USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 689 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 58 SER OG : rot -163:sc= -0.266 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -3.81! C(o=-3.2!,f=-2.5!) USER MOD Set 1.3: A 65 TYR OH : rot 50:sc= 0.874 USER MOD Set 2.1: A 37 THR OG1 : rot 32:sc= 0.115! USER MOD Set 2.2: A 41 ASN : amide:sc= -2.56! C(o=-2.4!,f=-12!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.1!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.715 X(o=-0.72,f=-0.72) USER MOD Single : A 24 SER OG : rot -77:sc= 0.906 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -156:sc= -0.0701 (180deg=-1.23) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -133:sc= -0.258 (180deg=-1.34) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -11:sc= 0.868 USER MOD Single : A 45 ASN : amide:sc=-0.00598 K(o=-0.006,f=-0.67) USER MOD Single : A 47 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.4!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 10:sc= 0.895 USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= -0.213 (180deg=-1.2!) USER MOD Single : A 74 ASN : amide:sc= -0.0095 X(o=-0.0095,f=-0.3) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc=-0.00765 (180deg=-0.238) USER MOD Single : A 81 SER OG : rot 17:sc= 0.415 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.7) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.543 K(o=-0.54,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 7 -18.609 2.837 -15.594 1.00 1.00 N ATOM 88 CA ARG A 7 -17.165 3.098 -15.567 1.00 1.00 C ATOM 89 C ARG A 7 -16.555 2.714 -14.221 1.00 1.00 C ATOM 90 O ARG A 7 -17.177 2.817 -13.165 1.00 1.00 O ATOM 91 CB ARG A 7 -16.897 4.582 -15.854 1.00 1.00 C ATOM 92 CG ARG A 7 -17.270 4.915 -17.305 1.00 1.00 C ATOM 93 CD ARG A 7 -17.001 6.397 -17.579 1.00 1.00 C ATOM 94 NE ARG A 7 -17.942 7.216 -16.827 1.00 1.00 N ATOM 95 CZ ARG A 7 -17.907 8.543 -16.894 1.00 1.00 C ATOM 96 NH1 ARG A 7 -17.007 9.141 -17.632 1.00 1.00 N ATOM 97 NH2 ARG A 7 -18.765 9.251 -16.212 1.00 1.00 N ATOM 0 HA ARG A 7 -16.698 2.485 -16.338 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -17.476 5.203 -15.170 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -15.846 4.810 -15.679 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -16.690 4.297 -17.991 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -18.321 4.687 -17.482 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -15.979 6.649 -17.297 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -17.097 6.603 -18.645 1.00 1.00 H new ATOM 0 HE ARG A 7 -18.641 6.763 -16.238 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -16.330 8.589 -18.158 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -16.983 10.160 -17.681 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -19.461 8.786 -15.629 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -18.740 10.269 -16.262 1.00 1.00 H new ATOM 111 N ASP A 8 -15.310 2.250 -14.259 1.00 1.00 N ATOM 112 CA ASP A 8 -14.611 1.837 -13.035 1.00 1.00 C ATOM 113 C ASP A 8 -13.082 1.997 -13.175 1.00 1.00 C ATOM 114 O ASP A 8 -12.379 1.048 -13.522 1.00 1.00 O ATOM 115 CB ASP A 8 -14.956 0.374 -12.750 1.00 1.00 C ATOM 116 CG ASP A 8 -16.454 0.244 -12.471 1.00 1.00 C ATOM 117 OD1 ASP A 8 -17.203 0.091 -13.421 1.00 1.00 O ATOM 118 OD2 ASP A 8 -16.830 0.316 -11.311 1.00 1.00 O ATOM 0 H ASP A 8 -14.763 2.149 -15.114 1.00 1.00 H new ATOM 0 HA ASP A 8 -14.934 2.475 -12.212 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -14.679 -0.248 -13.601 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -14.384 0.015 -11.894 1.00 1.00 H new ATOM 123 N PRO A 9 -12.536 3.150 -12.901 1.00 1.00 N ATOM 124 CA PRO A 9 -11.054 3.377 -13.000 1.00 1.00 C ATOM 125 C PRO A 9 -10.229 2.362 -12.189 1.00 1.00 C ATOM 126 O PRO A 9 -10.349 2.274 -10.967 1.00 1.00 O ATOM 127 CB PRO A 9 -10.861 4.809 -12.442 1.00 1.00 C ATOM 128 CG PRO A 9 -12.194 5.484 -12.616 1.00 1.00 C ATOM 129 CD PRO A 9 -13.248 4.375 -12.479 1.00 1.00 C ATOM 0 HA PRO A 9 -10.704 3.255 -14.025 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -10.565 4.786 -11.393 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -10.077 5.340 -12.983 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -12.341 6.258 -11.863 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -12.262 5.969 -13.590 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -13.610 4.293 -11.454 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -14.116 4.569 -13.109 1.00 1.00 H new ATOM 137 N THR A 10 -9.371 1.611 -12.870 1.00 1.00 N ATOM 138 CA THR A 10 -8.495 0.616 -12.208 1.00 1.00 C ATOM 139 C THR A 10 -7.024 0.980 -12.397 1.00 1.00 C ATOM 140 O THR A 10 -6.369 0.528 -13.335 1.00 1.00 O ATOM 141 CB THR A 10 -8.752 -0.771 -12.797 1.00 1.00 C ATOM 142 OG1 THR A 10 -10.138 -1.062 -12.698 1.00 1.00 O ATOM 143 CG2 THR A 10 -7.948 -1.821 -12.022 1.00 1.00 C ATOM 0 H THR A 10 -9.254 1.663 -13.882 1.00 1.00 H new ATOM 0 HA THR A 10 -8.722 0.613 -11.142 1.00 1.00 H new ATOM 0 HB THR A 10 -8.443 -0.790 -13.842 1.00 1.00 H new ATOM 0 HG1 THR A 10 -10.314 -1.949 -13.075 1.00 1.00 H new ATOM 0 HG21 THR A 10 -8.135 -2.808 -12.446 1.00 1.00 H new ATOM 0 HG22 THR A 10 -6.885 -1.591 -12.093 1.00 1.00 H new ATOM 0 HG23 THR A 10 -8.252 -1.812 -10.975 1.00 1.00 H new ATOM 151 N LEU A 11 -6.501 1.809 -11.499 1.00 1.00 N ATOM 152 CA LEU A 11 -5.104 2.249 -11.569 1.00 1.00 C ATOM 153 C LEU A 11 -4.239 1.430 -10.632 1.00 1.00 C ATOM 154 O LEU A 11 -4.669 0.979 -9.571 1.00 1.00 O ATOM 155 CB LEU A 11 -5.000 3.744 -11.217 1.00 1.00 C ATOM 156 CG LEU A 11 -6.014 4.582 -12.057 1.00 1.00 C ATOM 157 CD1 LEU A 11 -5.872 4.262 -13.566 1.00 1.00 C ATOM 158 CD2 LEU A 11 -7.485 4.344 -11.593 1.00 1.00 C ATOM 0 H LEU A 11 -7.022 2.193 -10.711 1.00 1.00 H new ATOM 0 HA LEU A 11 -4.746 2.100 -12.588 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -5.196 3.887 -10.154 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -3.986 4.097 -11.405 1.00 1.00 H new ATOM 0 HG LEU A 11 -5.778 5.634 -11.894 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -6.588 4.857 -14.133 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -4.861 4.501 -13.895 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -6.067 3.203 -13.733 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -8.160 4.945 -12.202 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -7.736 3.289 -11.706 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -7.587 4.631 -10.547 1.00 1.00 H new ATOM 170 N THR A 12 -2.990 1.218 -11.038 1.00 1.00 N ATOM 171 CA THR A 12 -2.041 0.434 -10.248 1.00 1.00 C ATOM 172 C THR A 12 -1.004 1.349 -9.604 1.00 1.00 C ATOM 173 O THR A 12 -0.312 2.115 -10.274 1.00 1.00 O ATOM 174 CB THR A 12 -1.340 -0.580 -11.155 1.00 1.00 C ATOM 175 OG1 THR A 12 -2.320 -1.361 -11.827 1.00 1.00 O ATOM 176 CG2 THR A 12 -0.442 -1.498 -10.318 1.00 1.00 C ATOM 0 H THR A 12 -2.609 1.579 -11.913 1.00 1.00 H new ATOM 0 HA THR A 12 -2.583 -0.090 -9.461 1.00 1.00 H new ATOM 0 HB THR A 12 -0.726 -0.049 -11.883 1.00 1.00 H new ATOM 0 HG1 THR A 12 -1.876 -2.011 -12.411 1.00 1.00 H new ATOM 0 HG21 THR A 12 0.053 -2.217 -10.971 1.00 1.00 H new ATOM 0 HG22 THR A 12 0.309 -0.900 -9.801 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.048 -2.031 -9.586 1.00 1.00 H new ATOM 184 N LEU A 13 -0.906 1.248 -8.283 1.00 1.00 N ATOM 185 CA LEU A 13 0.046 2.059 -7.514 1.00 1.00 C ATOM 186 C LEU A 13 1.122 1.169 -6.907 1.00 1.00 C ATOM 187 O LEU A 13 0.822 0.161 -6.267 1.00 1.00 O ATOM 188 CB LEU A 13 -0.696 2.802 -6.394 1.00 1.00 C ATOM 189 CG LEU A 13 -1.892 3.597 -6.961 1.00 1.00 C ATOM 190 CD1 LEU A 13 -2.604 4.324 -5.808 1.00 1.00 C ATOM 191 CD2 LEU A 13 -1.422 4.629 -8.010 1.00 1.00 C ATOM 0 H LEU A 13 -1.471 0.615 -7.718 1.00 1.00 H new ATOM 0 HA LEU A 13 0.516 2.781 -8.182 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -1.048 2.088 -5.650 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -0.011 3.481 -5.886 1.00 1.00 H new ATOM 0 HG LEU A 13 -2.576 2.902 -7.447 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.450 4.888 -6.201 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -2.961 3.593 -5.082 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -1.907 5.007 -5.323 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -2.283 5.176 -8.394 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -0.726 5.328 -7.546 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -0.925 4.113 -8.831 1.00 1.00 H new ATOM 203 N SER A 14 2.384 1.547 -7.091 1.00 1.00 N ATOM 204 CA SER A 14 3.488 0.777 -6.546 1.00 1.00 C ATOM 205 C SER A 14 3.495 0.895 -5.032 1.00 1.00 C ATOM 206 O SER A 14 2.898 1.808 -4.463 1.00 1.00 O ATOM 207 CB SER A 14 4.811 1.289 -7.109 1.00 1.00 C ATOM 208 OG SER A 14 4.828 1.100 -8.516 1.00 1.00 O ATOM 0 H SER A 14 2.663 2.379 -7.612 1.00 1.00 H new ATOM 0 HA SER A 14 3.365 -0.269 -6.826 1.00 1.00 H new ATOM 0 HB2 SER A 14 4.936 2.345 -6.871 1.00 1.00 H new ATOM 0 HB3 SER A 14 5.645 0.758 -6.649 1.00 1.00 H new ATOM 0 HG SER A 14 5.676 1.430 -8.880 1.00 1.00 H new ATOM 214 N LEU A 15 4.176 -0.034 -4.368 1.00 1.00 N ATOM 215 CA LEU A 15 4.266 -0.037 -2.896 1.00 1.00 C ATOM 216 C LEU A 15 5.699 0.237 -2.432 1.00 1.00 C ATOM 217 O LEU A 15 6.618 -0.535 -2.698 1.00 1.00 O ATOM 218 CB LEU A 15 3.801 -1.399 -2.356 1.00 1.00 C ATOM 219 CG LEU A 15 3.838 -1.431 -0.809 1.00 1.00 C ATOM 220 CD1 LEU A 15 2.923 -0.347 -0.197 1.00 1.00 C ATOM 221 CD2 LEU A 15 3.393 -2.825 -0.339 1.00 1.00 C ATOM 0 H LEU A 15 4.677 -0.799 -4.819 1.00 1.00 H new ATOM 0 HA LEU A 15 3.623 0.754 -2.510 1.00 1.00 H new ATOM 0 HB2 LEU A 15 2.788 -1.604 -2.702 1.00 1.00 H new ATOM 0 HB3 LEU A 15 4.439 -2.188 -2.754 1.00 1.00 H new ATOM 0 HG LEU A 15 4.855 -1.224 -0.475 1.00 1.00 H new ATOM 0 HD11 LEU A 15 2.974 -0.399 0.891 1.00 1.00 H new ATOM 0 HD12 LEU A 15 3.253 0.637 -0.529 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.895 -0.513 -0.520 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.413 -2.865 0.750 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.380 -3.021 -0.691 1.00 1.00 H new ATOM 0 HD23 LEU A 15 4.070 -3.578 -0.743 1.00 1.00 H new ATOM 233 N ILE A 16 5.883 1.349 -1.725 1.00 1.00 N ATOM 234 CA ILE A 16 7.209 1.735 -1.201 1.00 1.00 C ATOM 235 C ILE A 16 7.184 1.816 0.330 1.00 1.00 C ATOM 236 O ILE A 16 6.225 2.291 0.941 1.00 1.00 O ATOM 237 CB ILE A 16 7.639 3.087 -1.803 1.00 1.00 C ATOM 238 CG1 ILE A 16 6.530 4.136 -1.600 1.00 1.00 C ATOM 239 CG2 ILE A 16 7.898 2.910 -3.309 1.00 1.00 C ATOM 240 CD1 ILE A 16 7.038 5.516 -2.038 1.00 1.00 C ATOM 0 H ILE A 16 5.136 2.005 -1.497 1.00 1.00 H new ATOM 0 HA ILE A 16 7.933 0.973 -1.489 1.00 1.00 H new ATOM 0 HB ILE A 16 8.547 3.427 -1.304 1.00 1.00 H new ATOM 0 HG12 ILE A 16 5.647 3.863 -2.178 1.00 1.00 H new ATOM 0 HG13 ILE A 16 6.230 4.164 -0.553 1.00 1.00 H new ATOM 0 HG21 ILE A 16 8.203 3.864 -3.740 1.00 1.00 H new ATOM 0 HG22 ILE A 16 8.689 2.175 -3.458 1.00 1.00 H new ATOM 0 HG23 ILE A 16 6.986 2.566 -3.797 1.00 1.00 H new ATOM 0 HD11 ILE A 16 6.251 6.256 -1.893 1.00 1.00 H new ATOM 0 HD12 ILE A 16 7.908 5.790 -1.441 1.00 1.00 H new ATOM 0 HD13 ILE A 16 7.316 5.484 -3.091 1.00 1.00 H new ATOM 252 N ALA A 17 8.258 1.355 0.960 1.00 1.00 N ATOM 253 CA ALA A 17 8.367 1.366 2.423 1.00 1.00 C ATOM 254 C ALA A 17 8.648 2.778 2.939 1.00 1.00 C ATOM 255 O ALA A 17 9.674 3.379 2.625 1.00 1.00 O ATOM 256 CB ALA A 17 9.499 0.438 2.858 1.00 1.00 C ATOM 0 H ALA A 17 9.071 0.966 0.483 1.00 1.00 H new ATOM 0 HA ALA A 17 7.420 1.023 2.840 1.00 1.00 H new ATOM 0 HB1 ALA A 17 9.579 0.447 3.945 1.00 1.00 H new ATOM 0 HB2 ALA A 17 9.289 -0.576 2.518 1.00 1.00 H new ATOM 0 HB3 ALA A 17 10.438 0.780 2.422 1.00 1.00 H new ATOM 262 N LYS A 18 7.726 3.307 3.737 1.00 1.00 N ATOM 263 CA LYS A 18 7.875 4.664 4.304 1.00 1.00 C ATOM 264 C LYS A 18 8.058 4.590 5.815 1.00 1.00 C ATOM 265 O LYS A 18 7.702 3.595 6.446 1.00 1.00 O ATOM 266 CB LYS A 18 6.629 5.514 3.962 1.00 1.00 C ATOM 267 CG LYS A 18 6.976 7.034 3.955 1.00 1.00 C ATOM 268 CD LYS A 18 7.505 7.449 2.575 1.00 1.00 C ATOM 269 CE LYS A 18 7.914 8.919 2.599 1.00 1.00 C ATOM 270 NZ LYS A 18 8.435 9.297 1.258 1.00 1.00 N ATOM 0 H LYS A 18 6.868 2.828 4.011 1.00 1.00 H new ATOM 0 HA LYS A 18 8.758 5.132 3.869 1.00 1.00 H new ATOM 0 HB2 LYS A 18 6.241 5.221 2.986 1.00 1.00 H new ATOM 0 HB3 LYS A 18 5.841 5.320 4.690 1.00 1.00 H new ATOM 0 HG2 LYS A 18 6.090 7.618 4.204 1.00 1.00 H new ATOM 0 HG3 LYS A 18 7.724 7.248 4.719 1.00 1.00 H new ATOM 0 HD2 LYS A 18 8.359 6.829 2.301 1.00 1.00 H new ATOM 0 HD3 LYS A 18 6.738 7.288 1.818 1.00 1.00 H new ATOM 0 HE2 LYS A 18 7.060 9.543 2.861 1.00 1.00 H new ATOM 0 HE3 LYS A 18 8.676 9.086 3.360 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 8.717 10.298 1.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 9.260 8.707 1.027 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 7.694 9.151 0.544 1.00 1.00 H new ATOM 284 N ASN A 19 8.615 5.643 6.402 1.00 1.00 N ATOM 285 CA ASN A 19 8.846 5.699 7.837 1.00 1.00 C ATOM 286 C ASN A 19 9.632 4.469 8.287 1.00 1.00 C ATOM 287 O ASN A 19 9.471 3.994 9.411 1.00 1.00 O ATOM 288 CB ASN A 19 7.493 5.773 8.564 1.00 1.00 C ATOM 289 CG ASN A 19 7.683 6.180 10.023 1.00 1.00 C ATOM 290 OD1 ASN A 19 8.815 6.347 10.480 1.00 1.00 O ATOM 291 ND2 ASN A 19 6.636 6.359 10.783 1.00 1.00 N ATOM 0 H ASN A 19 8.917 6.477 5.898 1.00 1.00 H new ATOM 0 HA ASN A 19 9.430 6.586 8.081 1.00 1.00 H new ATOM 0 HB2 ASN A 19 6.845 6.492 8.063 1.00 1.00 H new ATOM 0 HB3 ASN A 19 6.995 4.805 8.514 1.00 1.00 H new ATOM 0 HD21 ASN A 19 6.754 6.638 11.757 1.00 1.00 H new ATOM 0 HD22 ASN A 19 5.700 6.220 10.402 1.00 1.00 H new ATOM 298 N THR A 20 10.483 3.954 7.405 1.00 1.00 N ATOM 299 CA THR A 20 11.265 2.765 7.708 1.00 1.00 C ATOM 300 C THR A 20 12.334 3.044 8.790 1.00 1.00 C ATOM 301 O THR A 20 13.097 3.998 8.644 1.00 1.00 O ATOM 302 CB THR A 20 11.950 2.260 6.428 1.00 1.00 C ATOM 303 OG1 THR A 20 10.985 2.169 5.391 1.00 1.00 O ATOM 304 CG2 THR A 20 12.559 0.871 6.672 1.00 1.00 C ATOM 0 H THR A 20 10.647 4.342 6.476 1.00 1.00 H new ATOM 0 HA THR A 20 10.585 2.006 8.095 1.00 1.00 H new ATOM 0 HB THR A 20 12.741 2.954 6.145 1.00 1.00 H new ATOM 0 HG1 THR A 20 11.415 1.849 4.571 1.00 1.00 H new ATOM 0 HG21 THR A 20 13.042 0.520 5.760 1.00 1.00 H new ATOM 0 HG22 THR A 20 13.296 0.932 7.473 1.00 1.00 H new ATOM 0 HG23 THR A 20 11.771 0.173 6.956 1.00 1.00 H new ATOM 312 N PRO A 21 12.425 2.251 9.823 1.00 1.00 N ATOM 313 CA PRO A 21 13.459 2.472 10.883 1.00 1.00 C ATOM 314 C PRO A 21 14.860 2.121 10.379 1.00 1.00 C ATOM 315 O PRO A 21 15.144 0.970 10.049 1.00 1.00 O ATOM 316 CB PRO A 21 13.020 1.534 12.035 1.00 1.00 C ATOM 317 CG PRO A 21 12.230 0.440 11.368 1.00 1.00 C ATOM 318 CD PRO A 21 11.585 1.068 10.120 1.00 1.00 C ATOM 0 HA PRO A 21 13.521 3.515 11.195 1.00 1.00 H new ATOM 0 HB2 PRO A 21 13.882 1.131 12.566 1.00 1.00 H new ATOM 0 HB3 PRO A 21 12.415 2.067 12.769 1.00 1.00 H new ATOM 0 HG2 PRO A 21 12.876 -0.393 11.093 1.00 1.00 H new ATOM 0 HG3 PRO A 21 11.469 0.045 12.041 1.00 1.00 H new ATOM 0 HD2 PRO A 21 11.575 0.369 9.284 1.00 1.00 H new ATOM 0 HD3 PRO A 21 10.550 1.354 10.309 1.00 1.00 H new ATOM 326 N ALA A 22 15.750 3.106 10.331 1.00 1.00 N ATOM 327 CA ALA A 22 17.130 2.905 9.869 1.00 1.00 C ATOM 328 C ALA A 22 17.730 1.616 10.431 1.00 1.00 C ATOM 329 O ALA A 22 17.282 1.078 11.444 1.00 1.00 O ATOM 330 CB ALA A 22 17.996 4.090 10.299 1.00 1.00 C ATOM 0 H ALA A 22 15.542 4.065 10.609 1.00 1.00 H new ATOM 0 HA ALA A 22 17.108 2.828 8.782 1.00 1.00 H new ATOM 0 HB1 ALA A 22 19.019 3.937 9.954 1.00 1.00 H new ATOM 0 HB2 ALA A 22 17.600 5.007 9.864 1.00 1.00 H new ATOM 0 HB3 ALA A 22 17.988 4.171 11.386 1.00 1.00 H new ATOM 336 N ASN A 23 18.756 1.106 9.757 1.00 1.00 N ATOM 337 CA ASN A 23 19.435 -0.129 10.181 1.00 1.00 C ATOM 338 C ASN A 23 18.567 -1.353 9.901 1.00 1.00 C ATOM 339 O ASN A 23 18.876 -2.462 10.337 1.00 1.00 O ATOM 340 CB ASN A 23 19.789 -0.082 11.689 1.00 1.00 C ATOM 341 CG ASN A 23 20.255 1.317 12.066 1.00 1.00 C ATOM 342 OD1 ASN A 23 19.728 1.918 13.003 1.00 1.00 O ATOM 343 ND2 ASN A 23 21.219 1.874 11.389 1.00 1.00 N ATOM 0 H ASN A 23 19.142 1.525 8.911 1.00 1.00 H new ATOM 0 HA ASN A 23 20.357 -0.207 9.604 1.00 1.00 H new ATOM 0 HB2 ASN A 23 18.919 -0.358 12.285 1.00 1.00 H new ATOM 0 HB3 ASN A 23 20.571 -0.808 11.911 1.00 1.00 H new ATOM 0 HD21 ASN A 23 21.539 2.811 11.634 1.00 1.00 H new ATOM 0 HD22 ASN A 23 21.653 1.373 10.614 1.00 1.00 H new ATOM 350 N SER A 24 17.477 -1.159 9.167 1.00 1.00 N ATOM 351 CA SER A 24 16.555 -2.259 8.826 1.00 1.00 C ATOM 352 C SER A 24 16.598 -2.554 7.333 1.00 1.00 C ATOM 353 O SER A 24 16.767 -1.663 6.502 1.00 1.00 O ATOM 354 CB SER A 24 15.129 -1.884 9.220 1.00 1.00 C ATOM 355 OG SER A 24 14.694 -0.795 8.424 1.00 1.00 O ATOM 0 H SER A 24 17.202 -0.251 8.792 1.00 1.00 H new ATOM 0 HA SER A 24 16.868 -3.148 9.374 1.00 1.00 H new ATOM 0 HB2 SER A 24 14.465 -2.738 9.083 1.00 1.00 H new ATOM 0 HB3 SER A 24 15.090 -1.616 10.276 1.00 1.00 H new ATOM 0 HG SER A 24 15.093 0.035 8.759 1.00 1.00 H new ATOM 361 N MET A 25 16.450 -3.829 6.993 1.00 1.00 N ATOM 362 CA MET A 25 16.475 -4.260 5.586 1.00 1.00 C ATOM 363 C MET A 25 15.409 -5.319 5.340 1.00 1.00 C ATOM 364 O MET A 25 15.401 -6.379 5.967 1.00 1.00 O ATOM 365 CB MET A 25 17.867 -4.814 5.235 1.00 1.00 C ATOM 366 CG MET A 25 17.900 -5.324 3.771 1.00 1.00 C ATOM 367 SD MET A 25 17.328 -7.046 3.698 1.00 1.00 S ATOM 368 CE MET A 25 18.926 -7.843 4.004 1.00 1.00 C ATOM 0 H MET A 25 16.312 -4.585 7.663 1.00 1.00 H new ATOM 0 HA MET A 25 16.264 -3.401 4.948 1.00 1.00 H new ATOM 0 HB2 MET A 25 18.619 -4.036 5.372 1.00 1.00 H new ATOM 0 HB3 MET A 25 18.122 -5.627 5.915 1.00 1.00 H new ATOM 0 HG2 MET A 25 17.267 -4.695 3.144 1.00 1.00 H new ATOM 0 HG3 MET A 25 18.913 -5.252 3.375 1.00 1.00 H new ATOM 0 HE1 MET A 25 18.799 -8.926 4.001 1.00 1.00 H new ATOM 0 HE2 MET A 25 19.630 -7.558 3.223 1.00 1.00 H new ATOM 0 HE3 MET A 25 19.311 -7.526 4.973 1.00 1.00 H new ATOM 378 N ILE A 26 14.496 -5.030 4.419 1.00 1.00 N ATOM 379 CA ILE A 26 13.413 -5.947 4.085 1.00 1.00 C ATOM 380 C ILE A 26 13.929 -7.127 3.269 1.00 1.00 C ATOM 381 O ILE A 26 14.834 -7.001 2.444 1.00 1.00 O ATOM 382 CB ILE A 26 12.316 -5.216 3.290 1.00 1.00 C ATOM 383 CG1 ILE A 26 11.875 -3.954 4.058 1.00 1.00 C ATOM 384 CG2 ILE A 26 11.109 -6.156 3.103 1.00 1.00 C ATOM 385 CD1 ILE A 26 10.947 -3.110 3.183 1.00 1.00 C ATOM 0 H ILE A 26 14.485 -4.160 3.887 1.00 1.00 H new ATOM 0 HA ILE A 26 12.994 -6.322 5.019 1.00 1.00 H new ATOM 0 HB ILE A 26 12.705 -4.925 2.314 1.00 1.00 H new ATOM 0 HG12 ILE A 26 11.363 -4.238 4.978 1.00 1.00 H new ATOM 0 HG13 ILE A 26 12.749 -3.369 4.346 1.00 1.00 H new ATOM 0 HG21 ILE A 26 10.330 -5.641 2.540 1.00 1.00 H new ATOM 0 HG22 ILE A 26 11.422 -7.046 2.558 1.00 1.00 H new ATOM 0 HG23 ILE A 26 10.720 -6.447 4.079 1.00 1.00 H new ATOM 0 HD11 ILE A 26 10.639 -2.220 3.732 1.00 1.00 H new ATOM 0 HD12 ILE A 26 11.473 -2.813 2.276 1.00 1.00 H new ATOM 0 HD13 ILE A 26 10.066 -3.695 2.917 1.00 1.00 H new ATOM 397 N MET A 27 13.332 -8.291 3.503 1.00 1.00 N ATOM 398 CA MET A 27 13.703 -9.523 2.784 1.00 1.00 C ATOM 399 C MET A 27 12.605 -9.885 1.789 1.00 1.00 C ATOM 400 O MET A 27 12.859 -10.524 0.767 1.00 1.00 O ATOM 401 CB MET A 27 13.920 -10.675 3.777 1.00 1.00 C ATOM 402 CG MET A 27 14.534 -11.896 3.066 1.00 1.00 C ATOM 403 SD MET A 27 16.253 -11.524 2.591 1.00 1.00 S ATOM 404 CE MET A 27 17.103 -12.562 3.806 1.00 1.00 C ATOM 0 H MET A 27 12.585 -8.416 4.186 1.00 1.00 H new ATOM 0 HA MET A 27 14.634 -9.353 2.244 1.00 1.00 H new ATOM 0 HB2 MET A 27 14.577 -10.348 4.583 1.00 1.00 H new ATOM 0 HB3 MET A 27 12.970 -10.953 4.233 1.00 1.00 H new ATOM 0 HG2 MET A 27 14.507 -12.764 3.724 1.00 1.00 H new ATOM 0 HG3 MET A 27 13.948 -12.148 2.182 1.00 1.00 H new ATOM 0 HE1 MET A 27 18.108 -12.175 3.976 1.00 1.00 H new ATOM 0 HE2 MET A 27 16.548 -12.554 4.744 1.00 1.00 H new ATOM 0 HE3 MET A 27 17.166 -13.584 3.431 1.00 1.00 H new ATOM 414 N THR A 28 11.377 -9.469 2.077 1.00 1.00 N ATOM 415 CA THR A 28 10.246 -9.747 1.192 1.00 1.00 C ATOM 416 C THR A 28 10.242 -8.739 0.054 1.00 1.00 C ATOM 417 O THR A 28 10.779 -7.639 0.180 1.00 1.00 O ATOM 418 CB THR A 28 8.929 -9.656 1.982 1.00 1.00 C ATOM 419 OG1 THR A 28 8.987 -10.537 3.097 1.00 1.00 O ATOM 420 CG2 THR A 28 7.746 -10.048 1.085 1.00 1.00 C ATOM 0 H THR A 28 11.137 -8.939 2.914 1.00 1.00 H new ATOM 0 HA THR A 28 10.340 -10.753 0.784 1.00 1.00 H new ATOM 0 HB THR A 28 8.790 -8.631 2.326 1.00 1.00 H new ATOM 0 HG1 THR A 28 8.150 -10.480 3.603 1.00 1.00 H new ATOM 0 HG21 THR A 28 6.819 -9.980 1.655 1.00 1.00 H new ATOM 0 HG22 THR A 28 7.697 -9.372 0.231 1.00 1.00 H new ATOM 0 HG23 THR A 28 7.880 -11.070 0.732 1.00 1.00 H new ATOM 428 N LYS A 29 9.628 -9.082 -1.074 1.00 1.00 N ATOM 429 CA LYS A 29 9.570 -8.179 -2.221 1.00 1.00 C ATOM 430 C LYS A 29 8.415 -7.210 -2.066 1.00 1.00 C ATOM 431 O LYS A 29 7.460 -7.465 -1.332 1.00 1.00 O ATOM 432 CB LYS A 29 9.423 -8.980 -3.514 1.00 1.00 C ATOM 433 CG LYS A 29 8.133 -9.808 -3.487 1.00 1.00 C ATOM 434 CD LYS A 29 8.081 -10.689 -4.735 1.00 1.00 C ATOM 435 CE LYS A 29 6.803 -11.528 -4.717 1.00 1.00 C ATOM 436 NZ LYS A 29 6.753 -12.385 -5.936 1.00 1.00 N ATOM 0 H LYS A 29 9.163 -9.978 -1.220 1.00 1.00 H new ATOM 0 HA LYS A 29 10.498 -7.609 -2.268 1.00 1.00 H new ATOM 0 HB2 LYS A 29 9.410 -8.304 -4.369 1.00 1.00 H new ATOM 0 HB3 LYS A 29 10.282 -9.638 -3.641 1.00 1.00 H new ATOM 0 HG2 LYS A 29 8.100 -10.425 -2.589 1.00 1.00 H new ATOM 0 HG3 LYS A 29 7.264 -9.151 -3.454 1.00 1.00 H new ATOM 0 HD2 LYS A 29 8.109 -10.069 -5.631 1.00 1.00 H new ATOM 0 HD3 LYS A 29 8.955 -11.340 -4.770 1.00 1.00 H new ATOM 0 HE2 LYS A 29 6.776 -12.149 -3.822 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.929 -10.878 -4.681 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 5.884 -12.956 -5.924 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 6.760 -11.783 -6.784 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 7.580 -13.015 -5.952 1.00 1.00 H new ATOM 450 N LEU A 30 8.506 -6.080 -2.761 1.00 1.00 N ATOM 451 CA LEU A 30 7.450 -5.040 -2.682 1.00 1.00 C ATOM 452 C LEU A 30 6.480 -5.088 -3.893 1.00 1.00 C ATOM 453 O LEU A 30 6.806 -4.532 -4.943 1.00 1.00 O ATOM 454 CB LEU A 30 8.137 -3.655 -2.592 1.00 1.00 C ATOM 455 CG LEU A 30 8.586 -3.367 -1.124 1.00 1.00 C ATOM 456 CD1 LEU A 30 7.354 -3.197 -0.176 1.00 1.00 C ATOM 457 CD2 LEU A 30 9.501 -4.515 -0.617 1.00 1.00 C ATOM 0 H LEU A 30 9.283 -5.850 -3.381 1.00 1.00 H new ATOM 0 HA LEU A 30 6.844 -5.226 -1.796 1.00 1.00 H new ATOM 0 HB2 LEU A 30 9.001 -3.626 -3.256 1.00 1.00 H new ATOM 0 HB3 LEU A 30 7.450 -2.878 -2.928 1.00 1.00 H new ATOM 0 HG LEU A 30 9.144 -2.431 -1.116 1.00 1.00 H new ATOM 0 HD11 LEU A 30 7.700 -2.998 0.838 1.00 1.00 H new ATOM 0 HD12 LEU A 30 6.742 -2.364 -0.521 1.00 1.00 H new ATOM 0 HD13 LEU A 30 6.760 -4.111 -0.184 1.00 1.00 H new ATOM 0 HD21 LEU A 30 9.811 -4.308 0.407 1.00 1.00 H new ATOM 0 HD22 LEU A 30 8.953 -5.457 -0.647 1.00 1.00 H new ATOM 0 HD23 LEU A 30 10.382 -4.587 -1.255 1.00 1.00 H new ATOM 469 N PRO A 31 5.340 -5.707 -3.763 1.00 1.00 N ATOM 470 CA PRO A 31 4.343 -5.798 -4.876 1.00 1.00 C ATOM 471 C PRO A 31 3.407 -4.585 -4.933 1.00 1.00 C ATOM 472 O PRO A 31 3.183 -3.882 -3.948 1.00 1.00 O ATOM 473 CB PRO A 31 3.581 -7.084 -4.524 1.00 1.00 C ATOM 474 CG PRO A 31 3.505 -7.059 -3.025 1.00 1.00 C ATOM 475 CD PRO A 31 4.816 -6.400 -2.556 1.00 1.00 C ATOM 0 HA PRO A 31 4.807 -5.813 -5.862 1.00 1.00 H new ATOM 0 HB2 PRO A 31 2.588 -7.096 -4.974 1.00 1.00 H new ATOM 0 HB3 PRO A 31 4.105 -7.970 -4.883 1.00 1.00 H new ATOM 0 HG2 PRO A 31 2.638 -6.492 -2.686 1.00 1.00 H new ATOM 0 HG3 PRO A 31 3.406 -8.066 -2.620 1.00 1.00 H new ATOM 0 HD2 PRO A 31 4.637 -5.698 -1.742 1.00 1.00 H new ATOM 0 HD3 PRO A 31 5.523 -7.143 -2.187 1.00 1.00 H new ATOM 483 N SER A 32 2.829 -4.345 -6.106 1.00 1.00 N ATOM 484 CA SER A 32 1.906 -3.221 -6.300 1.00 1.00 C ATOM 485 C SER A 32 0.534 -3.534 -5.715 1.00 1.00 C ATOM 486 O SER A 32 0.322 -4.602 -5.142 1.00 1.00 O ATOM 487 CB SER A 32 1.762 -2.933 -7.792 1.00 1.00 C ATOM 488 OG SER A 32 3.032 -2.583 -8.324 1.00 1.00 O ATOM 0 H SER A 32 2.981 -4.912 -6.940 1.00 1.00 H new ATOM 0 HA SER A 32 2.313 -2.350 -5.786 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.367 -3.809 -8.307 1.00 1.00 H new ATOM 0 HB3 SER A 32 1.051 -2.122 -7.951 1.00 1.00 H new ATOM 0 HG SER A 32 2.946 -2.399 -9.283 1.00 1.00 H new ATOM 494 N VAL A 33 -0.397 -2.598 -5.866 1.00 1.00 N ATOM 495 CA VAL A 33 -1.768 -2.768 -5.351 1.00 1.00 C ATOM 496 C VAL A 33 -2.798 -2.207 -6.330 1.00 1.00 C ATOM 497 O VAL A 33 -2.531 -1.255 -7.064 1.00 1.00 O ATOM 498 CB VAL A 33 -1.913 -2.062 -3.990 1.00 1.00 C ATOM 499 CG1 VAL A 33 -1.655 -0.553 -4.132 1.00 1.00 C ATOM 500 CG2 VAL A 33 -3.327 -2.287 -3.431 1.00 1.00 C ATOM 0 H VAL A 33 -0.235 -1.710 -6.340 1.00 1.00 H new ATOM 0 HA VAL A 33 -1.951 -3.836 -5.230 1.00 1.00 H new ATOM 0 HB VAL A 33 -1.177 -2.483 -3.305 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -1.762 -0.072 -3.160 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -0.645 -0.390 -4.508 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -2.375 -0.125 -4.830 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -3.422 -1.785 -2.468 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -4.062 -1.881 -4.126 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -3.501 -3.355 -3.302 1.00 1.00 H new ATOM 510 N ARG A 34 -3.988 -2.800 -6.334 1.00 1.00 N ATOM 511 CA ARG A 34 -5.086 -2.355 -7.211 1.00 1.00 C ATOM 512 C ARG A 34 -6.092 -1.554 -6.396 1.00 1.00 C ATOM 513 O ARG A 34 -6.627 -2.025 -5.392 1.00 1.00 O ATOM 514 CB ARG A 34 -5.778 -3.576 -7.833 1.00 1.00 C ATOM 515 CG ARG A 34 -6.840 -3.117 -8.837 1.00 1.00 C ATOM 516 CD ARG A 34 -7.462 -4.335 -9.520 1.00 1.00 C ATOM 517 NE ARG A 34 -8.175 -5.149 -8.546 1.00 1.00 N ATOM 518 CZ ARG A 34 -8.729 -6.308 -8.892 1.00 1.00 C ATOM 519 NH1 ARG A 34 -8.640 -6.737 -10.124 1.00 1.00 N ATOM 520 NH2 ARG A 34 -9.366 -7.015 -7.998 1.00 1.00 N ATOM 0 H ARG A 34 -4.225 -3.594 -5.740 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.684 -1.728 -8.007 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -5.042 -4.207 -8.331 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -6.240 -4.180 -7.052 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -7.612 -2.540 -8.327 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -6.391 -2.460 -9.582 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -8.146 -4.011 -10.304 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -6.684 -4.928 -10.001 1.00 1.00 H new ATOM 0 HE ARG A 34 -8.251 -4.825 -7.582 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -8.145 -6.183 -10.823 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -9.066 -7.626 -10.386 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -9.438 -6.678 -7.038 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -9.792 -7.904 -8.260 1.00 1.00 H new ATOM 534 N VAL A 35 -6.349 -0.325 -6.830 1.00 1.00 N ATOM 535 CA VAL A 35 -7.293 0.569 -6.134 1.00 1.00 C ATOM 536 C VAL A 35 -8.452 0.986 -7.049 1.00 1.00 C ATOM 537 O VAL A 35 -8.270 1.388 -8.199 1.00 1.00 O ATOM 538 CB VAL A 35 -6.548 1.821 -5.628 1.00 1.00 C ATOM 539 CG1 VAL A 35 -7.380 2.514 -4.547 1.00 1.00 C ATOM 540 CG2 VAL A 35 -5.189 1.409 -5.044 1.00 1.00 C ATOM 0 H VAL A 35 -5.921 0.084 -7.661 1.00 1.00 H new ATOM 0 HA VAL A 35 -7.713 0.024 -5.289 1.00 1.00 H new ATOM 0 HB VAL A 35 -6.393 2.508 -6.460 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -6.851 3.398 -4.192 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.343 2.810 -4.963 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -7.540 1.828 -3.715 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.663 2.294 -4.687 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -5.344 0.719 -4.214 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.594 0.921 -5.816 1.00 1.00 H new ATOM 550 N LYS A 36 -9.663 0.892 -6.510 1.00 1.00 N ATOM 551 CA LYS A 36 -10.874 1.251 -7.257 1.00 1.00 C ATOM 552 C LYS A 36 -11.388 2.609 -6.798 1.00 1.00 C ATOM 553 O LYS A 36 -11.275 2.977 -5.628 1.00 1.00 O ATOM 554 CB LYS A 36 -11.943 0.181 -7.028 1.00 1.00 C ATOM 555 CG LYS A 36 -13.168 0.457 -7.906 1.00 1.00 C ATOM 556 CD LYS A 36 -14.195 -0.657 -7.706 1.00 1.00 C ATOM 557 CE LYS A 36 -15.408 -0.389 -8.595 1.00 1.00 C ATOM 558 NZ LYS A 36 -16.004 0.927 -8.234 1.00 1.00 N ATOM 0 H LYS A 36 -9.837 0.570 -5.558 1.00 1.00 H new ATOM 0 HA LYS A 36 -10.640 1.309 -8.320 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -11.537 -0.804 -7.258 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -12.235 0.168 -5.978 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -13.605 1.421 -7.647 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -12.874 0.512 -8.954 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -13.754 -1.623 -7.954 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -14.499 -0.704 -6.660 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -15.112 -0.391 -9.644 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -16.146 -1.181 -8.471 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -17.035 0.827 -8.139 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -15.603 1.254 -7.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -15.791 1.621 -8.979 1.00 1.00 H new ATOM 572 N THR A 37 -11.963 3.362 -7.730 1.00 1.00 N ATOM 573 CA THR A 37 -12.502 4.698 -7.421 1.00 1.00 C ATOM 574 C THR A 37 -13.915 4.868 -7.963 1.00 1.00 C ATOM 575 O THR A 37 -14.184 4.584 -9.130 1.00 1.00 O ATOM 576 CB THR A 37 -11.614 5.768 -8.043 1.00 1.00 C ATOM 577 OG1 THR A 37 -11.704 5.694 -9.458 1.00 1.00 O ATOM 578 CG2 THR A 37 -10.159 5.571 -7.604 1.00 1.00 C ATOM 0 H THR A 37 -12.071 3.079 -8.704 1.00 1.00 H new ATOM 0 HA THR A 37 -12.525 4.801 -6.336 1.00 1.00 H new ATOM 0 HB THR A 37 -11.951 6.749 -7.708 1.00 1.00 H new ATOM 0 HG1 THR A 37 -12.599 5.388 -9.713 1.00 1.00 H new ATOM 0 HG21 THR A 37 -9.535 6.342 -8.056 1.00 1.00 H new ATOM 0 HG22 THR A 37 -10.094 5.641 -6.518 1.00 1.00 H new ATOM 0 HG23 THR A 37 -9.812 4.589 -7.926 1.00 1.00 H new ATOM 586 N GLU A 38 -14.823 5.340 -7.114 1.00 1.00 N ATOM 587 CA GLU A 38 -16.206 5.554 -7.522 1.00 1.00 C ATOM 588 C GLU A 38 -16.261 6.497 -8.703 1.00 1.00 C ATOM 589 O GLU A 38 -16.490 6.092 -9.843 1.00 1.00 O ATOM 590 CB GLU A 38 -17.024 6.127 -6.355 1.00 1.00 C ATOM 591 CG GLU A 38 -18.510 6.217 -6.740 1.00 1.00 C ATOM 592 CD GLU A 38 -19.338 6.709 -5.552 1.00 1.00 C ATOM 593 OE1 GLU A 38 -18.748 7.145 -4.577 1.00 1.00 O ATOM 594 OE2 GLU A 38 -20.554 6.650 -5.641 1.00 1.00 O ATOM 0 H GLU A 38 -14.626 5.581 -6.143 1.00 1.00 H new ATOM 0 HA GLU A 38 -16.635 4.595 -7.814 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -16.907 5.495 -5.475 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -16.649 7.116 -6.090 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -18.633 6.896 -7.584 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -18.869 5.239 -7.062 1.00 1.00 H new ATOM 601 N GLY A 39 -16.042 7.781 -8.437 1.00 1.00 N ATOM 602 CA GLY A 39 -16.053 8.807 -9.479 1.00 1.00 C ATOM 603 C GLY A 39 -15.168 8.410 -10.660 1.00 1.00 C ATOM 604 O GLY A 39 -14.654 7.293 -10.713 1.00 1.00 O ATOM 0 H GLY A 39 -15.853 8.140 -7.501 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -17.074 8.966 -9.825 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -15.706 9.753 -9.064 1.00 1.00 H new ATOM 608 N TYR A 40 -15.000 9.326 -11.610 1.00 1.00 N ATOM 609 CA TYR A 40 -14.194 9.070 -12.817 1.00 1.00 C ATOM 610 C TYR A 40 -12.853 9.786 -12.722 1.00 1.00 C ATOM 611 O TYR A 40 -12.638 10.636 -11.859 1.00 1.00 O ATOM 612 CB TYR A 40 -14.960 9.549 -14.074 1.00 1.00 C ATOM 613 CG TYR A 40 -16.450 9.310 -13.884 1.00 1.00 C ATOM 614 CD1 TYR A 40 -16.984 8.024 -14.050 1.00 1.00 C ATOM 615 CD2 TYR A 40 -17.294 10.378 -13.534 1.00 1.00 C ATOM 616 CE1 TYR A 40 -18.356 7.810 -13.865 1.00 1.00 C ATOM 617 CE2 TYR A 40 -18.662 10.160 -13.353 1.00 1.00 C ATOM 618 CZ TYR A 40 -19.194 8.878 -13.519 1.00 1.00 C ATOM 619 OH TYR A 40 -20.545 8.668 -13.343 1.00 1.00 O ATOM 0 H TYR A 40 -15.411 10.259 -11.574 1.00 1.00 H new ATOM 0 HA TYR A 40 -14.013 7.998 -12.895 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -14.770 10.608 -14.246 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -14.605 9.014 -14.955 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -16.339 7.201 -14.320 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -16.884 11.369 -13.405 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -18.769 6.820 -13.989 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -19.309 10.982 -13.085 1.00 1.00 H new ATOM 0 HH TYR A 40 -20.979 9.514 -13.105 1.00 1.00 H new ATOM 629 N ASN A 41 -11.939 9.439 -13.623 1.00 1.00 N ATOM 630 CA ASN A 41 -10.595 10.048 -13.639 1.00 1.00 C ATOM 631 C ASN A 41 -10.339 10.742 -14.980 1.00 1.00 C ATOM 632 O ASN A 41 -9.719 10.154 -15.869 1.00 1.00 O ATOM 633 CB ASN A 41 -9.546 8.960 -13.401 1.00 1.00 C ATOM 634 CG ASN A 41 -9.824 8.259 -12.072 1.00 1.00 C ATOM 635 OD1 ASN A 41 -10.963 8.226 -11.610 1.00 1.00 O ATOM 636 ND2 ASN A 41 -8.842 7.697 -11.421 1.00 1.00 N ATOM 0 H ASN A 41 -12.095 8.743 -14.352 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.530 10.796 -12.848 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -9.567 8.237 -14.216 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.548 9.399 -13.390 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -9.020 7.232 -10.531 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -7.896 7.723 -11.802 1.00 1.00 H new ATOM 643 N PRO A 42 -10.778 11.959 -15.150 1.00 1.00 N ATOM 644 CA PRO A 42 -10.568 12.710 -16.428 1.00 1.00 C ATOM 645 C PRO A 42 -9.098 12.728 -16.852 1.00 1.00 C ATOM 646 O PRO A 42 -8.767 12.578 -18.028 1.00 1.00 O ATOM 647 CB PRO A 42 -11.085 14.136 -16.106 1.00 1.00 C ATOM 648 CG PRO A 42 -12.071 13.945 -14.989 1.00 1.00 C ATOM 649 CD PRO A 42 -11.532 12.768 -14.163 1.00 1.00 C ATOM 0 HA PRO A 42 -11.089 12.250 -17.267 1.00 1.00 H new ATOM 0 HB2 PRO A 42 -10.269 14.794 -15.805 1.00 1.00 H new ATOM 0 HB3 PRO A 42 -11.557 14.591 -16.977 1.00 1.00 H new ATOM 0 HG2 PRO A 42 -12.154 14.846 -14.381 1.00 1.00 H new ATOM 0 HG3 PRO A 42 -13.066 13.729 -15.377 1.00 1.00 H new ATOM 0 HD2 PRO A 42 -10.889 13.110 -13.352 1.00 1.00 H new ATOM 0 HD3 PRO A 42 -12.340 12.194 -13.709 1.00 1.00 H new ATOM 657 N SER A 43 -8.211 12.917 -15.881 1.00 1.00 N ATOM 658 CA SER A 43 -6.778 12.956 -16.168 1.00 1.00 C ATOM 659 C SER A 43 -5.977 12.718 -14.899 1.00 1.00 C ATOM 660 O SER A 43 -5.632 11.585 -14.565 1.00 1.00 O ATOM 661 CB SER A 43 -6.412 14.320 -16.771 1.00 1.00 C ATOM 662 OG SER A 43 -7.056 14.469 -18.028 1.00 1.00 O ATOM 0 H SER A 43 -8.453 13.044 -14.898 1.00 1.00 H new ATOM 0 HA SER A 43 -6.538 12.168 -16.882 1.00 1.00 H new ATOM 0 HB2 SER A 43 -6.716 15.121 -16.097 1.00 1.00 H new ATOM 0 HB3 SER A 43 -5.332 14.398 -16.892 1.00 1.00 H new ATOM 0 HG SER A 43 -7.442 13.611 -18.301 1.00 1.00 H new ATOM 668 N ILE A 44 -5.681 13.801 -14.191 1.00 1.00 N ATOM 669 CA ILE A 44 -4.899 13.731 -12.931 1.00 1.00 C ATOM 670 C ILE A 44 -3.884 12.571 -12.964 1.00 1.00 C ATOM 671 O ILE A 44 -4.267 11.418 -12.763 1.00 1.00 O ATOM 672 CB ILE A 44 -5.861 13.596 -11.712 1.00 1.00 C ATOM 673 CG1 ILE A 44 -5.078 13.137 -10.452 1.00 1.00 C ATOM 674 CG2 ILE A 44 -6.990 12.591 -12.018 1.00 1.00 C ATOM 675 CD1 ILE A 44 -5.897 13.391 -9.184 1.00 1.00 C ATOM 0 H ILE A 44 -5.964 14.745 -14.455 1.00 1.00 H new ATOM 0 HA ILE A 44 -4.332 14.656 -12.828 1.00 1.00 H new ATOM 0 HB ILE A 44 -6.303 14.574 -11.520 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -4.841 12.076 -10.531 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -4.130 13.672 -10.392 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -7.650 12.511 -11.154 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -7.560 12.936 -12.880 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -6.558 11.614 -12.236 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -5.330 13.062 -8.313 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -6.111 14.456 -9.097 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -6.833 12.836 -9.238 1.00 1.00 H new ATOM 687 N ASN A 45 -2.617 12.868 -13.231 1.00 1.00 N ATOM 688 CA ASN A 45 -1.606 11.839 -13.303 1.00 1.00 C ATOM 689 C ASN A 45 -1.433 11.152 -11.949 1.00 1.00 C ATOM 690 O ASN A 45 -0.705 11.636 -11.081 1.00 1.00 O ATOM 691 CB ASN A 45 -0.287 12.473 -13.747 1.00 1.00 C ATOM 692 CG ASN A 45 -0.433 13.034 -15.158 1.00 1.00 C ATOM 693 OD1 ASN A 45 -1.060 12.411 -16.013 1.00 1.00 O ATOM 694 ND2 ASN A 45 0.105 14.188 -15.454 1.00 1.00 N ATOM 0 H ASN A 45 -2.274 13.814 -13.400 1.00 1.00 H new ATOM 0 HA ASN A 45 -1.914 11.082 -14.024 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -0.005 13.268 -13.057 1.00 1.00 H new ATOM 0 HB3 ASN A 45 0.511 11.731 -13.722 1.00 1.00 H new ATOM 0 HD21 ASN A 45 0.005 14.571 -16.394 1.00 1.00 H new ATOM 0 HD22 ASN A 45 0.625 14.705 -14.745 1.00 1.00 H new ATOM 701 N VAL A 46 -2.089 10.011 -11.769 1.00 1.00 N ATOM 702 CA VAL A 46 -2.005 9.248 -10.521 1.00 1.00 C ATOM 703 C VAL A 46 -0.591 8.689 -10.321 1.00 1.00 C ATOM 704 O VAL A 46 -0.379 7.738 -9.568 1.00 1.00 O ATOM 705 CB VAL A 46 -3.023 8.097 -10.543 1.00 1.00 C ATOM 706 CG1 VAL A 46 -4.447 8.660 -10.580 1.00 1.00 C ATOM 707 CG2 VAL A 46 -2.792 7.231 -11.784 1.00 1.00 C ATOM 0 H VAL A 46 -2.691 9.588 -12.476 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.233 9.917 -9.691 1.00 1.00 H new ATOM 0 HB VAL A 46 -2.896 7.494 -9.644 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -5.163 7.838 -10.595 1.00 1.00 H new ATOM 0 HG12 VAL A 46 -4.619 9.274 -9.696 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -4.574 9.269 -11.475 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -3.515 6.415 -11.798 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -2.914 7.839 -12.680 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -1.782 6.821 -11.759 1.00 1.00 H new ATOM 717 N ASN A 47 0.377 9.298 -10.997 1.00 1.00 N ATOM 718 CA ASN A 47 1.781 8.879 -10.904 1.00 1.00 C ATOM 719 C ASN A 47 2.494 9.671 -9.814 1.00 1.00 C ATOM 720 O ASN A 47 3.719 9.645 -9.709 1.00 1.00 O ATOM 721 CB ASN A 47 2.480 9.105 -12.249 1.00 1.00 C ATOM 722 CG ASN A 47 1.898 8.166 -13.301 1.00 1.00 C ATOM 723 OD1 ASN A 47 1.418 7.082 -12.969 1.00 1.00 O ATOM 724 ND2 ASN A 47 1.908 8.521 -14.556 1.00 1.00 N ATOM 0 H ASN A 47 0.219 10.089 -11.621 1.00 1.00 H new ATOM 0 HA ASN A 47 1.817 7.819 -10.653 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.355 10.141 -12.564 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.551 8.931 -12.146 1.00 1.00 H new ATOM 0 HD21 ASN A 47 1.518 7.900 -15.265 1.00 1.00 H new ATOM 0 HD22 ASN A 47 2.306 9.420 -14.829 1.00 1.00 H new ATOM 731 N GLU A 48 1.708 10.373 -9.004 1.00 1.00 N ATOM 732 CA GLU A 48 2.247 11.196 -7.905 1.00 1.00 C ATOM 733 C GLU A 48 1.597 10.801 -6.579 1.00 1.00 C ATOM 734 O GLU A 48 1.929 11.351 -5.528 1.00 1.00 O ATOM 735 CB GLU A 48 1.981 12.684 -8.211 1.00 1.00 C ATOM 736 CG GLU A 48 2.765 13.592 -7.243 1.00 1.00 C ATOM 737 CD GLU A 48 2.674 15.046 -7.688 1.00 1.00 C ATOM 738 OE1 GLU A 48 1.656 15.663 -7.422 1.00 1.00 O ATOM 739 OE2 GLU A 48 3.625 15.523 -8.284 1.00 1.00 O ATOM 0 H GLU A 48 0.691 10.394 -9.081 1.00 1.00 H new ATOM 0 HA GLU A 48 3.321 11.030 -7.820 1.00 1.00 H new ATOM 0 HB2 GLU A 48 2.270 12.906 -9.238 1.00 1.00 H new ATOM 0 HB3 GLU A 48 0.914 12.892 -8.128 1.00 1.00 H new ATOM 0 HG2 GLU A 48 2.367 13.488 -6.234 1.00 1.00 H new ATOM 0 HG3 GLU A 48 3.809 13.281 -7.207 1.00 1.00 H new ATOM 746 N LEU A 49 0.677 9.845 -6.631 1.00 1.00 N ATOM 747 CA LEU A 49 -0.031 9.360 -5.436 1.00 1.00 C ATOM 748 C LEU A 49 0.179 7.859 -5.302 1.00 1.00 C ATOM 749 O LEU A 49 0.045 7.105 -6.265 1.00 1.00 O ATOM 750 CB LEU A 49 -1.526 9.674 -5.557 1.00 1.00 C ATOM 751 CG LEU A 49 -1.732 11.182 -5.814 1.00 1.00 C ATOM 752 CD1 LEU A 49 -3.220 11.443 -6.074 1.00 1.00 C ATOM 753 CD2 LEU A 49 -1.261 12.025 -4.601 1.00 1.00 C ATOM 0 H LEU A 49 0.396 9.381 -7.495 1.00 1.00 H new ATOM 0 HA LEU A 49 0.362 9.859 -4.550 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -1.962 9.095 -6.371 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -2.043 9.379 -4.644 1.00 1.00 H new ATOM 0 HG LEU A 49 -1.139 11.474 -6.680 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -3.376 12.506 -6.257 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -3.542 10.874 -6.946 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -3.801 11.135 -5.205 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.418 13.083 -4.810 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.832 11.741 -3.717 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -0.201 11.844 -4.422 1.00 1.00 H new ATOM 765 N PHE A 50 0.512 7.420 -4.092 1.00 1.00 N ATOM 766 CA PHE A 50 0.757 5.994 -3.835 1.00 1.00 C ATOM 767 C PHE A 50 0.202 5.565 -2.485 1.00 1.00 C ATOM 768 O PHE A 50 -0.574 6.274 -1.843 1.00 1.00 O ATOM 769 CB PHE A 50 2.266 5.730 -3.853 1.00 1.00 C ATOM 770 CG PHE A 50 2.850 6.170 -5.182 1.00 1.00 C ATOM 771 CD1 PHE A 50 2.875 5.282 -6.266 1.00 1.00 C ATOM 772 CD2 PHE A 50 3.373 7.464 -5.328 1.00 1.00 C ATOM 773 CE1 PHE A 50 3.420 5.685 -7.491 1.00 1.00 C ATOM 774 CE2 PHE A 50 3.918 7.866 -6.555 1.00 1.00 C ATOM 775 CZ PHE A 50 3.941 6.976 -7.635 1.00 1.00 C ATOM 0 H PHE A 50 0.619 8.022 -3.275 1.00 1.00 H new ATOM 0 HA PHE A 50 0.253 5.421 -4.613 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.748 6.269 -3.037 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.461 4.669 -3.693 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.473 4.286 -6.156 1.00 1.00 H new ATOM 0 HD2 PHE A 50 3.356 8.150 -4.494 1.00 1.00 H new ATOM 0 HE1 PHE A 50 3.438 4.999 -8.325 1.00 1.00 H new ATOM 0 HE2 PHE A 50 4.320 8.862 -6.667 1.00 1.00 H new ATOM 0 HZ PHE A 50 4.361 7.286 -8.580 1.00 1.00 H new ATOM 785 N ALA A 51 0.623 4.378 -2.061 1.00 1.00 N ATOM 786 CA ALA A 51 0.207 3.804 -0.777 1.00 1.00 C ATOM 787 C ALA A 51 1.443 3.608 0.083 1.00 1.00 C ATOM 788 O ALA A 51 2.505 3.221 -0.402 1.00 1.00 O ATOM 789 CB ALA A 51 -0.495 2.468 -0.994 1.00 1.00 C ATOM 0 H ALA A 51 1.260 3.785 -2.593 1.00 1.00 H new ATOM 0 HA ALA A 51 -0.492 4.478 -0.282 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -0.797 2.055 -0.032 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -1.376 2.617 -1.618 1.00 1.00 H new ATOM 0 HB3 ALA A 51 0.186 1.775 -1.488 1.00 1.00 H new ATOM 795 N TYR A 52 1.317 3.888 1.375 1.00 1.00 N ATOM 796 CA TYR A 52 2.460 3.763 2.305 1.00 1.00 C ATOM 797 C TYR A 52 2.181 2.771 3.424 1.00 1.00 C ATOM 798 O TYR A 52 1.052 2.341 3.658 1.00 1.00 O ATOM 799 CB TYR A 52 2.782 5.143 2.911 1.00 1.00 C ATOM 800 CG TYR A 52 2.749 6.187 1.811 1.00 1.00 C ATOM 801 CD1 TYR A 52 3.887 6.429 1.030 1.00 1.00 C ATOM 802 CD2 TYR A 52 1.572 6.908 1.569 1.00 1.00 C ATOM 803 CE1 TYR A 52 3.844 7.390 0.014 1.00 1.00 C ATOM 804 CE2 TYR A 52 1.533 7.864 0.554 1.00 1.00 C ATOM 805 CZ TYR A 52 2.667 8.107 -0.222 1.00 1.00 C ATOM 806 OH TYR A 52 2.626 9.052 -1.223 1.00 1.00 O ATOM 0 H TYR A 52 0.449 4.201 1.810 1.00 1.00 H new ATOM 0 HA TYR A 52 3.311 3.390 1.736 1.00 1.00 H new ATOM 0 HB2 TYR A 52 2.058 5.391 3.687 1.00 1.00 H new ATOM 0 HB3 TYR A 52 3.764 5.126 3.384 1.00 1.00 H new ATOM 0 HD1 TYR A 52 4.796 5.875 1.212 1.00 1.00 H new ATOM 0 HD2 TYR A 52 0.694 6.723 2.169 1.00 1.00 H new ATOM 0 HE1 TYR A 52 4.720 7.578 -0.588 1.00 1.00 H new ATOM 0 HE2 TYR A 52 0.624 8.417 0.368 1.00 1.00 H new ATOM 0 HH TYR A 52 1.734 9.457 -1.254 1.00 1.00 H new ATOM 816 N VAL A 53 3.254 2.411 4.121 1.00 1.00 N ATOM 817 CA VAL A 53 3.172 1.467 5.243 1.00 1.00 C ATOM 818 C VAL A 53 3.965 2.016 6.422 1.00 1.00 C ATOM 819 O VAL A 53 4.998 2.665 6.252 1.00 1.00 O ATOM 820 CB VAL A 53 3.725 0.092 4.819 1.00 1.00 C ATOM 821 CG1 VAL A 53 2.716 -0.610 3.900 1.00 1.00 C ATOM 822 CG2 VAL A 53 5.052 0.283 4.067 1.00 1.00 C ATOM 0 H VAL A 53 4.195 2.757 3.932 1.00 1.00 H new ATOM 0 HA VAL A 53 2.130 1.343 5.538 1.00 1.00 H new ATOM 0 HB VAL A 53 3.892 -0.518 5.707 1.00 1.00 H new ATOM 0 HG11 VAL A 53 3.110 -1.582 3.602 1.00 1.00 H new ATOM 0 HG12 VAL A 53 1.774 -0.748 4.431 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.546 0.000 3.013 1.00 1.00 H new ATOM 0 HG21 VAL A 53 5.443 -0.689 3.767 1.00 1.00 H new ATOM 0 HG22 VAL A 53 4.883 0.895 3.181 1.00 1.00 H new ATOM 0 HG23 VAL A 53 5.772 0.778 4.719 1.00 1.00 H new ATOM 832 N ASP A 54 3.477 1.748 7.628 1.00 1.00 N ATOM 833 CA ASP A 54 4.152 2.228 8.840 1.00 1.00 C ATOM 834 C ASP A 54 5.079 1.159 9.397 1.00 1.00 C ATOM 835 O ASP A 54 4.738 0.427 10.327 1.00 1.00 O ATOM 836 CB ASP A 54 3.109 2.604 9.893 1.00 1.00 C ATOM 837 CG ASP A 54 3.801 3.215 11.105 1.00 1.00 C ATOM 838 OD1 ASP A 54 4.420 4.254 10.947 1.00 1.00 O ATOM 839 OD2 ASP A 54 3.707 2.633 12.173 1.00 1.00 O ATOM 0 H ASP A 54 2.628 1.209 7.798 1.00 1.00 H new ATOM 0 HA ASP A 54 4.747 3.105 8.584 1.00 1.00 H new ATOM 0 HB2 ASP A 54 2.394 3.313 9.474 1.00 1.00 H new ATOM 0 HB3 ASP A 54 2.544 1.721 10.191 1.00 1.00 H new ATOM 844 N LEU A 55 6.271 1.078 8.816 1.00 1.00 N ATOM 845 CA LEU A 55 7.270 0.097 9.254 1.00 1.00 C ATOM 846 C LEU A 55 7.899 0.539 10.574 1.00 1.00 C ATOM 847 O LEU A 55 8.700 -0.190 11.159 1.00 1.00 O ATOM 848 CB LEU A 55 8.366 -0.079 8.156 1.00 1.00 C ATOM 849 CG LEU A 55 8.252 -1.449 7.443 1.00 1.00 C ATOM 850 CD1 LEU A 55 6.982 -1.498 6.590 1.00 1.00 C ATOM 851 CD2 LEU A 55 9.481 -1.662 6.548 1.00 1.00 C ATOM 0 H LEU A 55 6.572 1.674 8.045 1.00 1.00 H new ATOM 0 HA LEU A 55 6.778 -0.863 9.410 1.00 1.00 H new ATOM 0 HB2 LEU A 55 8.276 0.721 7.422 1.00 1.00 H new ATOM 0 HB3 LEU A 55 9.353 0.014 8.610 1.00 1.00 H new ATOM 0 HG LEU A 55 8.203 -2.238 8.194 1.00 1.00 H new ATOM 0 HD11 LEU A 55 6.914 -2.466 6.094 1.00 1.00 H new ATOM 0 HD12 LEU A 55 6.110 -1.355 7.228 1.00 1.00 H new ATOM 0 HD13 LEU A 55 7.017 -0.708 5.840 1.00 1.00 H new ATOM 0 HD21 LEU A 55 9.402 -2.626 6.045 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.531 -0.868 5.803 1.00 1.00 H new ATOM 0 HD23 LEU A 55 10.384 -1.644 7.159 1.00 1.00 H new ATOM 863 N SER A 56 7.520 1.725 11.041 1.00 1.00 N ATOM 864 CA SER A 56 8.044 2.268 12.289 1.00 1.00 C ATOM 865 C SER A 56 7.354 1.645 13.498 1.00 1.00 C ATOM 866 O SER A 56 7.598 2.049 14.636 1.00 1.00 O ATOM 867 CB SER A 56 7.839 3.785 12.306 1.00 1.00 C ATOM 868 OG SER A 56 8.010 4.269 13.629 1.00 1.00 O ATOM 0 H SER A 56 6.848 2.331 10.570 1.00 1.00 H new ATOM 0 HA SER A 56 9.107 2.032 12.347 1.00 1.00 H new ATOM 0 HB2 SER A 56 8.551 4.267 11.636 1.00 1.00 H new ATOM 0 HB3 SER A 56 6.842 4.032 11.943 1.00 1.00 H new ATOM 0 HG SER A 56 8.376 3.556 14.193 1.00 1.00 H new ATOM 874 N GLY A 57 6.493 0.659 13.265 1.00 1.00 N ATOM 875 CA GLY A 57 5.759 -0.022 14.347 1.00 1.00 C ATOM 876 C GLY A 57 5.824 -1.540 14.193 1.00 1.00 C ATOM 877 O GLY A 57 4.795 -2.216 14.216 1.00 1.00 O ATOM 0 H GLY A 57 6.280 0.306 12.332 1.00 1.00 H new ATOM 0 HA2 GLY A 57 6.179 0.266 15.311 1.00 1.00 H new ATOM 0 HA3 GLY A 57 4.718 0.302 14.343 1.00 1.00 H new ATOM 881 N SER A 58 7.033 -2.070 14.046 1.00 1.00 N ATOM 882 CA SER A 58 7.226 -3.520 13.895 1.00 1.00 C ATOM 883 C SER A 58 8.607 -3.950 14.384 1.00 1.00 C ATOM 884 O SER A 58 8.721 -4.718 15.338 1.00 1.00 O ATOM 885 CB SER A 58 7.065 -3.915 12.430 1.00 1.00 C ATOM 886 OG SER A 58 7.524 -5.247 12.265 1.00 1.00 O ATOM 0 H SER A 58 7.895 -1.526 14.027 1.00 1.00 H new ATOM 0 HA SER A 58 6.472 -4.023 14.501 1.00 1.00 H new ATOM 0 HB2 SER A 58 6.020 -3.835 12.130 1.00 1.00 H new ATOM 0 HB3 SER A 58 7.632 -3.238 11.792 1.00 1.00 H new ATOM 0 HG SER A 58 7.682 -5.423 11.314 1.00 1.00 H new ATOM 892 N GLU A 59 9.652 -3.469 13.720 1.00 1.00 N ATOM 893 CA GLU A 59 11.040 -3.795 14.084 1.00 1.00 C ATOM 894 C GLU A 59 11.348 -5.287 13.851 1.00 1.00 C ATOM 895 O GLU A 59 10.440 -6.114 13.934 1.00 1.00 O ATOM 896 CB GLU A 59 11.295 -3.419 15.561 1.00 1.00 C ATOM 897 CG GLU A 59 10.834 -1.981 15.809 1.00 1.00 C ATOM 898 CD GLU A 59 11.226 -1.546 17.216 1.00 1.00 C ATOM 899 OE1 GLU A 59 12.415 -1.529 17.498 1.00 1.00 O ATOM 900 OE2 GLU A 59 10.337 -1.243 17.993 1.00 1.00 O ATOM 0 H GLU A 59 9.570 -2.845 12.917 1.00 1.00 H new ATOM 0 HA GLU A 59 11.705 -3.216 13.443 1.00 1.00 H new ATOM 0 HB2 GLU A 59 10.759 -4.103 16.219 1.00 1.00 H new ATOM 0 HB3 GLU A 59 12.355 -3.518 15.795 1.00 1.00 H new ATOM 0 HG2 GLU A 59 11.284 -1.314 15.074 1.00 1.00 H new ATOM 0 HG3 GLU A 59 9.753 -1.910 15.685 1.00 1.00 H new ATOM 907 N PRO A 60 12.570 -5.653 13.581 1.00 1.00 N ATOM 908 CA PRO A 60 12.959 -7.084 13.347 1.00 1.00 C ATOM 909 C PRO A 60 12.172 -8.077 14.210 1.00 1.00 C ATOM 910 O PRO A 60 11.855 -7.801 15.367 1.00 1.00 O ATOM 911 CB PRO A 60 14.456 -7.110 13.711 1.00 1.00 C ATOM 912 CG PRO A 60 14.972 -5.731 13.380 1.00 1.00 C ATOM 913 CD PRO A 60 13.757 -4.766 13.436 1.00 1.00 C ATOM 0 HA PRO A 60 12.746 -7.393 12.324 1.00 1.00 H new ATOM 0 HB2 PRO A 60 14.600 -7.341 14.767 1.00 1.00 H new ATOM 0 HB3 PRO A 60 14.985 -7.875 13.143 1.00 1.00 H new ATOM 0 HG2 PRO A 60 15.740 -5.426 14.091 1.00 1.00 H new ATOM 0 HG3 PRO A 60 15.430 -5.718 12.391 1.00 1.00 H new ATOM 0 HD2 PRO A 60 13.839 -4.076 14.275 1.00 1.00 H new ATOM 0 HD3 PRO A 60 13.690 -4.162 12.531 1.00 1.00 H new ATOM 921 N GLY A 61 11.853 -9.237 13.643 1.00 1.00 N ATOM 922 CA GLY A 61 11.102 -10.287 14.350 1.00 1.00 C ATOM 923 C GLY A 61 9.799 -10.604 13.628 1.00 1.00 C ATOM 924 O GLY A 61 8.901 -11.224 14.198 1.00 1.00 O ATOM 0 H GLY A 61 12.103 -9.482 12.685 1.00 1.00 H new ATOM 0 HA2 GLY A 61 11.711 -11.188 14.423 1.00 1.00 H new ATOM 0 HA3 GLY A 61 10.888 -9.963 15.369 1.00 1.00 H new ATOM 928 N GLU A 62 9.681 -10.184 12.372 1.00 1.00 N ATOM 929 CA GLU A 62 8.469 -10.423 11.577 1.00 1.00 C ATOM 930 C GLU A 62 7.252 -9.834 12.293 1.00 1.00 C ATOM 931 O GLU A 62 7.157 -9.921 13.517 1.00 1.00 O ATOM 932 CB GLU A 62 8.287 -11.925 11.348 1.00 1.00 C ATOM 933 CG GLU A 62 7.116 -12.169 10.392 1.00 1.00 C ATOM 934 CD GLU A 62 6.974 -13.662 10.104 1.00 1.00 C ATOM 935 OE1 GLU A 62 7.586 -14.449 10.807 1.00 1.00 O ATOM 936 OE2 GLU A 62 6.248 -13.997 9.181 1.00 1.00 O ATOM 0 H GLU A 62 10.411 -9.673 11.876 1.00 1.00 H new ATOM 0 HA GLU A 62 8.570 -9.934 10.608 1.00 1.00 H new ATOM 0 HB2 GLU A 62 9.201 -12.352 10.934 1.00 1.00 H new ATOM 0 HB3 GLU A 62 8.103 -12.427 12.298 1.00 1.00 H new ATOM 0 HG2 GLU A 62 6.194 -11.786 10.829 1.00 1.00 H new ATOM 0 HG3 GLU A 62 7.277 -11.625 9.461 1.00 1.00 H new ATOM 943 N HIS A 63 6.328 -9.241 11.543 1.00 1.00 N ATOM 944 CA HIS A 63 5.150 -8.636 12.158 1.00 1.00 C ATOM 945 C HIS A 63 3.970 -8.552 11.191 1.00 1.00 C ATOM 946 O HIS A 63 3.917 -9.197 10.143 1.00 1.00 O ATOM 947 CB HIS A 63 5.537 -7.226 12.655 1.00 1.00 C ATOM 948 CG HIS A 63 4.554 -6.719 13.679 1.00 1.00 C ATOM 949 ND1 HIS A 63 4.289 -7.408 14.850 1.00 1.00 N ATOM 950 CD2 HIS A 63 3.768 -5.591 13.720 1.00 1.00 C ATOM 951 CE1 HIS A 63 3.380 -6.696 15.541 1.00 1.00 C ATOM 952 NE2 HIS A 63 3.027 -5.580 14.898 1.00 1.00 N ATOM 0 H HIS A 63 6.369 -9.166 10.527 1.00 1.00 H new ATOM 0 HA HIS A 63 4.827 -9.264 12.988 1.00 1.00 H new ATOM 0 HB2 HIS A 63 6.537 -7.252 13.089 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.574 -6.538 11.811 1.00 1.00 H new ATOM 0 HD2 HIS A 63 3.731 -4.830 12.955 1.00 1.00 H new ATOM 0 HE1 HIS A 63 2.983 -6.992 16.501 1.00 1.00 H new ATOM 0 HE2 HIS A 63 2.359 -4.873 15.204 1.00 1.00 H new ATOM 961 N ASP A 64 3.008 -7.720 11.574 1.00 1.00 N ATOM 962 CA ASP A 64 1.799 -7.493 10.784 1.00 1.00 C ATOM 963 C ASP A 64 1.796 -6.050 10.303 1.00 1.00 C ATOM 964 O ASP A 64 2.243 -5.135 10.996 1.00 1.00 O ATOM 965 CB ASP A 64 0.557 -7.776 11.639 1.00 1.00 C ATOM 966 CG ASP A 64 0.474 -9.270 11.970 1.00 1.00 C ATOM 967 OD1 ASP A 64 1.152 -10.046 11.313 1.00 1.00 O ATOM 968 OD2 ASP A 64 -0.263 -9.614 12.879 1.00 1.00 O ATOM 0 H ASP A 64 3.042 -7.183 12.440 1.00 1.00 H new ATOM 0 HA ASP A 64 1.782 -8.163 9.924 1.00 1.00 H new ATOM 0 HB2 ASP A 64 0.599 -7.194 12.559 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -0.340 -7.464 11.105 1.00 1.00 H new ATOM 973 N TYR A 65 1.292 -5.833 9.093 1.00 1.00 N ATOM 974 CA TYR A 65 1.253 -4.473 8.520 1.00 1.00 C ATOM 975 C TYR A 65 -0.097 -4.178 7.882 1.00 1.00 C ATOM 976 O TYR A 65 -0.687 -5.023 7.208 1.00 1.00 O ATOM 977 CB TYR A 65 2.365 -4.335 7.484 1.00 1.00 C ATOM 978 CG TYR A 65 3.693 -4.687 8.136 1.00 1.00 C ATOM 979 CD1 TYR A 65 4.047 -6.034 8.290 1.00 1.00 C ATOM 980 CD2 TYR A 65 4.565 -3.681 8.588 1.00 1.00 C ATOM 981 CE1 TYR A 65 5.262 -6.377 8.888 1.00 1.00 C ATOM 982 CE2 TYR A 65 5.785 -4.029 9.183 1.00 1.00 C ATOM 983 CZ TYR A 65 6.133 -5.377 9.332 1.00 1.00 C ATOM 984 OH TYR A 65 7.337 -5.721 9.909 1.00 1.00 O ATOM 0 H TYR A 65 0.908 -6.561 8.491 1.00 1.00 H new ATOM 0 HA TYR A 65 1.402 -3.752 9.324 1.00 1.00 H new ATOM 0 HB2 TYR A 65 2.175 -4.994 6.637 1.00 1.00 H new ATOM 0 HB3 TYR A 65 2.394 -3.317 7.096 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.379 -6.809 7.945 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.295 -2.641 8.477 1.00 1.00 H new ATOM 0 HE1 TYR A 65 5.529 -7.417 9.008 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.457 -3.257 9.527 1.00 1.00 H new ATOM 0 HH TYR A 65 7.803 -6.364 9.335 1.00 1.00 H new ATOM 994 N GLU A 66 -0.574 -2.957 8.099 1.00 1.00 N ATOM 995 CA GLU A 66 -1.870 -2.521 7.559 1.00 1.00 C ATOM 996 C GLU A 66 -1.684 -1.593 6.366 1.00 1.00 C ATOM 997 O GLU A 66 -0.707 -0.848 6.290 1.00 1.00 O ATOM 998 CB GLU A 66 -2.649 -1.788 8.650 1.00 1.00 C ATOM 999 CG GLU A 66 -2.867 -2.728 9.838 1.00 1.00 C ATOM 1000 CD GLU A 66 -3.634 -2.007 10.941 1.00 1.00 C ATOM 1001 OE1 GLU A 66 -3.346 -0.845 11.175 1.00 1.00 O ATOM 1002 OE2 GLU A 66 -4.500 -2.629 11.536 1.00 1.00 O ATOM 0 H GLU A 66 -0.087 -2.246 8.645 1.00 1.00 H new ATOM 0 HA GLU A 66 -2.419 -3.402 7.228 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -2.102 -0.901 8.970 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -3.608 -1.447 8.261 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -3.420 -3.611 9.517 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -1.906 -3.075 10.219 1.00 1.00 H new ATOM 1009 N VAL A 67 -2.636 -1.632 5.439 1.00 1.00 N ATOM 1010 CA VAL A 67 -2.591 -0.781 4.236 1.00 1.00 C ATOM 1011 C VAL A 67 -3.558 0.386 4.381 1.00 1.00 C ATOM 1012 O VAL A 67 -4.773 0.212 4.476 1.00 1.00 O ATOM 1013 CB VAL A 67 -2.976 -1.597 2.998 1.00 1.00 C ATOM 1014 CG1 VAL A 67 -2.863 -0.727 1.732 1.00 1.00 C ATOM 1015 CG2 VAL A 67 -2.036 -2.802 2.877 1.00 1.00 C ATOM 0 H VAL A 67 -3.452 -2.242 5.490 1.00 1.00 H new ATOM 0 HA VAL A 67 -1.576 -0.401 4.122 1.00 1.00 H new ATOM 0 HB VAL A 67 -4.006 -1.939 3.100 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -3.139 -1.318 0.859 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -3.533 0.129 1.818 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -1.837 -0.375 1.623 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -2.305 -3.387 1.997 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.008 -2.453 2.780 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -2.126 -3.424 3.768 1.00 1.00 H new ATOM 1025 N LYS A 68 -3.014 1.600 4.400 1.00 1.00 N ATOM 1026 CA LYS A 68 -3.823 2.821 4.525 1.00 1.00 C ATOM 1027 C LYS A 68 -3.551 3.760 3.353 1.00 1.00 C ATOM 1028 O LYS A 68 -2.420 3.938 2.902 1.00 1.00 O ATOM 1029 CB LYS A 68 -3.512 3.513 5.856 1.00 1.00 C ATOM 1030 CG LYS A 68 -1.999 3.758 5.980 1.00 1.00 C ATOM 1031 CD LYS A 68 -1.669 4.514 7.295 1.00 1.00 C ATOM 1032 CE LYS A 68 -1.661 3.556 8.497 1.00 1.00 C ATOM 1033 NZ LYS A 68 -0.681 2.462 8.254 1.00 1.00 N ATOM 0 H LYS A 68 -2.011 1.770 4.330 1.00 1.00 H new ATOM 0 HA LYS A 68 -4.879 2.553 4.507 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -4.048 4.460 5.917 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -3.858 2.896 6.686 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -1.469 2.806 5.960 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -1.648 4.336 5.125 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -0.697 4.998 7.205 1.00 1.00 H new ATOM 0 HD3 LYS A 68 -2.404 5.302 7.459 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -1.399 4.098 9.406 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -2.657 3.139 8.650 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -0.294 2.135 9.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -1.156 1.671 7.775 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 0.092 2.815 7.655 1.00 1.00 H new ATOM 1047 N VAL A 69 -4.617 4.378 2.854 1.00 1.00 N ATOM 1048 CA VAL A 69 -4.515 5.307 1.716 1.00 1.00 C ATOM 1049 C VAL A 69 -4.741 6.745 2.167 1.00 1.00 C ATOM 1050 O VAL A 69 -5.652 7.039 2.942 1.00 1.00 O ATOM 1051 CB VAL A 69 -5.548 4.935 0.649 1.00 1.00 C ATOM 1052 CG1 VAL A 69 -5.404 5.861 -0.575 1.00 1.00 C ATOM 1053 CG2 VAL A 69 -5.317 3.480 0.227 1.00 1.00 C ATOM 0 H VAL A 69 -5.564 4.257 3.214 1.00 1.00 H new ATOM 0 HA VAL A 69 -3.511 5.229 1.298 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.552 5.051 1.056 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -6.144 5.587 -1.327 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.563 6.895 -0.270 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -4.404 5.756 -0.995 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -6.047 3.201 -0.533 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -4.311 3.374 -0.179 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -5.429 2.828 1.093 1.00 1.00 H new ATOM 1063 N GLU A 70 -3.909 7.646 1.654 1.00 1.00 N ATOM 1064 CA GLU A 70 -4.009 9.060 2.001 1.00 1.00 C ATOM 1065 C GLU A 70 -5.258 9.683 1.336 1.00 1.00 C ATOM 1066 O GLU A 70 -5.314 9.719 0.107 1.00 1.00 O ATOM 1067 CB GLU A 70 -2.737 9.800 1.541 1.00 1.00 C ATOM 1068 CG GLU A 70 -1.529 9.335 2.378 1.00 1.00 C ATOM 1069 CD GLU A 70 -1.647 9.840 3.818 1.00 1.00 C ATOM 1070 OE1 GLU A 70 -1.185 10.939 4.082 1.00 1.00 O ATOM 1071 OE2 GLU A 70 -2.203 9.121 4.632 1.00 1.00 O ATOM 0 H GLU A 70 -3.160 7.423 0.998 1.00 1.00 H new ATOM 0 HA GLU A 70 -4.105 9.156 3.082 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -2.555 9.606 0.484 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.873 10.876 1.649 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -1.472 8.246 2.372 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -0.606 9.705 1.931 1.00 1.00 H new ATOM 1078 N PRO A 71 -6.219 10.167 2.072 1.00 1.00 N ATOM 1079 CA PRO A 71 -7.453 10.776 1.463 1.00 1.00 C ATOM 1080 C PRO A 71 -7.144 11.730 0.295 1.00 1.00 C ATOM 1081 O PRO A 71 -6.468 12.745 0.462 1.00 1.00 O ATOM 1082 CB PRO A 71 -8.074 11.553 2.642 1.00 1.00 C ATOM 1083 CG PRO A 71 -7.678 10.776 3.857 1.00 1.00 C ATOM 1084 CD PRO A 71 -6.283 10.204 3.554 1.00 1.00 C ATOM 0 HA PRO A 71 -8.105 10.018 1.030 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -7.698 12.575 2.685 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -9.158 11.616 2.548 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -7.655 11.415 4.739 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -8.392 9.978 4.060 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -5.496 10.832 3.971 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -6.158 9.210 3.983 1.00 1.00 H new ATOM 1092 N ILE A 72 -7.657 11.404 -0.888 1.00 1.00 N ATOM 1093 CA ILE A 72 -7.433 12.257 -2.085 1.00 1.00 C ATOM 1094 C ILE A 72 -8.706 13.046 -2.455 1.00 1.00 C ATOM 1095 O ILE A 72 -9.745 12.429 -2.694 1.00 1.00 O ATOM 1096 CB ILE A 72 -6.973 11.404 -3.282 1.00 1.00 C ATOM 1097 CG1 ILE A 72 -5.754 10.539 -2.872 1.00 1.00 C ATOM 1098 CG2 ILE A 72 -6.584 12.315 -4.461 1.00 1.00 C ATOM 1099 CD1 ILE A 72 -4.617 11.394 -2.252 1.00 1.00 C ATOM 0 H ILE A 72 -8.223 10.573 -1.058 1.00 1.00 H new ATOM 0 HA ILE A 72 -6.648 12.972 -1.839 1.00 1.00 H new ATOM 0 HB ILE A 72 -7.793 10.754 -3.588 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -6.071 9.782 -2.154 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -5.374 10.010 -3.746 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -6.260 11.703 -5.303 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -7.445 12.913 -4.758 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -5.771 12.975 -4.158 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -3.783 10.747 -1.979 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.280 12.134 -2.979 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -4.988 11.902 -1.362 1.00 1.00 H new ATOM 1111 N PRO A 73 -8.665 14.348 -2.525 1.00 1.00 N ATOM 1112 CA PRO A 73 -9.864 15.168 -2.884 1.00 1.00 C ATOM 1113 C PRO A 73 -10.232 15.031 -4.356 1.00 1.00 C ATOM 1114 O PRO A 73 -9.411 14.672 -5.200 1.00 1.00 O ATOM 1115 CB PRO A 73 -9.452 16.616 -2.532 1.00 1.00 C ATOM 1116 CG PRO A 73 -7.957 16.630 -2.649 1.00 1.00 C ATOM 1117 CD PRO A 73 -7.485 15.217 -2.274 1.00 1.00 C ATOM 0 HA PRO A 73 -10.756 14.846 -2.346 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -9.909 17.334 -3.214 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -9.772 16.884 -1.525 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -7.648 16.888 -3.662 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -7.521 17.375 -1.984 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -6.631 14.911 -2.879 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -7.171 15.168 -1.231 1.00 1.00 H new ATOM 1125 N ASN A 74 -11.489 15.325 -4.675 1.00 1.00 N ATOM 1126 CA ASN A 74 -12.014 15.255 -6.042 1.00 1.00 C ATOM 1127 C ASN A 74 -12.368 13.819 -6.414 1.00 1.00 C ATOM 1128 O ASN A 74 -13.218 13.582 -7.272 1.00 1.00 O ATOM 1129 CB ASN A 74 -11.002 15.836 -7.062 1.00 1.00 C ATOM 1130 CG ASN A 74 -11.710 16.268 -8.344 1.00 1.00 C ATOM 1131 OD1 ASN A 74 -12.684 17.018 -8.297 1.00 1.00 O ATOM 1132 ND2 ASN A 74 -11.275 15.829 -9.494 1.00 1.00 N ATOM 0 H ASN A 74 -12.182 15.622 -3.988 1.00 1.00 H new ATOM 0 HA ASN A 74 -12.921 15.859 -6.077 1.00 1.00 H new ATOM 0 HB2 ASN A 74 -10.485 16.689 -6.622 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -10.244 15.088 -7.295 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -11.743 16.108 -10.356 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -10.467 15.207 -9.530 1.00 1.00 H new ATOM 1139 N ILE A 75 -11.713 12.848 -5.787 1.00 1.00 N ATOM 1140 CA ILE A 75 -11.964 11.424 -6.050 1.00 1.00 C ATOM 1141 C ILE A 75 -12.112 10.659 -4.743 1.00 1.00 C ATOM 1142 O ILE A 75 -11.507 10.983 -3.721 1.00 1.00 O ATOM 1143 CB ILE A 75 -10.819 10.826 -6.915 1.00 1.00 C ATOM 1144 CG1 ILE A 75 -10.926 11.363 -8.370 1.00 1.00 C ATOM 1145 CG2 ILE A 75 -10.875 9.278 -6.919 1.00 1.00 C ATOM 1146 CD1 ILE A 75 -12.087 10.717 -9.158 1.00 1.00 C ATOM 0 H ILE A 75 -10.994 13.018 -5.083 1.00 1.00 H new ATOM 0 HA ILE A 75 -12.897 11.330 -6.605 1.00 1.00 H new ATOM 0 HB ILE A 75 -9.866 11.131 -6.482 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -11.066 12.444 -8.345 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -9.988 11.175 -8.893 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -10.063 8.886 -7.532 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -10.772 8.908 -5.899 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -11.830 8.950 -7.329 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -12.115 11.128 -10.167 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -11.936 9.639 -9.210 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -13.030 10.927 -8.654 1.00 1.00 H new ATOM 1158 N LYS A 76 -12.936 9.616 -4.785 1.00 1.00 N ATOM 1159 CA LYS A 76 -13.204 8.768 -3.621 1.00 1.00 C ATOM 1160 C LYS A 76 -12.665 7.360 -3.837 1.00 1.00 C ATOM 1161 O LYS A 76 -12.599 6.835 -4.949 1.00 1.00 O ATOM 1162 CB LYS A 76 -14.713 8.701 -3.375 1.00 1.00 C ATOM 1163 CG LYS A 76 -15.232 10.091 -3.000 1.00 1.00 C ATOM 1164 CD LYS A 76 -16.742 10.025 -2.762 1.00 1.00 C ATOM 1165 CE LYS A 76 -17.281 11.429 -2.467 1.00 1.00 C ATOM 1166 NZ LYS A 76 -16.745 11.903 -1.160 1.00 1.00 N ATOM 0 H LYS A 76 -13.438 9.332 -5.626 1.00 1.00 H new ATOM 0 HA LYS A 76 -12.703 9.202 -2.756 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -15.222 8.340 -4.269 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -14.931 7.992 -2.576 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -14.727 10.450 -2.103 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -15.009 10.801 -3.796 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -17.240 9.611 -3.639 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -16.959 9.359 -1.927 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -16.991 12.116 -3.262 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -18.371 11.414 -2.441 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -17.294 12.725 -0.837 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -16.819 11.140 -0.457 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -15.747 12.175 -1.272 1.00 1.00 H new ATOM 1180 N ILE A 77 -12.276 6.727 -2.734 1.00 1.00 N ATOM 1181 CA ILE A 77 -11.741 5.364 -2.776 1.00 1.00 C ATOM 1182 C ILE A 77 -12.863 4.355 -2.577 1.00 1.00 C ATOM 1183 O ILE A 77 -13.789 4.581 -1.798 1.00 1.00 O ATOM 1184 CB ILE A 77 -10.682 5.194 -1.681 1.00 1.00 C ATOM 1185 CG1 ILE A 77 -10.039 3.798 -1.782 1.00 1.00 C ATOM 1186 CG2 ILE A 77 -11.322 5.369 -0.296 1.00 1.00 C ATOM 1187 CD1 ILE A 77 -8.842 3.715 -0.829 1.00 1.00 C ATOM 0 H ILE A 77 -12.320 7.133 -1.799 1.00 1.00 H new ATOM 0 HA ILE A 77 -11.283 5.190 -3.749 1.00 1.00 H new ATOM 0 HB ILE A 77 -9.912 5.954 -1.817 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -10.771 3.030 -1.531 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -9.716 3.608 -2.806 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -10.561 5.246 0.475 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -11.758 6.365 -0.220 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -12.102 4.620 -0.158 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -8.387 2.727 -0.901 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -8.107 4.473 -1.101 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -9.179 3.886 0.194 1.00 1.00 H new ATOM 1199 N VAL A 78 -12.789 3.228 -3.278 1.00 1.00 N ATOM 1200 CA VAL A 78 -13.815 2.169 -3.168 1.00 1.00 C ATOM 1201 C VAL A 78 -13.191 0.850 -2.705 1.00 1.00 C ATOM 1202 O VAL A 78 -13.726 0.180 -1.822 1.00 1.00 O ATOM 1203 CB VAL A 78 -14.517 1.981 -4.516 1.00 1.00 C ATOM 1204 CG1 VAL A 78 -15.627 0.929 -4.393 1.00 1.00 C ATOM 1205 CG2 VAL A 78 -15.124 3.314 -4.952 1.00 1.00 C ATOM 0 H VAL A 78 -12.035 3.014 -3.930 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.550 2.475 -2.423 1.00 1.00 H new ATOM 0 HB VAL A 78 -13.792 1.642 -5.256 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -16.119 0.804 -5.358 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -15.194 -0.021 -4.081 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.358 1.256 -3.653 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -15.626 3.189 -5.911 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.845 3.647 -4.206 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.334 4.059 -5.050 1.00 1.00 H new ATOM 1215 N GLU A 79 -12.060 0.461 -3.287 1.00 1.00 N ATOM 1216 CA GLU A 79 -11.387 -0.797 -2.902 1.00 1.00 C ATOM 1217 C GLU A 79 -10.286 -0.528 -1.883 1.00 1.00 C ATOM 1218 O GLU A 79 -9.537 0.445 -1.970 1.00 1.00 O ATOM 1219 CB GLU A 79 -10.786 -1.492 -4.133 1.00 1.00 C ATOM 1220 CG GLU A 79 -10.155 -2.834 -3.738 1.00 1.00 C ATOM 1221 CD GLU A 79 -9.672 -3.574 -4.986 1.00 1.00 C ATOM 1222 OE1 GLU A 79 -10.055 -3.183 -6.076 1.00 1.00 O ATOM 1223 OE2 GLU A 79 -8.921 -4.524 -4.831 1.00 1.00 O ATOM 0 H GLU A 79 -11.586 0.986 -4.022 1.00 1.00 H new ATOM 0 HA GLU A 79 -12.135 -1.451 -2.455 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.562 -1.654 -4.881 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -10.033 -0.850 -4.589 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -9.319 -2.666 -3.059 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -10.883 -3.444 -3.203 1.00 1.00 H new ATOM 1230 N ILE A 80 -10.192 -1.414 -0.897 1.00 1.00 N ATOM 1231 CA ILE A 80 -9.181 -1.306 0.160 1.00 1.00 C ATOM 1232 C ILE A 80 -8.547 -2.667 0.405 1.00 1.00 C ATOM 1233 O ILE A 80 -8.892 -3.376 1.351 1.00 1.00 O ATOM 1234 CB ILE A 80 -9.830 -0.791 1.459 1.00 1.00 C ATOM 1235 CG1 ILE A 80 -10.604 0.550 1.188 1.00 1.00 C ATOM 1236 CG2 ILE A 80 -8.735 -0.576 2.526 1.00 1.00 C ATOM 1237 CD1 ILE A 80 -12.092 0.273 0.913 1.00 1.00 C ATOM 0 H ILE A 80 -10.807 -2.222 -0.804 1.00 1.00 H new ATOM 0 HA ILE A 80 -8.411 -0.602 -0.155 1.00 1.00 H new ATOM 0 HB ILE A 80 -10.545 -1.529 1.823 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -10.505 1.213 2.048 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -10.161 1.065 0.336 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -9.191 -0.212 3.447 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -8.227 -1.520 2.722 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -8.013 0.156 2.164 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -12.609 1.214 0.728 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -12.187 -0.371 0.039 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -12.536 -0.221 1.777 1.00 1.00 H new ATOM 1249 N SER A 81 -7.591 -3.041 -0.439 1.00 1.00 N ATOM 1250 CA SER A 81 -6.920 -4.341 -0.272 1.00 1.00 C ATOM 1251 C SER A 81 -5.450 -4.300 -0.749 1.00 1.00 C ATOM 1252 O SER A 81 -5.147 -3.565 -1.688 1.00 1.00 O ATOM 1253 CB SER A 81 -7.693 -5.422 -1.043 1.00 1.00 C ATOM 1254 OG SER A 81 -8.799 -5.841 -0.255 1.00 1.00 O ATOM 0 H SER A 81 -7.264 -2.484 -1.229 1.00 1.00 H new ATOM 0 HA SER A 81 -6.911 -4.578 0.792 1.00 1.00 H new ATOM 0 HB2 SER A 81 -8.038 -5.030 -2.000 1.00 1.00 H new ATOM 0 HB3 SER A 81 -7.042 -6.269 -1.261 1.00 1.00 H new ATOM 0 HG SER A 81 -8.974 -5.176 0.444 1.00 1.00 H new ATOM 1260 N PRO A 82 -4.564 -5.061 -0.168 1.00 1.00 N ATOM 1261 CA PRO A 82 -4.855 -5.994 0.982 1.00 1.00 C ATOM 1262 C PRO A 82 -5.066 -5.243 2.301 1.00 1.00 C ATOM 1263 O PRO A 82 -4.386 -4.261 2.597 1.00 1.00 O ATOM 1264 CB PRO A 82 -3.626 -6.925 1.015 1.00 1.00 C ATOM 1265 CG PRO A 82 -2.500 -6.105 0.440 1.00 1.00 C ATOM 1266 CD PRO A 82 -3.143 -5.120 -0.566 1.00 1.00 C ATOM 0 HA PRO A 82 -5.786 -6.545 0.851 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -3.401 -7.246 2.032 1.00 1.00 H new ATOM 0 HB3 PRO A 82 -3.798 -7.827 0.427 1.00 1.00 H new ATOM 0 HG2 PRO A 82 -1.971 -5.566 1.227 1.00 1.00 H new ATOM 0 HG3 PRO A 82 -1.769 -6.744 -0.056 1.00 1.00 H new ATOM 0 HD2 PRO A 82 -2.675 -4.137 -0.514 1.00 1.00 H new ATOM 0 HD3 PRO A 82 -3.032 -5.471 -1.592 1.00 1.00 H new ATOM 1274 N ARG A 83 -6.010 -5.714 3.109 1.00 1.00 N ATOM 1275 CA ARG A 83 -6.318 -5.076 4.381 1.00 1.00 C ATOM 1276 C ARG A 83 -5.096 -5.119 5.273 1.00 1.00 C ATOM 1277 O ARG A 83 -4.605 -4.093 5.743 1.00 1.00 O ATOM 1278 CB ARG A 83 -7.481 -5.813 5.058 1.00 1.00 C ATOM 1279 CG ARG A 83 -8.752 -5.690 4.205 1.00 1.00 C ATOM 1280 CD ARG A 83 -9.878 -6.514 4.845 1.00 1.00 C ATOM 1281 NE ARG A 83 -9.553 -7.932 4.765 1.00 1.00 N ATOM 1282 CZ ARG A 83 -10.355 -8.866 5.270 1.00 1.00 C ATOM 1283 NH1 ARG A 83 -11.475 -8.535 5.862 1.00 1.00 N ATOM 1284 NH2 ARG A 83 -10.022 -10.124 5.164 1.00 1.00 N ATOM 0 H ARG A 83 -6.576 -6.538 2.904 1.00 1.00 H new ATOM 0 HA ARG A 83 -6.604 -4.038 4.209 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.226 -6.864 5.194 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -7.658 -5.397 6.050 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -9.051 -4.645 4.127 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -8.559 -6.043 3.192 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -10.011 -6.219 5.886 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.821 -6.317 4.335 1.00 1.00 H new ATOM 0 HE ARG A 83 -8.686 -8.217 4.309 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -11.740 -7.553 5.940 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -12.082 -9.259 6.246 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -9.153 -10.384 4.697 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -10.631 -10.847 5.548 1.00 1.00 H new ATOM 1298 N VAL A 84 -4.586 -6.322 5.512 1.00 1.00 N ATOM 1299 CA VAL A 84 -3.400 -6.530 6.341 1.00 1.00 C ATOM 1300 C VAL A 84 -2.471 -7.523 5.649 1.00 1.00 C ATOM 1301 O VAL A 84 -2.925 -8.411 4.927 1.00 1.00 O ATOM 1302 CB VAL A 84 -3.814 -7.068 7.722 1.00 1.00 C ATOM 1303 CG1 VAL A 84 -2.625 -6.983 8.690 1.00 1.00 C ATOM 1304 CG2 VAL A 84 -4.978 -6.231 8.266 1.00 1.00 C ATOM 0 H VAL A 84 -4.983 -7.183 5.137 1.00 1.00 H new ATOM 0 HA VAL A 84 -2.879 -5.582 6.477 1.00 1.00 H new ATOM 0 HB VAL A 84 -4.125 -8.108 7.626 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -2.923 -7.365 9.666 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -1.798 -7.579 8.304 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -2.309 -5.944 8.788 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -5.273 -6.610 9.244 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -4.666 -5.191 8.359 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -5.824 -6.296 7.582 1.00 1.00 H new ATOM 1314 N VAL A 85 -1.168 -7.380 5.865 1.00 1.00 N ATOM 1315 CA VAL A 85 -0.185 -8.285 5.241 1.00 1.00 C ATOM 1316 C VAL A 85 0.999 -8.556 6.163 1.00 1.00 C ATOM 1317 O VAL A 85 1.236 -7.841 7.138 1.00 1.00 O ATOM 1318 CB VAL A 85 0.315 -7.686 3.916 1.00 1.00 C ATOM 1319 CG1 VAL A 85 -0.866 -7.514 2.948 1.00 1.00 C ATOM 1320 CG2 VAL A 85 0.970 -6.320 4.169 1.00 1.00 C ATOM 0 H VAL A 85 -0.762 -6.657 6.459 1.00 1.00 H new ATOM 0 HA VAL A 85 -0.685 -9.234 5.050 1.00 1.00 H new ATOM 0 HB VAL A 85 1.051 -8.361 3.479 1.00 1.00 H new ATOM 0 HG11 VAL A 85 -0.509 -7.089 2.010 1.00 1.00 H new ATOM 0 HG12 VAL A 85 -1.323 -8.485 2.756 1.00 1.00 H new ATOM 0 HG13 VAL A 85 -1.605 -6.846 3.391 1.00 1.00 H new ATOM 0 HG21 VAL A 85 1.321 -5.904 3.224 1.00 1.00 H new ATOM 0 HG22 VAL A 85 0.241 -5.644 4.615 1.00 1.00 H new ATOM 0 HG23 VAL A 85 1.814 -6.441 4.848 1.00 1.00 H new ATOM 1330 N THR A 86 1.749 -9.603 5.832 1.00 1.00 N ATOM 1331 CA THR A 86 2.930 -10.007 6.616 1.00 1.00 C ATOM 1332 C THR A 86 4.212 -9.768 5.821 1.00 1.00 C ATOM 1333 O THR A 86 4.386 -10.288 4.718 1.00 1.00 O ATOM 1334 CB THR A 86 2.820 -11.494 6.966 1.00 1.00 C ATOM 1335 OG1 THR A 86 1.604 -11.718 7.668 1.00 1.00 O ATOM 1336 CG2 THR A 86 4.004 -11.920 7.846 1.00 1.00 C ATOM 0 H THR A 86 1.565 -10.195 5.022 1.00 1.00 H new ATOM 0 HA THR A 86 2.967 -9.410 7.527 1.00 1.00 H new ATOM 0 HB THR A 86 2.833 -12.081 6.048 1.00 1.00 H new ATOM 0 HG1 THR A 86 1.527 -12.669 7.893 1.00 1.00 H new ATOM 0 HG21 THR A 86 3.915 -12.979 8.088 1.00 1.00 H new ATOM 0 HG22 THR A 86 4.937 -11.748 7.309 1.00 1.00 H new ATOM 0 HG23 THR A 86 4.002 -11.336 8.766 1.00 1.00 H new ATOM 1344 N LEU A 87 5.114 -8.979 6.393 1.00 1.00 N ATOM 1345 CA LEU A 87 6.399 -8.662 5.738 1.00 1.00 C ATOM 1346 C LEU A 87 7.539 -9.380 6.443 1.00 1.00 C ATOM 1347 O LEU A 87 7.325 -10.242 7.296 1.00 1.00 O ATOM 1348 CB LEU A 87 6.654 -7.149 5.761 1.00 1.00 C ATOM 1349 CG LEU A 87 5.455 -6.392 5.155 1.00 1.00 C ATOM 1350 CD1 LEU A 87 5.711 -4.879 5.262 1.00 1.00 C ATOM 1351 CD2 LEU A 87 5.243 -6.789 3.672 1.00 1.00 C ATOM 0 H LEU A 87 4.989 -8.543 7.307 1.00 1.00 H new ATOM 0 HA LEU A 87 6.348 -8.998 4.702 1.00 1.00 H new ATOM 0 HB2 LEU A 87 6.821 -6.818 6.786 1.00 1.00 H new ATOM 0 HB3 LEU A 87 7.559 -6.918 5.200 1.00 1.00 H new ATOM 0 HG LEU A 87 4.553 -6.656 5.707 1.00 1.00 H new ATOM 0 HD11 LEU A 87 4.867 -4.336 4.835 1.00 1.00 H new ATOM 0 HD12 LEU A 87 5.828 -4.603 6.310 1.00 1.00 H new ATOM 0 HD13 LEU A 87 6.620 -4.624 4.716 1.00 1.00 H new ATOM 0 HD21 LEU A 87 4.392 -6.242 3.267 1.00 1.00 H new ATOM 0 HD22 LEU A 87 6.137 -6.545 3.099 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.051 -7.860 3.606 1.00 1.00 H new ATOM 1363 N GLN A 88 8.764 -9.018 6.078 1.00 1.00 N ATOM 1364 CA GLN A 88 9.947 -9.638 6.679 1.00 1.00 C ATOM 1365 C GLN A 88 11.084 -8.631 6.782 1.00 1.00 C ATOM 1366 O GLN A 88 11.639 -8.183 5.778 1.00 1.00 O ATOM 1367 CB GLN A 88 10.382 -10.840 5.834 1.00 1.00 C ATOM 1368 CG GLN A 88 11.534 -11.578 6.530 1.00 1.00 C ATOM 1369 CD GLN A 88 11.853 -12.871 5.788 1.00 1.00 C ATOM 1370 OE1 GLN A 88 11.674 -12.954 4.572 1.00 1.00 O ATOM 1371 NE2 GLN A 88 12.324 -13.889 6.453 1.00 1.00 N ATOM 0 H GLN A 88 8.967 -8.306 5.376 1.00 1.00 H new ATOM 0 HA GLN A 88 9.696 -9.976 7.685 1.00 1.00 H new ATOM 0 HB2 GLN A 88 9.540 -11.517 5.688 1.00 1.00 H new ATOM 0 HB3 GLN A 88 10.697 -10.506 4.846 1.00 1.00 H new ATOM 0 HG2 GLN A 88 12.418 -10.941 6.562 1.00 1.00 H new ATOM 0 HG3 GLN A 88 11.263 -11.799 7.562 1.00 1.00 H new ATOM 0 HE21 GLN A 88 12.471 -13.817 7.460 1.00 1.00 H new ATOM 0 HE22 GLN A 88 12.546 -14.758 5.966 1.00 1.00 H new ATOM 1380 N LEU A 89 11.429 -8.274 8.015 1.00 1.00 N ATOM 1381 CA LEU A 89 12.510 -7.312 8.274 1.00 1.00 C ATOM 1382 C LEU A 89 13.728 -8.034 8.829 1.00 1.00 C ATOM 1383 O LEU A 89 13.616 -8.988 9.600 1.00 1.00 O ATOM 1384 CB LEU A 89 12.039 -6.253 9.281 1.00 1.00 C ATOM 1385 CG LEU A 89 10.683 -5.676 8.857 1.00 1.00 C ATOM 1386 CD1 LEU A 89 10.295 -4.567 9.838 1.00 1.00 C ATOM 1387 CD2 LEU A 89 10.744 -5.106 7.427 1.00 1.00 C ATOM 0 H LEU A 89 10.978 -8.634 8.856 1.00 1.00 H new ATOM 0 HA LEU A 89 12.778 -6.824 7.337 1.00 1.00 H new ATOM 0 HB2 LEU A 89 11.958 -6.697 10.273 1.00 1.00 H new ATOM 0 HB3 LEU A 89 12.776 -5.453 9.349 1.00 1.00 H new ATOM 0 HG LEU A 89 9.939 -6.473 8.869 1.00 1.00 H new ATOM 0 HD11 LEU A 89 9.332 -4.146 9.549 1.00 1.00 H new ATOM 0 HD12 LEU A 89 10.224 -4.980 10.844 1.00 1.00 H new ATOM 0 HD13 LEU A 89 11.053 -3.784 9.820 1.00 1.00 H new ATOM 0 HD21 LEU A 89 9.768 -4.704 7.154 1.00 1.00 H new ATOM 0 HD22 LEU A 89 11.489 -4.312 7.383 1.00 1.00 H new ATOM 0 HD23 LEU A 89 11.018 -5.899 6.731 1.00 1.00 H new ATOM 1399 N GLU A 90 14.910 -7.575 8.427 1.00 1.00 N ATOM 1400 CA GLU A 90 16.164 -8.191 8.891 1.00 1.00 C ATOM 1401 C GLU A 90 17.154 -7.131 9.358 1.00 1.00 C ATOM 1402 O GLU A 90 17.251 -6.038 8.799 1.00 1.00 O ATOM 1403 CB GLU A 90 16.785 -9.023 7.761 1.00 1.00 C ATOM 1404 CG GLU A 90 18.000 -9.801 8.291 1.00 1.00 C ATOM 1405 CD GLU A 90 18.561 -10.718 7.210 1.00 1.00 C ATOM 1406 OE1 GLU A 90 17.884 -10.924 6.221 1.00 1.00 O ATOM 1407 OE2 GLU A 90 19.666 -11.203 7.392 1.00 1.00 O ATOM 0 H GLU A 90 15.033 -6.789 7.789 1.00 1.00 H new ATOM 0 HA GLU A 90 15.934 -8.840 9.736 1.00 1.00 H new ATOM 0 HB2 GLU A 90 16.046 -9.716 7.359 1.00 1.00 H new ATOM 0 HB3 GLU A 90 17.089 -8.371 6.942 1.00 1.00 H new ATOM 0 HG2 GLU A 90 18.770 -9.104 8.620 1.00 1.00 H new ATOM 0 HG3 GLU A 90 17.711 -10.390 9.161 1.00 1.00 H new ATOM 1414 N HIS A 91 17.899 -7.475 10.404 1.00 1.00 N ATOM 1415 CA HIS A 91 18.888 -6.569 10.970 1.00 1.00 C ATOM 1416 C HIS A 91 20.049 -6.373 10.003 1.00 1.00 C ATOM 1417 O HIS A 91 20.608 -7.333 9.471 1.00 1.00 O ATOM 1418 CB HIS A 91 19.406 -7.141 12.292 1.00 1.00 C ATOM 1419 CG HIS A 91 20.354 -6.165 12.935 1.00 1.00 C ATOM 1420 ND1 HIS A 91 19.928 -4.948 13.441 1.00 1.00 N ATOM 1421 CD2 HIS A 91 21.707 -6.212 13.157 1.00 1.00 C ATOM 1422 CE1 HIS A 91 21.007 -4.318 13.940 1.00 1.00 C ATOM 1423 NE2 HIS A 91 22.118 -5.045 13.792 1.00 1.00 N ATOM 0 H HIS A 91 17.835 -8.377 10.876 1.00 1.00 H new ATOM 0 HA HIS A 91 18.418 -5.602 11.148 1.00 1.00 H new ATOM 0 HB2 HIS A 91 18.571 -7.346 12.962 1.00 1.00 H new ATOM 0 HB3 HIS A 91 19.912 -8.090 12.114 1.00 1.00 H new ATOM 0 HD2 HIS A 91 22.355 -7.031 12.881 1.00 1.00 H new ATOM 0 HE1 HIS A 91 20.978 -3.343 14.404 1.00 1.00 H new ATOM 0 HE2 HIS A 91 23.064 -4.797 14.082 1.00 1.00 H new ATOM 1432 N HIS A 92 20.414 -5.116 9.773 1.00 1.00 N ATOM 1433 CA HIS A 92 21.518 -4.773 8.859 1.00 1.00 C ATOM 1434 C HIS A 92 22.458 -3.746 9.493 1.00 1.00 C ATOM 1435 O HIS A 92 22.037 -2.696 9.976 1.00 1.00 O ATOM 1436 CB HIS A 92 20.942 -4.211 7.547 1.00 1.00 C ATOM 1437 CG HIS A 92 22.021 -4.146 6.497 1.00 1.00 C ATOM 1438 ND1 HIS A 92 23.351 -4.410 6.785 1.00 1.00 N ATOM 1439 CD2 HIS A 92 21.977 -3.863 5.156 1.00 1.00 C ATOM 1440 CE1 HIS A 92 24.047 -4.280 5.640 1.00 1.00 C ATOM 1441 NE2 HIS A 92 23.258 -3.949 4.615 1.00 1.00 N ATOM 0 H HIS A 92 19.964 -4.309 10.205 1.00 1.00 H new ATOM 0 HA HIS A 92 22.091 -5.677 8.654 1.00 1.00 H new ATOM 0 HB2 HIS A 92 20.123 -4.841 7.200 1.00 1.00 H new ATOM 0 HB3 HIS A 92 20.529 -3.217 7.718 1.00 1.00 H new ATOM 0 HD2 HIS A 92 21.084 -3.611 4.603 1.00 1.00 H new ATOM 0 HE1 HIS A 92 25.114 -4.426 5.560 1.00 1.00 H new ATOM 0 HE2 HIS A 92 23.534 -3.793 3.645 1.00 1.00 H new