USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 104 MET CE :methyl 171:sc= 0 (180deg=-0.15) USER MOD Set 1.2: A 112 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Set 2.1: A 95 SER OG : rot 175:sc= 1.2 USER MOD Set 2.2: A 125 SER OG : rot -73:sc= 2.39 USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.11) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= 0.773 K(o=0.77,f=-2.4!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.0584 K(o=-0.058,f=-1.1) USER MOD Single : A 57 SER OG : rot 26:sc= 0.0795 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot -120:sc= 0.732 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 78 ASN : amide:sc= 1.73 K(o=1.7,f=-7.1!) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0023 USER MOD Single : A 82 HIS : no HD1:sc= -0.467 K(o=-0.47,f=-1.2) USER MOD Single : A 84 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.0643 K(o=0.064,f=-5.5!) USER MOD Single : A 94 SER OG : rot 79:sc= 1.21 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -170:sc= 0 (180deg=-0.11) USER MOD Single : A 102 GLN : amide:sc= -0.0399 X(o=-0.04,f=-0.04) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 CYS SG : rot 81:sc= 0.345 USER MOD Single : A 115 HIS : no HD1:sc=-0.00789 X(o=-0.0079,f=0) USER MOD Single : A 118 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 119 GLN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 4.146 -3.632 4.701 1.00 0.00 N ATOM 90 CA GLU A 7 4.403 -2.733 5.835 1.00 0.00 C ATOM 91 C GLU A 7 3.072 -2.148 6.354 1.00 0.00 C ATOM 92 O GLU A 7 2.307 -1.606 5.547 1.00 0.00 O ATOM 93 CB GLU A 7 5.365 -1.612 5.405 1.00 0.00 C ATOM 94 CG GLU A 7 5.838 -0.766 6.593 1.00 0.00 C ATOM 95 CD GLU A 7 6.820 0.320 6.137 1.00 0.00 C ATOM 96 OE1 GLU A 7 6.362 1.370 5.629 1.00 0.00 O ATOM 97 OE2 GLU A 7 8.052 0.129 6.280 1.00 0.00 O ATOM 0 HA GLU A 7 4.869 -3.295 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.230 -2.049 4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.869 -0.969 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.979 -0.304 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.317 -1.407 7.333 1.00 0.00 H new ATOM 104 N PRO A 8 2.781 -2.240 7.668 1.00 0.00 N ATOM 105 CA PRO A 8 1.588 -1.653 8.274 1.00 0.00 C ATOM 106 C PRO A 8 1.747 -0.132 8.419 1.00 0.00 C ATOM 107 O PRO A 8 2.831 0.364 8.728 1.00 0.00 O ATOM 108 CB PRO A 8 1.439 -2.351 9.626 1.00 0.00 C ATOM 109 CG PRO A 8 2.889 -2.631 10.022 1.00 0.00 C ATOM 110 CD PRO A 8 3.552 -2.950 8.684 1.00 0.00 C ATOM 0 HA PRO A 8 0.697 -1.796 7.663 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.935 -1.717 10.356 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.857 -3.269 9.546 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.349 -1.770 10.506 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.964 -3.466 10.719 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.593 -2.627 8.679 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.550 -4.023 8.495 1.00 0.00 H new ATOM 118 N LYS A 9 0.657 0.610 8.194 1.00 0.00 N ATOM 119 CA LYS A 9 0.647 2.081 8.179 1.00 0.00 C ATOM 120 C LYS A 9 -0.223 2.660 9.323 1.00 0.00 C ATOM 121 O LYS A 9 -1.308 2.126 9.578 1.00 0.00 O ATOM 122 CB LYS A 9 0.130 2.559 6.808 1.00 0.00 C ATOM 123 CG LYS A 9 0.876 2.022 5.571 1.00 0.00 C ATOM 124 CD LYS A 9 2.387 2.295 5.584 1.00 0.00 C ATOM 125 CE LYS A 9 2.970 2.030 4.187 1.00 0.00 C ATOM 126 NZ LYS A 9 4.368 2.520 4.060 1.00 0.00 N ATOM 0 H LYS A 9 -0.260 0.200 8.014 1.00 0.00 H new ATOM 0 HA LYS A 9 1.663 2.442 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.920 2.280 6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.173 3.648 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.712 0.947 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.444 2.470 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.578 3.327 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.876 1.657 6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.942 0.960 3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.347 2.516 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.749 2.245 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.382 3.556 4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.952 2.101 4.812 1.00 0.00 H new ATOM 140 N PRO A 10 0.210 3.741 10.012 1.00 0.00 N ATOM 141 CA PRO A 10 -0.503 4.304 11.158 1.00 0.00 C ATOM 142 C PRO A 10 -1.880 4.824 10.754 1.00 0.00 C ATOM 143 O PRO A 10 -2.023 5.551 9.773 1.00 0.00 O ATOM 144 CB PRO A 10 0.401 5.390 11.745 1.00 0.00 C ATOM 145 CG PRO A 10 1.239 5.819 10.546 1.00 0.00 C ATOM 146 CD PRO A 10 1.415 4.519 9.759 1.00 0.00 C ATOM 0 HA PRO A 10 -0.704 3.546 11.915 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.176 6.220 12.152 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.021 5.006 12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.734 6.583 9.954 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.198 6.236 10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.536 4.719 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.305 3.981 10.085 1.00 0.00 H new ATOM 154 N GLY A 11 -2.887 4.405 11.524 1.00 0.00 N ATOM 155 CA GLY A 11 -4.295 4.782 11.386 1.00 0.00 C ATOM 156 C GLY A 11 -5.033 4.134 10.215 1.00 0.00 C ATOM 157 O GLY A 11 -6.235 4.343 10.067 1.00 0.00 O ATOM 0 H GLY A 11 -2.734 3.761 12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.815 4.525 12.309 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.355 5.865 11.277 1.00 0.00 H new ATOM 161 N ASP A 12 -4.332 3.348 9.399 1.00 0.00 N ATOM 162 CA ASP A 12 -4.925 2.489 8.381 1.00 0.00 C ATOM 163 C ASP A 12 -5.247 1.106 8.967 1.00 0.00 C ATOM 164 O ASP A 12 -4.786 0.738 10.054 1.00 0.00 O ATOM 165 CB ASP A 12 -4.012 2.392 7.153 1.00 0.00 C ATOM 166 CG ASP A 12 -3.953 3.717 6.374 1.00 0.00 C ATOM 167 OD1 ASP A 12 -5.014 4.135 5.850 1.00 0.00 O ATOM 168 OD2 ASP A 12 -2.851 4.305 6.253 1.00 0.00 O ATOM 0 H ASP A 12 -3.314 3.291 9.430 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.864 2.933 8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.007 2.112 7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.371 1.600 6.496 1.00 0.00 H new ATOM 173 N LEU A 13 -6.071 0.348 8.242 1.00 0.00 N ATOM 174 CA LEU A 13 -6.595 -0.941 8.691 1.00 0.00 C ATOM 175 C LEU A 13 -6.199 -2.097 7.777 1.00 0.00 C ATOM 176 O LEU A 13 -5.988 -1.948 6.572 1.00 0.00 O ATOM 177 CB LEU A 13 -8.103 -0.841 8.971 1.00 0.00 C ATOM 178 CG LEU A 13 -8.983 -0.287 7.830 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.541 -1.428 6.974 1.00 0.00 C ATOM 180 CD2 LEU A 13 -10.110 0.557 8.439 1.00 0.00 C ATOM 0 H LEU A 13 -6.397 0.617 7.314 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.119 -1.189 9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.468 -1.835 9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.245 -0.210 9.848 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.382 0.342 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.158 -1.016 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.717 -1.994 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.146 -2.088 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.739 0.954 7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.713 -0.064 9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.680 1.382 9.007 1.00 0.00 H new ATOM 192 N ILE A 14 -6.058 -3.248 8.419 1.00 0.00 N ATOM 193 CA ILE A 14 -5.354 -4.442 7.961 1.00 0.00 C ATOM 194 C ILE A 14 -6.331 -5.617 7.999 1.00 0.00 C ATOM 195 O ILE A 14 -6.974 -5.839 9.027 1.00 0.00 O ATOM 196 CB ILE A 14 -4.156 -4.712 8.915 1.00 0.00 C ATOM 197 CG1 ILE A 14 -3.150 -3.537 8.957 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.409 -5.998 8.519 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.192 -3.588 10.154 1.00 0.00 C ATOM 0 H ILE A 14 -6.463 -3.384 9.345 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.980 -4.309 6.946 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.587 -4.827 9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.567 -3.536 8.036 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.703 -2.598 8.985 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.577 -6.161 9.204 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.092 -6.846 8.570 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.028 -5.899 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.517 -2.733 10.116 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.765 -3.557 11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.612 -4.510 10.117 1.00 0.00 H new ATOM 211 N GLU A 15 -6.419 -6.372 6.907 1.00 0.00 N ATOM 212 CA GLU A 15 -7.128 -7.645 6.870 1.00 0.00 C ATOM 213 C GLU A 15 -6.130 -8.737 7.272 1.00 0.00 C ATOM 214 O GLU A 15 -5.079 -8.887 6.644 1.00 0.00 O ATOM 215 CB GLU A 15 -7.706 -7.890 5.469 1.00 0.00 C ATOM 216 CG GLU A 15 -8.578 -9.151 5.428 1.00 0.00 C ATOM 217 CD GLU A 15 -9.340 -9.278 4.094 1.00 0.00 C ATOM 218 OE1 GLU A 15 -8.735 -9.090 3.011 1.00 0.00 O ATOM 219 OE2 GLU A 15 -10.558 -9.580 4.124 1.00 0.00 O ATOM 0 H GLU A 15 -5.996 -6.114 6.016 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.970 -7.647 7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.299 -7.028 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.892 -7.987 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.951 -10.031 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.290 -9.127 6.253 1.00 0.00 H new ATOM 226 N ILE A 16 -6.436 -9.470 8.341 1.00 0.00 N ATOM 227 CA ILE A 16 -5.599 -10.531 8.914 1.00 0.00 C ATOM 228 C ILE A 16 -6.286 -11.876 8.668 1.00 0.00 C ATOM 229 O ILE A 16 -7.443 -12.083 9.045 1.00 0.00 O ATOM 230 CB ILE A 16 -5.342 -10.267 10.420 1.00 0.00 C ATOM 231 CG1 ILE A 16 -4.684 -8.879 10.632 1.00 0.00 C ATOM 232 CG2 ILE A 16 -4.452 -11.389 10.994 1.00 0.00 C ATOM 233 CD1 ILE A 16 -4.483 -8.473 12.096 1.00 0.00 C ATOM 0 H ILE A 16 -7.307 -9.338 8.854 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.621 -10.547 8.433 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.296 -10.264 10.948 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.715 -8.873 10.133 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.299 -8.124 10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.271 -11.204 12.053 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.954 -12.349 10.874 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.501 -11.408 10.461 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.017 -7.489 12.140 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.449 -8.440 12.600 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.840 -9.201 12.591 1.00 0.00 H new ATOM 245 N PHE A 17 -5.571 -12.800 8.027 1.00 0.00 N ATOM 246 CA PHE A 17 -6.075 -14.096 7.577 1.00 0.00 C ATOM 247 C PHE A 17 -5.857 -15.144 8.679 1.00 0.00 C ATOM 248 O PHE A 17 -5.064 -16.075 8.515 1.00 0.00 O ATOM 249 CB PHE A 17 -5.397 -14.452 6.237 1.00 0.00 C ATOM 250 CG PHE A 17 -5.744 -13.544 5.062 1.00 0.00 C ATOM 251 CD1 PHE A 17 -5.225 -12.237 4.979 1.00 0.00 C ATOM 252 CD2 PHE A 17 -6.586 -14.017 4.035 1.00 0.00 C ATOM 253 CE1 PHE A 17 -5.565 -11.399 3.902 1.00 0.00 C ATOM 254 CE2 PHE A 17 -6.923 -13.183 2.953 1.00 0.00 C ATOM 255 CZ PHE A 17 -6.419 -11.871 2.889 1.00 0.00 C ATOM 0 H PHE A 17 -4.587 -12.660 7.798 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.149 -14.066 7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.317 -14.434 6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.666 -15.475 5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.560 -11.875 5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.974 -15.024 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.171 -10.395 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.570 -13.551 2.170 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.687 -11.228 2.064 1.00 0.00 H new ATOM 265 N ARG A 18 -6.522 -14.948 9.828 1.00 0.00 N ATOM 266 CA ARG A 18 -6.276 -15.712 11.061 1.00 0.00 C ATOM 267 C ARG A 18 -6.353 -17.235 10.889 1.00 0.00 C ATOM 268 O ARG A 18 -5.375 -17.925 11.176 1.00 0.00 O ATOM 269 CB ARG A 18 -7.156 -15.205 12.228 1.00 0.00 C ATOM 270 CG ARG A 18 -6.297 -14.664 13.388 1.00 0.00 C ATOM 271 CD ARG A 18 -5.468 -15.749 14.095 1.00 0.00 C ATOM 272 NE ARG A 18 -4.449 -15.149 14.973 1.00 0.00 N ATOM 273 CZ ARG A 18 -3.587 -15.796 15.749 1.00 0.00 C ATOM 274 NH1 ARG A 18 -3.578 -17.111 15.847 1.00 0.00 N ATOM 275 NH2 ARG A 18 -2.708 -15.111 16.448 1.00 0.00 N ATOM 0 H ARG A 18 -7.255 -14.246 9.928 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.235 -15.519 11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.821 -14.420 11.869 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.787 -16.017 12.589 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.625 -13.896 13.005 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.948 -14.182 14.118 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.126 -16.390 14.682 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.985 -16.384 13.352 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.400 -14.130 14.986 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.249 -17.667 15.316 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.900 -17.573 16.454 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.693 -14.093 16.391 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.042 -15.598 17.047 1.00 0.00 H new ATOM 289 N LEU A 19 -7.507 -17.771 10.490 1.00 0.00 N ATOM 290 CA LEU A 19 -7.807 -19.201 10.659 1.00 0.00 C ATOM 291 C LEU A 19 -8.720 -19.662 9.513 1.00 0.00 C ATOM 292 O LEU A 19 -8.422 -19.366 8.356 1.00 0.00 O ATOM 293 CB LEU A 19 -8.342 -19.371 12.109 1.00 0.00 C ATOM 294 CG LEU A 19 -7.277 -19.541 13.219 1.00 0.00 C ATOM 295 CD1 LEU A 19 -7.981 -19.646 14.578 1.00 0.00 C ATOM 296 CD2 LEU A 19 -6.397 -20.785 13.011 1.00 0.00 C ATOM 0 H LEU A 19 -8.254 -17.238 10.046 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.944 -19.862 10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.953 -18.502 12.352 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.000 -20.240 12.131 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.624 -18.669 13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.237 -19.766 15.365 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.558 -18.739 14.760 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.649 -20.507 14.576 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.668 -20.854 13.819 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.023 -21.677 13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.875 -20.706 12.057 1.00 0.00 H new ATOM 308 N GLY A 20 -9.842 -20.335 9.794 1.00 0.00 N ATOM 309 CA GLY A 20 -10.894 -20.634 8.806 1.00 0.00 C ATOM 310 C GLY A 20 -11.770 -19.406 8.523 1.00 0.00 C ATOM 311 O GLY A 20 -12.975 -19.537 8.312 1.00 0.00 O ATOM 0 H GLY A 20 -10.051 -20.694 10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.436 -20.976 7.878 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.517 -21.449 9.173 1.00 0.00 H new ATOM 315 N TYR A 21 -11.153 -18.222 8.567 1.00 0.00 N ATOM 316 CA TYR A 21 -11.744 -16.885 8.547 1.00 0.00 C ATOM 317 C TYR A 21 -10.671 -15.780 8.484 1.00 0.00 C ATOM 318 O TYR A 21 -9.525 -15.977 8.905 1.00 0.00 O ATOM 319 CB TYR A 21 -12.651 -16.678 9.773 1.00 0.00 C ATOM 320 CG TYR A 21 -12.027 -16.886 11.144 1.00 0.00 C ATOM 321 CD1 TYR A 21 -11.303 -15.844 11.759 1.00 0.00 C ATOM 322 CD2 TYR A 21 -12.252 -18.089 11.841 1.00 0.00 C ATOM 323 CE1 TYR A 21 -10.832 -15.993 13.077 1.00 0.00 C ATOM 324 CE2 TYR A 21 -11.792 -18.239 13.163 1.00 0.00 C ATOM 325 CZ TYR A 21 -11.098 -17.182 13.793 1.00 0.00 C ATOM 326 OH TYR A 21 -10.704 -17.298 15.091 1.00 0.00 O ATOM 0 H TYR A 21 -10.136 -18.173 8.622 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.346 -16.811 7.641 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -13.047 -15.663 9.733 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.500 -17.355 9.683 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.109 -14.930 11.218 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.779 -18.899 11.360 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.267 -15.198 13.541 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.970 -19.162 13.695 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.966 -18.178 15.435 1.00 0.00 H new ATOM 336 N GLU A 22 -11.085 -14.597 8.022 1.00 0.00 N ATOM 337 CA GLU A 22 -10.319 -13.349 8.049 1.00 0.00 C ATOM 338 C GLU A 22 -10.989 -12.346 9.010 1.00 0.00 C ATOM 339 O GLU A 22 -12.201 -12.407 9.226 1.00 0.00 O ATOM 340 CB GLU A 22 -10.237 -12.713 6.648 1.00 0.00 C ATOM 341 CG GLU A 22 -9.630 -13.597 5.549 1.00 0.00 C ATOM 342 CD GLU A 22 -10.575 -14.705 5.055 1.00 0.00 C ATOM 343 OE1 GLU A 22 -11.675 -14.394 4.537 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.219 -15.903 5.163 1.00 0.00 O ATOM 0 H GLU A 22 -12.006 -14.478 7.600 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.310 -13.584 8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.242 -12.423 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.649 -11.798 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.348 -12.969 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.715 -14.054 5.926 1.00 0.00 H new ATOM 351 N HIS A 23 -10.229 -11.392 9.554 1.00 0.00 N ATOM 352 CA HIS A 23 -10.768 -10.304 10.388 1.00 0.00 C ATOM 353 C HIS A 23 -9.934 -9.007 10.296 1.00 0.00 C ATOM 354 O HIS A 23 -8.807 -9.016 9.794 1.00 0.00 O ATOM 355 CB HIS A 23 -10.968 -10.790 11.840 1.00 0.00 C ATOM 356 CG HIS A 23 -9.717 -10.895 12.682 1.00 0.00 C ATOM 357 ND1 HIS A 23 -9.567 -10.384 13.951 1.00 0.00 N ATOM 358 CD2 HIS A 23 -8.550 -11.541 12.371 1.00 0.00 C ATOM 359 CE1 HIS A 23 -8.335 -10.701 14.385 1.00 0.00 C ATOM 360 NE2 HIS A 23 -7.671 -11.406 13.453 1.00 0.00 N ATOM 0 H HIS A 23 -9.217 -11.349 9.430 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.747 -10.035 9.991 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.661 -10.111 12.337 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.446 -11.769 11.812 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -10.268 -9.857 14.471 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.343 -12.065 11.449 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.934 -10.427 15.350 1.00 0.00 H new ATOM 368 N TRP A 24 -10.499 -7.883 10.756 1.00 0.00 N ATOM 369 CA TRP A 24 -9.895 -6.550 10.632 1.00 0.00 C ATOM 370 C TRP A 24 -9.148 -6.083 11.890 1.00 0.00 C ATOM 371 O TRP A 24 -9.560 -6.360 13.021 1.00 0.00 O ATOM 372 CB TRP A 24 -10.986 -5.520 10.311 1.00 0.00 C ATOM 373 CG TRP A 24 -11.626 -5.621 8.965 1.00 0.00 C ATOM 374 CD1 TRP A 24 -12.915 -5.948 8.747 1.00 0.00 C ATOM 375 CD2 TRP A 24 -11.059 -5.331 7.651 1.00 0.00 C ATOM 376 NE1 TRP A 24 -13.182 -5.914 7.391 1.00 0.00 N ATOM 377 CE2 TRP A 24 -12.075 -5.522 6.665 1.00 0.00 C ATOM 378 CE3 TRP A 24 -9.797 -4.900 7.192 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -11.848 -5.300 5.299 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -9.556 -4.668 5.823 1.00 0.00 C ATOM 381 CH2 TRP A 24 -10.576 -4.870 4.876 1.00 0.00 C ATOM 0 H TRP A 24 -11.401 -7.874 11.231 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.161 -6.628 9.830 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -11.767 -5.604 11.067 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -10.554 -4.524 10.409 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.631 -6.199 9.515 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -14.085 -6.149 6.978 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -9.000 -4.745 7.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -12.639 -5.457 4.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.582 -4.333 5.499 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.384 -4.696 3.828 1.00 0.00 H new ATOM 392 N ALA A 25 -8.112 -5.263 11.681 1.00 0.00 N ATOM 393 CA ALA A 25 -7.405 -4.536 12.738 1.00 0.00 C ATOM 394 C ALA A 25 -6.921 -3.148 12.280 1.00 0.00 C ATOM 395 O ALA A 25 -6.444 -3.003 11.160 1.00 0.00 O ATOM 396 CB ALA A 25 -6.234 -5.403 13.223 1.00 0.00 C ATOM 0 H ALA A 25 -7.734 -5.083 10.751 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.098 -4.350 13.558 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.695 -4.878 14.011 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.617 -6.347 13.612 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.558 -5.601 12.391 1.00 0.00 H new ATOM 402 N LEU A 26 -7.022 -2.139 13.149 1.00 0.00 N ATOM 403 CA LEU A 26 -6.594 -0.749 12.939 1.00 0.00 C ATOM 404 C LEU A 26 -5.258 -0.523 13.662 1.00 0.00 C ATOM 405 O LEU A 26 -5.200 -0.632 14.885 1.00 0.00 O ATOM 406 CB LEU A 26 -7.713 0.153 13.511 1.00 0.00 C ATOM 407 CG LEU A 26 -7.734 1.649 13.128 1.00 0.00 C ATOM 408 CD1 LEU A 26 -6.423 2.405 13.378 1.00 0.00 C ATOM 409 CD2 LEU A 26 -8.160 1.845 11.668 1.00 0.00 C ATOM 0 H LEU A 26 -7.429 -2.276 14.074 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.439 -0.518 11.885 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.669 -0.277 13.212 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.662 0.092 14.598 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.471 2.083 13.803 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.540 3.446 13.077 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.173 2.360 14.438 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.623 1.947 12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.165 2.909 11.430 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.459 1.329 11.012 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.160 1.436 11.523 1.00 0.00 H new ATOM 421 N TYR A 27 -4.193 -0.203 12.929 1.00 0.00 N ATOM 422 CA TYR A 27 -2.842 0.024 13.463 1.00 0.00 C ATOM 423 C TYR A 27 -2.719 1.405 14.145 1.00 0.00 C ATOM 424 O TYR A 27 -2.365 2.403 13.517 1.00 0.00 O ATOM 425 CB TYR A 27 -1.872 -0.201 12.294 1.00 0.00 C ATOM 426 CG TYR A 27 -0.400 -0.361 12.627 1.00 0.00 C ATOM 427 CD1 TYR A 27 0.087 -1.592 13.113 1.00 0.00 C ATOM 428 CD2 TYR A 27 0.506 0.672 12.330 1.00 0.00 C ATOM 429 CE1 TYR A 27 1.470 -1.794 13.284 1.00 0.00 C ATOM 430 CE2 TYR A 27 1.889 0.481 12.490 1.00 0.00 C ATOM 431 CZ TYR A 27 2.377 -0.759 12.952 1.00 0.00 C ATOM 432 OH TYR A 27 3.721 -0.955 13.054 1.00 0.00 O ATOM 0 H TYR A 27 -4.243 -0.090 11.917 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.598 -0.672 14.265 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.194 -1.093 11.756 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.972 0.639 11.607 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.605 -2.385 13.356 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.135 1.622 11.975 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.837 -2.735 13.667 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.576 1.282 12.260 1.00 0.00 H new ATOM 0 HH TYR A 27 4.192 -0.139 12.785 1.00 0.00 H new ATOM 442 N ILE A 28 -3.062 1.482 15.437 1.00 0.00 N ATOM 443 CA ILE A 28 -3.136 2.748 16.208 1.00 0.00 C ATOM 444 C ILE A 28 -1.772 3.339 16.591 1.00 0.00 C ATOM 445 O ILE A 28 -1.680 4.542 16.846 1.00 0.00 O ATOM 446 CB ILE A 28 -3.994 2.599 17.488 1.00 0.00 C ATOM 447 CG1 ILE A 28 -3.574 1.398 18.367 1.00 0.00 C ATOM 448 CG2 ILE A 28 -5.483 2.554 17.114 1.00 0.00 C ATOM 449 CD1 ILE A 28 -4.023 1.540 19.827 1.00 0.00 C ATOM 0 H ILE A 28 -3.301 0.660 15.992 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.611 3.446 15.519 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.816 3.477 18.109 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.996 0.484 17.950 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.490 1.292 18.334 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.082 2.449 18.018 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.758 3.476 16.602 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.667 1.705 16.456 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.699 0.667 20.394 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.580 2.437 20.258 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.110 1.617 19.868 1.00 0.00 H new ATOM 461 N GLY A 29 -0.726 2.513 16.652 1.00 0.00 N ATOM 462 CA GLY A 29 0.638 2.923 16.991 1.00 0.00 C ATOM 463 C GLY A 29 1.671 2.054 16.291 1.00 0.00 C ATOM 464 O GLY A 29 1.316 1.103 15.599 1.00 0.00 O ATOM 0 H GLY A 29 -0.806 1.514 16.462 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.787 3.965 16.709 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.780 2.861 18.070 1.00 0.00 H new ATOM 468 N ASP A 30 2.949 2.368 16.495 1.00 0.00 N ATOM 469 CA ASP A 30 4.070 1.638 15.901 1.00 0.00 C ATOM 470 C ASP A 30 4.215 0.232 16.534 1.00 0.00 C ATOM 471 O ASP A 30 5.001 0.015 17.459 1.00 0.00 O ATOM 472 CB ASP A 30 5.347 2.487 16.021 1.00 0.00 C ATOM 473 CG ASP A 30 6.578 1.796 15.411 1.00 0.00 C ATOM 474 OD1 ASP A 30 6.495 1.329 14.250 1.00 0.00 O ATOM 475 OD2 ASP A 30 7.641 1.761 16.077 1.00 0.00 O ATOM 0 H ASP A 30 3.240 3.147 17.085 1.00 0.00 H new ATOM 0 HA ASP A 30 3.882 1.468 14.841 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.190 3.445 15.525 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.539 2.701 17.072 1.00 0.00 H new ATOM 480 N GLY A 31 3.405 -0.711 16.043 1.00 0.00 N ATOM 481 CA GLY A 31 3.276 -2.099 16.500 1.00 0.00 C ATOM 482 C GLY A 31 1.953 -2.421 17.200 1.00 0.00 C ATOM 483 O GLY A 31 1.656 -3.598 17.394 1.00 0.00 O ATOM 0 H GLY A 31 2.779 -0.512 15.263 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.388 -2.762 15.642 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.096 -2.320 17.183 1.00 0.00 H new ATOM 487 N TYR A 32 1.145 -1.418 17.556 1.00 0.00 N ATOM 488 CA TYR A 32 -0.100 -1.577 18.327 1.00 0.00 C ATOM 489 C TYR A 32 -1.364 -1.508 17.454 1.00 0.00 C ATOM 490 O TYR A 32 -1.464 -0.672 16.557 1.00 0.00 O ATOM 491 CB TYR A 32 -0.152 -0.519 19.438 1.00 0.00 C ATOM 492 CG TYR A 32 0.858 -0.764 20.541 1.00 0.00 C ATOM 493 CD1 TYR A 32 0.590 -1.730 21.530 1.00 0.00 C ATOM 494 CD2 TYR A 32 2.070 -0.046 20.568 1.00 0.00 C ATOM 495 CE1 TYR A 32 1.528 -1.977 22.552 1.00 0.00 C ATOM 496 CE2 TYR A 32 3.014 -0.291 21.584 1.00 0.00 C ATOM 497 CZ TYR A 32 2.744 -1.257 22.582 1.00 0.00 C ATOM 498 OH TYR A 32 3.659 -1.488 23.562 1.00 0.00 O ATOM 0 H TYR A 32 1.340 -0.447 17.312 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.087 -2.576 18.763 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.025 0.465 19.003 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.153 -0.501 19.868 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.337 -2.283 21.505 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.275 0.694 19.808 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.318 -2.716 23.312 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.944 0.258 21.601 1.00 0.00 H new ATOM 0 HH TYR A 32 4.436 -0.906 23.428 1.00 0.00 H new ATOM 508 N VAL A 33 -2.354 -2.358 17.752 1.00 0.00 N ATOM 509 CA VAL A 33 -3.590 -2.508 16.968 1.00 0.00 C ATOM 510 C VAL A 33 -4.852 -2.590 17.822 1.00 0.00 C ATOM 511 O VAL A 33 -4.835 -3.110 18.934 1.00 0.00 O ATOM 512 CB VAL A 33 -3.574 -3.763 16.064 1.00 0.00 C ATOM 513 CG1 VAL A 33 -2.594 -3.617 14.899 1.00 0.00 C ATOM 514 CG2 VAL A 33 -3.262 -5.075 16.805 1.00 0.00 C ATOM 0 H VAL A 33 -2.319 -2.976 18.563 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.618 -1.601 16.364 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.596 -3.829 15.691 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.615 -4.521 14.290 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.880 -2.761 14.288 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.587 -3.465 15.288 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.271 -5.904 16.097 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.279 -5.005 17.270 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.015 -5.247 17.574 1.00 0.00 H new ATOM 524 N ILE A 34 -5.957 -2.104 17.255 1.00 0.00 N ATOM 525 CA ILE A 34 -7.322 -2.293 17.768 1.00 0.00 C ATOM 526 C ILE A 34 -8.000 -3.265 16.801 1.00 0.00 C ATOM 527 O ILE A 34 -8.029 -3.008 15.602 1.00 0.00 O ATOM 528 CB ILE A 34 -8.082 -0.952 17.846 1.00 0.00 C ATOM 529 CG1 ILE A 34 -7.387 0.059 18.781 1.00 0.00 C ATOM 530 CG2 ILE A 34 -9.544 -1.169 18.279 1.00 0.00 C ATOM 531 CD1 ILE A 34 -7.138 -0.414 20.219 1.00 0.00 C ATOM 0 H ILE A 34 -5.930 -1.550 16.399 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.314 -2.688 18.784 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.074 -0.527 16.842 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.429 0.333 18.339 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.992 0.965 18.817 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.056 -0.208 18.326 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.046 -1.813 17.557 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.566 -1.640 19.262 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.645 0.378 20.782 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.089 -0.658 20.692 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.502 -1.299 20.206 1.00 0.00 H new ATOM 543 N HIS A 35 -8.509 -4.392 17.274 1.00 0.00 N ATOM 544 CA HIS A 35 -8.984 -5.480 16.415 1.00 0.00 C ATOM 545 C HIS A 35 -10.301 -6.068 16.930 1.00 0.00 C ATOM 546 O HIS A 35 -10.548 -6.096 18.135 1.00 0.00 O ATOM 547 CB HIS A 35 -7.887 -6.559 16.320 1.00 0.00 C ATOM 548 CG HIS A 35 -7.585 -7.251 17.629 1.00 0.00 C ATOM 549 ND1 HIS A 35 -8.043 -8.488 18.027 1.00 0.00 N ATOM 550 CD2 HIS A 35 -6.827 -6.756 18.656 1.00 0.00 C ATOM 551 CE1 HIS A 35 -7.566 -8.731 19.258 1.00 0.00 C ATOM 552 NE2 HIS A 35 -6.821 -7.698 19.691 1.00 0.00 N ATOM 0 H HIS A 35 -8.607 -4.584 18.271 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.187 -5.085 15.420 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.191 -7.307 15.588 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.972 -6.100 15.945 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.640 -9.110 17.482 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.321 -5.802 18.666 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.754 -9.632 19.823 1.00 0.00 H new ATOM 560 N LEU A 36 -11.138 -6.571 16.017 1.00 0.00 N ATOM 561 CA LEU A 36 -12.386 -7.242 16.370 1.00 0.00 C ATOM 562 C LEU A 36 -12.140 -8.740 16.565 1.00 0.00 C ATOM 563 O LEU A 36 -11.732 -9.432 15.632 1.00 0.00 O ATOM 564 CB LEU A 36 -13.420 -6.950 15.266 1.00 0.00 C ATOM 565 CG LEU A 36 -14.802 -7.603 15.477 1.00 0.00 C ATOM 566 CD1 LEU A 36 -15.459 -7.139 16.783 1.00 0.00 C ATOM 567 CD2 LEU A 36 -15.707 -7.247 14.291 1.00 0.00 C ATOM 0 H LEU A 36 -10.966 -6.523 15.013 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.778 -6.867 17.316 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.553 -5.871 15.190 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.016 -7.290 14.312 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.664 -8.682 15.543 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.430 -7.622 16.893 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.822 -7.407 17.626 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.592 -6.057 16.759 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.687 -7.704 14.431 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.817 -6.164 14.230 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.261 -7.619 13.369 1.00 0.00 H new ATOM 579 N ALA A 37 -12.403 -9.243 17.769 1.00 0.00 N ATOM 580 CA ALA A 37 -12.442 -10.672 18.068 1.00 0.00 C ATOM 581 C ALA A 37 -13.817 -11.225 17.620 1.00 0.00 C ATOM 582 O ALA A 37 -14.834 -10.598 17.941 1.00 0.00 O ATOM 583 CB ALA A 37 -12.192 -10.861 19.572 1.00 0.00 C ATOM 0 H ALA A 37 -12.599 -8.657 18.580 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.669 -11.223 17.532 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.218 -11.923 19.814 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.216 -10.453 19.833 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.965 -10.341 20.138 1.00 0.00 H new ATOM 589 N PRO A 38 -13.877 -12.342 16.864 1.00 0.00 N ATOM 590 CA PRO A 38 -15.105 -12.811 16.220 1.00 0.00 C ATOM 591 C PRO A 38 -16.104 -13.435 17.220 1.00 0.00 C ATOM 592 O PRO A 38 -15.694 -13.885 18.293 1.00 0.00 O ATOM 593 CB PRO A 38 -14.645 -13.828 15.168 1.00 0.00 C ATOM 594 CG PRO A 38 -13.360 -14.393 15.768 1.00 0.00 C ATOM 595 CD PRO A 38 -12.751 -13.179 16.463 1.00 0.00 C ATOM 0 HA PRO A 38 -15.652 -11.981 15.774 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.391 -14.607 15.007 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.465 -13.355 14.203 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.563 -15.202 16.470 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.698 -14.795 15.001 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.160 -13.480 17.328 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.082 -12.639 15.792 1.00 0.00 H new ATOM 603 N PRO A 39 -17.405 -13.505 16.861 1.00 0.00 N ATOM 604 CA PRO A 39 -18.452 -14.096 17.696 1.00 0.00 C ATOM 605 C PRO A 39 -18.472 -15.634 17.656 1.00 0.00 C ATOM 606 O PRO A 39 -19.142 -16.248 18.481 1.00 0.00 O ATOM 607 CB PRO A 39 -19.763 -13.524 17.146 1.00 0.00 C ATOM 608 CG PRO A 39 -19.466 -13.340 15.658 1.00 0.00 C ATOM 609 CD PRO A 39 -17.982 -12.971 15.633 1.00 0.00 C ATOM 0 HA PRO A 39 -18.284 -13.852 18.745 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -20.599 -14.204 17.309 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -20.023 -12.580 17.625 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -19.662 -14.252 15.094 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -20.082 -12.555 15.220 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.491 -13.395 14.757 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.851 -11.890 15.580 1.00 0.00 H new ATOM 842 N SER A 57 -19.469 -14.188 22.025 1.00 0.00 N ATOM 843 CA SER A 57 -19.841 -12.849 21.532 1.00 0.00 C ATOM 844 C SER A 57 -18.614 -12.161 20.897 1.00 0.00 C ATOM 845 O SER A 57 -17.473 -12.472 21.253 1.00 0.00 O ATOM 846 CB SER A 57 -20.357 -11.970 22.682 1.00 0.00 C ATOM 847 OG SER A 57 -21.423 -12.590 23.391 1.00 0.00 O ATOM 0 HA SER A 57 -20.629 -12.970 20.789 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.539 -11.757 23.371 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.695 -11.013 22.283 1.00 0.00 H new ATOM 0 HG SER A 57 -21.354 -13.563 23.299 1.00 0.00 H new ATOM 853 N ALA A 58 -18.824 -11.215 19.972 1.00 0.00 N ATOM 854 CA ALA A 58 -17.736 -10.424 19.391 1.00 0.00 C ATOM 855 C ALA A 58 -17.316 -9.280 20.330 1.00 0.00 C ATOM 856 O ALA A 58 -18.150 -8.739 21.060 1.00 0.00 O ATOM 857 CB ALA A 58 -18.171 -9.894 18.019 1.00 0.00 C ATOM 0 H ALA A 58 -19.747 -10.979 19.609 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.862 -11.062 19.261 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.364 -9.305 17.584 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -18.403 -10.732 17.362 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -19.056 -9.268 18.135 1.00 0.00 H new ATOM 863 N GLU A 59 -16.047 -8.872 20.281 1.00 0.00 N ATOM 864 CA GLU A 59 -15.486 -7.845 21.168 1.00 0.00 C ATOM 865 C GLU A 59 -14.359 -7.082 20.466 1.00 0.00 C ATOM 866 O GLU A 59 -13.483 -7.698 19.864 1.00 0.00 O ATOM 867 CB GLU A 59 -14.981 -8.509 22.466 1.00 0.00 C ATOM 868 CG GLU A 59 -14.526 -7.504 23.534 1.00 0.00 C ATOM 869 CD GLU A 59 -14.088 -8.212 24.828 1.00 0.00 C ATOM 870 OE1 GLU A 59 -14.894 -8.972 25.416 1.00 0.00 O ATOM 871 OE2 GLU A 59 -12.942 -7.993 25.284 1.00 0.00 O ATOM 0 H GLU A 59 -15.370 -9.248 19.617 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.264 -7.124 21.421 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.775 -9.131 22.879 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.150 -9.172 22.225 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.699 -6.909 23.146 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.340 -6.813 23.754 1.00 0.00 H new ATOM 878 N VAL A 60 -14.364 -5.752 20.554 1.00 0.00 N ATOM 879 CA VAL A 60 -13.274 -4.895 20.058 1.00 0.00 C ATOM 880 C VAL A 60 -12.192 -4.792 21.144 1.00 0.00 C ATOM 881 O VAL A 60 -12.476 -4.357 22.261 1.00 0.00 O ATOM 882 CB VAL A 60 -13.769 -3.488 19.652 1.00 0.00 C ATOM 883 CG1 VAL A 60 -12.631 -2.697 18.987 1.00 0.00 C ATOM 884 CG2 VAL A 60 -14.950 -3.533 18.666 1.00 0.00 C ATOM 0 H VAL A 60 -15.131 -5.228 20.975 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.863 -5.351 19.157 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.102 -3.006 20.571 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.992 -1.708 18.705 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.801 -2.595 19.687 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.292 -3.226 18.097 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.255 -2.517 18.417 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -14.646 -4.054 17.758 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.787 -4.061 19.124 1.00 0.00 H new ATOM 894 N LYS A 61 -10.957 -5.190 20.818 1.00 0.00 N ATOM 895 CA LYS A 61 -9.831 -5.364 21.757 1.00 0.00 C ATOM 896 C LYS A 61 -8.555 -4.614 21.310 1.00 0.00 C ATOM 897 O LYS A 61 -8.380 -4.333 20.123 1.00 0.00 O ATOM 898 CB LYS A 61 -9.548 -6.876 21.894 1.00 0.00 C ATOM 899 CG LYS A 61 -10.737 -7.652 22.487 1.00 0.00 C ATOM 900 CD LYS A 61 -10.432 -9.141 22.722 1.00 0.00 C ATOM 901 CE LYS A 61 -9.486 -9.341 23.917 1.00 0.00 C ATOM 902 NZ LYS A 61 -9.255 -10.783 24.205 1.00 0.00 N ATOM 0 H LYS A 61 -10.699 -5.410 19.856 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.113 -4.932 22.717 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.305 -7.286 20.914 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.673 -7.022 22.527 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.027 -7.193 23.433 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.591 -7.564 21.815 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.362 -9.680 22.899 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.982 -9.567 21.825 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.533 -8.854 23.711 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.907 -8.857 24.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.612 -10.876 25.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.161 -11.242 24.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.830 -11.239 23.373 1.00 0.00 H new ATOM 916 N ARG A 62 -7.654 -4.293 22.256 1.00 0.00 N ATOM 917 CA ARG A 62 -6.305 -3.746 21.994 1.00 0.00 C ATOM 918 C ARG A 62 -5.235 -4.835 22.173 1.00 0.00 C ATOM 919 O ARG A 62 -5.306 -5.619 23.119 1.00 0.00 O ATOM 920 CB ARG A 62 -6.024 -2.538 22.916 1.00 0.00 C ATOM 921 CG ARG A 62 -4.634 -1.919 22.667 1.00 0.00 C ATOM 922 CD ARG A 62 -4.448 -0.583 23.394 1.00 0.00 C ATOM 923 NE ARG A 62 -3.075 -0.075 23.197 1.00 0.00 N ATOM 924 CZ ARG A 62 -2.629 1.144 23.482 1.00 0.00 C ATOM 925 NH1 ARG A 62 -3.417 2.075 23.976 1.00 0.00 N ATOM 926 NH2 ARG A 62 -1.366 1.444 23.276 1.00 0.00 N ATOM 0 H ARG A 62 -7.847 -4.409 23.251 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.265 -3.402 20.961 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.790 -1.779 22.759 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.097 -2.854 23.957 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.865 -2.618 22.995 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.493 -1.769 21.597 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.169 0.145 23.021 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.646 -0.710 24.458 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.399 -0.728 22.801 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.401 1.870 24.151 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.044 3.001 24.184 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.730 0.742 22.898 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.022 2.379 23.494 1.00 0.00 H new ATOM 940 N GLU A 63 -4.233 -4.844 21.289 1.00 0.00 N ATOM 941 CA GLU A 63 -3.157 -5.843 21.229 1.00 0.00 C ATOM 942 C GLU A 63 -2.039 -5.351 20.288 1.00 0.00 C ATOM 943 O GLU A 63 -2.142 -4.271 19.704 1.00 0.00 O ATOM 944 CB GLU A 63 -3.775 -7.193 20.796 1.00 0.00 C ATOM 945 CG GLU A 63 -2.889 -8.440 20.857 1.00 0.00 C ATOM 946 CD GLU A 63 -2.114 -8.541 22.179 1.00 0.00 C ATOM 947 OE1 GLU A 63 -2.670 -9.029 23.190 1.00 0.00 O ATOM 948 OE2 GLU A 63 -0.945 -8.086 22.207 1.00 0.00 O ATOM 0 H GLU A 63 -4.144 -4.129 20.567 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.690 -5.988 22.203 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.651 -7.375 21.419 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.130 -7.085 19.771 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.508 -9.329 20.732 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.184 -8.423 20.026 1.00 0.00 H new ATOM 955 N ARG A 64 -0.965 -6.125 20.130 1.00 0.00 N ATOM 956 CA ARG A 64 0.139 -5.864 19.200 1.00 0.00 C ATOM 957 C ARG A 64 -0.073 -6.637 17.890 1.00 0.00 C ATOM 958 O ARG A 64 -0.512 -7.791 17.920 1.00 0.00 O ATOM 959 CB ARG A 64 1.462 -6.272 19.868 1.00 0.00 C ATOM 960 CG ARG A 64 1.775 -5.425 21.123 1.00 0.00 C ATOM 961 CD ARG A 64 2.539 -6.230 22.181 1.00 0.00 C ATOM 962 NE ARG A 64 1.691 -7.302 22.731 1.00 0.00 N ATOM 963 CZ ARG A 64 2.030 -8.298 23.533 1.00 0.00 C ATOM 964 NH1 ARG A 64 3.244 -8.444 24.023 1.00 0.00 N ATOM 965 NH2 ARG A 64 1.092 -9.164 23.833 1.00 0.00 N ATOM 0 H ARG A 64 -0.833 -6.983 20.665 1.00 0.00 H new ATOM 0 HA ARG A 64 0.173 -4.802 18.958 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.416 -7.325 20.146 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.276 -6.167 19.150 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.363 -4.554 20.835 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.844 -5.054 21.552 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.437 -6.661 21.739 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.864 -5.568 22.984 1.00 0.00 H new ATOM 0 HE ARG A 64 0.709 -7.272 22.456 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.973 -7.771 23.788 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.455 -9.230 24.638 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.153 -9.051 23.452 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.302 -9.951 24.448 1.00 0.00 H new ATOM 979 N LEU A 65 0.276 -6.050 16.737 1.00 0.00 N ATOM 980 CA LEU A 65 0.047 -6.662 15.412 1.00 0.00 C ATOM 981 C LEU A 65 0.680 -8.055 15.331 1.00 0.00 C ATOM 982 O LEU A 65 -0.015 -9.013 15.004 1.00 0.00 O ATOM 983 CB LEU A 65 0.581 -5.721 14.307 1.00 0.00 C ATOM 984 CG LEU A 65 0.385 -6.254 12.866 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.093 -6.379 12.471 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.082 -5.321 11.871 1.00 0.00 C ATOM 0 H LEU A 65 0.726 -5.136 16.692 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.024 -6.795 15.260 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.082 -4.756 14.396 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.644 -5.547 14.476 1.00 0.00 H new ATOM 0 HG LEU A 65 0.822 -7.252 12.839 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.166 -6.757 11.451 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.594 -7.068 13.151 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.569 -5.400 12.530 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.942 -5.699 10.858 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.653 -4.322 11.948 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.147 -5.277 12.098 1.00 0.00 H new ATOM 998 N GLU A 66 1.951 -8.180 15.717 1.00 0.00 N ATOM 999 CA GLU A 66 2.675 -9.460 15.711 1.00 0.00 C ATOM 1000 C GLU A 66 2.019 -10.551 16.585 1.00 0.00 C ATOM 1001 O GLU A 66 2.171 -11.733 16.286 1.00 0.00 O ATOM 1002 CB GLU A 66 4.147 -9.248 16.107 1.00 0.00 C ATOM 1003 CG GLU A 66 4.354 -8.770 17.551 1.00 0.00 C ATOM 1004 CD GLU A 66 5.844 -8.543 17.842 1.00 0.00 C ATOM 1005 OE1 GLU A 66 6.541 -9.503 18.254 1.00 0.00 O ATOM 1006 OE2 GLU A 66 6.328 -7.402 17.666 1.00 0.00 O ATOM 0 H GLU A 66 2.513 -7.394 16.045 1.00 0.00 H new ATOM 0 HA GLU A 66 2.626 -9.833 14.688 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.687 -10.185 15.967 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.591 -8.519 15.429 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.802 -7.845 17.715 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.952 -9.509 18.244 1.00 0.00 H new ATOM 1013 N ASP A 67 1.250 -10.180 17.620 1.00 0.00 N ATOM 1014 CA ASP A 67 0.504 -11.126 18.459 1.00 0.00 C ATOM 1015 C ASP A 67 -0.863 -11.466 17.840 1.00 0.00 C ATOM 1016 O ASP A 67 -1.231 -12.641 17.782 1.00 0.00 O ATOM 1017 CB ASP A 67 0.353 -10.549 19.872 1.00 0.00 C ATOM 1018 CG ASP A 67 -0.283 -11.571 20.827 1.00 0.00 C ATOM 1019 OD1 ASP A 67 0.476 -12.349 21.456 1.00 0.00 O ATOM 1020 OD2 ASP A 67 -1.531 -11.603 20.941 1.00 0.00 O ATOM 0 H ASP A 67 1.128 -9.207 17.899 1.00 0.00 H new ATOM 0 HA ASP A 67 1.063 -12.060 18.520 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.330 -10.252 20.252 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.262 -9.650 19.836 1.00 0.00 H new ATOM 1025 N VAL A 68 -1.583 -10.465 17.305 1.00 0.00 N ATOM 1026 CA VAL A 68 -2.830 -10.699 16.544 1.00 0.00 C ATOM 1027 C VAL A 68 -2.576 -11.577 15.317 1.00 0.00 C ATOM 1028 O VAL A 68 -3.357 -12.486 15.042 1.00 0.00 O ATOM 1029 CB VAL A 68 -3.562 -9.400 16.131 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -4.894 -9.698 15.413 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -3.883 -8.539 17.361 1.00 0.00 C ATOM 0 H VAL A 68 -1.324 -9.482 17.384 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.494 -11.224 17.231 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.890 -8.871 15.456 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.378 -8.760 15.139 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.700 -10.282 14.514 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.548 -10.262 16.078 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.397 -7.631 17.046 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.523 -9.101 18.041 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.957 -8.273 17.870 1.00 0.00 H new ATOM 1041 N VAL A 69 -1.469 -11.349 14.615 1.00 0.00 N ATOM 1042 CA VAL A 69 -1.104 -12.070 13.394 1.00 0.00 C ATOM 1043 C VAL A 69 -0.454 -13.419 13.709 1.00 0.00 C ATOM 1044 O VAL A 69 -0.829 -14.420 13.107 1.00 0.00 O ATOM 1045 CB VAL A 69 -0.169 -11.195 12.532 1.00 0.00 C ATOM 1046 CG1 VAL A 69 0.358 -11.920 11.291 1.00 0.00 C ATOM 1047 CG2 VAL A 69 -0.922 -9.930 12.073 1.00 0.00 C ATOM 0 H VAL A 69 -0.784 -10.642 14.883 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.015 -12.277 12.833 1.00 0.00 H new ATOM 0 HB VAL A 69 0.686 -10.944 13.159 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.009 -11.251 10.728 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.921 -12.802 11.596 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.480 -12.224 10.664 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.260 -9.313 11.465 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.793 -10.218 11.484 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.246 -9.363 12.946 1.00 0.00 H new ATOM 1057 N GLY A 70 0.525 -13.477 14.621 1.00 0.00 N ATOM 1058 CA GLY A 70 1.315 -14.691 14.856 1.00 0.00 C ATOM 1059 C GLY A 70 2.093 -15.078 13.591 1.00 0.00 C ATOM 1060 O GLY A 70 2.925 -14.304 13.110 1.00 0.00 O ATOM 0 H GLY A 70 0.790 -12.689 15.213 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.008 -14.527 15.681 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.657 -15.509 15.150 1.00 0.00 H new ATOM 1064 N GLY A 71 1.794 -16.261 13.038 1.00 0.00 N ATOM 1065 CA GLY A 71 2.348 -16.766 11.770 1.00 0.00 C ATOM 1066 C GLY A 71 1.462 -16.536 10.535 1.00 0.00 C ATOM 1067 O GLY A 71 1.834 -16.971 9.445 1.00 0.00 O ATOM 0 H GLY A 71 1.141 -16.914 13.472 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.314 -16.291 11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.532 -17.835 11.872 1.00 0.00 H new ATOM 1071 N CYS A 72 0.294 -15.898 10.685 1.00 0.00 N ATOM 1072 CA CYS A 72 -0.703 -15.704 9.618 1.00 0.00 C ATOM 1073 C CYS A 72 -0.270 -14.678 8.546 1.00 0.00 C ATOM 1074 O CYS A 72 0.656 -13.885 8.743 1.00 0.00 O ATOM 1075 CB CYS A 72 -2.034 -15.283 10.269 1.00 0.00 C ATOM 1076 SG CYS A 72 -2.555 -16.536 11.481 1.00 0.00 S ATOM 0 H CYS A 72 0.006 -15.491 11.575 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.812 -16.649 9.086 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.919 -14.316 10.759 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.801 -15.163 9.504 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.711 -17.019 11.136 1.00 0.00 H new ATOM 1082 N CYS A 73 -0.990 -14.664 7.419 1.00 0.00 N ATOM 1083 CA CYS A 73 -0.872 -13.628 6.385 1.00 0.00 C ATOM 1084 C CYS A 73 -1.702 -12.382 6.754 1.00 0.00 C ATOM 1085 O CYS A 73 -2.689 -12.471 7.491 1.00 0.00 O ATOM 1086 CB CYS A 73 -1.300 -14.218 5.028 1.00 0.00 C ATOM 1087 SG CYS A 73 -0.252 -15.644 4.594 1.00 0.00 S ATOM 0 H CYS A 73 -1.680 -15.381 7.196 1.00 0.00 H new ATOM 0 HA CYS A 73 0.166 -13.303 6.313 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.344 -14.527 5.072 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.225 -13.455 4.253 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.631 -16.128 3.448 1.00 0.00 H new ATOM 1093 N TYR A 74 -1.330 -11.223 6.205 1.00 0.00 N ATOM 1094 CA TYR A 74 -2.031 -9.947 6.421 1.00 0.00 C ATOM 1095 C TYR A 74 -1.710 -8.887 5.352 1.00 0.00 C ATOM 1096 O TYR A 74 -0.645 -8.933 4.725 1.00 0.00 O ATOM 1097 CB TYR A 74 -1.749 -9.407 7.836 1.00 0.00 C ATOM 1098 CG TYR A 74 -0.337 -8.896 8.072 1.00 0.00 C ATOM 1099 CD1 TYR A 74 0.705 -9.798 8.358 1.00 0.00 C ATOM 1100 CD2 TYR A 74 -0.066 -7.514 8.017 1.00 0.00 C ATOM 1101 CE1 TYR A 74 2.005 -9.320 8.618 1.00 0.00 C ATOM 1102 CE2 TYR A 74 1.226 -7.029 8.279 1.00 0.00 C ATOM 1103 CZ TYR A 74 2.266 -7.931 8.591 1.00 0.00 C ATOM 1104 OH TYR A 74 3.514 -7.466 8.860 1.00 0.00 O ATOM 0 H TYR A 74 -0.522 -11.139 5.588 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.096 -10.158 6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.449 -8.598 8.043 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.955 -10.199 8.556 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.508 -10.860 8.378 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.858 -6.822 7.771 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.802 -10.015 8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.423 -5.968 8.242 1.00 0.00 H new ATOM 0 HH TYR A 74 3.519 -6.488 8.797 1.00 0.00 H new ATOM 1114 N ARG A 75 -2.605 -7.907 5.163 1.00 0.00 N ATOM 1115 CA ARG A 75 -2.445 -6.825 4.171 1.00 0.00 C ATOM 1116 C ARG A 75 -3.197 -5.552 4.588 1.00 0.00 C ATOM 1117 O ARG A 75 -4.315 -5.648 5.086 1.00 0.00 O ATOM 1118 CB ARG A 75 -2.944 -7.336 2.794 1.00 0.00 C ATOM 1119 CG ARG A 75 -2.232 -6.678 1.600 1.00 0.00 C ATOM 1120 CD ARG A 75 -0.849 -7.299 1.354 1.00 0.00 C ATOM 1121 NE ARG A 75 -0.075 -6.524 0.368 1.00 0.00 N ATOM 1122 CZ ARG A 75 1.201 -6.729 0.057 1.00 0.00 C ATOM 1123 NH1 ARG A 75 1.867 -7.771 0.503 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.840 -5.871 -0.707 1.00 0.00 N ATOM 0 H ARG A 75 -3.471 -7.839 5.698 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.390 -6.557 4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.801 -8.415 2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.015 -7.153 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.845 -6.787 0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.124 -5.609 1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.298 -7.347 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.967 -8.324 1.001 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.559 -5.767 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.405 -8.451 1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.846 -7.899 0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.357 -5.046 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.819 -6.030 -0.944 1.00 0.00 H new ATOM 1138 N VAL A 76 -2.613 -4.365 4.376 1.00 0.00 N ATOM 1139 CA VAL A 76 -3.319 -3.067 4.540 1.00 0.00 C ATOM 1140 C VAL A 76 -4.319 -2.897 3.391 1.00 0.00 C ATOM 1141 O VAL A 76 -3.968 -3.111 2.231 1.00 0.00 O ATOM 1142 CB VAL A 76 -2.353 -1.853 4.596 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -3.096 -0.504 4.669 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -1.426 -1.932 5.819 1.00 0.00 C ATOM 0 H VAL A 76 -1.640 -4.267 4.086 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.837 -3.090 5.499 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.779 -1.901 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.371 0.309 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.727 -0.388 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.716 -0.478 5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.762 -1.067 5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.025 -1.940 6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.832 -2.845 5.767 1.00 0.00 H new ATOM 1154 N ASN A 77 -5.554 -2.494 3.712 1.00 0.00 N ATOM 1155 CA ASN A 77 -6.637 -2.290 2.742 1.00 0.00 C ATOM 1156 C ASN A 77 -7.720 -1.340 3.295 1.00 0.00 C ATOM 1157 O ASN A 77 -8.838 -1.744 3.610 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.197 -3.658 2.288 1.00 0.00 C ATOM 1159 CG ASN A 77 -8.145 -3.520 1.096 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -9.355 -3.676 1.208 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -7.618 -3.213 -0.078 1.00 0.00 N ATOM 0 H ASN A 77 -5.834 -2.297 4.673 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.239 -1.793 1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.371 -4.317 2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.724 -4.128 3.118 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.220 -3.105 -0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.610 -3.084 -0.167 1.00 0.00 H new ATOM 1168 N ASN A 78 -7.394 -0.048 3.431 1.00 0.00 N ATOM 1169 CA ASN A 78 -8.314 0.976 3.947 1.00 0.00 C ATOM 1170 C ASN A 78 -9.305 1.461 2.866 1.00 0.00 C ATOM 1171 O ASN A 78 -9.325 2.630 2.489 1.00 0.00 O ATOM 1172 CB ASN A 78 -7.530 2.114 4.631 1.00 0.00 C ATOM 1173 CG ASN A 78 -8.399 2.886 5.618 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -9.591 2.625 5.768 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -7.816 3.818 6.339 1.00 0.00 N ATOM 0 H ASN A 78 -6.475 0.320 3.184 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.939 0.525 4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.668 1.699 5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.145 2.797 3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.354 4.336 7.034 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -6.826 4.023 6.203 1.00 0.00 H new ATOM 1182 N SER A 79 -10.113 0.527 2.360 1.00 0.00 N ATOM 1183 CA SER A 79 -10.995 0.672 1.186 1.00 0.00 C ATOM 1184 C SER A 79 -11.768 1.993 1.121 1.00 0.00 C ATOM 1185 O SER A 79 -11.479 2.828 0.266 1.00 0.00 O ATOM 1186 CB SER A 79 -11.931 -0.544 1.093 1.00 0.00 C ATOM 1187 OG SER A 79 -12.659 -0.741 2.299 1.00 0.00 O ATOM 0 H SER A 79 -10.178 -0.402 2.776 1.00 0.00 H new ATOM 0 HA SER A 79 -10.344 0.706 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.627 -0.405 0.266 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.347 -1.437 0.871 1.00 0.00 H new ATOM 0 HG SER A 79 -13.245 -1.521 2.204 1.00 0.00 H new ATOM 1193 N LEU A 80 -12.716 2.220 2.037 1.00 0.00 N ATOM 1194 CA LEU A 80 -13.564 3.418 2.061 1.00 0.00 C ATOM 1195 C LEU A 80 -12.760 4.726 2.157 1.00 0.00 C ATOM 1196 O LEU A 80 -13.213 5.771 1.693 1.00 0.00 O ATOM 1197 CB LEU A 80 -14.522 3.283 3.255 1.00 0.00 C ATOM 1198 CG LEU A 80 -15.662 4.311 3.292 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -16.692 3.964 2.213 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -16.324 4.310 4.674 1.00 0.00 C ATOM 0 H LEU A 80 -12.919 1.567 2.794 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.110 3.479 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.955 2.283 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.945 3.369 4.176 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.260 5.306 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -17.503 4.692 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.214 3.985 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -17.093 2.968 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -17.131 5.042 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.728 3.319 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.584 4.568 5.432 1.00 0.00 H new ATOM 1212 N ASP A 81 -11.564 4.679 2.742 1.00 0.00 N ATOM 1213 CA ASP A 81 -10.699 5.847 2.846 1.00 0.00 C ATOM 1214 C ASP A 81 -10.055 6.193 1.499 1.00 0.00 C ATOM 1215 O ASP A 81 -10.156 7.332 1.039 1.00 0.00 O ATOM 1216 CB ASP A 81 -9.673 5.625 3.961 1.00 0.00 C ATOM 1217 CG ASP A 81 -9.182 6.963 4.514 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -10.013 7.641 5.162 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -7.997 7.313 4.305 1.00 0.00 O ATOM 0 H ASP A 81 -11.171 3.833 3.155 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.298 6.717 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.120 5.036 4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.829 5.052 3.577 1.00 0.00 H new ATOM 1224 N HIS A 82 -9.477 5.206 0.811 1.00 0.00 N ATOM 1225 CA HIS A 82 -8.905 5.419 -0.523 1.00 0.00 C ATOM 1226 C HIS A 82 -9.960 5.462 -1.657 1.00 0.00 C ATOM 1227 O HIS A 82 -9.624 5.818 -2.791 1.00 0.00 O ATOM 1228 CB HIS A 82 -7.750 4.435 -0.761 1.00 0.00 C ATOM 1229 CG HIS A 82 -8.112 2.980 -0.947 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -8.803 2.426 -2.003 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -7.640 1.937 -0.194 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -8.761 1.088 -1.879 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -8.060 0.735 -0.783 1.00 0.00 N ATOM 0 H HIS A 82 -9.392 4.250 1.155 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.483 6.423 -0.553 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.203 4.763 -1.645 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.064 4.508 0.083 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.044 2.025 0.703 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.225 0.392 -2.563 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.873 -0.211 -0.450 1.00 0.00 H new ATOM 1241 N GLU A 83 -11.235 5.156 -1.370 1.00 0.00 N ATOM 1242 CA GLU A 83 -12.366 5.362 -2.287 1.00 0.00 C ATOM 1243 C GLU A 83 -12.627 6.844 -2.610 1.00 0.00 C ATOM 1244 O GLU A 83 -13.053 7.151 -3.727 1.00 0.00 O ATOM 1245 CB GLU A 83 -13.653 4.717 -1.744 1.00 0.00 C ATOM 1246 CG GLU A 83 -13.769 3.222 -2.061 1.00 0.00 C ATOM 1247 CD GLU A 83 -14.137 2.974 -3.533 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -15.341 3.037 -3.879 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -13.231 2.687 -4.351 1.00 0.00 O ATOM 0 H GLU A 83 -11.514 4.751 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.078 4.872 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.691 4.855 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.515 5.237 -2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.824 2.729 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.525 2.772 -1.417 1.00 0.00 H new ATOM 1256 N TYR A 84 -12.357 7.768 -1.670 1.00 0.00 N ATOM 1257 CA TYR A 84 -12.654 9.203 -1.865 1.00 0.00 C ATOM 1258 C TYR A 84 -11.727 10.228 -1.175 1.00 0.00 C ATOM 1259 O TYR A 84 -11.562 11.333 -1.699 1.00 0.00 O ATOM 1260 CB TYR A 84 -14.106 9.542 -1.437 1.00 0.00 C ATOM 1261 CG TYR A 84 -15.084 8.415 -1.142 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -15.895 7.877 -2.161 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -15.250 7.974 0.185 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -16.850 6.885 -1.857 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -16.208 6.993 0.497 1.00 0.00 C ATOM 1266 CZ TYR A 84 -17.009 6.435 -0.525 1.00 0.00 C ATOM 1267 OH TYR A 84 -17.932 5.475 -0.234 1.00 0.00 O ATOM 0 H TYR A 84 -11.934 7.549 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.485 9.314 -2.936 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -14.046 10.164 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -14.543 10.156 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -15.785 8.225 -3.177 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -14.637 8.392 0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -17.462 6.468 -2.643 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.332 6.666 1.519 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.046 4.886 -1.009 1.00 0.00 H new ATOM 1277 N GLN A 85 -11.228 9.959 0.039 1.00 0.00 N ATOM 1278 CA GLN A 85 -11.188 10.999 1.083 1.00 0.00 C ATOM 1279 C GLN A 85 -9.792 11.236 1.729 1.00 0.00 C ATOM 1280 O GLN A 85 -9.093 10.271 2.043 1.00 0.00 O ATOM 1281 CB GLN A 85 -12.259 10.665 2.138 1.00 0.00 C ATOM 1282 CG GLN A 85 -12.079 9.285 2.797 1.00 0.00 C ATOM 1283 CD GLN A 85 -13.110 8.943 3.872 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -14.204 9.489 3.925 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -12.757 8.108 4.827 1.00 0.00 N ATOM 0 H GLN A 85 -10.854 9.053 0.321 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.404 11.951 0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.243 11.431 2.913 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.242 10.707 1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.118 8.521 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.084 9.238 3.241 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.847 7.648 4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.393 7.921 5.602 1.00 0.00 H new ATOM 1294 N PRO A 86 -9.396 12.505 1.992 1.00 0.00 N ATOM 1295 CA PRO A 86 -8.140 12.886 2.653 1.00 0.00 C ATOM 1296 C PRO A 86 -8.331 13.085 4.174 1.00 0.00 C ATOM 1297 O PRO A 86 -8.043 14.149 4.727 1.00 0.00 O ATOM 1298 CB PRO A 86 -7.735 14.177 1.937 1.00 0.00 C ATOM 1299 CG PRO A 86 -9.084 14.869 1.749 1.00 0.00 C ATOM 1300 CD PRO A 86 -10.026 13.706 1.447 1.00 0.00 C ATOM 0 HA PRO A 86 -7.370 12.117 2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.048 14.777 2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.241 13.979 0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.387 15.412 2.644 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.058 15.590 0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -11.003 13.871 1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.186 13.606 0.373 1.00 0.00 H new ATOM 1308 N ARG A 87 -8.861 12.070 4.865 1.00 0.00 N ATOM 1309 CA ARG A 87 -9.213 12.113 6.290 1.00 0.00 C ATOM 1310 C ARG A 87 -8.056 12.495 7.246 1.00 0.00 C ATOM 1311 O ARG A 87 -6.912 12.094 7.004 1.00 0.00 O ATOM 1312 CB ARG A 87 -9.774 10.727 6.670 1.00 0.00 C ATOM 1313 CG ARG A 87 -11.258 10.755 7.052 1.00 0.00 C ATOM 1314 CD ARG A 87 -12.212 11.173 5.928 1.00 0.00 C ATOM 1315 NE ARG A 87 -12.624 12.590 5.953 1.00 0.00 N ATOM 1316 CZ ARG A 87 -13.671 13.111 5.312 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -14.481 12.386 4.564 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -13.922 14.398 5.411 1.00 0.00 N ATOM 0 H ARG A 87 -9.063 11.167 4.435 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.944 12.912 6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.635 10.045 5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.199 10.327 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.546 9.763 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.388 11.439 7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.734 10.966 4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.105 10.550 5.979 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.057 13.228 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.318 11.385 4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.270 12.827 4.092 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.317 14.994 5.976 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -14.722 14.801 4.922 1.00 0.00 H new ATOM 1332 N PRO A 88 -8.351 13.182 8.376 1.00 0.00 N ATOM 1333 CA PRO A 88 -7.397 13.415 9.466 1.00 0.00 C ATOM 1334 C PRO A 88 -7.169 12.103 10.226 1.00 0.00 C ATOM 1335 O PRO A 88 -7.968 11.693 11.066 1.00 0.00 O ATOM 1336 CB PRO A 88 -8.028 14.506 10.337 1.00 0.00 C ATOM 1337 CG PRO A 88 -9.526 14.271 10.150 1.00 0.00 C ATOM 1338 CD PRO A 88 -9.607 13.866 8.682 1.00 0.00 C ATOM 0 HA PRO A 88 -6.415 13.740 9.121 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.732 14.410 11.382 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.732 15.503 10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.901 13.488 10.810 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.108 15.169 10.358 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.460 13.210 8.506 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.739 14.740 8.044 1.00 0.00 H new ATOM 1346 N VAL A 89 -6.053 11.435 9.928 1.00 0.00 N ATOM 1347 CA VAL A 89 -5.760 10.056 10.379 1.00 0.00 C ATOM 1348 C VAL A 89 -5.674 9.924 11.910 1.00 0.00 C ATOM 1349 O VAL A 89 -6.010 8.874 12.456 1.00 0.00 O ATOM 1350 CB VAL A 89 -4.494 9.541 9.647 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -4.009 8.171 10.131 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -4.769 9.428 8.133 1.00 0.00 C ATOM 0 H VAL A 89 -5.309 11.836 9.357 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.600 9.416 10.108 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.715 10.271 9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.120 7.881 9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.767 8.225 11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.794 7.431 9.975 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.874 9.066 7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.590 8.731 7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.038 10.408 7.738 1.00 0.00 H new ATOM 1362 N GLU A 90 -5.349 11.012 12.625 1.00 0.00 N ATOM 1363 CA GLU A 90 -5.354 11.055 14.100 1.00 0.00 C ATOM 1364 C GLU A 90 -6.759 10.841 14.686 1.00 0.00 C ATOM 1365 O GLU A 90 -6.909 10.225 15.742 1.00 0.00 O ATOM 1366 CB GLU A 90 -4.811 12.405 14.606 1.00 0.00 C ATOM 1367 CG GLU A 90 -3.419 12.742 14.059 1.00 0.00 C ATOM 1368 CD GLU A 90 -2.835 13.973 14.762 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -3.097 15.113 14.312 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -2.103 13.809 15.768 1.00 0.00 O ATOM 0 H GLU A 90 -5.073 11.895 12.195 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.712 10.240 14.434 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.506 13.197 14.325 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.771 12.388 15.695 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.754 11.890 14.198 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.481 12.927 12.987 1.00 0.00 H new ATOM 1377 N VAL A 91 -7.803 11.305 13.991 1.00 0.00 N ATOM 1378 CA VAL A 91 -9.200 11.188 14.458 1.00 0.00 C ATOM 1379 C VAL A 91 -9.688 9.742 14.309 1.00 0.00 C ATOM 1380 O VAL A 91 -10.394 9.241 15.176 1.00 0.00 O ATOM 1381 CB VAL A 91 -10.136 12.178 13.721 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -11.570 12.141 14.273 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -9.604 13.621 13.843 1.00 0.00 C ATOM 0 H VAL A 91 -7.710 11.773 13.089 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.227 11.455 15.514 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.154 11.867 12.676 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.189 12.852 13.725 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.979 11.138 14.156 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.560 12.408 15.330 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.275 14.302 13.319 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.551 13.902 14.895 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.609 13.681 13.401 1.00 0.00 H new ATOM 1393 N ILE A 92 -9.235 9.032 13.267 1.00 0.00 N ATOM 1394 CA ILE A 92 -9.501 7.592 13.082 1.00 0.00 C ATOM 1395 C ILE A 92 -8.805 6.765 14.174 1.00 0.00 C ATOM 1396 O ILE A 92 -9.439 5.911 14.791 1.00 0.00 O ATOM 1397 CB ILE A 92 -9.103 7.182 11.641 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -10.025 7.894 10.619 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -9.180 5.654 11.459 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -9.441 7.944 9.206 1.00 0.00 C ATOM 0 H ILE A 92 -8.670 9.440 12.522 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.565 7.385 13.194 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.071 7.488 11.467 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.986 7.381 10.589 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.217 8.911 10.961 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.896 5.394 10.439 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.500 5.169 12.160 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -10.199 5.316 11.649 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.138 8.456 8.542 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.494 8.483 9.223 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.275 6.929 8.845 1.00 0.00 H new ATOM 1412 N ILE A 93 -7.541 7.073 14.489 1.00 0.00 N ATOM 1413 CA ILE A 93 -6.810 6.472 15.623 1.00 0.00 C ATOM 1414 C ILE A 93 -7.516 6.762 16.957 1.00 0.00 C ATOM 1415 O ILE A 93 -7.621 5.884 17.811 1.00 0.00 O ATOM 1416 CB ILE A 93 -5.333 6.957 15.607 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -4.598 6.337 14.395 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -4.603 6.622 16.922 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -3.184 6.882 14.139 1.00 0.00 C ATOM 0 H ILE A 93 -6.988 7.750 13.963 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.805 5.387 15.516 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.332 8.043 15.513 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.533 5.259 14.542 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.201 6.501 13.502 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.574 6.978 16.868 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.112 7.108 17.755 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.606 5.543 17.075 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.754 6.385 13.269 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.235 7.955 13.955 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.558 6.693 15.011 1.00 0.00 H new ATOM 1431 N SER A 94 -8.037 7.975 17.140 1.00 0.00 N ATOM 1432 CA SER A 94 -8.767 8.363 18.353 1.00 0.00 C ATOM 1433 C SER A 94 -10.089 7.585 18.481 1.00 0.00 C ATOM 1434 O SER A 94 -10.417 7.060 19.546 1.00 0.00 O ATOM 1435 CB SER A 94 -9.028 9.878 18.354 1.00 0.00 C ATOM 1436 OG SER A 94 -7.821 10.625 18.253 1.00 0.00 O ATOM 0 H SER A 94 -7.966 8.722 16.449 1.00 0.00 H new ATOM 0 HA SER A 94 -8.150 8.112 19.216 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.684 10.134 17.522 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.551 10.156 19.269 1.00 0.00 H new ATOM 0 HG SER A 94 -7.518 10.633 17.321 1.00 0.00 H new ATOM 1442 N SER A 95 -10.825 7.441 17.382 1.00 0.00 N ATOM 1443 CA SER A 95 -12.060 6.664 17.321 1.00 0.00 C ATOM 1444 C SER A 95 -11.832 5.173 17.569 1.00 0.00 C ATOM 1445 O SER A 95 -12.653 4.546 18.232 1.00 0.00 O ATOM 1446 CB SER A 95 -12.745 6.884 15.969 1.00 0.00 C ATOM 1447 OG SER A 95 -13.350 8.164 15.947 1.00 0.00 O ATOM 0 H SER A 95 -10.575 7.870 16.491 1.00 0.00 H new ATOM 0 HA SER A 95 -12.707 7.018 18.123 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.016 6.801 15.163 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.496 6.112 15.800 1.00 0.00 H new ATOM 0 HG SER A 95 -13.721 8.335 15.056 1.00 0.00 H new ATOM 1453 N ALA A 96 -10.708 4.593 17.138 1.00 0.00 N ATOM 1454 CA ALA A 96 -10.334 3.222 17.494 1.00 0.00 C ATOM 1455 C ALA A 96 -10.132 3.060 19.011 1.00 0.00 C ATOM 1456 O ALA A 96 -10.695 2.153 19.630 1.00 0.00 O ATOM 1457 CB ALA A 96 -9.089 2.860 16.677 1.00 0.00 C ATOM 0 H ALA A 96 -10.033 5.060 16.533 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.138 2.528 17.249 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.780 1.842 16.916 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.319 2.929 15.614 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.281 3.551 16.919 1.00 0.00 H new ATOM 1463 N LYS A 97 -9.423 4.006 19.637 1.00 0.00 N ATOM 1464 CA LYS A 97 -9.255 4.071 21.095 1.00 0.00 C ATOM 1465 C LYS A 97 -10.565 4.378 21.863 1.00 0.00 C ATOM 1466 O LYS A 97 -10.611 4.171 23.079 1.00 0.00 O ATOM 1467 CB LYS A 97 -8.121 5.054 21.439 1.00 0.00 C ATOM 1468 CG LYS A 97 -6.753 4.534 20.954 1.00 0.00 C ATOM 1469 CD LYS A 97 -5.581 5.414 21.414 1.00 0.00 C ATOM 1470 CE LYS A 97 -5.682 6.849 20.872 1.00 0.00 C ATOM 1471 NZ LYS A 97 -4.498 7.671 21.256 1.00 0.00 N ATOM 0 H LYS A 97 -8.944 4.757 19.141 1.00 0.00 H new ATOM 0 HA LYS A 97 -8.974 3.075 21.438 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.326 6.022 20.981 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.090 5.212 22.517 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.605 3.519 21.322 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.755 4.481 19.865 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.555 5.440 22.503 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.643 4.968 21.083 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.769 6.822 19.786 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.589 7.318 21.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.603 8.632 20.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.429 7.718 22.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.635 7.237 20.871 1.00 0.00 H new ATOM 1485 N GLU A 98 -11.631 4.819 21.182 1.00 0.00 N ATOM 1486 CA GLU A 98 -12.986 4.926 21.735 1.00 0.00 C ATOM 1487 C GLU A 98 -13.827 3.654 21.489 1.00 0.00 C ATOM 1488 O GLU A 98 -14.596 3.247 22.361 1.00 0.00 O ATOM 1489 CB GLU A 98 -13.709 6.165 21.185 1.00 0.00 C ATOM 1490 CG GLU A 98 -13.150 7.463 21.779 1.00 0.00 C ATOM 1491 CD GLU A 98 -13.964 8.678 21.317 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -14.963 9.028 21.992 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -13.610 9.296 20.286 1.00 0.00 O ATOM 0 H GLU A 98 -11.573 5.118 20.209 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.875 5.035 22.814 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.611 6.191 20.100 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.774 6.093 21.407 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.165 7.404 22.867 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.109 7.584 21.480 1.00 0.00 H new ATOM 1500 N MET A 99 -13.664 3.001 20.331 1.00 0.00 N ATOM 1501 CA MET A 99 -14.364 1.761 19.951 1.00 0.00 C ATOM 1502 C MET A 99 -13.876 0.525 20.711 1.00 0.00 C ATOM 1503 O MET A 99 -14.663 -0.387 20.954 1.00 0.00 O ATOM 1504 CB MET A 99 -14.245 1.527 18.434 1.00 0.00 C ATOM 1505 CG MET A 99 -15.198 2.426 17.635 1.00 0.00 C ATOM 1506 SD MET A 99 -16.970 2.074 17.820 1.00 0.00 S ATOM 1507 CE MET A 99 -17.066 0.486 16.950 1.00 0.00 C ATOM 0 H MET A 99 -13.022 3.329 19.609 1.00 0.00 H new ATOM 0 HA MET A 99 -15.409 1.903 20.228 1.00 0.00 H new ATOM 0 HB2 MET A 99 -13.219 1.716 18.118 1.00 0.00 H new ATOM 0 HB3 MET A 99 -14.460 0.482 18.211 1.00 0.00 H new ATOM 0 HG2 MET A 99 -15.021 3.461 17.929 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.941 2.346 16.579 1.00 0.00 H new ATOM 0 HE1 MET A 99 -18.111 0.209 16.812 1.00 0.00 H new ATOM 0 HE2 MET A 99 -16.583 0.574 15.977 1.00 0.00 H new ATOM 0 HE3 MET A 99 -16.562 -0.282 17.537 1.00 0.00 H new ATOM 1517 N VAL A 100 -12.605 0.477 21.111 1.00 0.00 N ATOM 1518 CA VAL A 100 -12.095 -0.576 22.006 1.00 0.00 C ATOM 1519 C VAL A 100 -12.928 -0.660 23.295 1.00 0.00 C ATOM 1520 O VAL A 100 -13.189 0.344 23.959 1.00 0.00 O ATOM 1521 CB VAL A 100 -10.581 -0.451 22.275 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -10.178 0.805 23.056 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -10.051 -1.701 22.984 1.00 0.00 C ATOM 0 H VAL A 100 -11.900 1.159 20.829 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.214 -1.527 21.486 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.122 -0.355 21.291 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.098 0.813 23.201 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.475 1.692 22.497 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.674 0.805 24.027 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.982 -1.591 23.164 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.568 -1.826 23.935 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.226 -2.576 22.358 1.00 0.00 H new ATOM 1533 N GLY A 101 -13.373 -1.881 23.603 1.00 0.00 N ATOM 1534 CA GLY A 101 -14.309 -2.198 24.688 1.00 0.00 C ATOM 1535 C GLY A 101 -15.759 -2.413 24.234 1.00 0.00 C ATOM 1536 O GLY A 101 -16.571 -2.874 25.036 1.00 0.00 O ATOM 0 H GLY A 101 -13.081 -2.709 23.084 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.964 -3.098 25.198 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.286 -1.389 25.418 1.00 0.00 H new ATOM 1540 N GLN A 102 -16.102 -2.125 22.972 1.00 0.00 N ATOM 1541 CA GLN A 102 -17.409 -2.443 22.397 1.00 0.00 C ATOM 1542 C GLN A 102 -17.557 -3.953 22.169 1.00 0.00 C ATOM 1543 O GLN A 102 -16.603 -4.653 21.821 1.00 0.00 O ATOM 1544 CB GLN A 102 -17.625 -1.686 21.071 1.00 0.00 C ATOM 1545 CG GLN A 102 -17.848 -0.173 21.250 1.00 0.00 C ATOM 1546 CD GLN A 102 -19.193 0.142 21.904 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -19.290 0.415 23.095 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -20.288 0.077 21.171 1.00 0.00 N ATOM 0 H GLN A 102 -15.472 -1.660 22.318 1.00 0.00 H new ATOM 0 HA GLN A 102 -18.170 -2.124 23.110 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -16.759 -1.843 20.428 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -18.486 -2.112 20.556 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -17.045 0.241 21.859 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -17.796 0.317 20.278 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -20.225 -0.149 20.178 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -21.198 0.253 21.597 1.00 0.00 H new ATOM 1557 N LYS A 103 -18.788 -4.431 22.347 1.00 0.00 N ATOM 1558 CA LYS A 103 -19.215 -5.822 22.132 1.00 0.00 C ATOM 1559 C LYS A 103 -20.417 -5.903 21.171 1.00 0.00 C ATOM 1560 O LYS A 103 -21.313 -5.053 21.217 1.00 0.00 O ATOM 1561 CB LYS A 103 -19.586 -6.460 23.484 1.00 0.00 C ATOM 1562 CG LYS A 103 -18.385 -6.622 24.427 1.00 0.00 C ATOM 1563 CD LYS A 103 -18.834 -7.190 25.778 1.00 0.00 C ATOM 1564 CE LYS A 103 -17.629 -7.323 26.718 1.00 0.00 C ATOM 1565 NZ LYS A 103 -18.015 -7.859 28.052 1.00 0.00 N ATOM 0 H LYS A 103 -19.554 -3.835 22.660 1.00 0.00 H new ATOM 0 HA LYS A 103 -18.386 -6.365 21.678 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -20.343 -5.846 23.972 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -20.034 -7.437 23.306 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -17.647 -7.285 23.975 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -17.899 -5.658 24.575 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -19.584 -6.537 26.225 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -19.303 -8.163 25.635 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.887 -7.980 26.265 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.158 -6.348 26.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.170 -7.932 28.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -18.703 -7.219 28.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -18.441 -8.801 27.938 1.00 0.00 H new ATOM 1579 N MET A 104 -20.458 -6.945 20.332 1.00 0.00 N ATOM 1580 CA MET A 104 -21.495 -7.167 19.305 1.00 0.00 C ATOM 1581 C MET A 104 -21.865 -8.656 19.195 1.00 0.00 C ATOM 1582 O MET A 104 -21.080 -9.519 19.589 1.00 0.00 O ATOM 1583 CB MET A 104 -21.033 -6.614 17.939 1.00 0.00 C ATOM 1584 CG MET A 104 -20.800 -5.090 17.930 1.00 0.00 C ATOM 1585 SD MET A 104 -19.146 -4.514 18.406 1.00 0.00 S ATOM 1586 CE MET A 104 -18.284 -4.885 16.862 1.00 0.00 C ATOM 0 H MET A 104 -19.752 -7.681 20.346 1.00 0.00 H new ATOM 0 HA MET A 104 -22.390 -6.626 19.611 1.00 0.00 H new ATOM 0 HB2 MET A 104 -20.109 -7.115 17.649 1.00 0.00 H new ATOM 0 HB3 MET A 104 -21.781 -6.862 17.186 1.00 0.00 H new ATOM 0 HG2 MET A 104 -21.014 -4.719 16.927 1.00 0.00 H new ATOM 0 HG3 MET A 104 -21.526 -4.631 18.601 1.00 0.00 H new ATOM 0 HE1 MET A 104 -17.282 -4.457 16.893 1.00 0.00 H new ATOM 0 HE2 MET A 104 -18.213 -5.965 16.735 1.00 0.00 H new ATOM 0 HE3 MET A 104 -18.836 -4.457 16.025 1.00 0.00 H new ATOM 1596 N LYS A 105 -23.053 -8.977 18.662 1.00 0.00 N ATOM 1597 CA LYS A 105 -23.542 -10.371 18.581 1.00 0.00 C ATOM 1598 C LYS A 105 -24.690 -10.604 17.575 1.00 0.00 C ATOM 1599 O LYS A 105 -24.718 -11.630 16.896 1.00 0.00 O ATOM 1600 CB LYS A 105 -23.975 -10.811 19.999 1.00 0.00 C ATOM 1601 CG LYS A 105 -23.950 -12.338 20.158 1.00 0.00 C ATOM 1602 CD LYS A 105 -24.355 -12.741 21.580 1.00 0.00 C ATOM 1603 CE LYS A 105 -24.030 -14.221 21.816 1.00 0.00 C ATOM 1604 NZ LYS A 105 -24.384 -14.653 23.193 1.00 0.00 N ATOM 0 H LYS A 105 -23.700 -8.289 18.277 1.00 0.00 H new ATOM 0 HA LYS A 105 -22.718 -10.974 18.200 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -23.313 -10.358 20.737 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -24.980 -10.441 20.203 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -24.629 -12.795 19.438 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -22.951 -12.715 19.938 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -23.827 -12.123 22.307 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -25.421 -12.566 21.727 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -24.572 -14.831 21.093 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -22.967 -14.391 21.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -24.149 -15.659 23.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -23.848 -14.088 23.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -25.403 -14.515 23.349 1.00 0.00 H new ATOM 1618 N TYR A 106 -25.638 -9.663 17.475 1.00 0.00 N ATOM 1619 CA TYR A 106 -26.895 -9.844 16.724 1.00 0.00 C ATOM 1620 C TYR A 106 -26.731 -9.839 15.187 1.00 0.00 C ATOM 1621 O TYR A 106 -27.442 -10.555 14.481 1.00 0.00 O ATOM 1622 CB TYR A 106 -27.867 -8.740 17.169 1.00 0.00 C ATOM 1623 CG TYR A 106 -29.245 -8.823 16.538 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -30.183 -9.759 17.014 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -29.588 -7.970 15.468 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -31.460 -9.852 16.426 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -30.863 -8.056 14.876 1.00 0.00 C ATOM 1628 CZ TYR A 106 -31.804 -8.996 15.354 1.00 0.00 C ATOM 1629 OH TYR A 106 -33.036 -9.077 14.777 1.00 0.00 O ATOM 0 H TYR A 106 -25.557 -8.746 17.915 1.00 0.00 H new ATOM 0 HA TYR A 106 -27.278 -10.838 16.954 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -27.974 -8.783 18.253 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -27.430 -7.771 16.930 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -29.922 -10.410 17.835 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -28.871 -7.250 15.102 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -32.174 -10.575 16.793 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -31.122 -7.403 14.056 1.00 0.00 H new ATOM 0 HH TYR A 106 -33.104 -8.416 14.057 1.00 0.00 H new ATOM 1639 N SER A 107 -25.804 -9.034 14.665 1.00 0.00 N ATOM 1640 CA SER A 107 -25.596 -8.837 13.219 1.00 0.00 C ATOM 1641 C SER A 107 -24.961 -10.054 12.507 1.00 0.00 C ATOM 1642 O SER A 107 -24.358 -10.927 13.142 1.00 0.00 O ATOM 1643 CB SER A 107 -24.726 -7.586 12.993 1.00 0.00 C ATOM 1644 OG SER A 107 -25.319 -6.441 13.594 1.00 0.00 O ATOM 0 H SER A 107 -25.163 -8.489 15.241 1.00 0.00 H new ATOM 0 HA SER A 107 -26.584 -8.708 12.776 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.733 -7.748 13.412 1.00 0.00 H new ATOM 0 HB3 SER A 107 -24.598 -7.415 11.924 1.00 0.00 H new ATOM 0 HG SER A 107 -24.749 -5.659 13.440 1.00 0.00 H new ATOM 1650 N ILE A 108 -25.056 -10.100 11.166 1.00 0.00 N ATOM 1651 CA ILE A 108 -24.350 -11.091 10.321 1.00 0.00 C ATOM 1652 C ILE A 108 -22.834 -10.872 10.469 1.00 0.00 C ATOM 1653 O ILE A 108 -22.382 -9.735 10.374 1.00 0.00 O ATOM 1654 CB ILE A 108 -24.828 -10.982 8.846 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -26.339 -11.311 8.741 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -24.012 -11.913 7.923 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -26.947 -11.085 7.350 1.00 0.00 C ATOM 0 H ILE A 108 -25.628 -9.447 10.630 1.00 0.00 H new ATOM 0 HA ILE A 108 -24.581 -12.105 10.646 1.00 0.00 H new ATOM 0 HB ILE A 108 -24.667 -9.955 8.517 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -26.491 -12.352 9.025 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -26.881 -10.701 9.464 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -24.370 -11.814 6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -22.958 -11.637 7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -24.131 -12.946 8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -28.006 -11.341 7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -26.831 -10.038 7.068 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.435 -11.715 6.623 1.00 0.00 H new ATOM 1669 N VAL A 109 -22.041 -11.934 10.664 1.00 0.00 N ATOM 1670 CA VAL A 109 -20.609 -11.833 11.040 1.00 0.00 C ATOM 1671 C VAL A 109 -19.776 -11.026 10.036 1.00 0.00 C ATOM 1672 O VAL A 109 -18.981 -10.179 10.439 1.00 0.00 O ATOM 1673 CB VAL A 109 -19.957 -13.222 11.275 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -18.532 -13.085 11.835 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -20.786 -14.073 12.254 1.00 0.00 C ATOM 0 H VAL A 109 -22.368 -12.895 10.567 1.00 0.00 H new ATOM 0 HA VAL A 109 -20.607 -11.288 11.984 1.00 0.00 H new ATOM 0 HB VAL A 109 -19.921 -13.715 10.304 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -18.104 -14.076 11.988 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.915 -12.529 11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -18.564 -12.553 12.786 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -20.302 -15.039 12.396 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -20.858 -13.558 13.212 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -21.786 -14.225 11.847 1.00 0.00 H new ATOM 1685 N SER A 110 -19.981 -11.228 8.732 1.00 0.00 N ATOM 1686 CA SER A 110 -19.292 -10.455 7.686 1.00 0.00 C ATOM 1687 C SER A 110 -19.623 -8.960 7.796 1.00 0.00 C ATOM 1688 O SER A 110 -18.719 -8.122 7.870 1.00 0.00 O ATOM 1689 CB SER A 110 -19.672 -10.992 6.295 1.00 0.00 C ATOM 1690 OG SER A 110 -19.409 -12.384 6.194 1.00 0.00 O ATOM 0 H SER A 110 -20.627 -11.929 8.368 1.00 0.00 H new ATOM 0 HA SER A 110 -18.217 -10.570 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 110 -20.729 -10.804 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 110 -19.111 -10.456 5.529 1.00 0.00 H new ATOM 0 HG SER A 110 -19.661 -12.701 5.301 1.00 0.00 H new ATOM 1696 N ARG A 111 -20.914 -8.622 7.930 1.00 0.00 N ATOM 1697 CA ARG A 111 -21.346 -7.228 8.086 1.00 0.00 C ATOM 1698 C ARG A 111 -20.895 -6.629 9.415 1.00 0.00 C ATOM 1699 O ARG A 111 -20.515 -5.469 9.449 1.00 0.00 O ATOM 1700 CB ARG A 111 -22.868 -7.094 7.903 1.00 0.00 C ATOM 1701 CG ARG A 111 -23.262 -5.647 7.539 1.00 0.00 C ATOM 1702 CD ARG A 111 -22.977 -5.291 6.070 1.00 0.00 C ATOM 1703 NE ARG A 111 -23.885 -6.014 5.157 1.00 0.00 N ATOM 1704 CZ ARG A 111 -23.577 -6.913 4.226 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -22.341 -7.267 3.943 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -24.548 -7.487 3.549 1.00 0.00 N ATOM 0 H ARG A 111 -21.678 -9.298 7.933 1.00 0.00 H new ATOM 0 HA ARG A 111 -20.859 -6.654 7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -23.204 -7.773 7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -23.375 -7.392 8.821 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -24.324 -5.505 7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -22.720 -4.957 8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -23.092 -4.217 5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.943 -5.537 5.828 1.00 0.00 H new ATOM 0 HE ARG A 111 -24.877 -5.796 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -21.561 -6.846 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -22.163 -7.962 3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -25.519 -7.241 3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -24.330 -8.178 2.832 1.00 0.00 H new ATOM 1720 N ASN A 112 -20.836 -7.407 10.490 1.00 0.00 N ATOM 1721 CA ASN A 112 -20.306 -6.977 11.788 1.00 0.00 C ATOM 1722 C ASN A 112 -18.827 -6.542 11.690 1.00 0.00 C ATOM 1723 O ASN A 112 -18.434 -5.534 12.274 1.00 0.00 O ATOM 1724 CB ASN A 112 -20.506 -8.123 12.792 1.00 0.00 C ATOM 1725 CG ASN A 112 -20.085 -7.748 14.208 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -20.411 -6.682 14.711 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -19.343 -8.612 14.879 1.00 0.00 N ATOM 0 H ASN A 112 -21.160 -8.374 10.488 1.00 0.00 H new ATOM 0 HA ASN A 112 -20.848 -6.096 12.131 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -21.555 -8.417 12.796 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -19.933 -8.991 12.465 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.036 -8.393 15.827 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -19.077 -9.498 14.449 1.00 0.00 H new ATOM 1734 N CYS A 113 -18.026 -7.250 10.883 1.00 0.00 N ATOM 1735 CA CYS A 113 -16.632 -6.902 10.584 1.00 0.00 C ATOM 1736 C CYS A 113 -16.530 -5.633 9.712 1.00 0.00 C ATOM 1737 O CYS A 113 -15.805 -4.701 10.065 1.00 0.00 O ATOM 1738 CB CYS A 113 -15.952 -8.133 9.953 1.00 0.00 C ATOM 1739 SG CYS A 113 -15.887 -9.507 11.145 1.00 0.00 S ATOM 0 H CYS A 113 -18.336 -8.099 10.410 1.00 0.00 H new ATOM 0 HA CYS A 113 -16.104 -6.648 11.503 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -16.500 -8.442 9.063 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -14.943 -7.874 9.632 1.00 0.00 H new ATOM 0 HG CYS A 113 -17.034 -10.119 11.165 1.00 0.00 H new ATOM 1745 N GLU A 114 -17.293 -5.561 8.617 1.00 0.00 N ATOM 1746 CA GLU A 114 -17.333 -4.378 7.743 1.00 0.00 C ATOM 1747 C GLU A 114 -17.850 -3.134 8.481 1.00 0.00 C ATOM 1748 O GLU A 114 -17.243 -2.068 8.417 1.00 0.00 O ATOM 1749 CB GLU A 114 -18.233 -4.644 6.524 1.00 0.00 C ATOM 1750 CG GLU A 114 -17.681 -5.705 5.566 1.00 0.00 C ATOM 1751 CD GLU A 114 -18.643 -5.926 4.389 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -19.805 -6.339 4.621 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -18.241 -5.686 3.226 1.00 0.00 O ATOM 0 H GLU A 114 -17.901 -6.320 8.309 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.310 -4.187 7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.217 -4.959 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.372 -3.712 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -16.706 -5.392 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.531 -6.643 6.101 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.950 -3.248 9.224 1.00 0.00 N ATOM 1761 CA HIS A 115 -19.560 -2.144 9.965 1.00 0.00 C ATOM 1762 C HIS A 115 -18.637 -1.641 11.092 1.00 0.00 C ATOM 1763 O HIS A 115 -18.597 -0.441 11.361 1.00 0.00 O ATOM 1764 CB HIS A 115 -20.937 -2.574 10.497 1.00 0.00 C ATOM 1765 CG HIS A 115 -21.734 -1.451 11.122 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -22.492 -1.531 12.272 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -21.892 -0.179 10.630 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -23.073 -0.335 12.471 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -22.736 0.528 11.493 1.00 0.00 N ATOM 0 H HIS A 115 -19.453 -4.129 9.330 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.703 -1.303 9.287 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -21.514 -3.003 9.677 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -20.799 -3.363 11.236 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -21.441 0.210 9.729 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -23.721 -0.098 13.302 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -23.035 1.499 11.401 1.00 0.00 H new ATOM 1777 N PHE A 116 -17.835 -2.521 11.710 1.00 0.00 N ATOM 1778 CA PHE A 116 -16.775 -2.134 12.645 1.00 0.00 C ATOM 1779 C PHE A 116 -15.776 -1.174 11.975 1.00 0.00 C ATOM 1780 O PHE A 116 -15.654 -0.031 12.417 1.00 0.00 O ATOM 1781 CB PHE A 116 -16.122 -3.402 13.228 1.00 0.00 C ATOM 1782 CG PHE A 116 -14.726 -3.217 13.797 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -14.521 -2.406 14.928 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -13.627 -3.845 13.175 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -13.225 -2.219 15.437 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -12.331 -3.668 13.696 1.00 0.00 C ATOM 1787 CZ PHE A 116 -12.132 -2.859 14.829 1.00 0.00 C ATOM 0 H PHE A 116 -17.907 -3.529 11.572 1.00 0.00 H new ATOM 0 HA PHE A 116 -17.196 -1.576 13.482 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -16.767 -3.793 14.015 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -16.079 -4.160 12.446 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -15.362 -1.926 15.406 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -13.779 -4.461 12.301 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -13.069 -1.583 16.296 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -11.489 -4.154 13.225 1.00 0.00 H new ATOM 0 HZ PHE A 116 -11.138 -2.730 15.232 1.00 0.00 H new ATOM 1797 N VAL A 117 -15.124 -1.572 10.874 1.00 0.00 N ATOM 1798 CA VAL A 117 -14.156 -0.674 10.191 1.00 0.00 C ATOM 1799 C VAL A 117 -14.816 0.539 9.509 1.00 0.00 C ATOM 1800 O VAL A 117 -14.195 1.597 9.388 1.00 0.00 O ATOM 1801 CB VAL A 117 -13.212 -1.404 9.206 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -12.218 -2.279 9.985 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.933 -2.225 8.128 1.00 0.00 C ATOM 0 H VAL A 117 -15.238 -2.487 10.438 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.539 -0.295 11.006 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.679 -0.624 8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.557 -2.790 9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.626 -1.652 10.652 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.765 -3.017 10.572 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.197 -2.703 7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.549 -2.989 8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.566 -1.567 7.533 1.00 0.00 H new ATOM 1813 N THR A 118 -16.094 0.428 9.123 1.00 0.00 N ATOM 1814 CA THR A 118 -16.878 1.555 8.585 1.00 0.00 C ATOM 1815 C THR A 118 -17.161 2.573 9.685 1.00 0.00 C ATOM 1816 O THR A 118 -16.978 3.752 9.436 1.00 0.00 O ATOM 1817 CB THR A 118 -18.145 1.073 7.860 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.772 0.087 6.921 1.00 0.00 O ATOM 1819 CG2 THR A 118 -18.823 2.182 7.048 1.00 0.00 C ATOM 0 H THR A 118 -16.617 -0.446 9.174 1.00 0.00 H new ATOM 0 HA THR A 118 -16.286 2.063 7.824 1.00 0.00 H new ATOM 0 HB THR A 118 -18.830 0.714 8.628 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.758 -0.791 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.711 1.783 6.558 1.00 0.00 H new ATOM 0 HG22 THR A 118 -19.110 2.996 7.713 1.00 0.00 H new ATOM 0 HG23 THR A 118 -18.130 2.556 6.294 1.00 0.00 H new ATOM 1827 N GLN A 119 -17.472 2.165 10.913 1.00 0.00 N ATOM 1828 CA GLN A 119 -17.592 3.101 12.042 1.00 0.00 C ATOM 1829 C GLN A 119 -16.256 3.755 12.433 1.00 0.00 C ATOM 1830 O GLN A 119 -16.271 4.882 12.927 1.00 0.00 O ATOM 1831 CB GLN A 119 -18.214 2.388 13.249 1.00 0.00 C ATOM 1832 CG GLN A 119 -19.721 2.153 13.067 1.00 0.00 C ATOM 1833 CD GLN A 119 -20.241 1.153 14.098 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -20.889 1.490 15.084 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -19.932 -0.116 13.916 1.00 0.00 N ATOM 0 H GLN A 119 -17.647 1.190 11.158 1.00 0.00 H new ATOM 0 HA GLN A 119 -18.244 3.910 11.714 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -17.714 1.432 13.402 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -18.046 2.983 14.147 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -20.256 3.097 13.167 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -19.917 1.781 12.061 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -19.393 -0.397 13.097 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -20.232 -0.816 14.594 1.00 0.00 H new ATOM 1844 N LEU A 120 -15.104 3.107 12.188 1.00 0.00 N ATOM 1845 CA LEU A 120 -13.788 3.722 12.430 1.00 0.00 C ATOM 1846 C LEU A 120 -13.485 4.887 11.474 1.00 0.00 C ATOM 1847 O LEU A 120 -12.901 5.880 11.910 1.00 0.00 O ATOM 1848 CB LEU A 120 -12.672 2.658 12.373 1.00 0.00 C ATOM 1849 CG LEU A 120 -12.714 1.606 13.499 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -11.586 0.590 13.293 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -12.554 2.245 14.882 1.00 0.00 C ATOM 0 H LEU A 120 -15.058 2.156 11.822 1.00 0.00 H new ATOM 0 HA LEU A 120 -13.821 4.148 13.433 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.730 2.144 11.414 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -11.707 3.164 12.405 1.00 0.00 H new ATOM 0 HG LEU A 120 -13.687 1.117 13.456 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -11.616 -0.154 14.089 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.713 0.096 12.330 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -10.625 1.104 13.313 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -12.589 1.470 15.647 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.597 2.764 14.935 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -13.362 2.957 15.050 1.00 0.00 H new ATOM 1863 N ARG A 121 -13.872 4.787 10.191 1.00 0.00 N ATOM 1864 CA ARG A 121 -13.507 5.760 9.145 1.00 0.00 C ATOM 1865 C ARG A 121 -14.605 6.115 8.124 1.00 0.00 C ATOM 1866 O ARG A 121 -14.309 6.407 6.968 1.00 0.00 O ATOM 1867 CB ARG A 121 -12.158 5.322 8.551 1.00 0.00 C ATOM 1868 CG ARG A 121 -12.009 3.902 7.977 1.00 0.00 C ATOM 1869 CD ARG A 121 -12.900 3.568 6.776 1.00 0.00 C ATOM 1870 NE ARG A 121 -12.432 2.323 6.135 1.00 0.00 N ATOM 1871 CZ ARG A 121 -13.133 1.258 5.757 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -14.440 1.190 5.876 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -12.518 0.231 5.219 1.00 0.00 N ATOM 0 H ARG A 121 -14.452 4.022 9.847 1.00 0.00 H new ATOM 0 HA ARG A 121 -13.393 6.739 9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -11.908 6.024 7.755 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -11.404 5.441 9.329 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -10.969 3.757 7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -12.220 3.186 8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -13.934 3.454 7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -12.879 4.387 6.058 1.00 0.00 H new ATOM 0 HE ARG A 121 -11.429 2.273 5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -14.958 1.975 6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -14.937 0.352 5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -11.506 0.252 5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -13.052 -0.588 4.928 1.00 0.00 H new ATOM 1887 N TYR A 122 -15.867 6.150 8.563 1.00 0.00 N ATOM 1888 CA TYR A 122 -17.090 6.400 7.761 1.00 0.00 C ATOM 1889 C TYR A 122 -16.992 7.689 6.923 1.00 0.00 C ATOM 1890 O TYR A 122 -17.423 7.752 5.771 1.00 0.00 O ATOM 1891 CB TYR A 122 -18.293 6.496 8.736 1.00 0.00 C ATOM 1892 CG TYR A 122 -19.535 5.696 8.364 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -20.099 5.795 7.077 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -20.147 4.863 9.325 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -21.248 5.053 6.742 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -21.293 4.113 8.999 1.00 0.00 C ATOM 1897 CZ TYR A 122 -21.848 4.205 7.703 1.00 0.00 C ATOM 1898 OH TYR A 122 -22.956 3.485 7.375 1.00 0.00 O ATOM 0 H TYR A 122 -16.086 5.996 9.547 1.00 0.00 H new ATOM 0 HA TYR A 122 -17.217 5.578 7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -17.960 6.171 9.722 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -18.577 7.545 8.826 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -19.647 6.445 6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -19.732 4.800 10.320 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -21.671 5.131 5.752 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -21.747 3.469 9.738 1.00 0.00 H new ATOM 0 HH TYR A 122 -23.241 2.953 8.147 1.00 0.00 H new ATOM 1908 N GLY A 123 -16.395 8.710 7.547 1.00 0.00 N ATOM 1909 CA GLY A 123 -16.161 10.058 6.996 1.00 0.00 C ATOM 1910 C GLY A 123 -15.384 10.935 7.973 1.00 0.00 C ATOM 1911 O GLY A 123 -15.779 12.059 8.245 1.00 0.00 O ATOM 0 H GLY A 123 -16.042 8.618 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -15.609 9.978 6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.117 10.528 6.764 1.00 0.00 H new ATOM 1915 N LYS A 124 -14.334 10.331 8.558 1.00 0.00 N ATOM 1916 CA LYS A 124 -13.489 10.761 9.702 1.00 0.00 C ATOM 1917 C LYS A 124 -14.062 10.204 11.028 1.00 0.00 C ATOM 1918 O LYS A 124 -13.312 10.015 11.985 1.00 0.00 O ATOM 1919 CB LYS A 124 -13.172 12.279 9.707 1.00 0.00 C ATOM 1920 CG LYS A 124 -14.026 13.142 10.657 1.00 0.00 C ATOM 1921 CD LYS A 124 -13.747 14.637 10.448 1.00 0.00 C ATOM 1922 CE LYS A 124 -14.498 15.529 11.452 1.00 0.00 C ATOM 1923 NZ LYS A 124 -15.974 15.512 11.252 1.00 0.00 N ATOM 0 H LYS A 124 -14.016 9.428 8.206 1.00 0.00 H new ATOM 0 HA LYS A 124 -12.501 10.317 9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -12.123 12.411 9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -13.295 12.659 8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -15.083 12.939 10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -13.812 12.870 11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -12.676 14.818 10.538 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -14.034 14.917 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -14.270 15.198 12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -14.136 16.553 11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -16.427 16.130 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -16.199 15.853 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -16.328 14.541 11.365 1.00 0.00 H new ATOM 1937 N SER A 125 -15.369 9.886 11.007 1.00 0.00 N ATOM 1938 CA SER A 125 -16.243 9.157 11.958 1.00 0.00 C ATOM 1939 C SER A 125 -17.019 10.083 12.913 1.00 0.00 C ATOM 1940 O SER A 125 -18.118 9.679 13.359 1.00 0.00 O ATOM 1941 CB SER A 125 -15.556 8.012 12.704 1.00 0.00 C ATOM 1942 OG SER A 125 -14.625 8.510 13.635 1.00 0.00 O ATOM 1943 OXT SER A 125 -16.567 11.226 13.166 1.00 0.00 O ATOM 0 H SER A 125 -15.923 10.177 10.202 1.00 0.00 H new ATOM 0 HA SER A 125 -16.982 8.681 11.313 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.303 7.407 13.218 1.00 0.00 H new ATOM 0 HB3 SER A 125 -15.051 7.359 11.992 1.00 0.00 H new ATOM 0 HG SER A 125 -13.840 8.855 13.160 1.00 0.00 H new