USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 558 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 67 CYS SG : rot 150:sc= 0.49 USER MOD Set 1.2: A 70 CYS SG : rot -40:sc= -2.07 USER MOD Set 1.3: A 83 HIS : no HE2:sc= -2.64! X(o=-3.6!,f=-4.1) USER MOD Set 1.4: A 87 HIS : no HD1:sc= 0.571 K(o=-3.6,f=-8.2!) USER MOD Set 2.1: A 39 CYS SG : rot -152:sc= 0.426 USER MOD Set 2.2: A 42 CYS SG : rot 146:sc= 0.358 USER MOD Set 2.3: A 55 HIS : no HE2:sc= 0.213 K(o=0.26,f=-0.86) USER MOD Set 2.4: A 59 HIS : no HE2:sc= -0.739 X(o=0.26,f=0.61) USER MOD Set 3.1: A 44 TYR OH : rot -150:sc= 0.513 USER MOD Set 3.2: A 51 SER OG : rot 173:sc= 0.461 USER MOD Set 4.1: A 11 CYS SG : rot 60:sc= -0.878 USER MOD Set 4.2: A 14 CYS SG : rot -55:sc= -1.28 USER MOD Set 4.3: A 27 HIS : no HD1:sc= -2.88 K(o=-7.7,f=-9) USER MOD Set 4.4: A 31 HIS : no HD1:sc= -2.66! K(o=-7.7!,f=-10) USER MOD Single : A 9 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.014) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0118 (180deg=-0.139) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.0412 (180deg=-0.295) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc=0.000456 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0591 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.066 K(o=-0.066,f=-0.88) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0357 K(o=-0.036,f=-1.8) USER MOD Single : A 72 TYR OH : rot 165:sc= 0 USER MOD Single : A 74 SER OG : rot 109:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0435 K(o=-0.043,f=-2.5!) USER MOD Single : A 77 SER OG : rot 84:sc= 0.0238 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 88:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 16.920 -6.230 7.913 1.00 0.00 N ATOM 81 CA HIS A 9 15.590 -6.338 7.324 1.00 0.00 C ATOM 82 C HIS A 9 15.524 -7.504 6.342 1.00 0.00 C ATOM 83 O HIS A 9 16.062 -7.430 5.237 1.00 0.00 O ATOM 84 CB HIS A 9 15.216 -5.037 6.614 1.00 0.00 C ATOM 85 CG HIS A 9 14.913 -3.909 7.552 1.00 0.00 C ATOM 86 ND1 HIS A 9 13.638 -3.428 7.765 1.00 0.00 N ATOM 87 CD2 HIS A 9 15.729 -3.167 8.337 1.00 0.00 C ATOM 88 CE1 HIS A 9 13.683 -2.438 8.638 1.00 0.00 C ATOM 89 NE2 HIS A 9 14.941 -2.260 9.001 1.00 0.00 N ATOM 0 HA HIS A 9 14.878 -6.522 8.128 1.00 0.00 H new ATOM 0 HB2 HIS A 9 16.035 -4.743 5.957 1.00 0.00 H new ATOM 0 HB3 HIS A 9 14.347 -5.215 5.980 1.00 0.00 H new ATOM 0 HD2 HIS A 9 16.801 -3.270 8.425 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.836 -1.871 8.994 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.273 -1.562 9.667 1.00 0.00 H new ATOM 97 N LYS A 10 14.863 -8.581 6.753 1.00 0.00 N ATOM 98 CA LYS A 10 14.726 -9.763 5.910 1.00 0.00 C ATOM 99 C LYS A 10 13.285 -9.931 5.438 1.00 0.00 C ATOM 100 O LYS A 10 12.343 -9.744 6.208 1.00 0.00 O ATOM 101 CB LYS A 10 15.173 -11.012 6.672 1.00 0.00 C ATOM 102 CG LYS A 10 14.050 -11.692 7.437 1.00 0.00 C ATOM 103 CD LYS A 10 14.504 -13.013 8.036 1.00 0.00 C ATOM 104 CE LYS A 10 14.480 -14.130 7.005 1.00 0.00 C ATOM 105 NZ LYS A 10 14.517 -15.475 7.643 1.00 0.00 N ATOM 0 H LYS A 10 14.414 -8.660 7.665 1.00 0.00 H new ATOM 0 HA LYS A 10 15.363 -9.631 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.604 -11.723 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.963 -10.738 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.698 -11.033 8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.206 -11.865 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.513 -12.905 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.857 -13.275 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.581 -14.042 6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.332 -14.023 6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.499 -16.209 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.387 -15.569 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 13.690 -15.588 8.264 1.00 0.00 H new ATOM 119 N CYS A 11 13.121 -10.285 4.168 1.00 0.00 N ATOM 120 CA CYS A 11 11.796 -10.480 3.593 1.00 0.00 C ATOM 121 C CYS A 11 10.973 -11.448 4.437 1.00 0.00 C ATOM 122 O CYS A 11 11.451 -11.969 5.444 1.00 0.00 O ATOM 123 CB CYS A 11 11.910 -11.006 2.160 1.00 0.00 C ATOM 124 SG CYS A 11 10.521 -10.533 1.082 1.00 0.00 S ATOM 0 H CYS A 11 13.890 -10.443 3.517 1.00 0.00 H new ATOM 0 HA CYS A 11 11.289 -9.515 3.580 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.838 -10.638 1.722 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.980 -12.093 2.188 1.00 0.00 H new ATOM 0 HG CYS A 11 10.449 -9.237 1.010 1.00 0.00 H new ATOM 129 N GLU A 12 9.733 -11.683 4.019 1.00 0.00 N ATOM 130 CA GLU A 12 8.844 -12.588 4.738 1.00 0.00 C ATOM 131 C GLU A 12 8.186 -13.578 3.781 1.00 0.00 C ATOM 132 O GLU A 12 8.060 -14.764 4.087 1.00 0.00 O ATOM 133 CB GLU A 12 7.770 -11.796 5.487 1.00 0.00 C ATOM 134 CG GLU A 12 6.972 -10.859 4.596 1.00 0.00 C ATOM 135 CD GLU A 12 5.784 -10.244 5.311 1.00 0.00 C ATOM 136 OE1 GLU A 12 5.114 -10.966 6.078 1.00 0.00 O ATOM 137 OE2 GLU A 12 5.526 -9.040 5.103 1.00 0.00 O ATOM 0 H GLU A 12 9.322 -11.260 3.187 1.00 0.00 H new ATOM 0 HA GLU A 12 9.442 -13.147 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.086 -12.494 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.244 -11.215 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.625 -10.064 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.621 -11.407 3.721 1.00 0.00 H new ATOM 144 N VAL A 13 7.768 -13.082 2.621 1.00 0.00 N ATOM 145 CA VAL A 13 7.123 -13.922 1.619 1.00 0.00 C ATOM 146 C VAL A 13 8.059 -15.029 1.145 1.00 0.00 C ATOM 147 O VAL A 13 7.637 -16.168 0.939 1.00 0.00 O ATOM 148 CB VAL A 13 6.668 -13.095 0.402 1.00 0.00 C ATOM 149 CG1 VAL A 13 5.366 -12.370 0.706 1.00 0.00 C ATOM 150 CG2 VAL A 13 7.752 -12.110 -0.008 1.00 0.00 C ATOM 0 H VAL A 13 7.864 -12.103 2.352 1.00 0.00 H new ATOM 0 HA VAL A 13 6.249 -14.367 2.094 1.00 0.00 H new ATOM 0 HB VAL A 13 6.492 -13.775 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.060 -11.791 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.592 -13.098 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.512 -11.700 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.413 -11.534 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.962 -11.434 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.659 -12.655 -0.270 1.00 0.00 H new ATOM 160 N CYS A 14 9.332 -14.688 0.975 1.00 0.00 N ATOM 161 CA CYS A 14 10.329 -15.651 0.525 1.00 0.00 C ATOM 162 C CYS A 14 11.353 -15.926 1.623 1.00 0.00 C ATOM 163 O CYS A 14 11.778 -17.064 1.820 1.00 0.00 O ATOM 164 CB CYS A 14 11.036 -15.138 -0.730 1.00 0.00 C ATOM 165 SG CYS A 14 12.069 -13.663 -0.452 1.00 0.00 S ATOM 0 H CYS A 14 9.697 -13.751 1.142 1.00 0.00 H new ATOM 0 HA CYS A 14 9.816 -16.583 0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.661 -15.935 -1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.287 -14.906 -1.487 1.00 0.00 H new ATOM 0 HG CYS A 14 11.351 -12.727 0.093 1.00 0.00 H new ATOM 170 N GLY A 15 11.745 -14.874 2.335 1.00 0.00 N ATOM 171 CA GLY A 15 12.716 -15.022 3.404 1.00 0.00 C ATOM 172 C GLY A 15 14.134 -14.750 2.941 1.00 0.00 C ATOM 173 O GLY A 15 15.055 -15.501 3.264 1.00 0.00 O ATOM 0 H GLY A 15 11.408 -13.922 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.465 -14.339 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.656 -16.033 3.807 1.00 0.00 H new ATOM 177 N LYS A 16 14.310 -13.675 2.181 1.00 0.00 N ATOM 178 CA LYS A 16 15.625 -13.305 1.672 1.00 0.00 C ATOM 179 C LYS A 16 16.277 -12.252 2.562 1.00 0.00 C ATOM 180 O LYS A 16 15.632 -11.687 3.446 1.00 0.00 O ATOM 181 CB LYS A 16 15.510 -12.777 0.240 1.00 0.00 C ATOM 182 CG LYS A 16 16.743 -13.042 -0.607 1.00 0.00 C ATOM 183 CD LYS A 16 16.497 -12.709 -2.069 1.00 0.00 C ATOM 184 CE LYS A 16 16.851 -11.263 -2.379 1.00 0.00 C ATOM 185 NZ LYS A 16 18.323 -11.041 -2.385 1.00 0.00 N ATOM 0 H LYS A 16 13.558 -13.044 1.904 1.00 0.00 H new ATOM 0 HA LYS A 16 16.252 -14.197 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.645 -13.236 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.325 -11.703 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.577 -12.448 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.031 -14.089 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.089 -13.373 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.450 -12.889 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.438 -10.988 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.388 -10.609 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.536 -10.138 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.674 -11.012 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.789 -11.817 -2.897 1.00 0.00 H new ATOM 199 N CYS A 17 17.558 -11.993 2.324 1.00 0.00 N ATOM 200 CA CYS A 17 18.297 -11.007 3.104 1.00 0.00 C ATOM 201 C CYS A 17 18.698 -9.818 2.238 1.00 0.00 C ATOM 202 O CYS A 17 18.807 -9.934 1.017 1.00 0.00 O ATOM 203 CB CYS A 17 19.542 -11.645 3.723 1.00 0.00 C ATOM 204 SG CYS A 17 20.735 -12.263 2.513 1.00 0.00 S ATOM 0 H CYS A 17 18.106 -12.452 1.597 1.00 0.00 H new ATOM 0 HA CYS A 17 17.646 -10.649 3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 17 20.035 -10.911 4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.233 -12.469 4.366 1.00 0.00 H new ATOM 0 HG CYS A 17 21.753 -12.782 3.133 1.00 0.00 H new ATOM 210 N PHE A 18 18.915 -8.673 2.878 1.00 0.00 N ATOM 211 CA PHE A 18 19.302 -7.461 2.166 1.00 0.00 C ATOM 212 C PHE A 18 20.240 -6.608 3.014 1.00 0.00 C ATOM 213 O PHE A 18 20.502 -6.921 4.175 1.00 0.00 O ATOM 214 CB PHE A 18 18.061 -6.650 1.785 1.00 0.00 C ATOM 215 CG PHE A 18 17.072 -7.420 0.958 1.00 0.00 C ATOM 216 CD1 PHE A 18 16.066 -8.155 1.563 1.00 0.00 C ATOM 217 CD2 PHE A 18 17.149 -7.409 -0.426 1.00 0.00 C ATOM 218 CE1 PHE A 18 15.154 -8.865 0.805 1.00 0.00 C ATOM 219 CE2 PHE A 18 16.240 -8.116 -1.189 1.00 0.00 C ATOM 220 CZ PHE A 18 15.242 -8.846 -0.574 1.00 0.00 C ATOM 0 H PHE A 18 18.829 -8.560 3.888 1.00 0.00 H new ATOM 0 HA PHE A 18 19.828 -7.755 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.570 -6.303 2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.372 -5.763 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 18 15.993 -8.174 2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 18 17.928 -6.841 -0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.374 -9.434 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.310 -8.098 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 18 14.532 -9.401 -1.169 1.00 0.00 H new ATOM 230 N SER A 19 20.744 -5.528 2.424 1.00 0.00 N ATOM 231 CA SER A 19 21.658 -4.632 3.123 1.00 0.00 C ATOM 232 C SER A 19 20.968 -3.316 3.469 1.00 0.00 C ATOM 233 O SER A 19 20.983 -2.879 4.620 1.00 0.00 O ATOM 234 CB SER A 19 22.896 -4.361 2.266 1.00 0.00 C ATOM 235 OG SER A 19 23.750 -5.492 2.232 1.00 0.00 O ATOM 0 H SER A 19 20.535 -5.253 1.464 1.00 0.00 H new ATOM 0 HA SER A 19 21.966 -5.117 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.591 -4.101 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 19 23.438 -3.504 2.665 1.00 0.00 H new ATOM 0 HG SER A 19 24.533 -5.294 1.677 1.00 0.00 H new ATOM 241 N ARG A 20 20.363 -2.689 2.465 1.00 0.00 N ATOM 242 CA ARG A 20 19.669 -1.423 2.663 1.00 0.00 C ATOM 243 C ARG A 20 18.156 -1.621 2.628 1.00 0.00 C ATOM 244 O ARG A 20 17.655 -2.547 1.990 1.00 0.00 O ATOM 245 CB ARG A 20 20.086 -0.415 1.590 1.00 0.00 C ATOM 246 CG ARG A 20 21.590 -0.220 1.491 1.00 0.00 C ATOM 247 CD ARG A 20 22.012 0.152 0.078 1.00 0.00 C ATOM 248 NE ARG A 20 21.656 1.529 -0.255 1.00 0.00 N ATOM 249 CZ ARG A 20 21.696 2.021 -1.488 1.00 0.00 C ATOM 250 NH1 ARG A 20 22.073 1.252 -2.500 1.00 0.00 N ATOM 251 NH2 ARG A 20 21.357 3.285 -1.711 1.00 0.00 N ATOM 0 H ARG A 20 20.340 -3.038 1.507 1.00 0.00 H new ATOM 0 HA ARG A 20 19.946 -1.036 3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.707 -0.748 0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 20 19.617 0.545 1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.903 0.562 2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 20 22.097 -1.136 1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 20 23.089 0.021 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.539 -0.527 -0.632 1.00 0.00 H new ATOM 0 HE ARG A 20 21.360 2.147 0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.333 0.280 -2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.103 1.632 -3.446 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.065 3.879 -0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.388 3.662 -2.658 1.00 0.00 H new ATOM 265 N LYS A 21 17.434 -0.746 3.318 1.00 0.00 N ATOM 266 CA LYS A 21 15.979 -0.823 3.367 1.00 0.00 C ATOM 267 C LYS A 21 15.377 -0.642 1.977 1.00 0.00 C ATOM 268 O LYS A 21 14.397 -1.297 1.624 1.00 0.00 O ATOM 269 CB LYS A 21 15.422 0.240 4.317 1.00 0.00 C ATOM 270 CG LYS A 21 15.292 -0.237 5.753 1.00 0.00 C ATOM 271 CD LYS A 21 14.171 0.486 6.482 1.00 0.00 C ATOM 272 CE LYS A 21 14.590 1.889 6.896 1.00 0.00 C ATOM 273 NZ LYS A 21 13.597 2.516 7.812 1.00 0.00 N ATOM 0 H LYS A 21 17.833 0.026 3.852 1.00 0.00 H new ATOM 0 HA LYS A 21 15.706 -1.811 3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.071 1.115 4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.443 0.559 3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.102 -1.310 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.233 -0.074 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.293 0.542 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.882 -0.084 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.562 1.848 7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.708 2.510 6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.918 3.471 8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.675 2.579 7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.503 1.937 8.671 1.00 0.00 H new ATOM 287 N ASP A 22 15.972 0.250 1.192 1.00 0.00 N ATOM 288 CA ASP A 22 15.496 0.516 -0.161 1.00 0.00 C ATOM 289 C ASP A 22 15.443 -0.770 -0.980 1.00 0.00 C ATOM 290 O ASP A 22 14.436 -1.068 -1.623 1.00 0.00 O ATOM 291 CB ASP A 22 16.401 1.538 -0.851 1.00 0.00 C ATOM 292 CG ASP A 22 16.162 2.950 -0.355 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.999 3.279 -0.040 1.00 0.00 O ATOM 294 OD2 ASP A 22 17.137 3.727 -0.283 1.00 0.00 O ATOM 0 H ASP A 22 16.784 0.801 1.469 1.00 0.00 H new ATOM 0 HA ASP A 22 14.488 0.924 -0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.444 1.268 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.232 1.500 -1.927 1.00 0.00 H new ATOM 299 N LYS A 23 16.534 -1.528 -0.953 1.00 0.00 N ATOM 300 CA LYS A 23 16.613 -2.782 -1.692 1.00 0.00 C ATOM 301 C LYS A 23 15.309 -3.566 -1.575 1.00 0.00 C ATOM 302 O LYS A 23 14.801 -4.097 -2.564 1.00 0.00 O ATOM 303 CB LYS A 23 17.778 -3.630 -1.177 1.00 0.00 C ATOM 304 CG LYS A 23 19.138 -3.149 -1.653 1.00 0.00 C ATOM 305 CD LYS A 23 19.534 -3.809 -2.964 1.00 0.00 C ATOM 306 CE LYS A 23 20.151 -5.180 -2.733 1.00 0.00 C ATOM 307 NZ LYS A 23 21.492 -5.084 -2.092 1.00 0.00 N ATOM 0 H LYS A 23 17.376 -1.295 -0.427 1.00 0.00 H new ATOM 0 HA LYS A 23 16.781 -2.545 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 23 17.763 -3.629 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.635 -4.662 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 23 19.118 -2.067 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 23 19.889 -3.367 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 23 18.656 -3.907 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 23 20.244 -3.173 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.489 -5.775 -2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.240 -5.703 -3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 22.018 -5.966 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 22.018 -4.287 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 21.378 -4.931 -1.070 1.00 0.00 H new ATOM 321 N LEU A 24 14.772 -3.634 -0.362 1.00 0.00 N ATOM 322 CA LEU A 24 13.526 -4.352 -0.116 1.00 0.00 C ATOM 323 C LEU A 24 12.351 -3.647 -0.785 1.00 0.00 C ATOM 324 O LEU A 24 11.492 -4.287 -1.391 1.00 0.00 O ATOM 325 CB LEU A 24 13.274 -4.475 1.387 1.00 0.00 C ATOM 326 CG LEU A 24 11.990 -5.199 1.796 1.00 0.00 C ATOM 327 CD1 LEU A 24 12.196 -6.705 1.770 1.00 0.00 C ATOM 328 CD2 LEU A 24 11.537 -4.743 3.175 1.00 0.00 C ATOM 0 H LEU A 24 15.180 -3.201 0.467 1.00 0.00 H new ATOM 0 HA LEU A 24 13.619 -5.350 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.120 -4.996 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.254 -3.473 1.815 1.00 0.00 H new ATOM 0 HG LEU A 24 11.209 -4.948 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.272 -7.204 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.472 -7.017 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.991 -6.976 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.622 -5.268 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.316 -4.964 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.348 -3.670 3.159 1.00 0.00 H new ATOM 340 N LYS A 25 12.319 -2.323 -0.672 1.00 0.00 N ATOM 341 CA LYS A 25 11.252 -1.529 -1.268 1.00 0.00 C ATOM 342 C LYS A 25 10.864 -2.079 -2.637 1.00 0.00 C ATOM 343 O LYS A 25 9.702 -2.408 -2.880 1.00 0.00 O ATOM 344 CB LYS A 25 11.687 -0.068 -1.399 1.00 0.00 C ATOM 345 CG LYS A 25 10.526 0.906 -1.501 1.00 0.00 C ATOM 346 CD LYS A 25 10.896 2.275 -0.955 1.00 0.00 C ATOM 347 CE LYS A 25 11.590 3.125 -2.008 1.00 0.00 C ATOM 348 NZ LYS A 25 12.114 4.397 -1.437 1.00 0.00 N ATOM 0 H LYS A 25 13.021 -1.777 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 25 10.383 -1.586 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.299 0.199 -0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.317 0.037 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.219 1.000 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.671 0.513 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.997 2.785 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.550 2.159 -0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.411 2.559 -2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.890 3.349 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.220 5.100 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.450 4.756 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.039 4.224 -0.994 1.00 0.00 H new ATOM 362 N THR A 26 11.844 -2.179 -3.529 1.00 0.00 N ATOM 363 CA THR A 26 11.605 -2.690 -4.873 1.00 0.00 C ATOM 364 C THR A 26 11.389 -4.199 -4.858 1.00 0.00 C ATOM 365 O THR A 26 10.573 -4.727 -5.615 1.00 0.00 O ATOM 366 CB THR A 26 12.778 -2.360 -5.816 1.00 0.00 C ATOM 367 OG1 THR A 26 13.089 -0.964 -5.743 1.00 0.00 O ATOM 368 CG2 THR A 26 12.441 -2.735 -7.251 1.00 0.00 C ATOM 0 H THR A 26 12.811 -1.913 -3.345 1.00 0.00 H new ATOM 0 HA THR A 26 10.703 -2.201 -5.241 1.00 0.00 H new ATOM 0 HB THR A 26 13.644 -2.941 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.837 -0.764 -6.344 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.284 -2.493 -7.898 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.235 -3.804 -7.309 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.562 -2.178 -7.576 1.00 0.00 H new ATOM 376 N HIS A 27 12.124 -4.888 -3.991 1.00 0.00 N ATOM 377 CA HIS A 27 12.011 -6.338 -3.877 1.00 0.00 C ATOM 378 C HIS A 27 10.558 -6.782 -4.017 1.00 0.00 C ATOM 379 O HIS A 27 10.250 -7.698 -4.779 1.00 0.00 O ATOM 380 CB HIS A 27 12.573 -6.810 -2.536 1.00 0.00 C ATOM 381 CG HIS A 27 12.663 -8.300 -2.415 1.00 0.00 C ATOM 382 ND1 HIS A 27 13.350 -9.088 -3.315 1.00 0.00 N ATOM 383 CD2 HIS A 27 12.150 -9.146 -1.492 1.00 0.00 C ATOM 384 CE1 HIS A 27 13.253 -10.355 -2.952 1.00 0.00 C ATOM 385 NE2 HIS A 27 12.530 -10.417 -1.848 1.00 0.00 N ATOM 0 H HIS A 27 12.803 -4.466 -3.358 1.00 0.00 H new ATOM 0 HA HIS A 27 12.590 -6.788 -4.684 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.566 -6.382 -2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.944 -6.426 -1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.553 -8.873 -0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.690 -11.196 -3.469 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.293 -11.270 -1.342 1.00 0.00 H new ATOM 393 N MET A 28 9.670 -6.128 -3.276 1.00 0.00 N ATOM 394 CA MET A 28 8.250 -6.456 -3.318 1.00 0.00 C ATOM 395 C MET A 28 7.727 -6.423 -4.751 1.00 0.00 C ATOM 396 O MET A 28 6.919 -7.264 -5.146 1.00 0.00 O ATOM 397 CB MET A 28 7.453 -5.481 -2.449 1.00 0.00 C ATOM 398 CG MET A 28 7.753 -5.606 -0.964 1.00 0.00 C ATOM 399 SD MET A 28 6.837 -6.948 -0.181 1.00 0.00 S ATOM 400 CE MET A 28 8.160 -7.814 0.661 1.00 0.00 C ATOM 0 H MET A 28 9.909 -5.368 -2.639 1.00 0.00 H new ATOM 0 HA MET A 28 8.124 -7.466 -2.927 1.00 0.00 H new ATOM 0 HB2 MET A 28 7.668 -4.462 -2.770 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.388 -5.649 -2.612 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.821 -5.771 -0.826 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.509 -4.667 -0.468 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.752 -8.673 1.193 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.894 -8.155 -0.069 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.641 -7.142 1.372 1.00 0.00 H new ATOM 410 N ARG A 29 8.191 -5.446 -5.523 1.00 0.00 N ATOM 411 CA ARG A 29 7.769 -5.303 -6.911 1.00 0.00 C ATOM 412 C ARG A 29 7.929 -6.619 -7.667 1.00 0.00 C ATOM 413 O ARG A 29 7.089 -6.978 -8.492 1.00 0.00 O ATOM 414 CB ARG A 29 8.578 -4.204 -7.602 1.00 0.00 C ATOM 415 CG ARG A 29 8.431 -2.838 -6.951 1.00 0.00 C ATOM 416 CD ARG A 29 7.301 -2.040 -7.580 1.00 0.00 C ATOM 417 NE ARG A 29 7.325 -0.639 -7.168 1.00 0.00 N ATOM 418 CZ ARG A 29 6.797 -0.197 -6.032 1.00 0.00 C ATOM 419 NH1 ARG A 29 6.208 -1.043 -5.198 1.00 0.00 N ATOM 420 NH2 ARG A 29 6.859 1.093 -5.727 1.00 0.00 N ATOM 0 H ARG A 29 8.859 -4.742 -5.211 1.00 0.00 H new ATOM 0 HA ARG A 29 6.715 -5.027 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.631 -4.485 -7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.266 -4.136 -8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.242 -2.961 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.366 -2.285 -7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.376 -2.100 -8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.345 -2.484 -7.301 1.00 0.00 H new ATOM 0 HE ARG A 29 7.772 0.038 -7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.160 -2.036 -5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.803 -0.701 -4.326 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.313 1.747 -6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.453 1.431 -4.854 1.00 0.00 H new ATOM 434 N CYS A 30 9.012 -7.332 -7.379 1.00 0.00 N ATOM 435 CA CYS A 30 9.283 -8.608 -8.032 1.00 0.00 C ATOM 436 C CYS A 30 8.376 -9.704 -7.482 1.00 0.00 C ATOM 437 O CYS A 30 8.243 -10.772 -8.080 1.00 0.00 O ATOM 438 CB CYS A 30 10.749 -8.999 -7.843 1.00 0.00 C ATOM 439 SG CYS A 30 11.869 -8.281 -9.067 1.00 0.00 S ATOM 0 H CYS A 30 9.717 -7.049 -6.698 1.00 0.00 H new ATOM 0 HA CYS A 30 9.079 -8.494 -9.097 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.070 -8.691 -6.848 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.832 -10.085 -7.883 1.00 0.00 H new ATOM 0 HG CYS A 30 13.086 -8.668 -8.822 1.00 0.00 H new ATOM 445 N HIS A 31 7.756 -9.433 -6.338 1.00 0.00 N ATOM 446 CA HIS A 31 6.862 -10.397 -5.706 1.00 0.00 C ATOM 447 C HIS A 31 5.432 -10.221 -6.208 1.00 0.00 C ATOM 448 O HIS A 31 4.824 -9.165 -6.029 1.00 0.00 O ATOM 449 CB HIS A 31 6.904 -10.242 -4.186 1.00 0.00 C ATOM 450 CG HIS A 31 8.072 -10.927 -3.546 1.00 0.00 C ATOM 451 ND1 HIS A 31 8.549 -12.151 -3.966 1.00 0.00 N ATOM 452 CD2 HIS A 31 8.861 -10.552 -2.512 1.00 0.00 C ATOM 453 CE1 HIS A 31 9.580 -12.500 -3.217 1.00 0.00 C ATOM 454 NE2 HIS A 31 9.790 -11.546 -2.327 1.00 0.00 N ATOM 0 H HIS A 31 7.856 -8.554 -5.830 1.00 0.00 H new ATOM 0 HA HIS A 31 7.201 -11.399 -5.971 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.935 -9.181 -3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.982 -10.642 -3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.776 -9.640 -1.939 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.153 -13.410 -3.315 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.523 -11.548 -1.618 1.00 0.00 H new ATOM 535 N TYR A 37 -4.888 -19.162 -5.389 1.00 0.00 N ATOM 536 CA TYR A 37 -5.961 -20.149 -5.377 1.00 0.00 C ATOM 537 C TYR A 37 -7.041 -19.792 -6.394 1.00 0.00 C ATOM 538 O TYR A 37 -7.931 -18.988 -6.116 1.00 0.00 O ATOM 539 CB TYR A 37 -6.574 -20.252 -3.980 1.00 0.00 C ATOM 540 CG TYR A 37 -5.608 -20.755 -2.930 1.00 0.00 C ATOM 541 CD1 TYR A 37 -4.999 -21.997 -3.058 1.00 0.00 C ATOM 542 CD2 TYR A 37 -5.306 -19.989 -1.811 1.00 0.00 C ATOM 543 CE1 TYR A 37 -4.117 -22.462 -2.101 1.00 0.00 C ATOM 544 CE2 TYR A 37 -4.424 -20.445 -0.851 1.00 0.00 C ATOM 545 CZ TYR A 37 -3.833 -21.682 -1.000 1.00 0.00 C ATOM 546 OH TYR A 37 -2.955 -22.140 -0.045 1.00 0.00 O ATOM 0 HA TYR A 37 -5.535 -21.114 -5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.944 -19.271 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.435 -20.919 -4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.219 -22.610 -3.920 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.769 -19.021 -1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.653 -23.431 -2.215 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.198 -19.836 0.012 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.864 -21.470 0.664 1.00 0.00 H new ATOM 556 N LYS A 38 -6.956 -20.397 -7.574 1.00 0.00 N ATOM 557 CA LYS A 38 -7.926 -20.146 -8.634 1.00 0.00 C ATOM 558 C LYS A 38 -8.547 -21.450 -9.123 1.00 0.00 C ATOM 559 O LYS A 38 -7.838 -22.381 -9.507 1.00 0.00 O ATOM 560 CB LYS A 38 -7.258 -19.417 -9.802 1.00 0.00 C ATOM 561 CG LYS A 38 -6.988 -17.948 -9.528 1.00 0.00 C ATOM 562 CD LYS A 38 -6.232 -17.296 -10.673 1.00 0.00 C ATOM 563 CE LYS A 38 -6.491 -15.798 -10.732 1.00 0.00 C ATOM 564 NZ LYS A 38 -5.600 -15.119 -11.712 1.00 0.00 N ATOM 0 H LYS A 38 -6.225 -21.065 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.718 -19.518 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.316 -19.913 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.893 -19.503 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.932 -17.427 -9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.412 -17.849 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.164 -17.477 -10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.531 -17.755 -11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.532 -15.620 -11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.341 -15.364 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.808 -14.100 -11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.607 -15.267 -11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.761 -15.515 -12.660 1.00 0.00 H new ATOM 578 N CYS A 39 -9.874 -21.511 -9.108 1.00 0.00 N ATOM 579 CA CYS A 39 -10.591 -22.701 -9.551 1.00 0.00 C ATOM 580 C CYS A 39 -10.115 -23.139 -10.933 1.00 0.00 C ATOM 581 O CYS A 39 -9.798 -22.309 -11.785 1.00 0.00 O ATOM 582 CB CYS A 39 -12.097 -22.433 -9.579 1.00 0.00 C ATOM 583 SG CYS A 39 -13.116 -23.934 -9.746 1.00 0.00 S ATOM 0 H CYS A 39 -10.475 -20.750 -8.794 1.00 0.00 H new ATOM 0 HA CYS A 39 -10.385 -23.504 -8.844 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.380 -21.915 -8.663 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -12.320 -21.761 -10.408 1.00 0.00 H new ATOM 0 HG CYS A 39 -14.238 -23.634 -10.330 1.00 0.00 H new ATOM 588 N LYS A 40 -10.069 -24.449 -11.148 1.00 0.00 N ATOM 589 CA LYS A 40 -9.634 -25.000 -12.426 1.00 0.00 C ATOM 590 C LYS A 40 -10.524 -24.507 -13.563 1.00 0.00 C ATOM 591 O LYS A 40 -10.046 -23.896 -14.520 1.00 0.00 O ATOM 592 CB LYS A 40 -9.652 -26.530 -12.378 1.00 0.00 C ATOM 593 CG LYS A 40 -8.779 -27.182 -13.437 1.00 0.00 C ATOM 594 CD LYS A 40 -8.497 -28.638 -13.108 1.00 0.00 C ATOM 595 CE LYS A 40 -7.702 -29.316 -14.213 1.00 0.00 C ATOM 596 NZ LYS A 40 -7.247 -30.677 -13.815 1.00 0.00 N ATOM 0 H LYS A 40 -10.328 -25.150 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.615 -24.660 -12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.320 -26.858 -11.393 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.678 -26.877 -12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.272 -27.116 -14.407 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.838 -26.638 -13.520 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.944 -28.700 -12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.438 -29.167 -12.959 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.316 -29.387 -15.111 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.837 -28.703 -14.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.709 -31.105 -14.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.640 -30.608 -12.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.074 -31.270 -13.598 1.00 0.00 H new ATOM 610 N THR A 41 -11.821 -24.773 -13.451 1.00 0.00 N ATOM 611 CA THR A 41 -12.778 -24.356 -14.468 1.00 0.00 C ATOM 612 C THR A 41 -13.053 -22.859 -14.383 1.00 0.00 C ATOM 613 O THR A 41 -12.771 -22.111 -15.320 1.00 0.00 O ATOM 614 CB THR A 41 -14.109 -25.120 -14.335 1.00 0.00 C ATOM 615 OG1 THR A 41 -13.882 -26.527 -14.469 1.00 0.00 O ATOM 616 CG2 THR A 41 -15.105 -24.659 -15.388 1.00 0.00 C ATOM 0 H THR A 41 -12.233 -25.276 -12.665 1.00 0.00 H new ATOM 0 HA THR A 41 -12.331 -24.586 -15.435 1.00 0.00 H new ATOM 0 HB THR A 41 -14.525 -24.912 -13.349 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.733 -27.005 -14.381 1.00 0.00 H new ATOM 0 HG21 THR A 41 -16.037 -25.213 -15.274 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.298 -23.593 -15.264 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.694 -24.840 -16.381 1.00 0.00 H new ATOM 624 N CYS A 42 -13.605 -22.427 -13.254 1.00 0.00 N ATOM 625 CA CYS A 42 -13.919 -21.019 -13.046 1.00 0.00 C ATOM 626 C CYS A 42 -12.645 -20.179 -13.000 1.00 0.00 C ATOM 627 O CYS A 42 -11.550 -20.704 -12.802 1.00 0.00 O ATOM 628 CB CYS A 42 -14.709 -20.837 -11.749 1.00 0.00 C ATOM 629 SG CYS A 42 -15.902 -22.172 -11.412 1.00 0.00 S ATOM 0 H CYS A 42 -13.844 -23.033 -12.469 1.00 0.00 H new ATOM 0 HA CYS A 42 -14.527 -20.680 -13.885 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -14.009 -20.771 -10.916 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -15.244 -19.888 -11.792 1.00 0.00 H new ATOM 0 HG CYS A 42 -15.977 -22.374 -10.130 1.00 0.00 H new ATOM 634 N ASP A 43 -12.798 -18.872 -13.184 1.00 0.00 N ATOM 635 CA ASP A 43 -11.662 -17.959 -13.162 1.00 0.00 C ATOM 636 C ASP A 43 -11.720 -17.048 -11.940 1.00 0.00 C ATOM 637 O ASP A 43 -11.352 -15.875 -12.009 1.00 0.00 O ATOM 638 CB ASP A 43 -11.632 -17.118 -14.439 1.00 0.00 C ATOM 639 CG ASP A 43 -10.971 -17.843 -15.595 1.00 0.00 C ATOM 640 OD1 ASP A 43 -9.725 -17.924 -15.610 1.00 0.00 O ATOM 641 OD2 ASP A 43 -11.700 -18.330 -16.485 1.00 0.00 O ATOM 0 H ASP A 43 -13.698 -18.421 -13.350 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.750 -18.554 -13.106 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.651 -16.849 -14.718 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.099 -16.187 -14.245 1.00 0.00 H new ATOM 646 N TYR A 44 -12.184 -17.596 -10.822 1.00 0.00 N ATOM 647 CA TYR A 44 -12.294 -16.832 -9.585 1.00 0.00 C ATOM 648 C TYR A 44 -10.956 -16.786 -8.853 1.00 0.00 C ATOM 649 O TYR A 44 -10.271 -17.801 -8.724 1.00 0.00 O ATOM 650 CB TYR A 44 -13.364 -17.441 -8.678 1.00 0.00 C ATOM 651 CG TYR A 44 -13.222 -17.048 -7.225 1.00 0.00 C ATOM 652 CD1 TYR A 44 -12.976 -15.729 -6.863 1.00 0.00 C ATOM 653 CD2 TYR A 44 -13.335 -17.995 -6.214 1.00 0.00 C ATOM 654 CE1 TYR A 44 -12.845 -15.366 -5.536 1.00 0.00 C ATOM 655 CE2 TYR A 44 -13.206 -17.640 -4.885 1.00 0.00 C ATOM 656 CZ TYR A 44 -12.961 -16.324 -4.551 1.00 0.00 C ATOM 657 OH TYR A 44 -12.832 -15.966 -3.229 1.00 0.00 O ATOM 0 H TYR A 44 -12.490 -18.566 -10.747 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.583 -15.813 -9.841 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -14.348 -17.134 -9.034 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.321 -18.527 -8.758 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.886 -14.975 -7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -13.527 -19.026 -6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.653 -14.337 -5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -13.296 -18.389 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.472 -16.722 -2.719 1.00 0.00 H new ATOM 667 N ALA A 45 -10.591 -15.601 -8.374 1.00 0.00 N ATOM 668 CA ALA A 45 -9.338 -15.422 -7.652 1.00 0.00 C ATOM 669 C ALA A 45 -9.570 -15.398 -6.146 1.00 0.00 C ATOM 670 O ALA A 45 -10.223 -14.495 -5.623 1.00 0.00 O ATOM 671 CB ALA A 45 -8.648 -14.143 -8.102 1.00 0.00 C ATOM 0 H ALA A 45 -11.146 -14.751 -8.473 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.692 -16.270 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.713 -14.022 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.438 -14.199 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.297 -13.290 -7.904 1.00 0.00 H new ATOM 677 N ALA A 46 -9.034 -16.397 -5.453 1.00 0.00 N ATOM 678 CA ALA A 46 -9.182 -16.490 -4.005 1.00 0.00 C ATOM 679 C ALA A 46 -7.891 -16.097 -3.295 1.00 0.00 C ATOM 680 O ALA A 46 -6.795 -16.340 -3.799 1.00 0.00 O ATOM 681 CB ALA A 46 -9.599 -17.897 -3.607 1.00 0.00 C ATOM 0 H ALA A 46 -8.493 -17.154 -5.871 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.961 -15.792 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.706 -17.952 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.551 -18.141 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.840 -18.608 -3.933 1.00 0.00 H new ATOM 687 N ALA A 47 -8.029 -15.488 -2.122 1.00 0.00 N ATOM 688 CA ALA A 47 -6.873 -15.063 -1.341 1.00 0.00 C ATOM 689 C ALA A 47 -6.349 -16.201 -0.472 1.00 0.00 C ATOM 690 O ALA A 47 -5.165 -16.535 -0.518 1.00 0.00 O ATOM 691 CB ALA A 47 -7.231 -13.861 -0.481 1.00 0.00 C ATOM 0 H ALA A 47 -8.929 -15.278 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.082 -14.777 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.359 -13.554 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.550 -13.038 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.041 -14.128 0.198 1.00 0.00 H new ATOM 697 N ASP A 48 -7.237 -16.793 0.318 1.00 0.00 N ATOM 698 CA ASP A 48 -6.864 -17.894 1.198 1.00 0.00 C ATOM 699 C ASP A 48 -7.229 -19.237 0.573 1.00 0.00 C ATOM 700 O ASP A 48 -8.021 -19.300 -0.367 1.00 0.00 O ATOM 701 CB ASP A 48 -7.551 -17.746 2.556 1.00 0.00 C ATOM 702 CG ASP A 48 -7.048 -18.752 3.573 1.00 0.00 C ATOM 703 OD1 ASP A 48 -5.964 -18.522 4.149 1.00 0.00 O ATOM 704 OD2 ASP A 48 -7.739 -19.769 3.792 1.00 0.00 O ATOM 0 H ASP A 48 -8.221 -16.529 0.367 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.784 -17.862 1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.386 -16.737 2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.627 -17.868 2.431 1.00 0.00 H new ATOM 709 N SER A 49 -6.646 -20.308 1.101 1.00 0.00 N ATOM 710 CA SER A 49 -6.907 -21.650 0.592 1.00 0.00 C ATOM 711 C SER A 49 -8.379 -22.017 0.757 1.00 0.00 C ATOM 712 O SER A 49 -9.075 -22.289 -0.220 1.00 0.00 O ATOM 713 CB SER A 49 -6.030 -22.672 1.317 1.00 0.00 C ATOM 714 OG SER A 49 -6.102 -23.941 0.690 1.00 0.00 O ATOM 0 H SER A 49 -5.990 -20.273 1.881 1.00 0.00 H new ATOM 0 HA SER A 49 -6.665 -21.663 -0.471 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.996 -22.326 1.328 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.349 -22.757 2.356 1.00 0.00 H new ATOM 0 HG SER A 49 -5.532 -24.576 1.171 1.00 0.00 H new ATOM 720 N SER A 50 -8.844 -22.023 2.002 1.00 0.00 N ATOM 721 CA SER A 50 -10.232 -22.360 2.297 1.00 0.00 C ATOM 722 C SER A 50 -11.181 -21.644 1.341 1.00 0.00 C ATOM 723 O SER A 50 -12.149 -22.229 0.855 1.00 0.00 O ATOM 724 CB SER A 50 -10.572 -21.992 3.743 1.00 0.00 C ATOM 725 OG SER A 50 -11.972 -22.025 3.962 1.00 0.00 O ATOM 0 H SER A 50 -8.281 -21.799 2.822 1.00 0.00 H new ATOM 0 HA SER A 50 -10.355 -23.435 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.078 -22.685 4.424 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.189 -20.997 3.968 1.00 0.00 H new ATOM 0 HG SER A 50 -12.163 -21.788 4.893 1.00 0.00 H new ATOM 731 N SER A 51 -10.895 -20.373 1.076 1.00 0.00 N ATOM 732 CA SER A 51 -11.724 -19.574 0.182 1.00 0.00 C ATOM 733 C SER A 51 -12.082 -20.361 -1.075 1.00 0.00 C ATOM 734 O SER A 51 -13.213 -20.301 -1.558 1.00 0.00 O ATOM 735 CB SER A 51 -11.000 -18.281 -0.201 1.00 0.00 C ATOM 736 OG SER A 51 -11.846 -17.425 -0.948 1.00 0.00 O ATOM 0 H SER A 51 -10.096 -19.875 1.468 1.00 0.00 H new ATOM 0 HA SER A 51 -12.645 -19.324 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.663 -17.769 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.110 -18.518 -0.784 1.00 0.00 H new ATOM 0 HG SER A 51 -11.401 -16.562 -1.083 1.00 0.00 H new ATOM 742 N LEU A 52 -11.110 -21.098 -1.601 1.00 0.00 N ATOM 743 CA LEU A 52 -11.320 -21.898 -2.802 1.00 0.00 C ATOM 744 C LEU A 52 -11.954 -23.242 -2.457 1.00 0.00 C ATOM 745 O LEU A 52 -12.898 -23.680 -3.114 1.00 0.00 O ATOM 746 CB LEU A 52 -9.993 -22.119 -3.530 1.00 0.00 C ATOM 747 CG LEU A 52 -10.083 -22.797 -4.898 1.00 0.00 C ATOM 748 CD1 LEU A 52 -10.431 -21.782 -5.975 1.00 0.00 C ATOM 749 CD2 LEU A 52 -8.776 -23.503 -5.230 1.00 0.00 C ATOM 0 H LEU A 52 -10.168 -21.158 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.000 -21.354 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.506 -21.152 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.346 -22.720 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.877 -23.543 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.491 -22.283 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.392 -21.322 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.660 -21.012 -6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.858 -23.980 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.964 -22.776 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.569 -24.260 -4.473 1.00 0.00 H new ATOM 761 N ASN A 53 -11.431 -23.889 -1.422 1.00 0.00 N ATOM 762 CA ASN A 53 -11.947 -25.182 -0.988 1.00 0.00 C ATOM 763 C ASN A 53 -13.452 -25.115 -0.750 1.00 0.00 C ATOM 764 O ASN A 53 -14.166 -26.102 -0.930 1.00 0.00 O ATOM 765 CB ASN A 53 -11.237 -25.636 0.289 1.00 0.00 C ATOM 766 CG ASN A 53 -10.000 -26.464 0.000 1.00 0.00 C ATOM 767 OD1 ASN A 53 -10.000 -27.308 -0.897 1.00 0.00 O ATOM 768 ND2 ASN A 53 -8.938 -26.226 0.760 1.00 0.00 N ATOM 0 H ASN A 53 -10.650 -23.539 -0.867 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.754 -25.906 -1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.956 -24.761 0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.928 -26.220 0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.077 -26.752 0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.983 -25.517 1.492 1.00 0.00 H new ATOM 775 N LYS A 54 -13.930 -23.943 -0.344 1.00 0.00 N ATOM 776 CA LYS A 54 -15.350 -23.744 -0.083 1.00 0.00 C ATOM 777 C LYS A 54 -16.097 -23.402 -1.368 1.00 0.00 C ATOM 778 O LYS A 54 -17.241 -23.816 -1.562 1.00 0.00 O ATOM 779 CB LYS A 54 -15.549 -22.631 0.948 1.00 0.00 C ATOM 780 CG LYS A 54 -17.007 -22.285 1.196 1.00 0.00 C ATOM 781 CD LYS A 54 -17.165 -20.857 1.691 1.00 0.00 C ATOM 782 CE LYS A 54 -17.020 -20.773 3.203 1.00 0.00 C ATOM 783 NZ LYS A 54 -17.103 -19.368 3.691 1.00 0.00 N ATOM 0 H LYS A 54 -13.353 -23.116 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.755 -24.675 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.091 -22.933 1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.024 -21.737 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.575 -22.417 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.426 -22.974 1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.417 -20.221 1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.142 -20.474 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.801 -21.369 3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.065 -21.205 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.000 -19.353 4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.343 -18.805 3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.025 -18.963 3.429 1.00 0.00 H new ATOM 797 N HIS A 55 -15.444 -22.644 -2.243 1.00 0.00 N ATOM 798 CA HIS A 55 -16.046 -22.248 -3.511 1.00 0.00 C ATOM 799 C HIS A 55 -16.538 -23.468 -4.283 1.00 0.00 C ATOM 800 O HIS A 55 -17.550 -23.406 -4.983 1.00 0.00 O ATOM 801 CB HIS A 55 -15.039 -21.467 -4.356 1.00 0.00 C ATOM 802 CG HIS A 55 -15.321 -21.521 -5.826 1.00 0.00 C ATOM 803 ND1 HIS A 55 -16.201 -20.665 -6.455 1.00 0.00 N ATOM 804 CD2 HIS A 55 -14.833 -22.333 -6.792 1.00 0.00 C ATOM 805 CE1 HIS A 55 -16.243 -20.951 -7.744 1.00 0.00 C ATOM 806 NE2 HIS A 55 -15.422 -21.959 -7.975 1.00 0.00 N ATOM 0 H HIS A 55 -14.498 -22.292 -2.097 1.00 0.00 H new ATOM 0 HA HIS A 55 -16.901 -21.608 -3.295 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.036 -20.426 -4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -14.040 -21.861 -4.171 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -16.735 -19.927 -5.997 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.114 -23.128 -6.658 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -16.847 -20.446 -8.484 1.00 0.00 H new ATOM 814 N LEU A 56 -15.817 -24.576 -4.152 1.00 0.00 N ATOM 815 CA LEU A 56 -16.180 -25.811 -4.838 1.00 0.00 C ATOM 816 C LEU A 56 -17.461 -26.401 -4.256 1.00 0.00 C ATOM 817 O LEU A 56 -18.111 -27.237 -4.883 1.00 0.00 O ATOM 818 CB LEU A 56 -15.043 -26.828 -4.735 1.00 0.00 C ATOM 819 CG LEU A 56 -13.667 -26.346 -5.196 1.00 0.00 C ATOM 820 CD1 LEU A 56 -12.573 -27.245 -4.641 1.00 0.00 C ATOM 821 CD2 LEU A 56 -13.601 -26.297 -6.715 1.00 0.00 C ATOM 0 H LEU A 56 -14.977 -24.644 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.355 -25.577 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.964 -27.150 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.314 -27.706 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.509 -25.338 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.601 -26.887 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.606 -27.229 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.727 -28.265 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.615 -25.952 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.781 -27.293 -7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.360 -25.611 -7.090 1.00 0.00 H new ATOM 833 N ARG A 57 -17.817 -25.958 -3.055 1.00 0.00 N ATOM 834 CA ARG A 57 -19.021 -26.442 -2.389 1.00 0.00 C ATOM 835 C ARG A 57 -20.267 -26.093 -3.197 1.00 0.00 C ATOM 836 O ARG A 57 -21.262 -26.818 -3.166 1.00 0.00 O ATOM 837 CB ARG A 57 -19.127 -25.844 -0.984 1.00 0.00 C ATOM 838 CG ARG A 57 -17.879 -26.048 -0.140 1.00 0.00 C ATOM 839 CD ARG A 57 -17.792 -27.470 0.392 1.00 0.00 C ATOM 840 NE ARG A 57 -16.415 -27.864 0.676 1.00 0.00 N ATOM 841 CZ ARG A 57 -16.091 -28.914 1.422 1.00 0.00 C ATOM 842 NH1 ARG A 57 -17.039 -29.671 1.955 1.00 0.00 N ATOM 843 NH2 ARG A 57 -14.815 -29.209 1.636 1.00 0.00 N ATOM 0 H ARG A 57 -17.290 -25.265 -2.523 1.00 0.00 H new ATOM 0 HA ARG A 57 -18.952 -27.527 -2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -19.329 -24.776 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -19.979 -26.290 -0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -16.994 -25.827 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -17.884 -25.346 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.388 -27.554 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.223 -28.157 -0.337 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.661 -27.302 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.021 -29.448 1.793 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.787 -30.477 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.082 -28.629 1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.567 -30.016 2.209 1.00 0.00 H new ATOM 857 N ILE A 58 -20.205 -24.979 -3.918 1.00 0.00 N ATOM 858 CA ILE A 58 -21.329 -24.535 -4.735 1.00 0.00 C ATOM 859 C ILE A 58 -21.516 -25.437 -5.950 1.00 0.00 C ATOM 860 O ILE A 58 -22.638 -25.654 -6.409 1.00 0.00 O ATOM 861 CB ILE A 58 -21.138 -23.083 -5.212 1.00 0.00 C ATOM 862 CG1 ILE A 58 -20.394 -23.055 -6.548 1.00 0.00 C ATOM 863 CG2 ILE A 58 -20.387 -22.275 -4.164 1.00 0.00 C ATOM 864 CD1 ILE A 58 -20.014 -21.663 -7.000 1.00 0.00 C ATOM 0 H ILE A 58 -19.390 -24.367 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 58 -22.218 -24.589 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 58 -22.120 -22.632 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -19.491 -23.660 -6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -21.018 -23.518 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.260 -21.251 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -20.954 -22.271 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -19.409 -22.723 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.490 -21.721 -7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -20.914 -21.060 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.363 -21.204 -6.256 1.00 0.00 H new ATOM 876 N HIS A 59 -20.409 -25.962 -6.466 1.00 0.00 N ATOM 877 CA HIS A 59 -20.451 -26.844 -7.627 1.00 0.00 C ATOM 878 C HIS A 59 -21.322 -28.066 -7.350 1.00 0.00 C ATOM 879 O HIS A 59 -22.032 -28.547 -8.233 1.00 0.00 O ATOM 880 CB HIS A 59 -19.038 -27.286 -8.009 1.00 0.00 C ATOM 881 CG HIS A 59 -18.239 -26.217 -8.688 1.00 0.00 C ATOM 882 ND1 HIS A 59 -18.766 -25.378 -9.647 1.00 0.00 N ATOM 883 CD2 HIS A 59 -16.944 -25.851 -8.540 1.00 0.00 C ATOM 884 CE1 HIS A 59 -17.829 -24.543 -10.061 1.00 0.00 C ATOM 885 NE2 HIS A 59 -16.714 -24.809 -9.405 1.00 0.00 N ATOM 0 H HIS A 59 -19.473 -25.792 -6.099 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.887 -26.290 -8.458 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -18.511 -27.606 -7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.103 -28.153 -8.667 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -19.728 -25.399 -9.984 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -16.226 -26.295 -7.867 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.954 -23.774 -10.809 1.00 0.00 H new ATOM 955 N PRO A 64 -29.733 -21.474 -10.272 1.00 0.00 N ATOM 956 CA PRO A 64 -30.475 -20.886 -11.391 1.00 0.00 C ATOM 957 C PRO A 64 -30.272 -19.378 -11.492 1.00 0.00 C ATOM 958 O PRO A 64 -30.291 -18.811 -12.585 1.00 0.00 O ATOM 959 CB PRO A 64 -31.934 -21.208 -11.056 1.00 0.00 C ATOM 960 CG PRO A 64 -31.958 -21.358 -9.574 1.00 0.00 C ATOM 961 CD PRO A 64 -30.623 -21.936 -9.195 1.00 0.00 C ATOM 0 HA PRO A 64 -30.146 -21.282 -12.352 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -32.601 -20.411 -11.384 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -32.262 -22.122 -11.552 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -32.119 -20.396 -9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -32.770 -22.014 -9.261 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -30.293 -21.579 -8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -30.657 -23.024 -9.141 1.00 0.00 H new ATOM 969 N PHE A 65 -30.077 -18.734 -10.346 1.00 0.00 N ATOM 970 CA PHE A 65 -29.871 -17.291 -10.306 1.00 0.00 C ATOM 971 C PHE A 65 -28.393 -16.948 -10.475 1.00 0.00 C ATOM 972 O PHE A 65 -27.545 -17.411 -9.713 1.00 0.00 O ATOM 973 CB PHE A 65 -30.392 -16.716 -8.988 1.00 0.00 C ATOM 974 CG PHE A 65 -31.891 -16.665 -8.907 1.00 0.00 C ATOM 975 CD1 PHE A 65 -32.616 -15.843 -9.756 1.00 0.00 C ATOM 976 CD2 PHE A 65 -32.575 -17.438 -7.983 1.00 0.00 C ATOM 977 CE1 PHE A 65 -33.995 -15.794 -9.683 1.00 0.00 C ATOM 978 CE2 PHE A 65 -33.954 -17.393 -7.905 1.00 0.00 C ATOM 979 CZ PHE A 65 -34.665 -16.570 -8.757 1.00 0.00 C ATOM 0 H PHE A 65 -30.057 -19.188 -9.433 1.00 0.00 H new ATOM 0 HA PHE A 65 -30.426 -16.847 -11.132 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -30.012 -17.318 -8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -29.995 -15.709 -8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -32.097 -15.235 -10.482 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -32.024 -18.084 -7.315 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -34.549 -15.149 -10.350 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -34.475 -18.000 -7.179 1.00 0.00 H new ATOM 0 HZ PHE A 65 -35.743 -16.533 -8.699 1.00 0.00 H new ATOM 989 N LYS A 66 -28.093 -16.132 -11.480 1.00 0.00 N ATOM 990 CA LYS A 66 -26.719 -15.725 -11.751 1.00 0.00 C ATOM 991 C LYS A 66 -26.653 -14.248 -12.127 1.00 0.00 C ATOM 992 O LYS A 66 -27.444 -13.768 -12.941 1.00 0.00 O ATOM 993 CB LYS A 66 -26.126 -16.576 -12.876 1.00 0.00 C ATOM 994 CG LYS A 66 -26.131 -18.065 -12.580 1.00 0.00 C ATOM 995 CD LYS A 66 -25.607 -18.870 -13.758 1.00 0.00 C ATOM 996 CE LYS A 66 -26.120 -20.301 -13.727 1.00 0.00 C ATOM 997 NZ LYS A 66 -25.404 -21.168 -14.704 1.00 0.00 N ATOM 0 H LYS A 66 -28.783 -15.739 -12.120 1.00 0.00 H new ATOM 0 HA LYS A 66 -26.136 -15.877 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -26.688 -16.394 -13.792 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -25.101 -16.255 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -25.518 -18.264 -11.701 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -27.145 -18.386 -12.341 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -25.911 -18.393 -14.690 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -24.517 -18.873 -13.742 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -25.999 -20.708 -12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -27.187 -20.309 -13.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -25.782 -22.135 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -25.540 -20.794 -15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -24.389 -21.181 -14.478 1.00 0.00 H new ATOM 1011 N CYS A 67 -25.706 -13.532 -11.532 1.00 0.00 N ATOM 1012 CA CYS A 67 -25.536 -12.110 -11.804 1.00 0.00 C ATOM 1013 C CYS A 67 -25.056 -11.884 -13.235 1.00 0.00 C ATOM 1014 O CYS A 67 -24.546 -12.800 -13.881 1.00 0.00 O ATOM 1015 CB CYS A 67 -24.540 -11.496 -10.818 1.00 0.00 C ATOM 1016 SG CYS A 67 -24.371 -9.688 -10.962 1.00 0.00 S ATOM 0 H CYS A 67 -25.043 -13.914 -10.857 1.00 0.00 H new ATOM 0 HA CYS A 67 -26.504 -11.624 -11.682 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -24.852 -11.741 -9.803 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -23.563 -11.955 -10.971 1.00 0.00 H new ATOM 0 HG CYS A 67 -24.072 -9.186 -9.801 1.00 0.00 H new ATOM 1021 N GLN A 68 -25.224 -10.659 -13.723 1.00 0.00 N ATOM 1022 CA GLN A 68 -24.809 -10.314 -15.078 1.00 0.00 C ATOM 1023 C GLN A 68 -23.398 -9.735 -15.084 1.00 0.00 C ATOM 1024 O GLN A 68 -22.517 -10.230 -15.786 1.00 0.00 O ATOM 1025 CB GLN A 68 -25.787 -9.311 -15.693 1.00 0.00 C ATOM 1026 CG GLN A 68 -27.155 -9.902 -15.994 1.00 0.00 C ATOM 1027 CD GLN A 68 -27.157 -10.764 -17.242 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -26.105 -11.051 -17.813 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -28.342 -11.181 -17.671 1.00 0.00 N ATOM 0 H GLN A 68 -25.644 -9.890 -13.201 1.00 0.00 H new ATOM 0 HA GLN A 68 -24.811 -11.226 -15.675 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -25.906 -8.468 -15.012 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -25.359 -8.918 -16.615 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -27.483 -10.500 -15.144 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -27.877 -9.094 -16.114 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -29.188 -10.919 -17.166 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -28.406 -11.764 -18.506 1.00 0.00 H new ATOM 1038 N ILE A 69 -23.192 -8.684 -14.297 1.00 0.00 N ATOM 1039 CA ILE A 69 -21.888 -8.039 -14.212 1.00 0.00 C ATOM 1040 C ILE A 69 -20.811 -9.030 -13.784 1.00 0.00 C ATOM 1041 O ILE A 69 -19.813 -9.220 -14.481 1.00 0.00 O ATOM 1042 CB ILE A 69 -21.906 -6.860 -13.221 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -22.871 -5.775 -13.704 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -20.506 -6.292 -13.047 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -24.298 -5.990 -13.251 1.00 0.00 C ATOM 0 H ILE A 69 -23.911 -8.262 -13.710 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.658 -7.663 -15.209 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.252 -7.223 -12.253 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -22.526 -4.806 -13.343 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -22.846 -5.737 -14.793 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -20.536 -5.460 -12.344 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -19.844 -7.068 -12.663 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -20.134 -5.941 -14.009 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -24.925 -5.183 -13.630 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -24.662 -6.943 -13.634 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -24.337 -5.999 -12.162 1.00 0.00 H new ATOM 1057 N CYS A 70 -21.019 -9.663 -12.634 1.00 0.00 N ATOM 1058 CA CYS A 70 -20.068 -10.636 -12.112 1.00 0.00 C ATOM 1059 C CYS A 70 -20.586 -12.059 -12.302 1.00 0.00 C ATOM 1060 O CYS A 70 -21.792 -12.305 -12.353 1.00 0.00 O ATOM 1061 CB CYS A 70 -19.798 -10.374 -10.629 1.00 0.00 C ATOM 1062 SG CYS A 70 -21.231 -10.683 -9.547 1.00 0.00 S ATOM 0 H CYS A 70 -21.839 -9.519 -12.045 1.00 0.00 H new ATOM 0 HA CYS A 70 -19.136 -10.529 -12.668 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -18.969 -11.003 -10.305 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -19.480 -9.339 -10.506 1.00 0.00 H new ATOM 0 HG CYS A 70 -22.312 -10.252 -10.125 1.00 0.00 H new ATOM 1067 N PRO A 71 -19.655 -13.018 -12.410 1.00 0.00 N ATOM 1068 CA PRO A 71 -19.994 -14.433 -12.595 1.00 0.00 C ATOM 1069 C PRO A 71 -20.623 -15.046 -11.349 1.00 0.00 C ATOM 1070 O PRO A 71 -20.915 -16.242 -11.314 1.00 0.00 O ATOM 1071 CB PRO A 71 -18.641 -15.086 -12.889 1.00 0.00 C ATOM 1072 CG PRO A 71 -17.640 -14.188 -12.248 1.00 0.00 C ATOM 1073 CD PRO A 71 -18.201 -12.797 -12.359 1.00 0.00 C ATOM 0 HA PRO A 71 -20.732 -14.576 -13.384 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -18.590 -16.094 -12.477 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -18.467 -15.171 -13.962 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.481 -14.463 -11.205 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.674 -14.260 -12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.918 -12.181 -11.506 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -17.840 -12.289 -13.253 1.00 0.00 H new ATOM 1081 N TYR A 72 -20.828 -14.221 -10.329 1.00 0.00 N ATOM 1082 CA TYR A 72 -21.421 -14.684 -9.079 1.00 0.00 C ATOM 1083 C TYR A 72 -22.625 -15.581 -9.347 1.00 0.00 C ATOM 1084 O TYR A 72 -23.115 -15.662 -10.472 1.00 0.00 O ATOM 1085 CB TYR A 72 -21.840 -13.491 -8.217 1.00 0.00 C ATOM 1086 CG TYR A 72 -22.594 -13.884 -6.967 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -21.932 -14.437 -5.877 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -23.968 -13.703 -6.875 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -22.616 -14.797 -4.733 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -24.661 -14.059 -5.734 1.00 0.00 C ATOM 1091 CZ TYR A 72 -23.981 -14.606 -4.666 1.00 0.00 C ATOM 1092 OH TYR A 72 -24.667 -14.964 -3.528 1.00 0.00 O ATOM 0 H TYR A 72 -20.593 -13.229 -10.342 1.00 0.00 H new ATOM 0 HA TYR A 72 -20.671 -15.265 -8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -20.951 -12.928 -7.933 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -22.463 -12.824 -8.813 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -20.864 -14.588 -5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -24.504 -13.277 -7.710 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -22.086 -15.226 -3.895 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -25.729 -13.910 -5.679 1.00 0.00 H new ATOM 0 HH TYR A 72 -25.557 -14.555 -3.540 1.00 0.00 H new ATOM 1102 N ALA A 73 -23.098 -16.253 -8.302 1.00 0.00 N ATOM 1103 CA ALA A 73 -24.246 -17.143 -8.422 1.00 0.00 C ATOM 1104 C ALA A 73 -24.898 -17.384 -7.064 1.00 0.00 C ATOM 1105 O ALA A 73 -24.230 -17.354 -6.031 1.00 0.00 O ATOM 1106 CB ALA A 73 -23.827 -18.463 -9.050 1.00 0.00 C ATOM 0 H ALA A 73 -22.704 -16.198 -7.363 1.00 0.00 H new ATOM 0 HA ALA A 73 -24.981 -16.663 -9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -24.694 -19.118 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -23.414 -18.279 -10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -23.071 -18.940 -8.425 1.00 0.00 H new ATOM 1112 N SER A 74 -26.205 -17.622 -7.075 1.00 0.00 N ATOM 1113 CA SER A 74 -26.948 -17.864 -5.843 1.00 0.00 C ATOM 1114 C SER A 74 -28.078 -18.862 -6.077 1.00 0.00 C ATOM 1115 O SER A 74 -28.594 -18.982 -7.188 1.00 0.00 O ATOM 1116 CB SER A 74 -27.516 -16.552 -5.300 1.00 0.00 C ATOM 1117 OG SER A 74 -28.072 -15.767 -6.340 1.00 0.00 O ATOM 0 H SER A 74 -26.772 -17.653 -7.923 1.00 0.00 H new ATOM 0 HA SER A 74 -26.260 -18.286 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 74 -28.280 -16.765 -4.553 1.00 0.00 H new ATOM 0 HB3 SER A 74 -26.727 -15.991 -4.799 1.00 0.00 H new ATOM 0 HG SER A 74 -29.049 -15.766 -6.262 1.00 0.00 H new ATOM 1123 N ARG A 75 -28.455 -19.577 -5.022 1.00 0.00 N ATOM 1124 CA ARG A 75 -29.522 -20.566 -5.112 1.00 0.00 C ATOM 1125 C ARG A 75 -30.891 -19.891 -5.121 1.00 0.00 C ATOM 1126 O ARG A 75 -31.752 -20.222 -5.935 1.00 0.00 O ATOM 1127 CB ARG A 75 -29.435 -21.549 -3.943 1.00 0.00 C ATOM 1128 CG ARG A 75 -28.293 -22.544 -4.068 1.00 0.00 C ATOM 1129 CD ARG A 75 -27.773 -22.970 -2.704 1.00 0.00 C ATOM 1130 NE ARG A 75 -28.749 -23.773 -1.973 1.00 0.00 N ATOM 1131 CZ ARG A 75 -28.624 -24.092 -0.689 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -27.571 -23.677 0.001 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -29.555 -24.826 -0.093 1.00 0.00 N ATOM 0 H ARG A 75 -28.037 -19.490 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 75 -29.399 -21.112 -6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -29.317 -20.988 -3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -30.375 -22.095 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -28.632 -23.421 -4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -27.482 -22.099 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -26.854 -23.542 -2.829 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -27.521 -22.085 -2.120 1.00 0.00 H new ATOM 0 HE ARG A 75 -29.571 -24.107 -2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.854 -23.111 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.478 -23.923 0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -30.367 -25.146 -0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -29.458 -25.070 0.893 1.00 0.00 H new ATOM 1147 N ASN A 76 -31.083 -18.942 -4.210 1.00 0.00 N ATOM 1148 CA ASN A 76 -32.346 -18.220 -4.113 1.00 0.00 C ATOM 1149 C ASN A 76 -32.244 -16.852 -4.779 1.00 0.00 C ATOM 1150 O ASN A 76 -31.161 -16.421 -5.174 1.00 0.00 O ATOM 1151 CB ASN A 76 -32.752 -18.057 -2.647 1.00 0.00 C ATOM 1152 CG ASN A 76 -33.200 -19.365 -2.022 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -32.805 -20.444 -2.464 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -34.027 -19.273 -0.987 1.00 0.00 N ATOM 0 H ASN A 76 -30.380 -18.655 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 76 -33.108 -18.801 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -31.910 -17.657 -2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -33.559 -17.328 -2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -34.361 -20.118 -0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -34.328 -18.357 -0.655 1.00 0.00 H new ATOM 1161 N SER A 77 -33.380 -16.173 -4.901 1.00 0.00 N ATOM 1162 CA SER A 77 -33.420 -14.854 -5.522 1.00 0.00 C ATOM 1163 C SER A 77 -32.984 -13.775 -4.535 1.00 0.00 C ATOM 1164 O SER A 77 -32.132 -12.943 -4.845 1.00 0.00 O ATOM 1165 CB SER A 77 -34.828 -14.551 -6.037 1.00 0.00 C ATOM 1166 OG SER A 77 -34.805 -13.522 -7.011 1.00 0.00 O ATOM 0 H SER A 77 -34.285 -16.514 -4.578 1.00 0.00 H new ATOM 0 HA SER A 77 -32.726 -14.855 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 77 -35.263 -15.453 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 77 -35.467 -14.254 -5.205 1.00 0.00 H new ATOM 0 HG SER A 77 -34.591 -13.905 -7.887 1.00 0.00 H new ATOM 1172 N SER A 78 -33.576 -13.797 -3.345 1.00 0.00 N ATOM 1173 CA SER A 78 -33.253 -12.819 -2.313 1.00 0.00 C ATOM 1174 C SER A 78 -31.760 -12.505 -2.310 1.00 0.00 C ATOM 1175 O SER A 78 -31.358 -11.349 -2.445 1.00 0.00 O ATOM 1176 CB SER A 78 -33.678 -13.337 -0.938 1.00 0.00 C ATOM 1177 OG SER A 78 -35.090 -13.379 -0.824 1.00 0.00 O ATOM 0 H SER A 78 -34.282 -14.481 -3.072 1.00 0.00 H new ATOM 0 HA SER A 78 -33.800 -11.902 -2.533 1.00 0.00 H new ATOM 0 HB2 SER A 78 -33.267 -14.334 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 78 -33.266 -12.694 -0.160 1.00 0.00 H new ATOM 0 HG SER A 78 -35.337 -13.715 0.063 1.00 0.00 H new ATOM 1183 N GLN A 79 -30.943 -13.542 -2.157 1.00 0.00 N ATOM 1184 CA GLN A 79 -29.495 -13.377 -2.136 1.00 0.00 C ATOM 1185 C GLN A 79 -29.033 -12.472 -3.273 1.00 0.00 C ATOM 1186 O GLN A 79 -28.236 -11.556 -3.067 1.00 0.00 O ATOM 1187 CB GLN A 79 -28.804 -14.738 -2.239 1.00 0.00 C ATOM 1188 CG GLN A 79 -28.979 -15.605 -1.003 1.00 0.00 C ATOM 1189 CD GLN A 79 -27.818 -16.555 -0.786 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -26.769 -16.164 -0.274 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -27.999 -17.811 -1.177 1.00 0.00 N ATOM 0 H GLN A 79 -31.259 -14.505 -2.046 1.00 0.00 H new ATOM 0 HA GLN A 79 -29.222 -12.909 -1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -29.197 -15.271 -3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -27.740 -14.583 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -29.088 -14.965 -0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -29.901 -16.179 -1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -28.885 -18.092 -1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -27.252 -18.495 -1.057 1.00 0.00 H new ATOM 1200 N LEU A 80 -29.540 -12.734 -4.473 1.00 0.00 N ATOM 1201 CA LEU A 80 -29.179 -11.942 -5.645 1.00 0.00 C ATOM 1202 C LEU A 80 -29.718 -10.520 -5.528 1.00 0.00 C ATOM 1203 O LEU A 80 -29.013 -9.551 -5.813 1.00 0.00 O ATOM 1204 CB LEU A 80 -29.719 -12.601 -6.915 1.00 0.00 C ATOM 1205 CG LEU A 80 -29.197 -12.037 -8.237 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -27.733 -12.398 -8.431 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -30.033 -12.548 -9.402 1.00 0.00 C ATOM 0 H LEU A 80 -30.201 -13.488 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 80 -28.091 -11.895 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -29.482 -13.664 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -30.806 -12.516 -6.911 1.00 0.00 H new ATOM 0 HG LEU A 80 -29.281 -10.951 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.379 -11.988 -9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.144 -11.983 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -27.624 -13.482 -8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -29.647 -12.136 -10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -29.982 -13.636 -9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -31.069 -12.238 -9.270 1.00 0.00 H new ATOM 1219 N THR A 81 -30.973 -10.401 -5.104 1.00 0.00 N ATOM 1220 CA THR A 81 -31.606 -9.098 -4.948 1.00 0.00 C ATOM 1221 C THR A 81 -30.758 -8.174 -4.081 1.00 0.00 C ATOM 1222 O THR A 81 -30.662 -6.975 -4.342 1.00 0.00 O ATOM 1223 CB THR A 81 -33.008 -9.226 -4.323 1.00 0.00 C ATOM 1224 OG1 THR A 81 -33.789 -10.171 -5.062 1.00 0.00 O ATOM 1225 CG2 THR A 81 -33.717 -7.880 -4.303 1.00 0.00 C ATOM 0 H THR A 81 -31.570 -11.192 -4.863 1.00 0.00 H new ATOM 0 HA THR A 81 -31.699 -8.671 -5.946 1.00 0.00 H new ATOM 0 HB THR A 81 -32.893 -9.574 -3.296 1.00 0.00 H new ATOM 0 HG1 THR A 81 -34.678 -10.248 -4.657 1.00 0.00 H new ATOM 0 HG21 THR A 81 -34.705 -7.996 -3.857 1.00 0.00 H new ATOM 0 HG22 THR A 81 -33.134 -7.171 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 81 -33.820 -7.508 -5.322 1.00 0.00 H new ATOM 1233 N VAL A 82 -30.143 -8.741 -3.047 1.00 0.00 N ATOM 1234 CA VAL A 82 -29.301 -7.968 -2.142 1.00 0.00 C ATOM 1235 C VAL A 82 -27.921 -7.729 -2.745 1.00 0.00 C ATOM 1236 O VAL A 82 -27.403 -6.612 -2.713 1.00 0.00 O ATOM 1237 CB VAL A 82 -29.140 -8.676 -0.784 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -28.121 -7.948 0.081 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -30.481 -8.775 -0.073 1.00 0.00 C ATOM 0 H VAL A 82 -30.212 -9.732 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.798 -7.010 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 82 -28.773 -9.687 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -28.021 -8.463 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -27.157 -7.934 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -28.455 -6.925 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -30.349 -9.278 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -30.879 -7.774 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -31.178 -9.344 -0.688 1.00 0.00 H new ATOM 1249 N HIS A 83 -27.330 -8.785 -3.294 1.00 0.00 N ATOM 1250 CA HIS A 83 -26.009 -8.691 -3.906 1.00 0.00 C ATOM 1251 C HIS A 83 -25.989 -7.618 -4.991 1.00 0.00 C ATOM 1252 O HIS A 83 -25.100 -6.766 -5.020 1.00 0.00 O ATOM 1253 CB HIS A 83 -25.600 -10.040 -4.498 1.00 0.00 C ATOM 1254 CG HIS A 83 -24.677 -9.923 -5.672 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -23.328 -10.198 -5.599 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -24.917 -9.561 -6.954 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -22.777 -10.008 -6.784 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -23.720 -9.621 -7.625 1.00 0.00 N ATOM 0 H HIS A 83 -27.745 -9.716 -3.328 1.00 0.00 H new ATOM 0 HA HIS A 83 -25.295 -8.413 -3.131 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -25.116 -10.636 -3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -26.496 -10.581 -4.803 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -22.833 -10.501 -4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -25.872 -9.278 -7.372 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -21.733 -10.146 -7.025 1.00 0.00 H new ATOM 1266 N LEU A 84 -26.973 -7.667 -5.882 1.00 0.00 N ATOM 1267 CA LEU A 84 -27.068 -6.700 -6.970 1.00 0.00 C ATOM 1268 C LEU A 84 -26.788 -5.287 -6.469 1.00 0.00 C ATOM 1269 O LEU A 84 -25.931 -4.585 -7.007 1.00 0.00 O ATOM 1270 CB LEU A 84 -28.455 -6.760 -7.613 1.00 0.00 C ATOM 1271 CG LEU A 84 -28.658 -7.844 -8.672 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -30.138 -8.033 -8.966 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -27.900 -7.494 -9.945 1.00 0.00 C ATOM 0 H LEU A 84 -27.716 -8.366 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 84 -26.317 -6.956 -7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -29.193 -6.908 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -28.665 -5.792 -8.068 1.00 0.00 H new ATOM 0 HG LEU A 84 -28.263 -8.783 -8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -30.263 -8.808 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -30.655 -8.329 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -30.558 -7.097 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -28.056 -8.276 -10.688 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -28.265 -6.544 -10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -26.836 -7.410 -9.724 1.00 0.00 H new ATOM 1285 N ARG A 85 -27.515 -4.876 -5.435 1.00 0.00 N ATOM 1286 CA ARG A 85 -27.344 -3.547 -4.860 1.00 0.00 C ATOM 1287 C ARG A 85 -25.879 -3.121 -4.902 1.00 0.00 C ATOM 1288 O ARG A 85 -25.564 -1.978 -5.233 1.00 0.00 O ATOM 1289 CB ARG A 85 -27.852 -3.523 -3.417 1.00 0.00 C ATOM 1290 CG ARG A 85 -29.367 -3.562 -3.304 1.00 0.00 C ATOM 1291 CD ARG A 85 -29.813 -3.768 -1.865 1.00 0.00 C ATOM 1292 NE ARG A 85 -29.950 -2.503 -1.149 1.00 0.00 N ATOM 1293 CZ ARG A 85 -29.970 -2.407 0.176 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -29.862 -3.496 0.925 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -30.098 -1.220 0.755 1.00 0.00 N ATOM 0 H ARG A 85 -28.228 -5.444 -4.978 1.00 0.00 H new ATOM 0 HA ARG A 85 -27.927 -2.843 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -27.434 -4.374 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -27.483 -2.623 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -29.786 -2.631 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -29.759 -4.367 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -30.766 -4.297 -1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -29.091 -4.401 -1.349 1.00 0.00 H new ATOM 0 HE ARG A 85 -30.035 -1.646 -1.696 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -29.763 -4.410 0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -29.878 -3.419 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -30.181 -0.380 0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -30.113 -1.148 1.772 1.00 0.00 H new ATOM 1309 N SER A 86 -24.988 -4.048 -4.565 1.00 0.00 N ATOM 1310 CA SER A 86 -23.558 -3.767 -4.560 1.00 0.00 C ATOM 1311 C SER A 86 -23.136 -3.073 -5.851 1.00 0.00 C ATOM 1312 O SER A 86 -22.478 -2.032 -5.824 1.00 0.00 O ATOM 1313 CB SER A 86 -22.763 -5.062 -4.381 1.00 0.00 C ATOM 1314 OG SER A 86 -23.070 -5.683 -3.145 1.00 0.00 O ATOM 0 H SER A 86 -25.232 -5.000 -4.292 1.00 0.00 H new ATOM 0 HA SER A 86 -23.347 -3.100 -3.724 1.00 0.00 H new ATOM 0 HB2 SER A 86 -22.986 -5.746 -5.200 1.00 0.00 H new ATOM 0 HB3 SER A 86 -21.696 -4.846 -4.428 1.00 0.00 H new ATOM 0 HG SER A 86 -23.843 -6.274 -3.259 1.00 0.00 H new ATOM 1320 N HIS A 87 -23.519 -3.656 -6.982 1.00 0.00 N ATOM 1321 CA HIS A 87 -23.182 -3.094 -8.285 1.00 0.00 C ATOM 1322 C HIS A 87 -23.871 -1.748 -8.491 1.00 0.00 C ATOM 1323 O HIS A 87 -24.909 -1.664 -9.149 1.00 0.00 O ATOM 1324 CB HIS A 87 -23.581 -4.061 -9.400 1.00 0.00 C ATOM 1325 CG HIS A 87 -22.792 -5.334 -9.400 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -21.415 -5.365 -9.459 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -23.195 -6.625 -9.347 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -21.005 -6.621 -9.444 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -22.065 -7.405 -9.375 1.00 0.00 N ATOM 0 H HIS A 87 -24.063 -4.518 -7.023 1.00 0.00 H new ATOM 0 HA HIS A 87 -22.104 -2.939 -8.318 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -24.640 -4.300 -9.301 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -23.455 -3.565 -10.362 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -24.215 -6.976 -9.293 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -19.977 -6.950 -9.482 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -22.048 -8.424 -9.347 1.00 0.00 H new