USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 127 SER OG : rot 180:sc= 0.133 USER MOD Set 1.2: A 129 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A -4 GLY N :NH3+ -148:sc= 0.29 (180deg=0.0696) USER MOD Set 2.2: A 75 LYS NZ :NH3+ 161:sc= -0.0396 (180deg=-0.521) USER MOD Single : A 0 SER OG : rot 82:sc= 0.681 USER MOD Single : A 78 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 79 MET CE :methyl 151:sc= 0 (180deg=-0.0128) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.099 USER MOD Single : A 84 GLN : amide:sc= -3.43! C(o=-3.4!,f=-2.9!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.29) USER MOD Single : A 100 ASN : amide:sc= -2.31! C(o=-2.3!,f=-9.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.0295 K(o=-0.03,f=-1.8!) USER MOD Single : A 120 SER OG : rot -61:sc= 0.746 USER MOD Single : A 121 CYS SG : rot 75:sc= 0.942 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0.0231 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -10.268 -13.559 -1.023 1.00 0.00 N ATOM 2 CA GLY A -4 -10.263 -15.048 -1.027 1.00 0.00 C ATOM 3 C GLY A -4 -10.505 -15.567 0.389 1.00 0.00 C ATOM 4 O GLY A -4 -11.012 -14.845 1.248 1.00 0.00 O ATOM 0 H1 GLY A -4 -10.640 -13.211 -1.929 1.00 0.00 H new ATOM 0 H2 GLY A -4 -10.869 -13.216 -0.247 1.00 0.00 H new ATOM 0 H3 GLY A -4 -9.298 -13.209 -0.890 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -11.035 -15.422 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -9.308 -15.417 -1.402 1.00 0.00 H new ATOM 10 N PRO A -3 -10.151 -16.798 0.646 1.00 0.00 N ATOM 11 CA PRO A -3 -10.330 -17.427 1.991 1.00 0.00 C ATOM 12 C PRO A -3 -9.593 -16.652 3.086 1.00 0.00 C ATOM 13 O PRO A -3 -8.495 -16.141 2.865 1.00 0.00 O ATOM 14 CB PRO A -3 -9.735 -18.839 1.814 1.00 0.00 C ATOM 15 CG PRO A -3 -9.778 -19.091 0.341 1.00 0.00 C ATOM 16 CD PRO A -3 -9.549 -17.735 -0.314 1.00 0.00 C ATOM 0 HA PRO A -3 -11.373 -17.439 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -8.715 -18.888 2.194 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -10.315 -19.584 2.360 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -9.010 -19.805 0.043 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -10.738 -19.513 0.043 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -8.488 -17.533 -0.464 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -10.027 -17.673 -1.292 1.00 0.00 H new ATOM 24 N LEU A -2 -10.201 -16.578 4.263 1.00 0.00 N ATOM 25 CA LEU A -2 -9.590 -15.871 5.382 1.00 0.00 C ATOM 26 C LEU A -2 -9.276 -14.431 4.999 1.00 0.00 C ATOM 27 O LEU A -2 -8.502 -13.752 5.674 1.00 0.00 O ATOM 28 CB LEU A -2 -8.301 -16.585 5.802 1.00 0.00 C ATOM 29 CG LEU A -2 -8.598 -18.062 6.096 1.00 0.00 C ATOM 30 CD1 LEU A -2 -7.291 -18.784 6.438 1.00 0.00 C ATOM 31 CD2 LEU A -2 -9.571 -18.176 7.283 1.00 0.00 C ATOM 0 H LEU A -2 -11.109 -16.995 4.467 1.00 0.00 H new ATOM 0 HA LEU A -2 -10.293 -15.865 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -7.555 -16.505 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -7.880 -16.106 6.686 1.00 0.00 H new ATOM 0 HG LEU A -2 -9.052 -18.519 5.216 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -7.499 -19.833 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -6.604 -18.711 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -6.839 -18.322 7.315 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -9.777 -19.227 7.485 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -9.124 -17.717 8.165 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -10.502 -17.664 7.040 1.00 0.00 H new ATOM 43 N GLY A -1 -9.885 -13.968 3.912 1.00 0.00 N ATOM 44 CA GLY A -1 -9.668 -12.604 3.454 1.00 0.00 C ATOM 45 C GLY A -1 -8.269 -12.441 2.874 1.00 0.00 C ATOM 46 O GLY A -1 -7.736 -11.333 2.817 1.00 0.00 O ATOM 0 H GLY A -1 -10.527 -14.514 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -10.411 -12.347 2.699 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -9.805 -11.911 4.284 1.00 0.00 H new ATOM 50 N SER A 0 -7.675 -13.551 2.449 1.00 0.00 N ATOM 51 CA SER A 0 -6.334 -13.517 1.879 1.00 0.00 C ATOM 52 C SER A 0 -6.338 -12.783 0.541 1.00 0.00 C ATOM 53 O SER A 0 -7.289 -12.884 -0.232 1.00 0.00 O ATOM 54 CB SER A 0 -5.815 -14.941 1.681 1.00 0.00 C ATOM 55 OG SER A 0 -5.715 -15.585 2.944 1.00 0.00 O ATOM 0 H SER A 0 -8.097 -14.479 2.488 1.00 0.00 H new ATOM 0 HA SER A 0 -5.680 -12.985 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 0 -6.487 -15.498 1.028 1.00 0.00 H new ATOM 0 HB3 SER A 0 -4.841 -14.921 1.192 1.00 0.00 H new ATOM 0 HG SER A 0 -6.594 -15.929 3.206 1.00 0.00 H new ATOM 61 N ARG A 74 -5.265 -12.046 0.277 1.00 0.00 N ATOM 62 CA ARG A 74 -5.147 -11.301 -0.971 1.00 0.00 C ATOM 63 C ARG A 74 -4.870 -12.244 -2.137 1.00 0.00 C ATOM 64 O ARG A 74 -4.091 -13.190 -2.011 1.00 0.00 O ATOM 65 CB ARG A 74 -4.022 -10.268 -0.863 1.00 0.00 C ATOM 66 CG ARG A 74 -3.943 -9.464 -2.162 1.00 0.00 C ATOM 67 CD ARG A 74 -2.959 -8.305 -1.987 1.00 0.00 C ATOM 68 NE ARG A 74 -3.507 -7.316 -1.065 1.00 0.00 N ATOM 69 CZ ARG A 74 -2.794 -6.261 -0.686 1.00 0.00 C ATOM 70 NH1 ARG A 74 -1.579 -6.099 -1.134 1.00 0.00 N ATOM 71 NH2 ARG A 74 -3.308 -5.385 0.134 1.00 0.00 N ATOM 0 H ARG A 74 -4.468 -11.948 0.907 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.091 -10.787 -1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.205 -9.601 -0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.072 -10.767 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.621 -10.107 -2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.929 -9.081 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.008 -8.679 -1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.757 -7.841 -2.952 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.454 -7.437 -0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.177 -6.782 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.032 -5.289 -0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.258 -5.510 0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.760 -4.575 0.424 1.00 0.00 H new ATOM 85 N LYS A 75 -5.511 -11.982 -3.270 1.00 0.00 N ATOM 86 CA LYS A 75 -5.327 -12.815 -4.454 1.00 0.00 C ATOM 87 C LYS A 75 -3.889 -12.725 -4.951 1.00 0.00 C ATOM 88 O LYS A 75 -3.214 -11.715 -4.749 1.00 0.00 O ATOM 89 CB LYS A 75 -6.279 -12.364 -5.563 1.00 0.00 C ATOM 90 CG LYS A 75 -7.720 -12.672 -5.154 1.00 0.00 C ATOM 91 CD LYS A 75 -8.672 -12.209 -6.258 1.00 0.00 C ATOM 92 CE LYS A 75 -10.107 -12.575 -5.879 1.00 0.00 C ATOM 93 NZ LYS A 75 -10.488 -11.863 -4.626 1.00 0.00 N ATOM 0 H LYS A 75 -6.159 -11.204 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.545 -13.849 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.162 -11.296 -5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.037 -12.875 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.840 -13.741 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.959 -12.168 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.585 -11.132 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.404 -12.678 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.788 -12.303 -6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.194 -13.652 -5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.524 -11.844 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.081 -12.359 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.125 -10.889 -4.656 1.00 0.00 H new ATOM 107 N ILE A 76 -3.421 -13.790 -5.594 1.00 0.00 N ATOM 108 CA ILE A 76 -2.056 -13.822 -6.103 1.00 0.00 C ATOM 109 C ILE A 76 -1.949 -13.011 -7.388 1.00 0.00 C ATOM 110 O ILE A 76 -2.697 -13.232 -8.341 1.00 0.00 O ATOM 111 CB ILE A 76 -1.633 -15.266 -6.374 1.00 0.00 C ATOM 112 CG1 ILE A 76 -1.963 -16.135 -5.153 1.00 0.00 C ATOM 113 CG2 ILE A 76 -0.128 -15.322 -6.650 1.00 0.00 C ATOM 114 CD1 ILE A 76 -1.330 -15.545 -3.886 1.00 0.00 C ATOM 0 H ILE A 76 -3.962 -14.636 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.397 -13.386 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.172 -15.641 -7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.044 -16.203 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.596 -17.149 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.168 -16.353 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.105 -14.709 -7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.415 -14.944 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.575 -16.174 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.248 -15.501 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.718 -14.540 -3.720 1.00 0.00 H new ATOM 126 N ALA A 77 -1.011 -12.071 -7.404 1.00 0.00 N ATOM 127 CA ALA A 77 -0.803 -11.227 -8.573 1.00 0.00 C ATOM 128 C ALA A 77 -0.241 -12.045 -9.728 1.00 0.00 C ATOM 129 O ALA A 77 0.313 -13.126 -9.524 1.00 0.00 O ATOM 130 CB ALA A 77 0.156 -10.085 -8.235 1.00 0.00 C ATOM 0 H ALA A 77 -0.385 -11.875 -6.623 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.765 -10.810 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.304 -9.461 -9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.265 -9.482 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.114 -10.496 -7.917 1.00 0.00 H new ATOM 136 N GLN A 78 -0.389 -11.527 -10.942 1.00 0.00 N ATOM 137 CA GLN A 78 0.103 -12.223 -12.122 1.00 0.00 C ATOM 138 C GLN A 78 1.614 -12.405 -12.033 1.00 0.00 C ATOM 139 O GLN A 78 2.324 -11.546 -11.512 1.00 0.00 O ATOM 140 CB GLN A 78 -0.234 -11.416 -13.377 1.00 0.00 C ATOM 141 CG GLN A 78 -1.749 -11.219 -13.473 1.00 0.00 C ATOM 142 CD GLN A 78 -2.450 -12.568 -13.589 1.00 0.00 C ATOM 143 OE1 GLN A 78 -2.157 -13.343 -14.499 1.00 0.00 O ATOM 144 NE2 GLN A 78 -3.366 -12.895 -12.718 1.00 0.00 N ATOM 0 H GLN A 78 -0.843 -10.634 -11.133 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.375 -13.201 -12.176 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.267 -10.448 -13.344 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.132 -11.934 -14.263 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.110 -10.688 -12.592 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.988 -10.601 -14.338 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.607 -12.251 -11.965 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.841 -13.795 -12.791 1.00 0.00 H new ATOM 153 N MET A 79 2.099 -13.534 -12.541 1.00 0.00 N ATOM 154 CA MET A 79 3.529 -13.829 -12.515 1.00 0.00 C ATOM 155 C MET A 79 4.227 -13.214 -13.725 1.00 0.00 C ATOM 156 O MET A 79 3.673 -13.180 -14.823 1.00 0.00 O ATOM 157 CB MET A 79 3.746 -15.347 -12.513 1.00 0.00 C ATOM 158 CG MET A 79 2.781 -16.014 -13.503 1.00 0.00 C ATOM 159 SD MET A 79 1.181 -16.283 -12.700 1.00 0.00 S ATOM 160 CE MET A 79 1.586 -17.856 -11.901 1.00 0.00 C ATOM 0 H MET A 79 1.526 -14.258 -12.974 1.00 0.00 H new ATOM 0 HA MET A 79 3.955 -13.398 -11.609 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.776 -15.576 -12.785 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.585 -15.745 -11.511 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.656 -15.385 -14.385 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.193 -16.964 -13.844 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.001 -17.961 -10.987 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.353 -18.678 -12.577 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.648 -17.877 -11.657 1.00 0.00 H new ATOM 170 N THR A 80 5.449 -12.741 -13.512 1.00 0.00 N ATOM 171 CA THR A 80 6.228 -12.137 -14.587 1.00 0.00 C ATOM 172 C THR A 80 6.829 -13.215 -15.480 1.00 0.00 C ATOM 173 O THR A 80 6.827 -14.396 -15.131 1.00 0.00 O ATOM 174 CB THR A 80 7.343 -11.269 -14.008 1.00 0.00 C ATOM 175 OG1 THR A 80 8.253 -12.089 -13.290 1.00 0.00 O ATOM 176 CG2 THR A 80 6.741 -10.224 -13.067 1.00 0.00 C ATOM 0 H THR A 80 5.921 -12.764 -12.608 1.00 0.00 H new ATOM 0 HA THR A 80 5.563 -11.514 -15.184 1.00 0.00 H new ATOM 0 HB THR A 80 7.870 -10.764 -14.818 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.971 -11.534 -12.919 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.537 -9.605 -12.654 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.043 -9.596 -13.620 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.214 -10.726 -12.256 1.00 0.00 H new ATOM 184 N GLU A 81 7.337 -12.805 -16.637 1.00 0.00 N ATOM 185 CA GLU A 81 7.929 -13.754 -17.570 1.00 0.00 C ATOM 186 C GLU A 81 9.110 -14.466 -16.913 1.00 0.00 C ATOM 187 O GLU A 81 9.275 -15.680 -17.056 1.00 0.00 O ATOM 188 CB GLU A 81 8.411 -13.016 -18.827 1.00 0.00 C ATOM 189 CG GLU A 81 8.949 -14.021 -19.854 1.00 0.00 C ATOM 190 CD GLU A 81 7.822 -14.936 -20.320 1.00 0.00 C ATOM 191 OE1 GLU A 81 6.674 -14.551 -20.167 1.00 0.00 O ATOM 192 OE2 GLU A 81 8.121 -16.009 -20.817 1.00 0.00 O ATOM 0 H GLU A 81 7.351 -11.834 -16.948 1.00 0.00 H new ATOM 0 HA GLU A 81 7.176 -14.491 -17.849 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.590 -12.445 -19.261 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.191 -12.302 -18.562 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.376 -13.491 -20.706 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.751 -14.612 -19.412 1.00 0.00 H new ATOM 199 N GLU A 82 9.930 -13.708 -16.196 1.00 0.00 N ATOM 200 CA GLU A 82 11.089 -14.280 -15.525 1.00 0.00 C ATOM 201 C GLU A 82 10.644 -15.275 -14.459 1.00 0.00 C ATOM 202 O GLU A 82 11.266 -16.321 -14.269 1.00 0.00 O ATOM 203 CB GLU A 82 11.921 -13.170 -14.876 1.00 0.00 C ATOM 204 CG GLU A 82 12.520 -12.278 -15.966 1.00 0.00 C ATOM 205 CD GLU A 82 13.570 -13.051 -16.758 1.00 0.00 C ATOM 206 OE1 GLU A 82 13.975 -14.104 -16.295 1.00 0.00 O ATOM 207 OE2 GLU A 82 13.954 -12.577 -17.814 1.00 0.00 O ATOM 0 H GLU A 82 9.815 -12.703 -16.065 1.00 0.00 H new ATOM 0 HA GLU A 82 11.698 -14.800 -16.265 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.297 -12.577 -14.208 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.715 -13.604 -14.269 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.733 -11.929 -16.635 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.971 -11.394 -15.516 1.00 0.00 H new ATOM 214 N GLU A 83 9.563 -14.941 -13.764 1.00 0.00 N ATOM 215 CA GLU A 83 9.041 -15.811 -12.720 1.00 0.00 C ATOM 216 C GLU A 83 8.592 -17.142 -13.311 1.00 0.00 C ATOM 217 O GLU A 83 8.816 -18.201 -12.725 1.00 0.00 O ATOM 218 CB GLU A 83 7.860 -15.136 -12.016 1.00 0.00 C ATOM 219 CG GLU A 83 7.369 -16.022 -10.868 1.00 0.00 C ATOM 220 CD GLU A 83 6.257 -15.315 -10.102 1.00 0.00 C ATOM 221 OE1 GLU A 83 5.898 -14.217 -10.496 1.00 0.00 O ATOM 222 OE2 GLU A 83 5.785 -15.878 -9.128 1.00 0.00 O ATOM 0 H GLU A 83 9.035 -14.080 -13.904 1.00 0.00 H new ATOM 0 HA GLU A 83 9.834 -15.996 -11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.162 -14.161 -11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.051 -14.963 -12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.005 -16.971 -11.261 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.196 -16.252 -10.196 1.00 0.00 H new ATOM 229 N GLN A 84 7.951 -17.086 -14.473 1.00 0.00 N ATOM 230 CA GLN A 84 7.472 -18.302 -15.121 1.00 0.00 C ATOM 231 C GLN A 84 8.639 -19.232 -15.437 1.00 0.00 C ATOM 232 O GLN A 84 8.555 -20.443 -15.230 1.00 0.00 O ATOM 233 CB GLN A 84 6.735 -17.945 -16.416 1.00 0.00 C ATOM 234 CG GLN A 84 6.069 -19.196 -17.004 1.00 0.00 C ATOM 235 CD GLN A 84 7.109 -20.066 -17.703 1.00 0.00 C ATOM 236 OE1 GLN A 84 7.101 -21.287 -17.553 1.00 0.00 O ATOM 237 NE2 GLN A 84 8.013 -19.504 -18.458 1.00 0.00 N ATOM 0 H GLN A 84 7.753 -16.224 -14.981 1.00 0.00 H new ATOM 0 HA GLN A 84 6.788 -18.812 -14.442 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.982 -17.182 -16.217 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.434 -17.522 -17.137 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.582 -19.764 -16.212 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.292 -18.905 -17.711 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.017 -18.491 -18.581 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.715 -20.077 -18.925 1.00 0.00 H new ATOM 246 N PHE A 85 9.731 -18.662 -15.931 1.00 0.00 N ATOM 247 CA PHE A 85 10.907 -19.459 -16.256 1.00 0.00 C ATOM 248 C PHE A 85 11.474 -20.084 -14.988 1.00 0.00 C ATOM 249 O PHE A 85 11.886 -21.245 -14.980 1.00 0.00 O ATOM 250 CB PHE A 85 11.967 -18.590 -16.933 1.00 0.00 C ATOM 251 CG PHE A 85 13.105 -19.468 -17.409 1.00 0.00 C ATOM 252 CD1 PHE A 85 12.889 -20.389 -18.442 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.375 -19.356 -16.826 1.00 0.00 C ATOM 254 CE1 PHE A 85 13.940 -21.199 -18.890 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.425 -20.168 -17.275 1.00 0.00 C ATOM 256 CZ PHE A 85 15.207 -21.089 -18.306 1.00 0.00 C ATOM 0 H PHE A 85 9.827 -17.663 -16.114 1.00 0.00 H new ATOM 0 HA PHE A 85 10.616 -20.252 -16.945 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.530 -18.053 -17.775 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.339 -17.840 -16.235 1.00 0.00 H new ATOM 0 HD1 PHE A 85 11.912 -20.475 -18.893 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.544 -18.644 -16.031 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.773 -21.909 -19.687 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.403 -20.083 -16.825 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.017 -21.715 -18.651 1.00 0.00 H new ATOM 266 N ALA A 86 11.485 -19.305 -13.910 1.00 0.00 N ATOM 267 CA ALA A 86 11.992 -19.791 -12.634 1.00 0.00 C ATOM 268 C ALA A 86 11.172 -20.988 -12.170 1.00 0.00 C ATOM 269 O ALA A 86 11.712 -21.965 -11.655 1.00 0.00 O ATOM 270 CB ALA A 86 11.916 -18.679 -11.583 1.00 0.00 C ATOM 0 H ALA A 86 11.151 -18.341 -13.896 1.00 0.00 H new ATOM 0 HA ALA A 86 13.031 -20.095 -12.761 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.297 -19.051 -10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.517 -17.830 -11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.880 -18.364 -11.461 1.00 0.00 H new ATOM 276 N LEU A 87 9.862 -20.906 -12.369 1.00 0.00 N ATOM 277 CA LEU A 87 8.970 -21.992 -11.980 1.00 0.00 C ATOM 278 C LEU A 87 9.314 -23.259 -12.756 1.00 0.00 C ATOM 279 O LEU A 87 9.270 -24.360 -12.212 1.00 0.00 O ATOM 280 CB LEU A 87 7.500 -21.581 -12.241 1.00 0.00 C ATOM 281 CG LEU A 87 6.791 -21.237 -10.926 1.00 0.00 C ATOM 282 CD1 LEU A 87 7.421 -19.987 -10.310 1.00 0.00 C ATOM 283 CD2 LEU A 87 5.310 -20.979 -11.206 1.00 0.00 C ATOM 0 H LEU A 87 9.396 -20.105 -12.794 1.00 0.00 H new ATOM 0 HA LEU A 87 9.096 -22.194 -10.916 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.471 -20.722 -12.911 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.974 -22.394 -12.742 1.00 0.00 H new ATOM 0 HG LEU A 87 6.894 -22.069 -10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.914 -19.747 -9.376 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.477 -20.171 -10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.322 -19.151 -11.002 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.801 -20.734 -10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.211 -20.147 -11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.861 -21.872 -11.641 1.00 0.00 H new ATOM 295 N ALA A 88 9.652 -23.101 -14.025 1.00 0.00 N ATOM 296 CA ALA A 88 9.987 -24.251 -14.847 1.00 0.00 C ATOM 297 C ALA A 88 11.185 -24.987 -14.262 1.00 0.00 C ATOM 298 O ALA A 88 11.204 -26.217 -14.201 1.00 0.00 O ATOM 299 CB ALA A 88 10.313 -23.787 -16.269 1.00 0.00 C ATOM 0 H ALA A 88 9.701 -22.201 -14.503 1.00 0.00 H new ATOM 0 HA ALA A 88 9.134 -24.929 -14.870 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.564 -24.651 -16.885 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.447 -23.278 -16.693 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.160 -23.101 -16.243 1.00 0.00 H new ATOM 305 N LEU A 89 12.179 -24.228 -13.821 1.00 0.00 N ATOM 306 CA LEU A 89 13.376 -24.818 -13.235 1.00 0.00 C ATOM 307 C LEU A 89 13.045 -25.467 -11.896 1.00 0.00 C ATOM 308 O LEU A 89 13.566 -26.532 -11.561 1.00 0.00 O ATOM 309 CB LEU A 89 14.442 -23.740 -13.037 1.00 0.00 C ATOM 310 CG LEU A 89 14.813 -23.122 -14.394 1.00 0.00 C ATOM 311 CD1 LEU A 89 15.818 -21.985 -14.177 1.00 0.00 C ATOM 312 CD2 LEU A 89 15.427 -24.189 -15.322 1.00 0.00 C ATOM 0 H LEU A 89 12.181 -23.209 -13.857 1.00 0.00 H new ATOM 0 HA LEU A 89 13.757 -25.582 -13.912 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.071 -22.967 -12.364 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.327 -24.172 -12.569 1.00 0.00 H new ATOM 0 HG LEU A 89 13.911 -22.730 -14.864 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.083 -21.545 -15.138 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.372 -21.222 -13.539 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.715 -22.379 -13.699 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.684 -23.735 -16.279 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.326 -24.598 -14.861 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.705 -24.990 -15.483 1.00 0.00 H new ATOM 324 N LYS A 90 12.175 -24.818 -11.130 1.00 0.00 N ATOM 325 CA LYS A 90 11.785 -25.339 -9.826 1.00 0.00 C ATOM 326 C LYS A 90 11.063 -26.673 -9.982 1.00 0.00 C ATOM 327 O LYS A 90 11.286 -27.603 -9.208 1.00 0.00 O ATOM 328 CB LYS A 90 10.873 -24.338 -9.113 1.00 0.00 C ATOM 329 CG LYS A 90 10.540 -24.854 -7.710 1.00 0.00 C ATOM 330 CD LYS A 90 9.666 -23.831 -6.984 1.00 0.00 C ATOM 331 CE LYS A 90 9.347 -24.341 -5.578 1.00 0.00 C ATOM 332 NZ LYS A 90 8.504 -23.339 -4.867 1.00 0.00 N ATOM 0 H LYS A 90 11.730 -23.937 -11.387 1.00 0.00 H new ATOM 0 HA LYS A 90 12.685 -25.492 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.364 -23.367 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.957 -24.194 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.020 -25.810 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.457 -25.028 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.181 -22.872 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.744 -23.665 -7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.825 -25.296 -5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.270 -24.515 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.286 -23.685 -3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.018 -22.437 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.618 -23.195 -5.393 1.00 0.00 H new ATOM 346 N MET A 91 10.199 -26.763 -10.987 1.00 0.00 N ATOM 347 CA MET A 91 9.455 -27.993 -11.229 1.00 0.00 C ATOM 348 C MET A 91 10.403 -29.137 -11.571 1.00 0.00 C ATOM 349 O MET A 91 10.220 -30.262 -11.109 1.00 0.00 O ATOM 350 CB MET A 91 8.466 -27.787 -12.379 1.00 0.00 C ATOM 351 CG MET A 91 7.321 -26.883 -11.919 1.00 0.00 C ATOM 352 SD MET A 91 6.233 -26.528 -13.321 1.00 0.00 S ATOM 353 CE MET A 91 5.039 -25.504 -12.426 1.00 0.00 C ATOM 0 H MET A 91 9.998 -26.007 -11.641 1.00 0.00 H new ATOM 0 HA MET A 91 8.910 -28.249 -10.321 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.975 -27.340 -13.233 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.073 -28.748 -12.710 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.758 -27.368 -11.122 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.719 -25.955 -11.509 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.261 -25.168 -13.112 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.588 -26.088 -11.624 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.548 -24.638 -12.002 1.00 0.00 H new ATOM 363 N SER A 92 11.417 -28.844 -12.373 1.00 0.00 N ATOM 364 CA SER A 92 12.385 -29.863 -12.757 1.00 0.00 C ATOM 365 C SER A 92 13.112 -30.397 -11.525 1.00 0.00 C ATOM 366 O SER A 92 13.335 -31.605 -11.387 1.00 0.00 O ATOM 367 CB SER A 92 13.400 -29.268 -13.736 1.00 0.00 C ATOM 368 OG SER A 92 14.341 -30.266 -14.105 1.00 0.00 O ATOM 0 H SER A 92 11.590 -27.919 -12.767 1.00 0.00 H new ATOM 0 HA SER A 92 11.856 -30.686 -13.237 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.889 -28.889 -14.621 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.912 -28.422 -13.277 1.00 0.00 H new ATOM 0 HG SER A 92 14.991 -29.887 -14.733 1.00 0.00 H new ATOM 374 N GLU A 93 13.474 -29.490 -10.626 1.00 0.00 N ATOM 375 CA GLU A 93 14.174 -29.882 -9.409 1.00 0.00 C ATOM 376 C GLU A 93 13.279 -30.766 -8.551 1.00 0.00 C ATOM 377 O GLU A 93 13.735 -31.754 -7.974 1.00 0.00 O ATOM 378 CB GLU A 93 14.591 -28.636 -8.616 1.00 0.00 C ATOM 379 CG GLU A 93 15.365 -29.048 -7.356 1.00 0.00 C ATOM 380 CD GLU A 93 16.644 -29.783 -7.744 1.00 0.00 C ATOM 381 OE1 GLU A 93 17.095 -29.594 -8.862 1.00 0.00 O ATOM 382 OE2 GLU A 93 17.148 -30.530 -6.922 1.00 0.00 O ATOM 0 H GLU A 93 13.297 -28.489 -10.714 1.00 0.00 H new ATOM 0 HA GLU A 93 15.067 -30.443 -9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.211 -27.990 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.708 -28.060 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 93 15.609 -28.165 -6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.743 -29.689 -6.731 1.00 0.00 H new ATOM 389 N GLN A 94 12.006 -30.406 -8.468 1.00 0.00 N ATOM 390 CA GLN A 94 11.058 -31.175 -7.676 1.00 0.00 C ATOM 391 C GLN A 94 10.909 -32.585 -8.233 1.00 0.00 C ATOM 392 O GLN A 94 10.817 -33.550 -7.481 1.00 0.00 O ATOM 393 CB GLN A 94 9.695 -30.479 -7.664 1.00 0.00 C ATOM 394 CG GLN A 94 9.773 -29.197 -6.831 1.00 0.00 C ATOM 395 CD GLN A 94 9.995 -29.541 -5.362 1.00 0.00 C ATOM 396 OE1 GLN A 94 9.217 -30.295 -4.778 1.00 0.00 O ATOM 397 NE2 GLN A 94 11.019 -29.038 -4.730 1.00 0.00 N ATOM 0 H GLN A 94 11.608 -29.592 -8.936 1.00 0.00 H new ATOM 0 HA GLN A 94 11.439 -31.240 -6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.388 -30.243 -8.683 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.939 -31.147 -7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.586 -28.568 -7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.853 -28.624 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.662 -28.413 -5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.177 -29.269 -3.749 1.00 0.00 H new ATOM 406 N GLU A 95 10.892 -32.700 -9.555 1.00 0.00 N ATOM 407 CA GLU A 95 10.749 -34.006 -10.190 1.00 0.00 C ATOM 408 C GLU A 95 11.903 -34.922 -9.794 1.00 0.00 C ATOM 409 O GLU A 95 11.703 -36.106 -9.534 1.00 0.00 O ATOM 410 CB GLU A 95 10.723 -33.837 -11.710 1.00 0.00 C ATOM 411 CG GLU A 95 9.396 -33.203 -12.136 1.00 0.00 C ATOM 412 CD GLU A 95 9.455 -32.811 -13.608 1.00 0.00 C ATOM 413 OE1 GLU A 95 10.550 -32.764 -14.146 1.00 0.00 O ATOM 414 OE2 GLU A 95 8.405 -32.561 -14.178 1.00 0.00 O ATOM 0 H GLU A 95 10.974 -31.916 -10.202 1.00 0.00 H new ATOM 0 HA GLU A 95 9.815 -34.458 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.556 -33.211 -12.030 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.847 -34.805 -12.195 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.578 -33.905 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.191 -32.324 -11.525 1.00 0.00 H new ATOM 421 N ALA A 96 13.107 -34.371 -9.745 1.00 0.00 N ATOM 422 CA ALA A 96 14.269 -35.164 -9.357 1.00 0.00 C ATOM 423 C ALA A 96 14.197 -35.543 -7.874 1.00 0.00 C ATOM 424 O ALA A 96 14.553 -36.655 -7.480 1.00 0.00 O ATOM 425 CB ALA A 96 15.547 -34.373 -9.624 1.00 0.00 C ATOM 0 H ALA A 96 13.306 -33.395 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 96 14.276 -36.079 -9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.412 -34.969 -9.333 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.612 -34.134 -10.686 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.531 -33.450 -9.045 1.00 0.00 H new ATOM 431 N ARG A 97 13.733 -34.608 -7.054 1.00 0.00 N ATOM 432 CA ARG A 97 13.627 -34.846 -5.618 1.00 0.00 C ATOM 433 C ARG A 97 12.467 -35.784 -5.302 1.00 0.00 C ATOM 434 O ARG A 97 12.358 -36.299 -4.189 1.00 0.00 O ATOM 435 CB ARG A 97 13.443 -33.521 -4.879 1.00 0.00 C ATOM 436 CG ARG A 97 14.720 -32.686 -5.006 1.00 0.00 C ATOM 437 CD ARG A 97 14.492 -31.308 -4.384 1.00 0.00 C ATOM 438 NE ARG A 97 14.244 -31.437 -2.952 1.00 0.00 N ATOM 439 CZ ARG A 97 13.841 -30.398 -2.230 1.00 0.00 C ATOM 440 NH1 ARG A 97 13.659 -29.237 -2.798 1.00 0.00 N ATOM 441 NH2 ARG A 97 13.627 -30.537 -0.950 1.00 0.00 N ATOM 0 H ARG A 97 13.426 -33.683 -7.355 1.00 0.00 H new ATOM 0 HA ARG A 97 14.550 -35.320 -5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.596 -32.975 -5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.219 -33.706 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.548 -33.190 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.996 -32.582 -6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.363 -30.675 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.644 -30.819 -4.865 1.00 0.00 H new ATOM 0 HE ARG A 97 14.382 -32.340 -2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.826 -29.127 -3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.349 -28.440 -2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.769 -31.444 -0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.317 -29.739 -0.395 1.00 0.00 H new ATOM 455 N GLU A 98 11.606 -36.006 -6.289 1.00 0.00 N ATOM 456 CA GLU A 98 10.461 -36.893 -6.109 1.00 0.00 C ATOM 457 C GLU A 98 10.897 -38.348 -6.140 1.00 0.00 C ATOM 458 O GLU A 98 10.089 -39.255 -5.940 1.00 0.00 O ATOM 459 CB GLU A 98 9.402 -36.628 -7.194 1.00 0.00 C ATOM 460 CG GLU A 98 8.524 -35.436 -6.797 1.00 0.00 C ATOM 461 CD GLU A 98 7.496 -35.873 -5.759 1.00 0.00 C ATOM 462 OE1 GLU A 98 7.445 -37.056 -5.466 1.00 0.00 O ATOM 463 OE2 GLU A 98 6.774 -35.019 -5.274 1.00 0.00 O ATOM 0 H GLU A 98 11.677 -35.587 -7.216 1.00 0.00 H new ATOM 0 HA GLU A 98 10.020 -36.689 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.890 -36.428 -8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.783 -37.515 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.143 -34.635 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.019 -35.036 -7.676 1.00 0.00 H new ATOM 470 N VAL A 99 12.177 -38.565 -6.380 1.00 0.00 N ATOM 471 CA VAL A 99 12.706 -39.920 -6.424 1.00 0.00 C ATOM 472 C VAL A 99 12.711 -40.529 -5.026 1.00 0.00 C ATOM 473 O VAL A 99 13.218 -39.929 -4.077 1.00 0.00 O ATOM 474 CB VAL A 99 14.128 -39.909 -6.989 1.00 0.00 C ATOM 475 CG1 VAL A 99 14.737 -41.311 -6.890 1.00 0.00 C ATOM 476 CG2 VAL A 99 14.087 -39.476 -8.455 1.00 0.00 C ATOM 0 H VAL A 99 12.865 -37.831 -6.546 1.00 0.00 H new ATOM 0 HA VAL A 99 12.069 -40.523 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 99 14.738 -39.211 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.749 -41.297 -7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.767 -41.622 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.129 -42.013 -7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.099 -39.467 -8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.474 -40.175 -9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.659 -38.476 -8.527 1.00 0.00 H new ATOM 486 N ASN A 100 12.145 -41.727 -4.905 1.00 0.00 N ATOM 487 CA ASN A 100 12.092 -42.412 -3.618 1.00 0.00 C ATOM 488 C ASN A 100 13.403 -43.144 -3.340 1.00 0.00 C ATOM 489 O ASN A 100 13.871 -43.937 -4.157 1.00 0.00 O ATOM 490 CB ASN A 100 10.932 -43.410 -3.610 1.00 0.00 C ATOM 491 CG ASN A 100 11.122 -44.436 -4.722 1.00 0.00 C ATOM 492 OD1 ASN A 100 12.003 -44.280 -5.566 1.00 0.00 O ATOM 493 ND2 ASN A 100 10.341 -45.481 -4.774 1.00 0.00 N ATOM 0 H ASN A 100 11.720 -42.240 -5.677 1.00 0.00 H new ATOM 0 HA ASN A 100 11.938 -41.668 -2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.880 -43.913 -2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.987 -42.884 -3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.461 -46.171 -5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.611 -45.608 -4.073 1.00 0.00 H new ATOM 500 N SER A 101 13.983 -42.875 -2.177 1.00 0.00 N ATOM 501 CA SER A 101 15.236 -43.512 -1.784 1.00 0.00 C ATOM 502 C SER A 101 15.030 -45.004 -1.553 1.00 0.00 C ATOM 503 O SER A 101 15.978 -45.789 -1.593 1.00 0.00 O ATOM 504 CB SER A 101 15.783 -42.863 -0.514 1.00 0.00 C ATOM 505 OG SER A 101 16.154 -41.520 -0.797 1.00 0.00 O ATOM 0 H SER A 101 13.608 -42.221 -1.490 1.00 0.00 H new ATOM 0 HA SER A 101 15.955 -43.379 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.030 -42.886 0.274 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.645 -43.421 -0.148 1.00 0.00 H new ATOM 0 HG SER A 101 16.504 -41.099 0.016 1.00 0.00 H new ATOM 511 N GLN A 102 13.785 -45.385 -1.296 1.00 0.00 N ATOM 512 CA GLN A 102 13.457 -46.781 -1.045 1.00 0.00 C ATOM 513 C GLN A 102 13.799 -47.629 -2.262 1.00 0.00 C ATOM 514 O GLN A 102 14.102 -48.814 -2.136 1.00 0.00 O ATOM 515 CB GLN A 102 11.965 -46.920 -0.720 1.00 0.00 C ATOM 516 CG GLN A 102 11.651 -46.200 0.596 1.00 0.00 C ATOM 517 CD GLN A 102 12.402 -46.855 1.750 1.00 0.00 C ATOM 518 OE1 GLN A 102 12.245 -48.051 1.993 1.00 0.00 O ATOM 519 NE2 GLN A 102 13.223 -46.141 2.469 1.00 0.00 N ATOM 0 H GLN A 102 12.989 -44.749 -1.256 1.00 0.00 H new ATOM 0 HA GLN A 102 14.043 -47.129 -0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.367 -46.498 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.697 -47.974 -0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.932 -45.150 0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.578 -46.230 0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.350 -45.150 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.738 -46.574 3.236 1.00 0.00 H new ATOM 528 N GLU A 103 13.744 -47.025 -3.443 1.00 0.00 N ATOM 529 CA GLU A 103 14.048 -47.755 -4.665 1.00 0.00 C ATOM 530 C GLU A 103 15.486 -48.269 -4.632 1.00 0.00 C ATOM 531 O GLU A 103 15.750 -49.415 -4.998 1.00 0.00 O ATOM 532 CB GLU A 103 13.865 -46.830 -5.871 1.00 0.00 C ATOM 533 CG GLU A 103 14.126 -47.604 -7.168 1.00 0.00 C ATOM 534 CD GLU A 103 13.891 -46.700 -8.373 1.00 0.00 C ATOM 535 OE1 GLU A 103 13.543 -45.548 -8.167 1.00 0.00 O ATOM 536 OE2 GLU A 103 14.064 -47.171 -9.484 1.00 0.00 O ATOM 0 H GLU A 103 13.495 -46.045 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 103 13.371 -48.605 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.854 -46.423 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.549 -45.984 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.150 -47.978 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.469 -48.472 -7.221 1.00 0.00 H new ATOM 543 N GLU A 104 16.410 -47.426 -4.183 1.00 0.00 N ATOM 544 CA GLU A 104 17.811 -47.825 -4.103 1.00 0.00 C ATOM 545 C GLU A 104 18.007 -48.875 -3.013 1.00 0.00 C ATOM 546 O GLU A 104 18.745 -49.844 -3.191 1.00 0.00 O ATOM 547 CB GLU A 104 18.681 -46.604 -3.802 1.00 0.00 C ATOM 548 CG GLU A 104 18.711 -45.687 -5.026 1.00 0.00 C ATOM 549 CD GLU A 104 19.515 -46.335 -6.147 1.00 0.00 C ATOM 550 OE1 GLU A 104 20.716 -46.127 -6.185 1.00 0.00 O ATOM 551 OE2 GLU A 104 18.917 -47.030 -6.953 1.00 0.00 O ATOM 0 H GLU A 104 16.218 -46.474 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 104 18.105 -48.254 -5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.286 -46.066 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.692 -46.919 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.695 -45.488 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.152 -44.727 -4.760 1.00 0.00 H new ATOM 558 N GLU A 105 17.333 -48.672 -1.886 1.00 0.00 N ATOM 559 CA GLU A 105 17.429 -49.604 -0.767 1.00 0.00 C ATOM 560 C GLU A 105 16.822 -50.951 -1.143 1.00 0.00 C ATOM 561 O GLU A 105 17.347 -52.004 -0.780 1.00 0.00 O ATOM 562 CB GLU A 105 16.710 -49.036 0.461 1.00 0.00 C ATOM 563 CG GLU A 105 16.909 -49.977 1.655 1.00 0.00 C ATOM 564 CD GLU A 105 16.205 -49.413 2.886 1.00 0.00 C ATOM 565 OE1 GLU A 105 15.608 -48.356 2.769 1.00 0.00 O ATOM 566 OE2 GLU A 105 16.274 -50.049 3.924 1.00 0.00 O ATOM 0 H GLU A 105 16.717 -47.875 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 105 18.483 -49.746 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.099 -48.046 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.647 -48.919 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.513 -50.965 1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.973 -50.100 1.858 1.00 0.00 H new ATOM 573 N GLU A 106 15.706 -50.908 -1.863 1.00 0.00 N ATOM 574 CA GLU A 106 15.028 -52.128 -2.274 1.00 0.00 C ATOM 575 C GLU A 106 15.945 -52.968 -3.155 1.00 0.00 C ATOM 576 O GLU A 106 16.002 -54.191 -3.019 1.00 0.00 O ATOM 577 CB GLU A 106 13.749 -51.782 -3.043 1.00 0.00 C ATOM 578 CG GLU A 106 12.989 -53.067 -3.385 1.00 0.00 C ATOM 579 CD GLU A 106 11.691 -52.729 -4.112 1.00 0.00 C ATOM 580 OE1 GLU A 106 11.438 -51.554 -4.319 1.00 0.00 O ATOM 581 OE2 GLU A 106 10.970 -53.652 -4.453 1.00 0.00 O ATOM 0 H GLU A 106 15.256 -50.046 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 106 14.768 -52.701 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.119 -51.124 -2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.997 -51.241 -3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.609 -53.710 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.770 -53.623 -2.474 1.00 0.00 H new ATOM 588 N GLU A 107 16.662 -52.310 -4.060 1.00 0.00 N ATOM 589 CA GLU A 107 17.571 -53.015 -4.953 1.00 0.00 C ATOM 590 C GLU A 107 18.657 -53.726 -4.151 1.00 0.00 C ATOM 591 O GLU A 107 18.995 -54.876 -4.428 1.00 0.00 O ATOM 592 CB GLU A 107 18.212 -52.023 -5.927 1.00 0.00 C ATOM 593 CG GLU A 107 19.124 -52.772 -6.903 1.00 0.00 C ATOM 594 CD GLU A 107 19.698 -51.802 -7.930 1.00 0.00 C ATOM 595 OE1 GLU A 107 19.362 -50.632 -7.863 1.00 0.00 O ATOM 596 OE2 GLU A 107 20.467 -52.244 -8.767 1.00 0.00 O ATOM 0 H GLU A 107 16.632 -51.299 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 107 17.006 -53.759 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.438 -51.487 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.787 -51.278 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 107 19.933 -53.258 -6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.563 -53.558 -7.407 1.00 0.00 H new ATOM 603 N GLU A 108 19.195 -53.035 -3.149 1.00 0.00 N ATOM 604 CA GLU A 108 20.235 -53.617 -2.309 1.00 0.00 C ATOM 605 C GLU A 108 19.692 -54.817 -1.540 1.00 0.00 C ATOM 606 O GLU A 108 20.356 -55.847 -1.421 1.00 0.00 O ATOM 607 CB GLU A 108 20.764 -52.568 -1.326 1.00 0.00 C ATOM 608 CG GLU A 108 21.886 -53.175 -0.478 1.00 0.00 C ATOM 609 CD GLU A 108 22.479 -52.113 0.441 1.00 0.00 C ATOM 610 OE1 GLU A 108 22.017 -50.986 0.384 1.00 0.00 O ATOM 611 OE2 GLU A 108 23.384 -52.444 1.186 1.00 0.00 O ATOM 0 H GLU A 108 18.931 -52.081 -2.902 1.00 0.00 H new ATOM 0 HA GLU A 108 21.050 -53.952 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 108 21.136 -51.700 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.957 -52.219 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.498 -54.004 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 108 22.663 -53.582 -1.125 1.00 0.00 H new ATOM 618 N LEU A 109 18.479 -54.672 -1.022 1.00 0.00 N ATOM 619 CA LEU A 109 17.847 -55.746 -0.265 1.00 0.00 C ATOM 620 C LEU A 109 17.629 -56.963 -1.147 1.00 0.00 C ATOM 621 O LEU A 109 17.786 -58.099 -0.704 1.00 0.00 O ATOM 622 CB LEU A 109 16.507 -55.270 0.302 1.00 0.00 C ATOM 623 CG LEU A 109 16.753 -54.242 1.418 1.00 0.00 C ATOM 624 CD1 LEU A 109 15.425 -53.571 1.789 1.00 0.00 C ATOM 625 CD2 LEU A 109 17.357 -54.925 2.667 1.00 0.00 C ATOM 0 H LEU A 109 17.915 -53.826 -1.111 1.00 0.00 H new ATOM 0 HA LEU A 109 18.507 -56.023 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 109 15.904 -54.825 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 109 15.945 -56.118 0.693 1.00 0.00 H new ATOM 0 HG LEU A 109 17.459 -53.494 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.595 -52.841 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 109 15.014 -53.068 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 109 14.721 -54.326 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 109 17.523 -54.180 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.668 -55.686 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 109 18.306 -55.392 2.403 1.00 0.00 H new ATOM 637 N LEU A 110 17.262 -56.723 -2.396 1.00 0.00 N ATOM 638 CA LEU A 110 17.019 -57.818 -3.320 1.00 0.00 C ATOM 639 C LEU A 110 18.290 -58.638 -3.518 1.00 0.00 C ATOM 640 O LEU A 110 18.248 -59.869 -3.522 1.00 0.00 O ATOM 641 CB LEU A 110 16.550 -57.263 -4.671 1.00 0.00 C ATOM 642 CG LEU A 110 16.296 -58.415 -5.658 1.00 0.00 C ATOM 643 CD1 LEU A 110 15.205 -59.351 -5.106 1.00 0.00 C ATOM 644 CD2 LEU A 110 15.851 -57.833 -7.007 1.00 0.00 C ATOM 0 H LEU A 110 17.127 -55.792 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 110 16.245 -58.462 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 110 15.638 -56.681 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 110 17.303 -56.587 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 110 17.214 -58.988 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 110 15.032 -60.164 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 110 15.529 -59.763 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 110 14.281 -58.790 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 110 15.669 -58.645 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 110 14.935 -57.259 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 110 16.633 -57.182 -7.398 1.00 0.00 H new ATOM 656 N ARG A 111 19.415 -57.955 -3.683 1.00 0.00 N ATOM 657 CA ARG A 111 20.682 -58.643 -3.881 1.00 0.00 C ATOM 658 C ARG A 111 21.022 -59.493 -2.663 1.00 0.00 C ATOM 659 O ARG A 111 21.485 -60.627 -2.791 1.00 0.00 O ATOM 660 CB ARG A 111 21.795 -57.622 -4.130 1.00 0.00 C ATOM 661 CG ARG A 111 23.124 -58.348 -4.345 1.00 0.00 C ATOM 662 CD ARG A 111 24.196 -57.339 -4.757 1.00 0.00 C ATOM 663 NE ARG A 111 24.423 -56.374 -3.686 1.00 0.00 N ATOM 664 CZ ARG A 111 25.240 -56.648 -2.673 1.00 0.00 C ATOM 665 NH1 ARG A 111 25.861 -57.795 -2.630 1.00 0.00 N ATOM 666 NH2 ARG A 111 25.423 -55.770 -1.726 1.00 0.00 N ATOM 0 H ARG A 111 19.476 -56.937 -3.684 1.00 0.00 H new ATOM 0 HA ARG A 111 20.593 -59.296 -4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 111 21.556 -57.015 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 111 21.874 -56.942 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 111 23.423 -58.859 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 111 23.013 -59.111 -5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 111 25.125 -57.860 -4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 111 23.887 -56.820 -5.664 1.00 0.00 H new ATOM 0 HE ARG A 111 23.946 -55.473 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 111 25.719 -58.480 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 111 26.488 -58.007 -1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 111 24.939 -54.873 -1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 111 26.050 -55.981 -0.949 1.00 0.00 H new ATOM 680 N LYS A 112 20.781 -58.935 -1.484 1.00 0.00 N ATOM 681 CA LYS A 112 21.055 -59.642 -0.238 1.00 0.00 C ATOM 682 C LYS A 112 20.069 -60.788 -0.043 1.00 0.00 C ATOM 683 O LYS A 112 20.416 -61.840 0.495 1.00 0.00 O ATOM 684 CB LYS A 112 20.968 -58.679 0.940 1.00 0.00 C ATOM 685 CG LYS A 112 21.534 -59.357 2.190 1.00 0.00 C ATOM 686 CD LYS A 112 21.281 -58.484 3.424 1.00 0.00 C ATOM 687 CE LYS A 112 22.198 -57.256 3.402 1.00 0.00 C ATOM 688 NZ LYS A 112 22.110 -56.551 4.710 1.00 0.00 N ATOM 0 H LYS A 112 20.397 -57.998 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 112 22.063 -60.054 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 112 21.526 -57.768 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 112 19.932 -58.385 1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 112 21.070 -60.334 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 112 22.604 -59.527 2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 112 20.238 -58.168 3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 112 21.458 -59.063 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 112 23.227 -57.560 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 112 21.906 -56.585 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 22.731 -55.717 4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 21.129 -56.249 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 22.408 -57.194 5.471 1.00 0.00 H new ATOM 702 N ALA A 113 18.828 -60.567 -0.468 1.00 0.00 N ATOM 703 CA ALA A 113 17.787 -61.577 -0.327 1.00 0.00 C ATOM 704 C ALA A 113 18.179 -62.853 -1.060 1.00 0.00 C ATOM 705 O ALA A 113 17.912 -63.957 -0.588 1.00 0.00 O ATOM 706 CB ALA A 113 16.461 -61.046 -0.887 1.00 0.00 C ATOM 0 H ALA A 113 18.521 -59.701 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 113 17.666 -61.803 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 113 15.689 -61.807 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 113 16.168 -60.150 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 113 16.583 -60.802 -1.942 1.00 0.00 H new ATOM 712 N ILE A 114 18.807 -62.700 -2.219 1.00 0.00 N ATOM 713 CA ILE A 114 19.218 -63.858 -3.000 1.00 0.00 C ATOM 714 C ILE A 114 20.210 -64.706 -2.206 1.00 0.00 C ATOM 715 O ILE A 114 20.075 -65.924 -2.131 1.00 0.00 O ATOM 716 CB ILE A 114 19.876 -63.390 -4.302 1.00 0.00 C ATOM 717 CG1 ILE A 114 18.824 -62.721 -5.194 1.00 0.00 C ATOM 718 CG2 ILE A 114 20.476 -64.591 -5.042 1.00 0.00 C ATOM 719 CD1 ILE A 114 19.514 -62.007 -6.361 1.00 0.00 C ATOM 0 H ILE A 114 19.040 -61.798 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 114 18.339 -64.460 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 114 20.667 -62.678 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 114 18.127 -63.468 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 114 18.241 -62.007 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 114 20.943 -64.252 -5.967 1.00 0.00 H new ATOM 0 HG22 ILE A 114 21.226 -65.069 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 114 19.687 -65.306 -5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 114 18.763 -61.533 -6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 114 20.193 -61.248 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 114 20.077 -62.732 -6.949 1.00 0.00 H new ATOM 731 N ALA A 115 21.202 -64.056 -1.606 1.00 0.00 N ATOM 732 CA ALA A 115 22.197 -64.777 -0.818 1.00 0.00 C ATOM 733 C ALA A 115 21.537 -65.461 0.376 1.00 0.00 C ATOM 734 O ALA A 115 21.846 -66.608 0.705 1.00 0.00 O ATOM 735 CB ALA A 115 23.272 -63.805 -0.328 1.00 0.00 C ATOM 0 H ALA A 115 21.338 -63.046 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 115 22.657 -65.539 -1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 115 24.012 -64.348 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 115 23.759 -63.339 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 115 22.811 -63.035 0.291 1.00 0.00 H new ATOM 741 N GLU A 116 20.615 -64.751 1.015 1.00 0.00 N ATOM 742 CA GLU A 116 19.905 -65.296 2.165 1.00 0.00 C ATOM 743 C GLU A 116 19.038 -66.475 1.744 1.00 0.00 C ATOM 744 O GLU A 116 18.907 -67.453 2.478 1.00 0.00 O ATOM 745 CB GLU A 116 19.034 -64.218 2.812 1.00 0.00 C ATOM 746 CG GLU A 116 19.931 -63.146 3.437 1.00 0.00 C ATOM 747 CD GLU A 116 20.659 -63.714 4.651 1.00 0.00 C ATOM 748 OE1 GLU A 116 20.181 -64.692 5.202 1.00 0.00 O ATOM 749 OE2 GLU A 116 21.688 -63.164 5.010 1.00 0.00 O ATOM 0 H GLU A 116 20.343 -63.802 0.758 1.00 0.00 H new ATOM 0 HA GLU A 116 20.641 -65.640 2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 116 18.378 -63.769 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 116 18.394 -64.662 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 116 20.654 -62.792 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 116 19.331 -62.286 3.733 1.00 0.00 H new ATOM 756 N SER A 117 18.448 -66.375 0.556 1.00 0.00 N ATOM 757 CA SER A 117 17.589 -67.437 0.050 1.00 0.00 C ATOM 758 C SER A 117 18.382 -68.731 -0.097 1.00 0.00 C ATOM 759 O SER A 117 17.890 -69.810 0.229 1.00 0.00 O ATOM 760 CB SER A 117 17.017 -67.029 -1.312 1.00 0.00 C ATOM 761 OG SER A 117 16.201 -68.080 -1.815 1.00 0.00 O ATOM 0 H SER A 117 18.549 -65.575 -0.069 1.00 0.00 H new ATOM 0 HA SER A 117 16.774 -67.599 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 117 16.432 -66.114 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 117 17.827 -66.816 -2.010 1.00 0.00 H new ATOM 0 HG SER A 117 15.833 -67.820 -2.685 1.00 0.00 H new ATOM 767 N LEU A 118 19.613 -68.614 -0.573 1.00 0.00 N ATOM 768 CA LEU A 118 20.467 -69.782 -0.741 1.00 0.00 C ATOM 769 C LEU A 118 20.862 -70.339 0.620 1.00 0.00 C ATOM 770 O LEU A 118 21.077 -71.541 0.772 1.00 0.00 O ATOM 771 CB LEU A 118 21.718 -69.401 -1.551 1.00 0.00 C ATOM 772 CG LEU A 118 21.483 -69.700 -3.044 1.00 0.00 C ATOM 773 CD1 LEU A 118 21.407 -71.231 -3.282 1.00 0.00 C ATOM 774 CD2 LEU A 118 20.173 -69.018 -3.505 1.00 0.00 C ATOM 0 H LEU A 118 20.041 -67.730 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 118 19.919 -70.552 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 118 21.944 -68.344 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 118 22.581 -69.961 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 118 22.317 -69.305 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 118 21.241 -71.427 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 118 22.343 -71.695 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 118 20.584 -71.649 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 118 20.005 -69.229 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 118 19.337 -69.403 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 118 20.252 -67.941 -3.358 1.00 0.00 H new ATOM 786 N ASN A 119 20.960 -69.459 1.605 1.00 0.00 N ATOM 787 CA ASN A 119 21.333 -69.875 2.952 1.00 0.00 C ATOM 788 C ASN A 119 20.090 -70.083 3.806 1.00 0.00 C ATOM 789 O ASN A 119 20.182 -70.285 5.016 1.00 0.00 O ATOM 790 CB ASN A 119 22.223 -68.812 3.591 1.00 0.00 C ATOM 791 CG ASN A 119 23.582 -68.789 2.899 1.00 0.00 C ATOM 792 OD1 ASN A 119 23.960 -69.757 2.239 1.00 0.00 O ATOM 793 ND2 ASN A 119 24.344 -67.737 3.014 1.00 0.00 N ATOM 0 H ASN A 119 20.788 -68.459 1.500 1.00 0.00 H new ATOM 0 HA ASN A 119 21.878 -70.817 2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 119 21.749 -67.834 3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 119 22.349 -69.022 4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 119 25.255 -67.715 2.557 1.00 0.00 H new ATOM 0 HD22 ASN A 119 24.029 -66.936 3.561 1.00 0.00 H new ATOM 800 N SER A 120 18.922 -70.035 3.164 1.00 0.00 N ATOM 801 CA SER A 120 17.656 -70.221 3.868 1.00 0.00 C ATOM 802 C SER A 120 17.282 -71.698 3.904 1.00 0.00 C ATOM 803 O SER A 120 16.223 -72.066 4.414 1.00 0.00 O ATOM 804 CB SER A 120 16.541 -69.436 3.176 1.00 0.00 C ATOM 805 OG SER A 120 16.256 -70.033 1.918 1.00 0.00 O ATOM 0 H SER A 120 18.828 -69.870 2.162 1.00 0.00 H new ATOM 0 HA SER A 120 17.777 -69.854 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 120 15.646 -69.428 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 120 16.843 -68.398 3.038 1.00 0.00 H new ATOM 0 HG SER A 120 17.055 -70.000 1.352 1.00 0.00 H new ATOM 811 N CYS A 121 18.150 -72.542 3.351 1.00 0.00 N ATOM 812 CA CYS A 121 17.888 -73.979 3.317 1.00 0.00 C ATOM 813 C CYS A 121 17.328 -74.447 4.652 1.00 0.00 C ATOM 814 O CYS A 121 17.922 -74.211 5.704 1.00 0.00 O ATOM 815 CB CYS A 121 19.182 -74.738 3.019 1.00 0.00 C ATOM 816 SG CYS A 121 19.755 -74.321 1.353 1.00 0.00 S ATOM 0 H CYS A 121 19.032 -72.260 2.924 1.00 0.00 H new ATOM 0 HA CYS A 121 17.158 -74.179 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 121 19.945 -74.480 3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 121 19.013 -75.812 3.099 1.00 0.00 H new ATOM 0 HG CYS A 121 20.262 -73.124 1.355 1.00 0.00 H new ATOM 822 N ARG A 122 16.176 -75.112 4.603 1.00 0.00 N ATOM 823 CA ARG A 122 15.543 -75.606 5.820 1.00 0.00 C ATOM 824 C ARG A 122 14.724 -76.860 5.514 1.00 0.00 C ATOM 825 O ARG A 122 13.495 -76.824 5.472 1.00 0.00 O ATOM 826 CB ARG A 122 14.645 -74.510 6.423 1.00 0.00 C ATOM 827 CG ARG A 122 14.495 -74.710 7.943 1.00 0.00 C ATOM 828 CD ARG A 122 13.636 -75.943 8.248 1.00 0.00 C ATOM 829 NE ARG A 122 14.418 -77.164 8.091 1.00 0.00 N ATOM 830 CZ ARG A 122 15.371 -77.490 8.953 1.00 0.00 C ATOM 831 NH1 ARG A 122 15.630 -76.706 9.961 1.00 0.00 N ATOM 832 NH2 ARG A 122 16.054 -78.590 8.787 1.00 0.00 N ATOM 0 H ARG A 122 15.668 -75.319 3.743 1.00 0.00 H new ATOM 0 HA ARG A 122 16.315 -75.865 6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 122 15.073 -73.528 6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 122 13.664 -74.534 5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 122 15.479 -74.825 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.040 -73.825 8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 122 13.249 -75.881 9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.775 -75.968 7.580 1.00 0.00 H new ATOM 0 HE ARG A 122 14.228 -77.780 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 122 15.100 -75.843 10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 122 16.363 -76.955 10.625 1.00 0.00 H new ATOM 0 HH21 ARG A 122 15.855 -79.199 7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 122 16.787 -78.840 9.451 1.00 0.00 H new ATOM 846 N PRO A 123 15.387 -77.963 5.310 1.00 0.00 N ATOM 847 CA PRO A 123 14.715 -79.265 5.012 1.00 0.00 C ATOM 848 C PRO A 123 13.743 -79.674 6.120 1.00 0.00 C ATOM 849 O PRO A 123 14.014 -79.470 7.304 1.00 0.00 O ATOM 850 CB PRO A 123 15.887 -80.259 4.906 1.00 0.00 C ATOM 851 CG PRO A 123 17.083 -79.415 4.599 1.00 0.00 C ATOM 852 CD PRO A 123 16.851 -78.098 5.331 1.00 0.00 C ATOM 0 HA PRO A 123 14.107 -79.221 4.108 1.00 0.00 H new ATOM 0 HB2 PRO A 123 16.022 -80.811 5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 123 15.711 -80.995 4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 123 18.000 -79.896 4.938 1.00 0.00 H new ATOM 0 HG3 PRO A 123 17.185 -79.255 3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 123 17.239 -78.128 6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 123 17.341 -77.264 4.828 1.00 0.00 H new ATOM 860 N SER A 124 12.616 -80.257 5.727 1.00 0.00 N ATOM 861 CA SER A 124 11.618 -80.696 6.695 1.00 0.00 C ATOM 862 C SER A 124 12.158 -81.858 7.525 1.00 0.00 C ATOM 863 O SER A 124 12.898 -82.702 7.018 1.00 0.00 O ATOM 864 CB SER A 124 10.346 -81.131 5.968 1.00 0.00 C ATOM 865 OG SER A 124 9.408 -81.619 6.918 1.00 0.00 O ATOM 0 H SER A 124 12.372 -80.436 4.753 1.00 0.00 H new ATOM 0 HA SER A 124 11.388 -79.864 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 124 9.921 -80.291 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 124 10.578 -81.906 5.237 1.00 0.00 H new ATOM 0 HG SER A 124 8.590 -81.898 6.456 1.00 0.00 H new ATOM 871 N ASP A 125 11.786 -81.894 8.799 1.00 0.00 N ATOM 872 CA ASP A 125 12.243 -82.958 9.686 1.00 0.00 C ATOM 873 C ASP A 125 11.711 -84.308 9.219 1.00 0.00 C ATOM 874 O ASP A 125 10.538 -84.436 8.867 1.00 0.00 O ATOM 875 CB ASP A 125 11.761 -82.686 11.112 1.00 0.00 C ATOM 876 CG ASP A 125 12.525 -81.507 11.704 1.00 0.00 C ATOM 877 OD1 ASP A 125 13.523 -81.120 11.118 1.00 0.00 O ATOM 878 OD2 ASP A 125 12.100 -81.007 12.732 1.00 0.00 O ATOM 0 H ASP A 125 11.175 -81.206 9.238 1.00 0.00 H new ATOM 0 HA ASP A 125 13.333 -82.982 9.666 1.00 0.00 H new ATOM 0 HB2 ASP A 125 10.692 -82.473 11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 125 11.908 -83.572 11.730 1.00 0.00 H new ATOM 883 N ALA A 126 12.578 -85.316 9.219 1.00 0.00 N ATOM 884 CA ALA A 126 12.177 -86.653 8.797 1.00 0.00 C ATOM 885 C ALA A 126 11.154 -87.242 9.763 1.00 0.00 C ATOM 886 O ALA A 126 10.241 -87.959 9.356 1.00 0.00 O ATOM 887 CB ALA A 126 13.399 -87.568 8.729 1.00 0.00 C ATOM 0 H ALA A 126 13.554 -85.234 9.504 1.00 0.00 H new ATOM 0 HA ALA A 126 11.723 -86.576 7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 126 13.090 -88.564 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.115 -87.166 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.864 -87.627 9.713 1.00 0.00 H new ATOM 893 N SER A 127 11.315 -86.933 11.047 1.00 0.00 N ATOM 894 CA SER A 127 10.403 -87.437 12.066 1.00 0.00 C ATOM 895 C SER A 127 9.072 -86.697 12.014 1.00 0.00 C ATOM 896 O SER A 127 8.064 -87.178 12.530 1.00 0.00 O ATOM 897 CB SER A 127 11.025 -87.273 13.452 1.00 0.00 C ATOM 898 OG SER A 127 11.077 -85.890 13.782 1.00 0.00 O ATOM 0 H SER A 127 12.064 -86.340 11.404 1.00 0.00 H new ATOM 0 HA SER A 127 10.224 -88.494 11.870 1.00 0.00 H new ATOM 0 HB2 SER A 127 10.437 -87.814 14.194 1.00 0.00 H new ATOM 0 HB3 SER A 127 12.028 -87.700 13.466 1.00 0.00 H new ATOM 0 HG SER A 127 11.474 -85.781 14.671 1.00 0.00 H new ATOM 904 N ALA A 128 9.077 -85.523 11.390 1.00 0.00 N ATOM 905 CA ALA A 128 7.864 -84.718 11.274 1.00 0.00 C ATOM 906 C ALA A 128 7.582 -83.988 12.586 1.00 0.00 C ATOM 907 O ALA A 128 6.503 -83.426 12.776 1.00 0.00 O ATOM 908 CB ALA A 128 6.666 -85.613 10.904 1.00 0.00 C ATOM 0 H ALA A 128 9.903 -85.109 10.958 1.00 0.00 H new ATOM 0 HA ALA A 128 8.013 -83.980 10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.767 -85.002 10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.860 -86.105 9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.522 -86.366 11.679 1.00 0.00 H new ATOM 914 N THR A 129 8.558 -84.007 13.489 1.00 0.00 N ATOM 915 CA THR A 129 8.411 -83.351 14.787 1.00 0.00 C ATOM 916 C THR A 129 8.936 -81.923 14.733 1.00 0.00 C ATOM 917 O THR A 129 10.024 -81.669 14.216 1.00 0.00 O ATOM 918 CB THR A 129 9.169 -84.136 15.858 1.00 0.00 C ATOM 919 OG1 THR A 129 8.615 -85.440 15.968 1.00 0.00 O ATOM 920 CG2 THR A 129 9.049 -83.411 17.200 1.00 0.00 C ATOM 0 H THR A 129 9.457 -84.468 13.348 1.00 0.00 H new ATOM 0 HA THR A 129 7.351 -83.324 15.038 1.00 0.00 H new ATOM 0 HB THR A 129 10.220 -84.212 15.581 1.00 0.00 H new ATOM 0 HG1 THR A 129 9.101 -85.945 16.653 1.00 0.00 H new ATOM 0 HG21 THR A 129 9.589 -83.969 17.965 1.00 0.00 H new ATOM 0 HG22 THR A 129 9.474 -82.411 17.113 1.00 0.00 H new ATOM 0 HG23 THR A 129 7.998 -83.335 17.480 1.00 0.00 H new ATOM 928 N ARG A 130 8.152 -80.993 15.264 1.00 0.00 N ATOM 929 CA ARG A 130 8.540 -79.589 15.266 1.00 0.00 C ATOM 930 C ARG A 130 9.601 -79.325 16.327 1.00 0.00 C ATOM 931 O ARG A 130 9.538 -79.864 17.433 1.00 0.00 O ATOM 932 CB ARG A 130 7.312 -78.717 15.542 1.00 0.00 C ATOM 933 CG ARG A 130 6.249 -78.926 14.450 1.00 0.00 C ATOM 934 CD ARG A 130 6.569 -78.066 13.224 1.00 0.00 C ATOM 935 NE ARG A 130 6.545 -76.656 13.592 1.00 0.00 N ATOM 936 CZ ARG A 130 6.910 -75.715 12.730 1.00 0.00 C ATOM 937 NH1 ARG A 130 7.300 -76.048 11.532 1.00 0.00 N ATOM 938 NH2 ARG A 130 6.880 -74.459 13.082 1.00 0.00 N ATOM 0 H ARG A 130 7.248 -81.184 15.697 1.00 0.00 H new ATOM 0 HA ARG A 130 8.955 -79.342 14.289 1.00 0.00 H new ATOM 0 HB2 ARG A 130 6.894 -78.965 16.518 1.00 0.00 H new ATOM 0 HB3 ARG A 130 7.604 -77.667 15.578 1.00 0.00 H new ATOM 0 HG2 ARG A 130 6.212 -79.978 14.165 1.00 0.00 H new ATOM 0 HG3 ARG A 130 5.264 -78.666 14.838 1.00 0.00 H new ATOM 0 HD2 ARG A 130 7.549 -78.331 12.828 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.843 -78.258 12.434 1.00 0.00 H new ATOM 0 HE ARG A 130 6.242 -76.388 14.528 1.00 0.00 H new ATOM 0 HH11 ARG A 130 7.324 -77.030 11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 130 7.581 -75.326 10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 130 6.576 -74.199 14.020 1.00 0.00 H new ATOM 0 HH22 ARG A 130 7.161 -73.737 12.419 1.00 0.00 H new ATOM 952 N SER A 131 10.576 -78.493 15.979 1.00 0.00 N ATOM 953 CA SER A 131 11.650 -78.163 16.906 1.00 0.00 C ATOM 954 C SER A 131 11.079 -77.646 18.223 1.00 0.00 C ATOM 955 O SER A 131 10.744 -76.474 18.281 1.00 0.00 O ATOM 956 CB SER A 131 12.564 -77.103 16.292 1.00 0.00 C ATOM 957 OG SER A 131 12.811 -77.427 14.930 1.00 0.00 O ATOM 958 OXT SER A 131 10.984 -78.430 19.152 1.00 0.00 O ATOM 0 H SER A 131 10.644 -78.038 15.069 1.00 0.00 H new ATOM 0 HA SER A 131 12.226 -79.067 17.102 1.00 0.00 H new ATOM 0 HB2 SER A 131 12.100 -76.120 16.365 1.00 0.00 H new ATOM 0 HB3 SER A 131 13.504 -77.054 16.842 1.00 0.00 H new ATOM 0 HG SER A 131 13.396 -76.748 14.533 1.00 0.00 H new TER 964 SER A 131