.00 0.00 H new ATOM 0 HA VAL A 48 1.812 3.483 4.695 1.00 0.00 H new ATOM 0 HB VAL A 48 1.039 0.837 5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.324 0.216 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.373 0.765 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.580 1.846 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.873 1.143 7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.100 2.810 6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.585 2.349 7.796 1.00 0.00 H new ATOM 780 N ILE A 49 0.475 2.505 2.844 1.00 0.00 N ATOM 781 CA ILE A 49 -0.360 2.079 1.728 1.00 0.00 C ATOM 782 C ILE A 49 0.343 1.020 0.889 1.00 0.00 C ATOM 783 O ILE A 49 1.568 1.022 0.765 1.00 0.00 O ATOM 784 CB ILE A 49 -0.735 3.265 0.819 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.167 4.470 1.659 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.841 2.864 -0.147 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.372 4.196 2.530 1.00 0.00 C ATOM 0 H ILE A 49 1.360 2.930 2.568 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.268 1.658 2.159 1.00 0.00 H new ATOM 0 HB ILE A 49 0.144 3.548 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.335 4.780 2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.391 5.305 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.095 3.713 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.499 2.036 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.722 2.556 0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.622 5.093 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.218 3.915 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.145 3.382 3.219 1.00 0.00 H new ATOM 799 N VAL A 50 -0.442 0.121 0.307 1.00 0.00 N ATOM 800 CA VAL A 50 0.099 -0.939 -0.530 1.00 0.00 C ATOM 801 C VAL A 50 -0.744 -1.110 -1.783 1.00 0.00 C ATOM 802 O VAL A 50 -1.842 -1.659 -1.738 1.00 0.00 O ATOM 803 CB VAL A 50 0.174 -2.274 0.230 1.00 0.00 C ATOM 804 CG1 VAL A 50 0.799 -3.360 -0.635 1.00 0.00 C ATOM 805 CG2 VAL A 50 0.958 -2.092 1.518 1.00 0.00 C ATOM 0 H VAL A 50 -1.458 0.107 0.401 1.00 0.00 H new ATOM 0 HA VAL A 50 1.111 -0.649 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.839 -2.591 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.840 -4.293 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.197 -3.502 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.808 -3.063 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.007 -3.041 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.968 -1.754 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.463 -1.350 2.144 1.00 0.00 H new ATOM 815 N LEU A 51 -0.223 -0.625 -2.900 1.00 0.00 N ATOM 816 CA LEU A 51 -0.933 -0.708 -4.170 1.00 0.00 C ATOM 817 C LEU A 51 -0.437 -1.874 -5.018 1.00 0.00 C ATOM 818 O LEU A 51 0.565 -1.763 -5.726 1.00 0.00 O ATOM 819 CB LEU A 51 -0.783 0.601 -4.949 1.00 0.00 C ATOM 820 CG LEU A 51 -1.374 0.588 -6.361 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.895 0.601 -6.305 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.856 1.769 -7.168 1.00 0.00 C ATOM 0 H LEU A 51 0.688 -0.170 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.986 -0.878 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.258 1.400 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.277 0.845 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.058 -0.330 -6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.296 0.592 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.247 -0.279 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.232 1.500 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.287 1.743 -8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.139 2.699 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.230 1.713 -7.239 1.00 0.00 H new ATOM 834 N ASP A 52 -1.161 -2.985 -4.957 1.00 0.00 N ATOM 835 CA ASP A 52 -0.817 -4.171 -5.733 1.00 0.00 C ATOM 836 C ASP A 52 -1.374 -4.047 -7.148 1.00 0.00 C ATOM 837 O ASP A 52 -2.526 -4.399 -7.404 1.00 0.00 O ATOM 838 CB ASP A 52 -1.368 -5.428 -5.055 1.00 0.00 C ATOM 839 CG ASP A 52 -0.274 -6.392 -4.640 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.619 -5.980 -3.870 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.310 -7.558 -5.085 1.00 0.00 O ATOM 0 H ASP A 52 -1.993 -3.090 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 52 0.269 -4.254 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.946 -5.139 -4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.054 -5.933 -5.736 1.00 0.00 H new ATOM 846 N VAL A 53 -0.555 -3.528 -8.056 1.00 0.00 N ATOM 847 CA VAL A 53 -0.965 -3.337 -9.443 1.00 0.00 C ATOM 848 C VAL A 53 -1.264 -4.666 -10.134 1.00 0.00 C ATOM 849 O VAL A 53 -0.488 -5.137 -10.965 1.00 0.00 O ATOM 850 CB VAL A 53 0.115 -2.578 -10.241 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.304 -1.179 -9.677 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.431 -3.339 -10.233 1.00 0.00 C ATOM 0 H VAL A 53 0.400 -3.231 -7.856 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.880 -2.744 -9.421 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.220 -2.494 -11.275 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.069 -0.656 -10.250 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.636 -0.631 -9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.614 -1.246 -8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.176 -2.783 -10.802 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.775 -3.460 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.287 -4.320 -10.685 1.00 0.00 H new ATOM 862 N TRP A 54 -2.402 -5.265 -9.791 1.00 0.00 N ATOM 863 CA TRP A 54 -2.804 -6.534 -10.388 1.00 0.00 C ATOM 864 C TRP A 54 -3.458 -6.302 -11.749 1.00 0.00 C ATOM 865 O TRP A 54 -2.818 -6.460 -12.789 1.00 0.00 O ATOM 866 CB TRP A 54 -3.763 -7.281 -9.455 1.00 0.00 C ATOM 867 CG TRP A 54 -4.305 -8.547 -10.045 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.616 -8.914 -10.135 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.548 -9.615 -10.629 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.722 -10.144 -10.738 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.467 -10.594 -11.050 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.184 -9.836 -10.837 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -4.064 -11.776 -11.667 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.785 -11.009 -11.448 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.722 -11.967 -11.858 1.00 0.00 C ATOM 0 H TRP A 54 -3.059 -4.893 -9.105 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.913 -7.145 -10.534 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.244 -7.516 -8.526 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.594 -6.624 -9.199 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.449 -8.324 -9.783 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.593 -10.641 -10.923 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.455 -9.103 -10.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.785 -12.515 -11.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.733 -11.191 -11.612 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.379 -12.874 -12.334 1.00 0.00 H new ATOM 886 N MET A 55 -4.732 -5.922 -11.735 1.00 0.00 N ATOM 887 CA MET A 55 -5.465 -5.662 -12.968 1.00 0.00 C ATOM 888 C MET A 55 -6.471 -4.526 -12.773 1.00 0.00 C ATOM 889 O MET A 55 -7.677 -4.722 -12.921 1.00 0.00 O ATOM 890 CB MET A 55 -6.187 -6.928 -13.433 1.00 0.00 C ATOM 891 CG MET A 55 -5.274 -8.137 -13.564 1.00 0.00 C ATOM 892 SD MET A 55 -4.108 -7.982 -14.930 1.00 0.00 S ATOM 893 CE MET A 55 -3.065 -9.411 -14.648 1.00 0.00 C ATOM 0 H MET A 55 -5.277 -5.788 -10.884 1.00 0.00 H new ATOM 0 HA MET A 55 -4.749 -5.361 -13.733 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.985 -7.161 -12.728 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.659 -6.734 -14.396 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.722 -8.273 -12.634 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.880 -9.031 -13.709 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.324 -9.484 -15.445 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.557 -9.307 -13.689 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.678 -10.312 -14.639 1.00 0.00 H new ATOM 903 N PRO A 56 -5.985 -3.316 -12.436 1.00 0.00 N ATOM 904 CA PRO A 56 -6.830 -2.152 -12.220 1.00 0.00 C ATOM 905 C PRO A 56 -7.070 -1.364 -13.504 1.00 0.00 C ATOM 906 O PRO A 56 -6.920 -1.894 -14.606 1.00 0.00 O ATOM 907 CB PRO A 56 -6.025 -1.315 -11.215 1.00 0.00 C ATOM 908 CG PRO A 56 -4.634 -1.883 -11.202 1.00 0.00 C ATOM 909 CD PRO A 56 -4.575 -2.978 -12.237 1.00 0.00 C ATOM 0 HA PRO A 56 -7.824 -2.426 -11.868 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.012 -0.265 -11.507 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.473 -1.364 -10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.902 -1.107 -11.425 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.391 -2.276 -10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.107 -2.636 -13.160 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.000 -3.835 -11.886 1.00 0.00 H new ATOM 917 N ASP A 57 -7.445 -0.097 -13.357 1.00 0.00 N ATOM 918 CA ASP A 57 -7.704 0.760 -14.508 1.00 0.00 C ATOM 919 C ASP A 57 -7.482 2.230 -14.161 1.00 0.00 C ATOM 920 O ASP A 57 -8.060 3.119 -14.788 1.00 0.00 O ATOM 921 CB ASP A 57 -9.135 0.555 -15.010 1.00 0.00 C ATOM 922 CG ASP A 57 -10.168 0.778 -13.922 1.00 0.00 C ATOM 923 OD1 ASP A 57 -10.001 1.731 -13.132 1.00 0.00 O ATOM 924 OD2 ASP A 57 -11.142 0.000 -13.859 1.00 0.00 O ATOM 0 H ASP A 57 -7.576 0.358 -12.454 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.003 0.484 -15.296 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.329 1.239 -15.836 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.238 -0.457 -15.403 1.00 0.00 H new ATOM 929 N GLY A 58 -6.639 2.482 -13.163 1.00 0.00 N ATOM 930 CA GLY A 58 -6.356 3.847 -12.759 1.00 0.00 C ATOM 931 C GLY A 58 -4.873 4.109 -12.588 1.00 0.00 C ATOM 932 O GLY A 58 -4.480 5.149 -12.060 1.00 0.00 O ATOM 0 H GLY A 58 -6.148 1.766 -12.628 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.759 4.533 -13.504 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.869 4.058 -11.821 1.00 0.00 H new ATOM 936 N ASP A 59 -4.042 3.166 -13.029 1.00 0.00 N ATOM 937 CA ASP A 59 -2.596 3.312 -12.909 1.00 0.00 C ATOM 938 C ASP A 59 -2.209 3.552 -11.451 1.00 0.00 C ATOM 939 O ASP A 59 -2.958 3.198 -10.542 1.00 0.00 O ATOM 940 CB ASP A 59 -2.108 4.466 -13.790 1.00 0.00 C ATOM 941 CG ASP A 59 -2.714 4.432 -15.180 1.00 0.00 C ATOM 942 OD1 ASP A 59 -3.959 4.455 -15.286 1.00 0.00 O ATOM 943 OD2 ASP A 59 -1.945 4.381 -16.163 1.00 0.00 O ATOM 0 H ASP A 59 -4.345 2.298 -13.470 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.119 2.392 -13.246 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.356 5.414 -13.312 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.022 4.424 -13.870 1.00 0.00 H new ATOM 948 N GLY A 60 -1.045 4.153 -11.229 1.00 0.00 N ATOM 949 CA GLY A 60 -0.606 4.422 -9.873 1.00 0.00 C ATOM 950 C GLY A 60 0.551 5.402 -9.810 1.00 0.00 C ATOM 951 O GLY A 60 1.291 5.434 -8.826 1.00 0.00 O ATOM 0 H GLY A 60 -0.401 4.457 -11.959 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.443 4.818 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.309 3.486 -9.400 1.00 0.00 H new ATOM 955 N VAL A 61 0.710 6.205 -10.858 1.00 0.00 N ATOM 956 CA VAL A 61 1.775 7.186 -10.915 1.00 0.00 C ATOM 957 C VAL A 61 1.346 8.492 -10.258 1.00 0.00 C ATOM 958 O VAL A 61 2.093 9.084 -9.479 1.00 0.00 O ATOM 959 CB VAL A 61 2.181 7.464 -12.369 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.427 8.320 -12.410 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.392 6.161 -13.126 1.00 0.00 C ATOM 0 H VAL A 61 0.108 6.191 -11.681 1.00 0.00 H new ATOM 0 HA VAL A 61 2.628 6.776 -10.374 1.00 0.00 H new ATOM 0 HB VAL A 61 1.374 8.009 -12.858 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.704 8.510 -13.447 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.234 9.267 -11.907 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.242 7.801 -11.906 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.679 6.380 -14.154 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.181 5.584 -12.644 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.467 5.584 -13.123 1.00 0.00 H new ATOM 971 N ASN A 62 0.135 8.935 -10.575 1.00 0.00 N ATOM 972 CA ASN A 62 -0.398 10.171 -10.014 1.00 0.00 C ATOM 973 C ASN A 62 -0.995 9.935 -8.626 1.00 0.00 C ATOM 974 O ASN A 62 -1.477 10.870 -7.984 1.00 0.00 O ATOM 975 CB ASN A 62 -1.461 10.757 -10.948 1.00 0.00 C ATOM 976 CG ASN A 62 -1.134 12.173 -11.378 1.00 0.00 C ATOM 977 OD1 ASN A 62 -1.819 13.123 -10.998 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.081 12.322 -12.173 1.00 0.00 N ATOM 0 H ASN A 62 -0.497 8.457 -11.218 1.00 0.00 H new ATOM 0 HA ASN A 62 0.424 10.879 -9.915 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.554 10.124 -11.831 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.428 10.747 -10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.189 13.252 -12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.458 11.506 -12.463 1.00 0.00 H new ATOM 985 N PHE A 63 -0.964 8.686 -8.165 1.00 0.00 N ATOM 986 CA PHE A 63 -1.505 8.344 -6.854 1.00 0.00 C ATOM 987 C PHE A 63 -0.560 8.779 -5.742 1.00 0.00 C ATOM 988 O PHE A 63 -0.998 9.288 -4.711 1.00 0.00 O ATOM 989 CB PHE A 63 -1.758 6.837 -6.756 1.00 0.00 C ATOM 990 CG PHE A 63 -2.658 6.449 -5.615 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.819 7.159 -5.357 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.345 5.367 -4.806 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.651 6.801 -4.313 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.175 5.003 -3.761 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.329 5.720 -3.514 1.00 0.00 C ATOM 0 H PHE A 63 -0.571 7.897 -8.679 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.450 8.875 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.200 6.490 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.803 6.323 -6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.077 8.003 -5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.444 4.803 -4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.552 7.365 -4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.920 4.158 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.978 5.437 -2.699 1.00 0.00 H new ATOM 1005 N ILE A 64 0.741 8.575 -5.957 1.00 0.00 N ATOM 1006 CA ILE A 64 1.756 8.943 -4.969 1.00 0.00 C ATOM 1007 C ILE A 64 1.479 10.319 -4.376 1.00 0.00 C ATOM 1008 O ILE A 64 1.674 10.542 -3.180 1.00 0.00 O ATOM 1009 CB ILE A 64 3.172 8.944 -5.579 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.433 7.645 -6.347 1.00 0.00 C ATOM 1011 CG2 ILE A 64 4.217 9.140 -4.490 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.858 7.872 -7.781 1.00 0.00 C ATOM 0 H ILE A 64 1.117 8.156 -6.808 1.00 0.00 H new ATOM 0 HA ILE A 64 1.706 8.190 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 64 3.243 9.774 -6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.207 7.076 -5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.529 7.036 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.212 9.138 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.046 10.092 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.143 8.330 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.026 6.911 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.075 8.414 -8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.779 8.454 -7.800 1.00 0.00 H new ATOM 1024 N ASP A 65 1.018 11.238 -5.216 1.00 0.00 N ATOM 1025 CA ASP A 65 0.710 12.589 -4.769 1.00 0.00 C ATOM 1026 C ASP A 65 -0.467 12.574 -3.805 1.00 0.00 C ATOM 1027 O ASP A 65 -0.383 13.122 -2.708 1.00 0.00 O ATOM 1028 CB ASP A 65 0.405 13.495 -5.962 1.00 0.00 C ATOM 1029 CG ASP A 65 0.333 14.959 -5.573 1.00 0.00 C ATOM 1030 OD1 ASP A 65 1.256 15.435 -4.879 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.647 15.629 -5.962 1.00 0.00 O ATOM 0 H ASP A 65 0.850 11.072 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 65 1.583 12.984 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.175 13.361 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.542 13.194 -6.411 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.559 11.933 -4.210 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.743 11.839 -3.366 1.00 0.00 C ATOM 1038 C PHE A 66 -2.369 11.272 -1.999 1.00 0.00 C ATOM 1039 O PHE A 66 -3.009 11.575 -0.992 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.802 10.961 -4.044 1.00 0.00 C ATOM 1041 CG PHE A 66 -4.892 10.490 -3.121 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.982 11.298 -2.844 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -4.824 9.237 -2.535 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.985 10.865 -1.999 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -5.823 8.798 -1.689 1.00 0.00 C ATOM 1046 CZ PHE A 66 -6.906 9.612 -1.419 1.00 0.00 C ATOM 0 H PHE A 66 -1.648 11.472 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.159 12.836 -3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.252 11.521 -4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.311 10.092 -4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.049 12.278 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.980 8.596 -2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.830 11.504 -1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.758 7.819 -1.239 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.688 9.271 -0.757 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.318 10.456 -1.973 1.00 0.00 N ATOM 1057 CA ILE A 67 -0.848 9.860 -0.730 1.00 0.00 C ATOM 1058 C ILE A 67 -0.261 10.931 0.181 1.00 0.00 C ATOM 1059 O ILE A 67 -0.677 11.082 1.329 1.00 0.00 O ATOM 1060 CB ILE A 67 0.222 8.773 -0.978 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -0.076 7.972 -2.253 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.317 7.847 0.222 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.516 7.517 -2.389 1.00 0.00 C ATOM 0 H ILE A 67 -0.778 10.194 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.711 9.393 -0.255 1.00 0.00 H new ATOM 0 HB ILE A 67 1.181 9.271 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.182 8.582 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.572 7.096 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.074 7.086 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.592 8.423 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.647 7.367 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.635 6.959 -3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.777 6.878 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.173 8.387 -2.401 1.00 0.00 H new ATOM 1075 N LYS A 68 0.702 11.682 -0.347 1.00 0.00 N ATOM 1076 CA LYS A 68 1.338 12.751 0.416 1.00 0.00 C ATOM 1077 C LYS A 68 0.375 13.921 0.605 1.00 0.00 C ATOM 1078 O LYS A 68 0.531 14.726 1.523 1.00 0.00 O ATOM 1079 CB LYS A 68 2.608 13.227 -0.293 1.00 0.00 C ATOM 1080 CG LYS A 68 3.538 12.095 -0.700 1.00 0.00 C ATOM 1081 CD LYS A 68 4.977 12.570 -0.822 1.00 0.00 C ATOM 1082 CE LYS A 68 5.381 12.760 -2.275 1.00 0.00 C ATOM 1083 NZ LYS A 68 4.650 13.890 -2.912 1.00 0.00 N ATOM 0 H LYS A 68 1.058 11.570 -1.296 1.00 0.00 H new ATOM 0 HA LYS A 68 1.607 12.359 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.328 13.793 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.146 13.910 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.480 11.293 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.210 11.678 -1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.097 13.510 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.641 11.846 -0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.454 12.944 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.185 11.842 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.966 13.997 -3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.628 13.696 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.844 14.768 -2.389 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.622 14.003 -0.272 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.617 15.066 -0.209 1.00 0.00 C ATOM 1099 C GLU A 69 -2.410 14.985 1.089 1.00 0.00 C ATOM 1100 O GLU A 69 -2.521 15.966 1.825 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.565 14.973 -1.404 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.458 16.193 -1.569 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.320 16.118 -2.814 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -3.788 16.350 -3.920 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.528 15.828 -2.683 1.00 0.00 O ATOM 0 H GLU A 69 -0.761 13.343 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.097 16.023 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.979 14.837 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.191 14.087 -1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.099 16.291 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.839 17.089 -1.613 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.963 13.809 1.359 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.754 13.593 2.566 1.00 0.00 C ATOM 1114 C ASN A 70 -3.052 12.629 3.520 1.00 0.00 C ATOM 1115 O ASN A 70 -3.678 12.069 4.420 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.138 13.052 2.197 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.716 13.733 0.971 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.197 13.384 -0.202 1.00 0.00 O flip ATOM 1119 ND2 ASN A 70 -6.619 14.564 1.076 1.00 0.00 N flip ATOM 0 H ASN A 70 -2.879 12.989 0.758 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.866 14.551 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.069 11.979 2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.816 13.190 3.040 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.988 14.802 1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.998 15.014 0.242 1.00 0.00 H new ATOM 1126 N SER A 71 -1.750 12.441 3.322 1.00 0.00 N ATOM 1127 CA SER A 71 -0.969 11.548 4.169 1.00 0.00 C ATOM 1128 C SER A 71 0.528 11.816 4.006 1.00 0.00 C ATOM 1129 O SER A 71 1.264 10.989 3.467 1.00 0.00 O ATOM 1130 CB SER A 71 -1.285 10.088 3.834 1.00 0.00 C ATOM 1131 OG SER A 71 -2.034 9.477 4.870 1.00 0.00 O ATOM 0 H SER A 71 -1.215 12.896 2.582 1.00 0.00 H new ATOM 0 HA SER A 71 -1.240 11.738 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.844 10.039 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.357 9.538 3.679 1.00 0.00 H new ATOM 0 HG SER A 71 -1.777 8.535 4.948 1.00 0.00 H new ATOM 1137 N PRO A 72 0.998 12.988 4.469 1.00 0.00 N ATOM 1138 CA PRO A 72 2.409 13.371 4.373 1.00 0.00 C ATOM 1139 C PRO A 72 3.295 12.553 5.300 1.00 0.00 C ATOM 1140 O PRO A 72 4.510 12.476 5.114 1.00 0.00 O ATOM 1141 CB PRO A 72 2.424 14.852 4.786 1.00 0.00 C ATOM 1142 CG PRO A 72 0.991 15.273 4.842 1.00 0.00 C ATOM 1143 CD PRO A 72 0.197 14.032 5.119 1.00 0.00 C ATOM 0 HA PRO A 72 2.802 13.197 3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.908 14.983 5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.980 15.453 4.067 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.835 16.017 5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.683 15.729 3.901 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.087 13.852 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.808 14.092 4.701 1.00 0.00 H new ATOM 1151 N ASP A 73 2.674 11.946 6.295 1.00 0.00 N ATOM 1152 CA ASP A 73 3.389 11.124 7.264 1.00 0.00 C ATOM 1153 C ASP A 73 2.988 9.658 7.132 1.00 0.00 C ATOM 1154 O ASP A 73 2.896 8.936 8.125 1.00 0.00 O ATOM 1155 CB ASP A 73 3.115 11.615 8.683 1.00 0.00 C ATOM 1156 CG ASP A 73 4.115 11.077 9.687 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.712 10.015 9.418 1.00 0.00 O ATOM 1158 OD2 ASP A 73 4.303 11.721 10.742 1.00 0.00 O ATOM 0 H ASP A 73 1.669 12.006 6.457 1.00 0.00 H new ATOM 0 HA ASP A 73 4.456 11.210 7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.140 12.705 8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.110 11.315 8.980 1.00 0.00 H new ATOM 1163 N SER A 74 2.747 9.229 5.898 1.00 0.00 N ATOM 1164 CA SER A 74 2.351 7.852 5.630 1.00 0.00 C ATOM 1165 C SER A 74 3.447 7.111 4.862 1.00 0.00 C ATOM 1166 O SER A 74 4.615 7.495 4.912 1.00 0.00 O ATOM 1167 CB SER A 74 1.039 7.831 4.841 1.00 0.00 C ATOM 1168 OG SER A 74 0.590 6.504 4.627 1.00 0.00 O ATOM 0 H SER A 74 2.819 9.816 5.067 1.00 0.00 H new ATOM 0 HA SER A 74 2.201 7.342 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.277 8.392 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.181 8.329 3.882 1.00 0.00 H new ATOM 0 HG SER A 74 -0.375 6.454 4.792 1.00 0.00 H new ATOM 1174 N VAL A 75 3.065 6.053 4.150 1.00 0.00 N ATOM 1175 CA VAL A 75 4.029 5.281 3.377 1.00 0.00 C ATOM 1176 C VAL A 75 3.423 4.721 2.099 1.00 0.00 C ATOM 1177 O VAL A 75 2.286 4.257 2.079 1.00 0.00 O ATOM 1178 CB VAL A 75 4.627 4.122 4.195 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.670 3.384 3.366 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.231 4.640 5.492 1.00 0.00 C ATOM 0 H VAL A 75 2.104 5.715 4.094 1.00 0.00 H new ATOM 0 HA VAL A 75 4.823 5.980 3.115 1.00 0.00 H new ATOM 0 HB VAL A 75 3.831 3.423 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.088 2.566 3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.203 2.984 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.466 4.073 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.649 3.807 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.020 5.357 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.457 5.128 6.084 1.00 0.00 H new ATOM 1190 N VAL A 76 4.200 4.787 1.027 1.00 0.00 N ATOM 1191 CA VAL A 76 3.757 4.298 -0.273 1.00 0.00 C ATOM 1192 C VAL A 76 4.647 3.162 -0.766 1.00 0.00 C ATOM 1193 O VAL A 76 5.535 3.370 -1.591 1.00 0.00 O ATOM 1194 CB VAL A 76 3.744 5.417 -1.332 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.861 5.027 -2.508 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.281 6.733 -0.724 1.00 0.00 C ATOM 0 H VAL A 76 5.143 5.175 1.031 1.00 0.00 H new ATOM 0 HA VAL A 76 2.740 3.931 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 76 4.762 5.554 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.863 5.829 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.244 4.113 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.842 4.859 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.280 7.508 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.273 6.615 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.958 7.020 0.081 1.00 0.00 H new ATOM 1206 N ILE A 77 4.398 1.959 -0.257 1.00 0.00 N ATOM 1207 CA ILE A 77 5.174 0.792 -0.652 1.00 0.00 C ATOM 1208 C ILE A 77 4.944 0.462 -2.122 1.00 0.00 C ATOM 1209 O ILE A 77 5.890 0.372 -2.904 1.00 0.00 O ATOM 1210 CB ILE A 77 4.817 -0.439 0.206 1.00 0.00 C ATOM 1211 CG1 ILE A 77 4.911 -0.097 1.694 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.732 -1.607 -0.134 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.289 0.360 2.124 1.00 0.00 C ATOM 0 H ILE A 77 3.667 1.769 0.428 1.00 0.00 H new ATOM 0 HA ILE A 77 6.224 1.037 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 77 3.791 -0.731 -0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.189 0.686 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.629 -0.973 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.467 -2.468 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.618 -1.864 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.767 -1.327 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.281 0.585 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.013 -0.430 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.566 1.255 1.566 1.00 0.00 H new ATOM 1225 N VAL A 78 3.678 0.287 -2.491 1.00 0.00 N ATOM 1226 CA VAL A 78 3.316 -0.029 -3.870 1.00 0.00 C ATOM 1227 C VAL A 78 4.152 -1.183 -4.412 1.00 0.00 C ATOM 1228 O VAL A 78 5.219 -0.976 -4.990 1.00 0.00 O ATOM 1229 CB VAL A 78 3.486 1.198 -4.787 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.971 0.895 -6.186 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.771 2.404 -4.199 1.00 0.00 C ATOM 0 H VAL A 78 2.885 0.359 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 78 2.267 -0.325 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 78 4.548 1.432 -4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.099 1.773 -6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.530 0.059 -6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.914 0.635 -6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.901 3.262 -4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.709 2.183 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.190 2.633 -3.219 1.00 0.00 H new ATOM 1241 N ILE A 79 3.655 -2.400 -4.222 1.00 0.00 N ATOM 1242 CA ILE A 79 4.348 -3.595 -4.690 1.00 0.00 C ATOM 1243 C ILE A 79 3.740 -4.070 -6.010 1.00 0.00 C ATOM 1244 O ILE A 79 2.880 -3.394 -6.574 1.00 0.00 O ATOM 1245 CB ILE A 79 4.281 -4.738 -3.647 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.202 -4.170 -2.229 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.492 -5.653 -3.774 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.947 -5.221 -1.169 1.00 0.00 C ATOM 0 H ILE A 79 2.772 -2.585 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 79 5.395 -3.333 -4.840 1.00 0.00 H new ATOM 0 HB ILE A 79 3.380 -5.320 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.135 -3.654 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.408 -3.425 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.426 -6.449 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.516 -6.088 -4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.402 -5.077 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.903 -4.746 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.000 -5.721 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.754 -5.954 -1.182 1.00 0.00 H new ATOM 1260 N THR A 80 4.188 -5.226 -6.500 1.00 0.00 N ATOM 1261 CA THR A 80 3.682 -5.783 -7.755 1.00 0.00 C ATOM 1262 C THR A 80 4.344 -5.114 -8.955 1.00 0.00 C ATOM 1263 O THR A 80 4.008 -3.986 -9.313 1.00 0.00 O ATOM 1264 CB THR A 80 2.160 -5.632 -7.844 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.560 -5.873 -6.584 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.520 -6.572 -8.842 1.00 0.00 C ATOM 0 H THR A 80 4.902 -5.796 -6.046 1.00 0.00 H new ATOM 0 HA THR A 80 3.929 -6.845 -7.770 1.00 0.00 H new ATOM 0 HB THR A 80 1.991 -4.608 -8.176 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.770 -6.784 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.442 -6.411 -8.854 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.926 -6.380 -9.835 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.730 -7.603 -8.557 1.00 0.00 H new ATOM 1274 N GLY A 81 5.286 -5.820 -9.571 1.00 0.00 N ATOM 1275 CA GLY A 81 5.983 -5.280 -10.725 1.00 0.00 C ATOM 1276 C GLY A 81 7.337 -5.926 -10.937 1.00 0.00 C ATOM 1277 O GLY A 81 8.365 -5.247 -10.926 1.00 0.00 O ATOM 0 H GLY A 81 5.580 -6.756 -9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.371 -5.424 -11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.112 -4.205 -10.598 1.00 0.00 H new ATOM 1281 N HIS A 82 7.340 -7.241 -11.130 1.00 0.00 N ATOM 1282 CA HIS A 82 8.579 -7.980 -11.344 1.00 0.00 C ATOM 1283 C HIS A 82 9.106 -7.764 -12.759 1.00 0.00 C ATOM 1284 O HIS A 82 10.253 -7.358 -12.950 1.00 0.00 O ATOM 1285 CB HIS A 82 8.358 -9.472 -11.087 1.00 0.00 C ATOM 1286 CG HIS A 82 9.367 -10.075 -10.161 1.00 0.00 C ATOM 1287 ND1 HIS A 82 9.937 -9.380 -9.115 1.00 0.00 N ATOM 1288 CD2 HIS A 82 9.909 -11.315 -10.125 1.00 0.00 C ATOM 1289 CE1 HIS A 82 10.786 -10.166 -8.477 1.00 0.00 C ATOM 1290 NE2 HIS A 82 10.787 -11.346 -9.069 1.00 0.00 N ATOM 0 H HIS A 82 6.498 -7.817 -11.143 1.00 0.00 H new ATOM 0 HA HIS A 82 9.323 -7.605 -10.641 1.00 0.00 H new ATOM 0 HB2 HIS A 82 7.362 -9.617 -10.670 1.00 0.00 H new ATOM 0 HB3 HIS A 82 8.386 -10.004 -12.038 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.691 -12.129 -10.801 1.00 0.00 H new ATOM 0 HE1 HIS A 82 11.379 -9.890 -7.617 1.00 0.00 H new ATOM 0 HE2 HIS A 82 11.348 -12.150 -8.788 1.00 0.00 H new ATOM 1299 N GLY A 83 8.263 -8.040 -13.749 1.00 0.00 N ATOM 1300 CA GLY A 83 8.662 -7.871 -15.133 1.00 0.00 C ATOM 1301 C GLY A 83 9.110 -6.456 -15.440 1.00 0.00 C ATOM 1302 O GLY A 83 10.285 -6.121 -15.282 1.00 0.00 O ATOM 0 H GLY A 83 7.310 -8.378 -13.617 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.473 -8.563 -15.361 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.827 -8.133 -15.783 1.00 0.00 H new ATOM 1306 N SER A 84 8.174 -5.622 -15.882 1.00 0.00 N ATOM 1307 CA SER A 84 8.479 -4.236 -16.212 1.00 0.00 C ATOM 1308 C SER A 84 8.932 -3.470 -14.974 1.00 0.00 C ATOM 1309 O SER A 84 8.139 -3.204 -14.071 1.00 0.00 O ATOM 1310 CB SER A 84 7.256 -3.554 -16.827 1.00 0.00 C ATOM 1311 OG SER A 84 7.405 -2.145 -16.833 1.00 0.00 O ATOM 0 H SER A 84 7.198 -5.883 -16.020 1.00 0.00 H new ATOM 0 HA SER A 84 9.292 -4.233 -16.938 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.111 -3.911 -17.846 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.363 -3.826 -16.264 1.00 0.00 H new ATOM 0 HG SER A 84 6.610 -1.734 -17.233 1.00 0.00 H new ATOM 1317 N VAL A 85 10.214 -3.117 -14.938 1.00 0.00 N ATOM 1318 CA VAL A 85 10.772 -2.381 -13.810 1.00 0.00 C ATOM 1319 C VAL A 85 10.712 -0.872 -14.044 1.00 0.00 C ATOM 1320 O VAL A 85 11.360 -0.101 -13.335 1.00 0.00 O ATOM 1321 CB VAL A 85 12.233 -2.789 -13.541 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.719 -2.201 -12.225 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.373 -4.303 -13.539 1.00 0.00 C ATOM 0 H VAL A 85 10.885 -3.329 -15.677 1.00 0.00 H new ATOM 0 HA VAL A 85 10.164 -2.633 -12.941 1.00 0.00 H new ATOM 0 HB VAL A 85 12.855 -2.390 -14.342 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.753 -2.500 -12.053 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.658 -1.114 -12.268 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.095 -2.567 -11.410 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.412 -4.572 -13.347 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.739 -4.726 -12.760 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.069 -4.698 -14.508 1.00 0.00 H new ATOM 1333 N ASP A 86 9.930 -0.454 -15.036 1.00 0.00 N ATOM 1334 CA ASP A 86 9.789 0.964 -15.351 1.00 0.00 C ATOM 1335 C ASP A 86 8.616 1.581 -14.594 1.00 0.00 C ATOM 1336 O ASP A 86 8.519 2.802 -14.476 1.00 0.00 O ATOM 1337 CB ASP A 86 9.603 1.157 -16.856 1.00 0.00 C ATOM 1338 CG ASP A 86 9.532 2.621 -17.247 1.00 0.00 C ATOM 1339 OD1 ASP A 86 8.490 3.258 -16.979 1.00 0.00 O ATOM 1340 OD2 ASP A 86 10.517 3.131 -17.821 1.00 0.00 O ATOM 0 H ASP A 86 9.386 -1.076 -15.634 1.00 0.00 H new ATOM 0 HA ASP A 86 10.701 1.471 -15.037 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.429 0.682 -17.385 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.690 0.654 -17.174 1.00 0.00 H new ATOM 1345 N THR A 87 7.738 0.732 -14.061 1.00 0.00 N ATOM 1346 CA THR A 87 6.594 1.211 -13.297 1.00 0.00 C ATOM 1347 C THR A 87 7.037 1.558 -11.883 1.00 0.00 C ATOM 1348 O THR A 87 6.521 2.488 -11.262 1.00 0.00 O ATOM 1349 CB THR A 87 5.472 0.160 -13.276 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.206 0.788 -13.186 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.571 -0.828 -12.129 1.00 0.00 C ATOM 0 H THR A 87 7.798 -0.283 -14.145 1.00 0.00 H new ATOM 0 HA THR A 87 6.198 2.107 -13.775 1.00 0.00 H new ATOM 0 HB THR A 87 5.587 -0.391 -14.209 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.502 0.106 -13.175 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.744 -1.535 -12.186 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.515 -1.368 -12.195 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.525 -0.291 -11.181 1.00 0.00 H new ATOM 1359 N ALA A 88 8.019 0.808 -11.392 1.00 0.00 N ATOM 1360 CA ALA A 88 8.567 1.030 -10.065 1.00 0.00 C ATOM 1361 C ALA A 88 9.155 2.428 -9.970 1.00 0.00 C ATOM 1362 O ALA A 88 8.757 3.234 -9.130 1.00 0.00 O ATOM 1363 CB ALA A 88 9.637 -0.006 -9.765 1.00 0.00 C ATOM 0 H ALA A 88 8.452 0.037 -11.900 1.00 0.00 H new ATOM 0 HA ALA A 88 7.766 0.934 -9.332 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.042 0.168 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.200 -1.004 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.437 0.074 -10.501 1.00 0.00 H new ATOM 1369 N VAL A 89 10.106 2.700 -10.850 1.00 0.00 N ATOM 1370 CA VAL A 89 10.767 3.993 -10.893 1.00 0.00 C ATOM 1371 C VAL A 89 9.774 5.111 -11.203 1.00 0.00 C ATOM 1372 O VAL A 89 9.983 6.261 -10.819 1.00 0.00 O ATOM 1373 CB VAL A 89 11.891 4.002 -11.947 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.870 2.868 -11.687 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.315 3.900 -13.354 1.00 0.00 C ATOM 0 H VAL A 89 10.439 2.036 -11.549 1.00 0.00 H new ATOM 0 HA VAL A 89 11.199 4.168 -9.908 1.00 0.00 H new ATOM 0 HB VAL A 89 12.427 4.948 -11.868 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.658 2.888 -12.440 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.311 2.988 -10.697 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.344 1.915 -11.737 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.127 3.908 -14.081 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.751 2.972 -13.450 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.654 4.747 -13.539 1.00 0.00 H new ATOM 1385 N LYS A 90 8.697 4.767 -11.903 1.00 0.00 N ATOM 1386 CA LYS A 90 7.678 5.745 -12.268 1.00 0.00 C ATOM 1387 C LYS A 90 6.719 6.018 -11.111 1.00 0.00 C ATOM 1388 O LYS A 90 5.942 6.971 -11.154 1.00 0.00 O ATOM 1389 CB LYS A 90 6.893 5.256 -13.486 1.00 0.00 C ATOM 1390 CG LYS A 90 5.839 6.240 -13.967 1.00 0.00 C ATOM 1391 CD LYS A 90 5.169 5.758 -15.244 1.00 0.00 C ATOM 1392 CE LYS A 90 6.129 5.793 -16.423 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.075 4.535 -17.219 1.00 0.00 N ATOM 0 H LYS A 90 8.508 3.819 -12.228 1.00 0.00 H new ATOM 0 HA LYS A 90 8.187 6.678 -12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.590 5.056 -14.300 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.410 4.310 -13.240 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.087 6.378 -13.190 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.300 7.212 -14.141 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.802 4.742 -15.102 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.302 6.383 -15.460 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.885 6.640 -17.065 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.145 5.950 -16.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.823 3.888 -16.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.148 4.082 -17.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.216 4.755 -18.226 1.00 0.00 H new ATOM 1407 N ALA A 91 6.767 5.175 -10.081 1.00 0.00 N ATOM 1408 CA ALA A 91 5.888 5.338 -8.928 1.00 0.00 C ATOM 1409 C ALA A 91 6.671 5.682 -7.662 1.00 0.00 C ATOM 1410 O ALA A 91 6.125 6.268 -6.728 1.00 0.00 O ATOM 1411 CB ALA A 91 5.067 4.075 -8.713 1.00 0.00 C ATOM 0 H ALA A 91 7.401 4.378 -10.022 1.00 0.00 H new ATOM 0 HA ALA A 91 5.218 6.172 -9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.415 4.208 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.462 3.879 -9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.735 3.232 -8.536 1.00 0.00 H new ATOM 1417 N ILE A 92 7.947 5.307 -7.627 1.00 0.00 N ATOM 1418 CA ILE A 92 8.784 5.577 -6.462 1.00 0.00 C ATOM 1419 C ILE A 92 9.492 6.929 -6.577 1.00 0.00 C ATOM 1420 O ILE A 92 10.014 7.450 -5.592 1.00 0.00 O ATOM 1421 CB ILE A 92 9.831 4.457 -6.241 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.013 4.616 -7.206 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.181 3.088 -6.410 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.015 3.481 -7.142 1.00 0.00 C ATOM 0 H ILE A 92 8.421 4.819 -8.387 1.00 0.00 H new ATOM 0 HA ILE A 92 8.117 5.606 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 92 10.213 4.539 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.631 4.693 -8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.525 5.553 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.927 2.309 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.378 2.974 -5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.773 3.001 -7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.820 3.666 -7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.427 3.416 -6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.519 2.543 -7.392 1.00 0.00 H new ATOM 1436 N LYS A 93 9.508 7.492 -7.784 1.00 0.00 N ATOM 1437 CA LYS A 93 10.155 8.778 -8.014 1.00 0.00 C ATOM 1438 C LYS A 93 9.354 9.916 -7.389 1.00 0.00 C ATOM 1439 O LYS A 93 9.920 10.822 -6.778 1.00 0.00 O ATOM 1440 CB LYS A 93 10.330 9.026 -9.515 1.00 0.00 C ATOM 1441 CG LYS A 93 11.769 8.900 -9.987 1.00 0.00 C ATOM 1442 CD LYS A 93 11.857 8.841 -11.505 1.00 0.00 C ATOM 1443 CE LYS A 93 12.152 7.433 -11.996 1.00 0.00 C ATOM 1444 NZ LYS A 93 13.450 7.358 -12.722 1.00 0.00 N ATOM 0 H LYS A 93 9.082 7.078 -8.613 1.00 0.00 H new ATOM 0 HA LYS A 93 11.136 8.748 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.712 8.318 -10.067 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.963 10.024 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.348 9.748 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.215 8.001 -9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.919 9.188 -11.938 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.638 9.518 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.171 6.749 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.348 7.102 -12.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.614 6.382 -13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.424 7.991 -13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.220 7.649 -12.087 1.00 0.00 H new ATOM 1458 N LYS A 94 8.035 9.867 -7.549 1.00 0.00 N ATOM 1459 CA LYS A 94 7.161 10.898 -7.000 1.00 0.00 C ATOM 1460 C LYS A 94 7.388 11.069 -5.502 1.00 0.00 C ATOM 1461 O LYS A 94 7.305 12.178 -4.975 1.00 0.00 O ATOM 1462 CB LYS A 94 5.697 10.559 -7.272 1.00 0.00 C ATOM 1463 CG LYS A 94 4.733 11.656 -6.849 1.00 0.00 C ATOM 1464 CD LYS A 94 3.580 11.798 -7.829 1.00 0.00 C ATOM 1465 CE LYS A 94 3.963 12.668 -9.016 1.00 0.00 C ATOM 1466 NZ LYS A 94 2.821 12.862 -9.952 1.00 0.00 N ATOM 0 H LYS A 94 7.549 9.126 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 94 7.404 11.839 -7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.569 10.364 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.441 9.639 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.342 11.434 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.268 12.603 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.277 10.812 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.720 12.233 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.309 13.638 -8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.796 12.209 -9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.122 13.460 -10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.507 11.938 -10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.035 13.323 -9.450 1.00 0.00 H new ATOM 1480 N GLY A 95 7.679 9.966 -4.819 1.00 0.00 N ATOM 1481 CA GLY A 95 7.917 10.025 -3.389 1.00 0.00 C ATOM 1482 C GLY A 95 7.401 8.805 -2.647 1.00 0.00 C ATOM 1483 O GLY A 95 6.875 8.925 -1.541 1.00 0.00 O ATOM 0 H GLY A 95 7.754 9.035 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.987 10.126 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.440 10.917 -2.984 1.00 0.00 H new ATOM 1487 N ALA A 96 7.554 7.629 -3.248 1.00 0.00 N ATOM 1488 CA ALA A 96 7.101 6.392 -2.622 1.00 0.00 C ATOM 1489 C ALA A 96 8.205 5.778 -1.770 1.00 0.00 C ATOM 1490 O ALA A 96 9.218 6.420 -1.493 1.00 0.00 O ATOM 1491 CB ALA A 96 6.627 5.399 -3.674 1.00 0.00 C ATOM 0 H ALA A 96 7.986 7.507 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 96 6.261 6.632 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.293 4.483 -3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.800 5.832 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.448 5.170 -4.354 1.00 0.00 H new ATOM 1497 N TYR A 97 8.003 4.532 -1.355 1.00 0.00 N ATOM 1498 CA TYR A 97 8.983 3.834 -0.533 1.00 0.00 C ATOM 1499 C TYR A 97 9.688 2.740 -1.325 1.00 0.00 C ATOM 1500 O TYR A 97 10.150 1.752 -0.758 1.00 0.00 O ATOM 1501 CB TYR A 97 8.307 3.230 0.692 1.00 0.00 C ATOM 1502 CG TYR A 97 9.258 2.952 1.831 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.005 3.976 2.402 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.411 1.668 2.335 1.00 0.00 C ATOM 1505 CE1 TYR A 97 10.876 3.725 3.444 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.279 1.410 3.378 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.009 2.441 3.930 1.00 0.00 C ATOM 1508 OH TYR A 97 11.876 2.189 4.968 1.00 0.00 O ATOM 0 H TYR A 97 7.170 3.986 -1.574 1.00 0.00 H new ATOM 0 HA TYR A 97 9.730 4.560 -0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.527 3.909 1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.816 2.300 0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.903 4.983 2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.842 0.857 1.905 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.451 4.531 3.877 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.385 0.405 3.759 1.00 0.00 H new ATOM 0 HH TYR A 97 11.850 1.235 5.191 1.00 0.00 H new ATOM 1518 N GLU A 98 9.764 2.934 -2.636 1.00 0.00 N ATOM 1519 CA GLU A 98 10.414 1.980 -3.538 1.00 0.00 C ATOM 1520 C GLU A 98 9.485 0.812 -3.868 1.00 0.00 C ATOM 1521 O GLU A 98 8.525 0.542 -3.147 1.00 0.00 O ATOM 1522 CB GLU A 98 11.741 1.472 -2.943 1.00 0.00 C ATOM 1523 CG GLU A 98 11.657 0.111 -2.258 1.00 0.00 C ATOM 1524 CD GLU A 98 12.626 -0.016 -1.097 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.618 0.741 -1.068 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.391 -0.873 -0.219 1.00 0.00 O ATOM 0 H GLU A 98 9.379 3.753 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 98 10.639 2.503 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.482 1.416 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.103 2.204 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.641 -0.049 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.864 -0.672 -2.987 1.00 0.00 H new ATOM 1533 N PHE A 99 9.784 0.127 -4.967 1.00 0.00 N ATOM 1534 CA PHE A 99 8.986 -1.011 -5.405 1.00 0.00 C ATOM 1535 C PHE A 99 9.544 -2.313 -4.842 1.00 0.00 C ATOM 1536 O PHE A 99 10.560 -2.821 -5.317 1.00 0.00 O ATOM 1537 CB PHE A 99 8.960 -1.075 -6.933 1.00 0.00 C ATOM 1538 CG PHE A 99 7.597 -0.872 -7.531 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.842 0.243 -7.207 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.079 -1.792 -8.429 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.593 0.436 -7.767 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.830 -1.605 -8.991 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.086 -0.490 -8.660 1.00 0.00 C ATOM 0 H PHE A 99 10.576 0.342 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 99 7.970 -0.881 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.636 -0.317 -7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.345 -2.044 -7.252 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.233 0.969 -6.510 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.658 -2.665 -8.693 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.014 1.310 -7.507 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.437 -2.330 -9.688 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.110 -0.341 -9.098 1.00 0.00 H new ATOM 1553 N LEU A 100 8.872 -2.852 -3.832 1.00 0.00 N ATOM 1554 CA LEU A 100 9.301 -4.096 -3.209 1.00 0.00 C ATOM 1555 C LEU A 100 9.376 -5.221 -4.237 1.00 0.00 C ATOM 1556 O LEU A 100 8.598 -5.255 -5.190 1.00 0.00 O ATOM 1557 CB LEU A 100 8.336 -4.476 -2.089 1.00 0.00 C ATOM 1558 CG LEU A 100 8.953 -5.260 -0.934 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.173 -4.539 -0.383 1.00 0.00 C ATOM 1560 CD2 LEU A 100 7.924 -5.474 0.160 1.00 0.00 C ATOM 0 H LEU A 100 8.028 -2.446 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 100 10.297 -3.946 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.891 -3.564 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.525 -5.067 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 100 9.274 -6.232 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.596 -5.116 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.918 -4.430 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.881 -3.553 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.375 -6.034 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.578 -4.508 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.078 -6.034 -0.240 1.00 0.00 H new ATOM 1572 N GLU A 101 10.315 -6.139 -4.038 1.00 0.00 N ATOM 1573 CA GLU A 101 10.489 -7.264 -4.950 1.00 0.00 C ATOM 1574 C GLU A 101 9.883 -8.537 -4.369 1.00 0.00 C ATOM 1575 O GLU A 101 9.541 -8.592 -3.188 1.00 0.00 O ATOM 1576 CB GLU A 101 11.972 -7.480 -5.248 1.00 0.00 C ATOM 1577 CG GLU A 101 12.477 -6.680 -6.438 1.00 0.00 C ATOM 1578 CD GLU A 101 12.652 -7.531 -7.681 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.457 -8.485 -7.639 1.00 0.00 O ATOM 1580 OE2 GLU A 101 11.985 -7.242 -8.697 1.00 0.00 O ATOM 0 H GLU A 101 10.967 -6.127 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 101 9.969 -7.029 -5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.554 -7.211 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.146 -8.540 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.777 -5.872 -6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.430 -6.217 -6.182 1.00 0.00 H new ATOM 1587 N LYS A 102 9.754 -9.560 -5.209 1.00 0.00 N ATOM 1588 CA LYS A 102 9.191 -10.836 -4.782 1.00 0.00 C ATOM 1589 C LYS A 102 7.739 -10.670 -4.335 1.00 0.00 C ATOM 1590 O LYS A 102 7.380 -11.027 -3.213 1.00 0.00 O ATOM 1591 CB LYS A 102 10.028 -11.433 -3.648 1.00 0.00 C ATOM 1592 CG LYS A 102 11.113 -12.382 -4.130 1.00 0.00 C ATOM 1593 CD LYS A 102 11.443 -13.429 -3.078 1.00 0.00 C ATOM 1594 CE LYS A 102 12.798 -14.067 -3.334 1.00 0.00 C ATOM 1595 NZ LYS A 102 12.674 -15.368 -4.049 1.00 0.00 N ATOM 0 H LYS A 102 10.032 -9.530 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 102 9.211 -11.517 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.489 -10.623 -3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.369 -11.965 -2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 102 10.787 -12.875 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.011 -11.815 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.437 -12.968 -2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.672 -14.199 -3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.414 -13.387 -3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.311 -14.222 -2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.620 -15.770 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.108 -16.026 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.207 -15.217 -4.966 1.00 0.00 H new ATOM 1609 N PRO A 103 6.882 -10.123 -5.215 1.00 0.00 N ATOM 1610 CA PRO A 103 5.464 -9.911 -4.907 1.00 0.00 C ATOM 1611 C PRO A 103 4.669 -11.212 -4.924 1.00 0.00 C ATOM 1612 O PRO A 103 4.010 -11.537 -5.912 1.00 0.00 O ATOM 1613 CB PRO A 103 4.999 -8.986 -6.032 1.00 0.00 C ATOM 1614 CG PRO A 103 5.894 -9.309 -7.177 1.00 0.00 C ATOM 1615 CD PRO A 103 7.227 -9.670 -6.576 1.00 0.00 C ATOM 0 HA PRO A 103 5.316 -9.501 -3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.953 -9.163 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.085 -7.938 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.494 -10.136 -7.763 1.00 0.00 H new ATOM 0 HG3 PRO A 103 5.988 -8.457 -7.851 1.00 0.00 H new ATOM 0 HD2 PRO A 103 7.724 -10.455 -7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.902 -8.815 -6.555 1.00 0.00 H new ATOM 1623 N PHE A 104 4.735 -11.956 -3.823 1.00 0.00 N ATOM 1624 CA PHE A 104 4.019 -13.222 -3.715 1.00 0.00 C ATOM 1625 C PHE A 104 3.587 -13.489 -2.276 1.00 0.00 C ATOM 1626 O PHE A 104 2.396 -13.514 -1.971 1.00 0.00 O ATOM 1627 CB PHE A 104 4.897 -14.370 -4.217 1.00 0.00 C ATOM 1628 CG PHE A 104 4.129 -15.440 -4.941 1.00 0.00 C ATOM 1629 CD1 PHE A 104 3.405 -16.388 -4.237 1.00 0.00 C ATOM 1630 CD2 PHE A 104 4.133 -15.497 -6.326 1.00 0.00 C ATOM 1631 CE1 PHE A 104 2.697 -17.373 -4.900 1.00 0.00 C ATOM 1632 CE2 PHE A 104 3.429 -16.480 -6.994 1.00 0.00 C ATOM 1633 CZ PHE A 104 2.709 -17.419 -6.281 1.00 0.00 C ATOM 0 H PHE A 104 5.276 -11.704 -2.996 1.00 0.00 H new ATOM 0 HA PHE A 104 3.124 -13.156 -4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.661 -13.968 -4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.416 -14.817 -3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.393 -16.357 -3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.693 -14.765 -6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.135 -18.106 -4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.441 -16.514 -8.073 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.157 -18.187 -6.802 1.00 0.00 H new ATOM 1643 N SER A 105 4.564 -13.691 -1.397 1.00 0.00 N ATOM 1644 CA SER A 105 4.281 -13.962 0.008 1.00 0.00 C ATOM 1645 C SER A 105 4.472 -12.715 0.872 1.00 0.00 C ATOM 1646 O SER A 105 4.444 -12.799 2.099 1.00 0.00 O ATOM 1647 CB SER A 105 5.179 -15.090 0.519 1.00 0.00 C ATOM 1648 OG SER A 105 5.013 -15.283 1.914 1.00 0.00 O ATOM 0 H SER A 105 5.556 -13.672 -1.632 1.00 0.00 H new ATOM 0 HA SER A 105 3.237 -14.266 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.944 -16.014 -0.010 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.221 -14.855 0.303 1.00 0.00 H new ATOM 0 HG SER A 105 4.065 -15.197 2.146 1.00 0.00 H new ATOM 1654 N VAL A 106 4.666 -11.562 0.223 1.00 0.00 N ATOM 1655 CA VAL A 106 4.862 -10.287 0.922 1.00 0.00 C ATOM 1656 C VAL A 106 5.617 -10.462 2.241 1.00 0.00 C ATOM 1657 O VAL A 106 5.343 -9.768 3.223 1.00 0.00 O ATOM 1658 CB VAL A 106 3.516 -9.571 1.184 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.651 -9.586 -0.067 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.770 -10.201 2.350 1.00 0.00 C ATOM 0 H VAL A 106 4.692 -11.486 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 106 5.469 -9.668 0.262 1.00 0.00 H new ATOM 0 HB VAL A 106 3.737 -8.536 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.708 -9.078 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.172 -9.074 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.452 -10.617 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.829 -9.674 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.567 -11.249 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.379 -10.132 3.251 1.00 0.00 H new ATOM 1670 N GLU A 107 6.586 -11.374 2.256 1.00 0.00 N ATOM 1671 CA GLU A 107 7.382 -11.609 3.448 1.00 0.00 C ATOM 1672 C GLU A 107 8.302 -10.423 3.687 1.00 0.00 C ATOM 1673 O GLU A 107 8.314 -9.840 4.772 1.00 0.00 O ATOM 1674 CB GLU A 107 8.194 -12.891 3.305 1.00 0.00 C ATOM 1675 CG GLU A 107 8.363 -13.652 4.608 1.00 0.00 C ATOM 1676 CD GLU A 107 9.409 -14.745 4.514 1.00 0.00 C ATOM 1677 OE1 GLU A 107 9.364 -15.528 3.543 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.274 -14.817 5.413 1.00 0.00 O ATOM 0 H GLU A 107 6.835 -11.958 1.458 1.00 0.00 H new ATOM 0 HA GLU A 107 6.716 -11.723 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.708 -13.539 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.179 -12.645 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.642 -12.955 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.408 -14.092 4.894 1.00 0.00 H new ATOM 1685 N ARG A 108 9.049 -10.047 2.652 1.00 0.00 N ATOM 1686 CA ARG A 108 9.943 -8.901 2.739 1.00 0.00 C ATOM 1687 C ARG A 108 9.131 -7.662 3.092 1.00 0.00 C ATOM 1688 O ARG A 108 9.604 -6.767 3.792 1.00 0.00 O ATOM 1689 CB ARG A 108 10.682 -8.693 1.417 1.00 0.00 C ATOM 1690 CG ARG A 108 11.880 -9.611 1.238 1.00 0.00 C ATOM 1691 CD ARG A 108 12.894 -9.426 2.354 1.00 0.00 C ATOM 1692 NE ARG A 108 14.170 -10.066 2.047 1.00 0.00 N ATOM 1693 CZ ARG A 108 15.086 -9.541 1.234 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.869 -8.370 0.648 1.00 0.00 N ATOM 1695 NH2 ARG A 108 16.220 -10.189 1.009 1.00 0.00 N ATOM 0 H ARG A 108 9.052 -10.519 1.748 1.00 0.00 H new ATOM 0 HA ARG A 108 10.687 -9.083 3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.987 -8.852 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.016 -7.657 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.545 -10.648 1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.354 -9.410 0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.054 -8.362 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.494 -9.841 3.279 1.00 0.00 H new ATOM 0 HE ARG A 108 14.372 -10.967 2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.998 -7.868 0.819 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.573 -7.972 0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.391 -11.089 1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.922 -9.788 0.387 1.00 0.00 H new ATOM 1709 N PHE A 109 7.887 -7.642 2.617 1.00 0.00 N ATOM 1710 CA PHE A 109 6.975 -6.544 2.892 1.00 0.00 C ATOM 1711 C PHE A 109 6.740 -6.450 4.394 1.00 0.00 C ATOM 1712 O PHE A 109 6.632 -5.361 4.955 1.00 0.00 O ATOM 1713 CB PHE A 109 5.651 -6.771 2.148 1.00 0.00 C ATOM 1714 CG PHE A 109 4.501 -5.946 2.662 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.338 -4.632 2.254 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.586 -6.487 3.551 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.285 -3.872 2.725 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.529 -5.732 4.024 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.379 -4.423 3.610 1.00 0.00 C ATOM 0 H PHE A 109 7.490 -8.381 2.037 1.00 0.00 H new ATOM 0 HA PHE A 109 7.409 -5.606 2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.799 -6.548 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.385 -7.826 2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.042 -4.197 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.700 -7.510 3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.170 -2.848 2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.822 -6.165 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.554 -3.831 3.978 1.00 0.00 H new ATOM 1729 N LEU A 110 6.678 -7.612 5.036 1.00 0.00 N ATOM 1730 CA LEU A 110 6.474 -7.690 6.476 1.00 0.00 C ATOM 1731 C LEU A 110 7.533 -6.887 7.225 1.00 0.00 C ATOM 1732 O LEU A 110 7.217 -5.956 7.966 1.00 0.00 O ATOM 1733 CB LEU A 110 6.524 -9.141 6.929 1.00 0.00 C ATOM 1734 CG LEU A 110 5.717 -9.449 8.187 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.554 -10.948 8.357 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.386 -8.840 9.409 1.00 0.00 C ATOM 0 H LEU A 110 6.767 -8.518 4.577 1.00 0.00 H new ATOM 0 HA LEU A 110 5.495 -7.268 6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.161 -9.772 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.564 -9.416 7.106 1.00 0.00 H new ATOM 0 HG LEU A 110 4.727 -9.006 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.976 -11.151 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.033 -11.358 7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.536 -11.413 8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.798 -9.069 10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.388 -9.255 9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.453 -7.759 9.286 1.00 0.00 H new ATOM 1748 N LEU A 111 8.792 -7.267 7.030 1.00 0.00 N ATOM 1749 CA LEU A 111 9.912 -6.600 7.688 1.00 0.00 C ATOM 1750 C LEU A 111 9.985 -5.122 7.314 1.00 0.00 C ATOM 1751 O LEU A 111 10.142 -4.262 8.180 1.00 0.00 O ATOM 1752 CB LEU A 111 11.227 -7.291 7.324 1.00 0.00 C ATOM 1753 CG LEU A 111 11.295 -8.780 7.675 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.049 -9.633 6.440 1.00 0.00 C ATOM 1755 CD2 LEU A 111 12.641 -9.121 8.299 1.00 0.00 C ATOM 0 H LEU A 111 9.064 -8.037 6.419 1.00 0.00 H new ATOM 0 HA LEU A 111 9.750 -6.669 8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.395 -7.178 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.043 -6.776 7.831 1.00 0.00 H new ATOM 0 HG LEU A 111 10.513 -8.996 8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.101 -10.688 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.062 -9.411 6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.807 -9.413 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.671 -10.183 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.439 -8.887 7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.779 -8.537 9.209 1.00 0.00 H new ATOM 1767 N THR A 112 9.872 -4.831 6.022 1.00 0.00 N ATOM 1768 CA THR A 112 9.930 -3.455 5.543 1.00 0.00 C ATOM 1769 C THR A 112 8.799 -2.623 6.139 1.00 0.00 C ATOM 1770 O THR A 112 8.990 -1.464 6.506 1.00 0.00 O ATOM 1771 CB THR A 112 9.851 -3.422 4.015 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.917 -4.161 3.443 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.903 -2.023 3.441 1.00 0.00 C ATOM 0 H THR A 112 9.740 -5.528 5.289 1.00 0.00 H new ATOM 0 HA THR A 112 10.880 -3.025 5.861 1.00 0.00 H new ATOM 0 HB THR A 112 8.885 -3.862 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.688 -5.114 3.437 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.842 -2.073 2.354 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.065 -1.441 3.825 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.839 -1.545 3.731 1.00 0.00 H new ATOM 1781 N ILE A 113 7.619 -3.227 6.230 1.00 0.00 N ATOM 1782 CA ILE A 113 6.446 -2.554 6.777 1.00 0.00 C ATOM 1783 C ILE A 113 6.747 -1.904 8.126 1.00 0.00 C ATOM 1784 O ILE A 113 6.481 -0.719 8.324 1.00 0.00 O ATOM 1785 CB ILE A 113 5.265 -3.543 6.927 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.421 -3.556 5.652 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.405 -3.196 8.135 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.766 -2.225 5.349 1.00 0.00 C ATOM 0 H ILE A 113 7.449 -4.187 5.930 1.00 0.00 H new ATOM 0 HA ILE A 113 6.169 -1.769 6.073 1.00 0.00 H new ATOM 0 HB ILE A 113 5.676 -4.540 7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.052 -3.841 4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.649 -4.320 5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.584 -3.908 8.214 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.012 -3.241 9.039 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.002 -2.190 8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.183 -2.307 4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.109 -1.947 6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.534 -1.462 5.224 1.00 0.00 H new ATOM 1800 N LYS A 114 7.298 -2.686 9.050 1.00 0.00 N ATOM 1801 CA LYS A 114 7.631 -2.185 10.377 1.00 0.00 C ATOM 1802 C LYS A 114 8.353 -0.851 10.272 1.00 0.00 C ATOM 1803 O LYS A 114 7.930 0.149 10.853 1.00 0.00 O ATOM 1804 CB LYS A 114 8.497 -3.195 11.125 1.00 0.00 C ATOM 1805 CG LYS A 114 8.470 -3.022 12.635 1.00 0.00 C ATOM 1806 CD LYS A 114 9.474 -1.977 13.097 1.00 0.00 C ATOM 1807 CE LYS A 114 10.903 -2.411 12.812 1.00 0.00 C ATOM 1808 NZ LYS A 114 11.669 -2.659 14.065 1.00 0.00 N ATOM 0 H LYS A 114 7.523 -3.670 8.903 1.00 0.00 H new ATOM 0 HA LYS A 114 6.706 -2.039 10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.161 -4.202 10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.526 -3.107 10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.468 -2.730 12.950 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.690 -3.976 13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.273 -1.031 12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.352 -1.802 14.166 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.893 -3.318 12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.406 -1.642 12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.638 -2.953 13.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.701 -1.787 14.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.204 -3.411 14.613 1.00 0.00 H new ATOM 1822 N HIS A 115 9.444 -0.846 9.519 1.00 0.00 N ATOM 1823 CA HIS A 115 10.231 0.366 9.322 1.00 0.00 C ATOM 1824 C HIS A 115 9.366 1.494 8.767 1.00 0.00 C ATOM 1825 O HIS A 115 9.648 2.671 8.987 1.00 0.00 O ATOM 1826 CB HIS A 115 11.400 0.094 8.382 1.00 0.00 C ATOM 1827 CG HIS A 115 12.681 -0.218 9.092 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.818 -0.650 8.441 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.003 -0.157 10.406 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.782 -0.841 9.324 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.314 -0.549 10.523 1.00 0.00 N ATOM 0 H HIS A 115 9.805 -1.667 9.034 1.00 0.00 H new ATOM 0 HA HIS A 115 10.621 0.676 10.292 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.144 -0.740 7.729 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.551 0.964 7.743 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.350 0.144 11.212 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.784 -1.179 9.102 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.840 -0.605 11.395 1.00 0.00 H new ATOM 1840 N ALA A 116 8.308 1.127 8.047 1.00 0.00 N ATOM 1841 CA ALA A 116 7.405 2.111 7.466 1.00 0.00 C ATOM 1842 C ALA A 116 6.662 2.880 8.554 1.00 0.00 C ATOM 1843 O ALA A 116 6.404 4.076 8.417 1.00 0.00 O ATOM 1844 CB ALA A 116 6.418 1.430 6.527 1.00 0.00 C ATOM 0 H ALA A 116 8.058 0.157 7.854 1.00 0.00 H new ATOM 0 HA ALA A 116 7.999 2.824 6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.749 2.176 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 116 6.963 0.930 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.835 0.695 7.082 1.00 0.00 H new ATOM 1850 N PHE A 117 6.321 2.184 9.634 1.00 0.00 N ATOM 1851 CA PHE A 117 5.607 2.798 10.748 1.00 0.00 C ATOM 1852 C PHE A 117 6.564 3.561 11.659 1.00 0.00 C ATOM 1853 O PHE A 117 6.210 4.600 12.216 1.00 0.00 O ATOM 1854 CB PHE A 117 4.866 1.729 11.552 1.00 0.00 C ATOM 1855 CG PHE A 117 3.589 1.268 10.910 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.603 0.286 9.932 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.374 1.820 11.283 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.429 -0.137 9.340 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.197 1.400 10.695 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.224 0.421 9.722 1.00 0.00 C ATOM 0 H PHE A 117 6.528 1.193 9.761 1.00 0.00 H new ATOM 0 HA PHE A 117 4.886 3.505 10.338 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.523 0.871 11.691 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.642 2.123 12.544 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.542 -0.153 9.630 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.347 2.588 12.042 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.453 -0.903 8.579 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.256 1.837 10.996 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.305 0.092 9.260 1.00 0.00 H new ATOM 1870 N GLU A 118 7.776 3.036 11.813 1.00 0.00 N ATOM 1871 CA GLU A 118 8.780 3.665 12.664 1.00 0.00 C ATOM 1872 C GLU A 118 9.491 4.801 11.933 1.00 0.00 C ATOM 1873 O GLU A 118 9.543 5.930 12.424 1.00 0.00 O ATOM 1874 CB GLU A 118 9.795 2.630 13.136 1.00 0.00 C ATOM 1875 CG GLU A 118 9.650 2.262 14.604 1.00 0.00 C ATOM 1876 CD GLU A 118 10.240 3.311 15.528 1.00 0.00 C ATOM 1877 OE1 GLU A 118 10.405 4.466 15.085 1.00 0.00 O ATOM 1878 OE2 GLU A 118 10.535 2.975 16.694 1.00 0.00 O ATOM 0 H GLU A 118 8.086 2.177 11.360 1.00 0.00 H new ATOM 0 HA GLU A 118 8.270 4.086 13.530 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.690 1.729 12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.800 3.014 12.964 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.594 2.128 14.839 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.140 1.306 14.785 1.00 0.00 H new ATOM 1885 N GLU A 119 10.041 4.496 10.762 1.00 0.00 N ATOM 1886 CA GLU A 119 10.753 5.493 9.969 1.00 0.00 C ATOM 1887 C GLU A 119 9.791 6.491 9.328 1.00 0.00 C ATOM 1888 O GLU A 119 10.217 7.483 8.735 1.00 0.00 O ATOM 1889 CB GLU A 119 11.592 4.811 8.888 1.00 0.00 C ATOM 1890 CG GLU A 119 12.560 3.772 9.434 1.00 0.00 C ATOM 1891 CD GLU A 119 14.001 4.064 9.062 1.00 0.00 C ATOM 1892 OE1 GLU A 119 14.386 5.251 9.062 1.00 0.00 O ATOM 1893 OE2 GLU A 119 14.745 3.103 8.771 1.00 0.00 O ATOM 0 H GLU A 119 10.008 3.567 10.341 1.00 0.00 H new ATOM 0 HA GLU A 119 11.410 6.043 10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.926 4.333 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.155 5.570 8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.470 3.732 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.283 2.788 9.055 1.00 0.00 H new ATOM 1900 N TYR A 120 8.493 6.229 9.447 1.00 0.00 N ATOM 1901 CA TYR A 120 7.481 7.110 8.878 1.00 0.00 C ATOM 1902 C TYR A 120 6.277 7.229 9.808 1.00 0.00 C ATOM 1903 O TYR A 120 5.130 7.228 9.359 1.00 0.00 O ATOM 1904 CB TYR A 120 7.040 6.594 7.507 1.00 0.00 C ATOM 1905 CG TYR A 120 7.054 7.654 6.428 1.00 0.00 C ATOM 1906 CD1 TYR A 120 6.424 8.877 6.621 1.00 0.00 C ATOM 1907 CD2 TYR A 120 7.698 7.431 5.217 1.00 0.00 C ATOM 1908 CE1 TYR A 120 6.436 9.849 5.639 1.00 0.00 C ATOM 1909 CE2 TYR A 120 7.714 8.398 4.230 1.00 0.00 C ATOM 1910 CZ TYR A 120 7.082 9.604 4.446 1.00 0.00 C ATOM 1911 OH TYR A 120 7.096 10.570 3.465 1.00 0.00 O ATOM 0 H TYR A 120 8.118 5.414 9.932 1.00 0.00 H new ATOM 0 HA TYR A 120 7.920 8.101 8.759 1.00 0.00 H new ATOM 0 HB2 TYR A 120 7.694 5.775 7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.033 6.184 7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 120 5.916 9.071 7.554 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.194 6.487 5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 120 5.942 10.795 5.805 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.219 8.210 3.294 1.00 0.00 H new ATOM 0 HH TYR A 120 7.594 10.240 2.688 1.00 0.00 H new ATOM 1921 N SER A 121 6.546 7.332 11.105 1.00 0.00 N ATOM 1922 CA SER A 121 5.487 7.453 12.098 1.00 0.00 C ATOM 1923 C SER A 121 4.805 8.814 12.004 1.00 0.00 C ATOM 1924 O SER A 121 3.722 8.939 11.434 1.00 0.00 O ATOM 1925 CB SER A 121 6.052 7.248 13.505 1.00 0.00 C ATOM 1926 OG SER A 121 5.012 7.083 14.454 1.00 0.00 O ATOM 0 H SER A 121 7.489 7.334 11.493 1.00 0.00 H new ATOM 0 HA SER A 121 4.745 6.681 11.896 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.700 6.372 13.516 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.668 8.104 13.781 1.00 0.00 H new ATOM 0 HG SER A 121 5.400 6.952 15.345 1.00 0.00 H new TER 1932 SER A 121