USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 818 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 36 SER OG : rot -39:sc= 0.823 USER MOD Set 1.2: A 87 CYS SG : rot -100:sc= 0.706 USER MOD Set 2.1: A 69 SER OG : rot -173:sc= 1.25 USER MOD Set 2.2: A 76 GLN : amide:sc= 1.07 K(o=2.3,f=-1.6) USER MOD Set 3.1: A 24 MET CE :methyl -179:sc= 0 (180deg=-0.0012) USER MOD Set 3.2: A 52 SER OG : rot -1:sc= 0.357 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -82:sc= 1.3 USER MOD Single : A 17 SER OG : rot 85:sc= 1.19 USER MOD Single : A 18 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.34) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= 1.9 (180deg=1.79) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 128:sc= 1.34 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 1.17 (180deg=1.11) USER MOD Single : A 32 GLN : amide:sc= 0.549 K(o=0.55,f=-7.7!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0372 USER MOD Single : A 37 GLN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 38 THR OG1 : rot 79:sc= 0.0938 USER MOD Single : A 41 GLN : amide:sc= 0.725 K(o=0.73,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 88:sc= 1.25 USER MOD Single : A 47 ASN : amide:sc=-0.00559 K(o=-0.0056,f=-1.1) USER MOD Single : A 54 ASN : amide:sc= 0.145 K(o=0.15,f=-0.51) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 80:sc= 1.2 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 33:sc= 0.217 USER MOD Single : A 90 THR OG1 : rot 69:sc= 0.836 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.23) USER MOD Single : A 96 SER OG : rot -73:sc= 1.24 USER MOD Single : A 100 GLN : amide:sc= 1.55 K(o=1.6,f=-7.9!) USER MOD Single : A 102 GLN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0.855) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 CYS SG : rot 180:sc= -0.885 USER MOD Single : A 109 SER OG : rot 58:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 6 -2.619 7.068 -8.522 1.00 0.00 N ATOM 78 CA ALA A 6 -3.187 8.408 -8.345 1.00 0.00 C ATOM 79 C ALA A 6 -2.274 9.330 -7.514 1.00 0.00 C ATOM 80 O ALA A 6 -2.127 10.507 -7.851 1.00 0.00 O ATOM 81 CB ALA A 6 -4.577 8.258 -7.711 1.00 0.00 C ATOM 0 HA ALA A 6 -3.274 8.892 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.021 9.244 -7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.214 7.664 -8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.485 7.759 -6.746 1.00 0.00 H new ATOM 87 N LEU A 7 -1.609 8.801 -6.477 1.00 0.00 N ATOM 88 CA LEU A 7 -0.617 9.526 -5.672 1.00 0.00 C ATOM 89 C LEU A 7 0.572 9.931 -6.555 1.00 0.00 C ATOM 90 O LEU A 7 0.894 11.114 -6.653 1.00 0.00 O ATOM 91 CB LEU A 7 -0.230 8.632 -4.468 1.00 0.00 C ATOM 92 CG LEU A 7 0.477 9.287 -3.263 1.00 0.00 C ATOM 93 CD1 LEU A 7 1.905 9.757 -3.563 1.00 0.00 C ATOM 94 CD2 LEU A 7 -0.347 10.441 -2.679 1.00 0.00 C ATOM 0 H LEU A 7 -1.749 7.839 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.020 10.457 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.140 8.158 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.416 7.837 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 7 0.557 8.494 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.336 10.206 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.512 8.905 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.884 10.495 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.185 10.876 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.498 11.203 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.314 10.065 -2.345 1.00 0.00 H new ATOM 106 N LYS A 8 1.151 8.981 -7.298 1.00 0.00 N ATOM 107 CA LYS A 8 2.271 9.235 -8.218 1.00 0.00 C ATOM 108 C LYS A 8 1.921 10.271 -9.304 1.00 0.00 C ATOM 109 O LYS A 8 2.713 11.181 -9.557 1.00 0.00 O ATOM 110 CB LYS A 8 2.718 7.905 -8.851 1.00 0.00 C ATOM 111 CG LYS A 8 3.389 6.975 -7.826 1.00 0.00 C ATOM 112 CD LYS A 8 3.752 5.602 -8.411 1.00 0.00 C ATOM 113 CE LYS A 8 4.825 5.698 -9.507 1.00 0.00 C ATOM 114 NZ LYS A 8 5.218 4.352 -10.012 1.00 0.00 N ATOM 0 H LYS A 8 0.855 8.005 -7.279 1.00 0.00 H new ATOM 0 HA LYS A 8 3.091 9.663 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.854 7.402 -9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.413 8.107 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.292 7.453 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.720 6.837 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.110 4.953 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.856 5.137 -8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.449 6.301 -10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.703 6.210 -9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.943 4.456 -10.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.600 3.785 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.385 3.874 -10.411 1.00 0.00 H new ATOM 128 N THR A 9 0.720 10.185 -9.893 1.00 0.00 N ATOM 129 CA THR A 9 0.175 11.132 -10.871 1.00 0.00 C ATOM 130 C THR A 9 -0.047 12.517 -10.267 1.00 0.00 C ATOM 131 O THR A 9 0.257 13.502 -10.932 1.00 0.00 O ATOM 132 CB THR A 9 -1.091 10.522 -11.462 1.00 0.00 C ATOM 133 OG1 THR A 9 -0.703 9.439 -12.279 1.00 0.00 O ATOM 134 CG2 THR A 9 -1.904 11.486 -12.311 1.00 0.00 C ATOM 0 H THR A 9 0.076 9.420 -9.691 1.00 0.00 H new ATOM 0 HA THR A 9 0.894 11.297 -11.674 1.00 0.00 H new ATOM 0 HB THR A 9 -1.726 10.225 -10.627 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.499 9.025 -12.673 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.788 10.976 -12.695 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.211 12.337 -11.703 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.297 11.837 -13.145 1.00 0.00 H new ATOM 142 N THR A 10 -0.515 12.618 -9.014 1.00 0.00 N ATOM 143 CA THR A 10 -0.682 13.901 -8.301 1.00 0.00 C ATOM 144 C THR A 10 0.668 14.590 -8.123 1.00 0.00 C ATOM 145 O THR A 10 0.805 15.766 -8.478 1.00 0.00 O ATOM 146 CB THR A 10 -1.388 13.691 -6.952 1.00 0.00 C ATOM 147 OG1 THR A 10 -2.648 13.102 -7.181 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.628 15.008 -6.208 1.00 0.00 C ATOM 0 H THR A 10 -0.791 11.808 -8.460 1.00 0.00 H new ATOM 0 HA THR A 10 -1.315 14.552 -8.903 1.00 0.00 H new ATOM 0 HB THR A 10 -0.741 13.058 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.529 12.162 -7.430 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.129 14.805 -5.262 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.673 15.496 -6.015 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.253 15.661 -6.817 1.00 0.00 H new ATOM 156 N LEU A 11 1.668 13.851 -7.626 1.00 0.00 N ATOM 157 CA LEU A 11 3.044 14.336 -7.485 1.00 0.00 C ATOM 158 C LEU A 11 3.599 14.807 -8.832 1.00 0.00 C ATOM 159 O LEU A 11 3.994 15.965 -8.936 1.00 0.00 O ATOM 160 CB LEU A 11 3.939 13.263 -6.828 1.00 0.00 C ATOM 161 CG LEU A 11 3.567 12.913 -5.372 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.527 11.841 -4.838 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.607 14.131 -4.442 1.00 0.00 C ATOM 0 H LEU A 11 1.542 12.890 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 11 3.040 15.201 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.893 12.354 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.973 13.608 -6.851 1.00 0.00 H new ATOM 0 HG LEU A 11 2.542 12.542 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.262 11.595 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.453 10.946 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.549 12.219 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.337 13.826 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.612 14.552 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.900 14.882 -4.795 1.00 0.00 H new ATOM 175 N ASP A 12 3.547 13.974 -9.874 1.00 0.00 N ATOM 176 CA ASP A 12 4.012 14.323 -11.220 1.00 0.00 C ATOM 177 C ASP A 12 3.341 15.596 -11.757 1.00 0.00 C ATOM 178 O ASP A 12 4.033 16.496 -12.236 1.00 0.00 O ATOM 179 CB ASP A 12 3.755 13.148 -12.171 1.00 0.00 C ATOM 180 CG ASP A 12 4.317 13.429 -13.575 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.560 13.403 -13.738 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.514 13.663 -14.509 1.00 0.00 O ATOM 0 H ASP A 12 3.176 13.026 -9.807 1.00 0.00 H new ATOM 0 HA ASP A 12 5.081 14.527 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.213 12.245 -11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.684 12.959 -12.237 1.00 0.00 H new ATOM 187 N LYS A 13 2.017 15.732 -11.602 1.00 0.00 N ATOM 188 CA LYS A 13 1.276 16.929 -12.007 1.00 0.00 C ATOM 189 C LYS A 13 1.776 18.183 -11.277 1.00 0.00 C ATOM 190 O LYS A 13 2.114 19.156 -11.954 1.00 0.00 O ATOM 191 CB LYS A 13 -0.238 16.709 -11.808 1.00 0.00 C ATOM 192 CG LYS A 13 -0.831 15.818 -12.914 1.00 0.00 C ATOM 193 CD LYS A 13 -2.272 15.375 -12.607 1.00 0.00 C ATOM 194 CE LYS A 13 -3.289 16.524 -12.489 1.00 0.00 C ATOM 195 NZ LYS A 13 -3.552 17.190 -13.794 1.00 0.00 N ATOM 0 H LYS A 13 1.428 15.008 -11.189 1.00 0.00 H new ATOM 0 HA LYS A 13 1.456 17.101 -13.068 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.415 16.249 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.749 17.672 -11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.815 16.360 -13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.203 14.936 -13.041 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.603 14.695 -13.392 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.273 14.811 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.225 16.136 -12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.918 17.261 -11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.243 17.956 -13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.665 17.585 -14.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.932 16.495 -14.468 1.00 0.00 H new ATOM 209 N VAL A 14 1.927 18.175 -9.944 1.00 0.00 N ATOM 210 CA VAL A 14 2.420 19.355 -9.225 1.00 0.00 C ATOM 211 C VAL A 14 3.918 19.615 -9.462 1.00 0.00 C ATOM 212 O VAL A 14 4.316 20.770 -9.585 1.00 0.00 O ATOM 213 CB VAL A 14 2.077 19.331 -7.722 1.00 0.00 C ATOM 214 CG1 VAL A 14 0.558 19.281 -7.491 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.772 18.237 -6.902 1.00 0.00 C ATOM 0 H VAL A 14 1.717 17.373 -9.349 1.00 0.00 H new ATOM 0 HA VAL A 14 1.881 20.200 -9.654 1.00 0.00 H new ATOM 0 HB VAL A 14 2.480 20.272 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.353 19.265 -6.421 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.093 20.160 -7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.149 18.382 -7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.461 18.310 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.497 17.258 -7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.853 18.364 -6.968 1.00 0.00 H new ATOM 225 N VAL A 15 4.733 18.562 -9.605 1.00 0.00 N ATOM 226 CA VAL A 15 6.183 18.645 -9.870 1.00 0.00 C ATOM 227 C VAL A 15 6.495 19.240 -11.253 1.00 0.00 C ATOM 228 O VAL A 15 7.470 19.978 -11.393 1.00 0.00 O ATOM 229 CB VAL A 15 6.826 17.254 -9.703 1.00 0.00 C ATOM 230 CG1 VAL A 15 8.197 17.075 -10.369 1.00 0.00 C ATOM 231 CG2 VAL A 15 6.965 16.911 -8.206 1.00 0.00 C ATOM 0 H VAL A 15 4.397 17.601 -9.539 1.00 0.00 H new ATOM 0 HA VAL A 15 6.616 19.328 -9.139 1.00 0.00 H new ATOM 0 HB VAL A 15 6.145 16.577 -10.218 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.559 16.062 -10.191 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.105 17.244 -11.442 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.902 17.792 -9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.420 15.926 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.594 17.656 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.979 16.907 -7.740 1.00 0.00 H new ATOM 241 N THR A 16 5.675 18.937 -12.269 1.00 0.00 N ATOM 242 CA THR A 16 5.835 19.467 -13.636 1.00 0.00 C ATOM 243 C THR A 16 5.193 20.841 -13.808 1.00 0.00 C ATOM 244 O THR A 16 5.784 21.702 -14.455 1.00 0.00 O ATOM 245 CB THR A 16 5.302 18.486 -14.692 1.00 0.00 C ATOM 246 OG1 THR A 16 3.979 18.105 -14.395 1.00 0.00 O ATOM 247 CG2 THR A 16 6.162 17.222 -14.771 1.00 0.00 C ATOM 0 H THR A 16 4.875 18.313 -12.167 1.00 0.00 H new ATOM 0 HA THR A 16 6.907 19.586 -13.791 1.00 0.00 H new ATOM 0 HB THR A 16 5.337 19.004 -15.650 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.987 17.386 -13.730 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.755 16.552 -15.528 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.184 17.493 -15.038 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.161 16.720 -13.803 1.00 0.00 H new ATOM 255 N SER A 17 4.025 21.075 -13.206 1.00 0.00 N ATOM 256 CA SER A 17 3.270 22.332 -13.381 1.00 0.00 C ATOM 257 C SER A 17 3.879 23.527 -12.626 1.00 0.00 C ATOM 258 O SER A 17 3.682 24.676 -13.028 1.00 0.00 O ATOM 259 CB SER A 17 1.812 22.158 -12.923 1.00 0.00 C ATOM 260 OG SER A 17 1.155 21.097 -13.602 1.00 0.00 O ATOM 0 H SER A 17 3.571 20.405 -12.584 1.00 0.00 H new ATOM 0 HA SER A 17 3.318 22.553 -14.447 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.791 21.967 -11.850 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.267 23.087 -13.092 1.00 0.00 H new ATOM 0 HG SER A 17 1.353 20.249 -13.153 1.00 0.00 H new ATOM 266 N HIS A 18 4.630 23.274 -11.549 1.00 0.00 N ATOM 267 CA HIS A 18 5.273 24.298 -10.718 1.00 0.00 C ATOM 268 C HIS A 18 6.759 23.944 -10.519 1.00 0.00 C ATOM 269 O HIS A 18 7.088 22.811 -10.174 1.00 0.00 O ATOM 270 CB HIS A 18 4.546 24.374 -9.365 1.00 0.00 C ATOM 271 CG HIS A 18 3.057 24.602 -9.480 1.00 0.00 C ATOM 272 ND1 HIS A 18 2.414 25.812 -9.608 1.00 0.00 N ATOM 273 CD2 HIS A 18 2.086 23.635 -9.454 1.00 0.00 C ATOM 274 CE1 HIS A 18 1.092 25.577 -9.662 1.00 0.00 C ATOM 275 NE2 HIS A 18 0.837 24.256 -9.575 1.00 0.00 N ATOM 0 H HIS A 18 4.813 22.325 -11.222 1.00 0.00 H new ATOM 0 HA HIS A 18 5.214 25.270 -11.208 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.720 23.447 -8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.982 25.180 -8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.256 22.573 -9.357 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.336 26.342 -9.762 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.077 23.803 -9.593 1.00 0.00 H new ATOM 283 N LYS A 19 7.677 24.897 -10.740 1.00 0.00 N ATOM 284 CA LYS A 19 9.118 24.586 -10.790 1.00 0.00 C ATOM 285 C LYS A 19 9.706 24.179 -9.430 1.00 0.00 C ATOM 286 O LYS A 19 10.439 23.198 -9.365 1.00 0.00 O ATOM 287 CB LYS A 19 9.879 25.773 -11.417 1.00 0.00 C ATOM 288 CG LYS A 19 9.453 26.161 -12.848 1.00 0.00 C ATOM 289 CD LYS A 19 9.538 25.029 -13.890 1.00 0.00 C ATOM 290 CE LYS A 19 8.220 24.233 -13.998 1.00 0.00 C ATOM 291 NZ LYS A 19 8.308 23.138 -15.001 1.00 0.00 N ATOM 0 H LYS A 19 7.453 25.881 -10.886 1.00 0.00 H new ATOM 0 HA LYS A 19 9.242 23.706 -11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.753 26.643 -10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.943 25.534 -11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.427 26.528 -12.817 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.078 26.989 -13.183 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.785 25.452 -14.864 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.348 24.351 -13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.970 23.812 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.410 24.909 -14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.514 22.480 -14.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.266 23.541 -15.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.206 22.627 -14.879 1.00 0.00 H new ATOM 305 N VAL A 20 9.372 24.891 -8.351 1.00 0.00 N ATOM 306 CA VAL A 20 9.874 24.629 -6.984 1.00 0.00 C ATOM 307 C VAL A 20 8.708 24.187 -6.094 1.00 0.00 C ATOM 308 O VAL A 20 7.662 24.831 -6.104 1.00 0.00 O ATOM 309 CB VAL A 20 10.569 25.892 -6.424 1.00 0.00 C ATOM 310 CG1 VAL A 20 10.979 25.734 -4.958 1.00 0.00 C ATOM 311 CG2 VAL A 20 11.829 26.235 -7.235 1.00 0.00 C ATOM 0 H VAL A 20 8.732 25.684 -8.396 1.00 0.00 H new ATOM 0 HA VAL A 20 10.613 23.828 -7.006 1.00 0.00 H new ATOM 0 HB VAL A 20 9.835 26.694 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.462 26.649 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.094 25.541 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.673 24.899 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.298 27.127 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.530 25.402 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.554 26.420 -8.273 1.00 0.00 H new ATOM 321 N VAL A 21 8.873 23.100 -5.330 1.00 0.00 N ATOM 322 CA VAL A 21 7.780 22.486 -4.551 1.00 0.00 C ATOM 323 C VAL A 21 8.284 22.010 -3.184 1.00 0.00 C ATOM 324 O VAL A 21 9.181 21.174 -3.115 1.00 0.00 O ATOM 325 CB VAL A 21 7.154 21.288 -5.318 1.00 0.00 C ATOM 326 CG1 VAL A 21 5.836 20.854 -4.655 1.00 0.00 C ATOM 327 CG2 VAL A 21 6.895 21.589 -6.806 1.00 0.00 C ATOM 0 H VAL A 21 9.767 22.618 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 21 7.016 23.249 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 21 7.887 20.483 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.411 20.014 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.029 20.553 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.133 21.687 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.458 20.712 -7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.208 22.430 -6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.836 21.838 -7.296 1.00 0.00 H new ATOM 337 N LEU A 22 7.702 22.524 -2.095 1.00 0.00 N ATOM 338 CA LEU A 22 7.928 22.019 -0.733 1.00 0.00 C ATOM 339 C LEU A 22 6.860 20.985 -0.359 1.00 0.00 C ATOM 340 O LEU A 22 5.702 21.093 -0.768 1.00 0.00 O ATOM 341 CB LEU A 22 7.914 23.180 0.291 1.00 0.00 C ATOM 342 CG LEU A 22 9.167 24.074 0.400 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.384 23.275 0.885 1.00 0.00 C ATOM 344 CD2 LEU A 22 9.483 24.836 -0.895 1.00 0.00 C ATOM 0 H LEU A 22 7.054 23.311 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 22 8.908 21.542 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.066 23.823 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.724 22.753 1.276 1.00 0.00 H new ATOM 0 HG LEU A 22 8.933 24.830 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.249 23.934 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.174 22.853 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.594 22.469 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.375 25.445 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.656 24.125 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.642 25.480 -1.153 1.00 0.00 H new ATOM 356 N PHE A 23 7.235 20.030 0.487 1.00 0.00 N ATOM 357 CA PHE A 23 6.346 19.041 1.095 1.00 0.00 C ATOM 358 C PHE A 23 6.504 19.093 2.620 1.00 0.00 C ATOM 359 O PHE A 23 7.574 18.786 3.153 1.00 0.00 O ATOM 360 CB PHE A 23 6.676 17.657 0.516 1.00 0.00 C ATOM 361 CG PHE A 23 6.350 17.518 -0.960 1.00 0.00 C ATOM 362 CD1 PHE A 23 7.294 17.885 -1.940 1.00 0.00 C ATOM 363 CD2 PHE A 23 5.088 17.038 -1.361 1.00 0.00 C ATOM 364 CE1 PHE A 23 6.975 17.769 -3.304 1.00 0.00 C ATOM 365 CE2 PHE A 23 4.765 16.936 -2.725 1.00 0.00 C ATOM 366 CZ PHE A 23 5.709 17.299 -3.698 1.00 0.00 C ATOM 0 H PHE A 23 8.205 19.918 0.781 1.00 0.00 H new ATOM 0 HA PHE A 23 5.302 19.256 0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.737 17.454 0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.125 16.899 1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.264 18.256 -1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.363 16.746 -0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.704 18.042 -4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.791 16.578 -3.024 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.464 17.218 -4.747 1.00 0.00 H new ATOM 376 N MET A 24 5.436 19.507 3.310 1.00 0.00 N ATOM 377 CA MET A 24 5.368 19.719 4.768 1.00 0.00 C ATOM 378 C MET A 24 3.903 19.783 5.240 1.00 0.00 C ATOM 379 O MET A 24 2.994 19.627 4.428 1.00 0.00 O ATOM 380 CB MET A 24 6.201 20.958 5.162 1.00 0.00 C ATOM 381 CG MET A 24 5.666 22.286 4.623 1.00 0.00 C ATOM 382 SD MET A 24 6.693 23.686 5.136 1.00 0.00 S ATOM 383 CE MET A 24 5.869 24.973 4.179 1.00 0.00 C ATOM 0 H MET A 24 4.550 19.715 2.849 1.00 0.00 H new ATOM 0 HA MET A 24 5.812 18.869 5.286 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.249 21.016 6.249 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.222 20.821 4.805 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.625 22.246 3.535 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.645 22.436 4.975 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.370 25.927 4.345 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.910 24.721 3.119 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.828 25.051 4.494 1.00 0.00 H new ATOM 393 N LYS A 25 3.637 19.999 6.529 1.00 0.00 N ATOM 394 CA LYS A 25 2.260 20.114 7.049 1.00 0.00 C ATOM 395 C LYS A 25 1.608 21.452 6.646 1.00 0.00 C ATOM 396 O LYS A 25 0.428 21.494 6.290 1.00 0.00 O ATOM 397 CB LYS A 25 2.281 19.972 8.582 1.00 0.00 C ATOM 398 CG LYS A 25 2.721 18.572 9.037 1.00 0.00 C ATOM 399 CD LYS A 25 2.718 18.421 10.565 1.00 0.00 C ATOM 400 CE LYS A 25 3.814 19.274 11.224 1.00 0.00 C ATOM 401 NZ LYS A 25 3.837 19.092 12.702 1.00 0.00 N ATOM 0 H LYS A 25 4.359 20.100 7.243 1.00 0.00 H new ATOM 0 HA LYS A 25 1.661 19.315 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.956 20.716 9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.287 20.183 8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.057 17.826 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.722 18.368 8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.744 18.714 10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.866 17.373 10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.785 19.004 10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.648 20.325 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.588 19.682 13.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.919 19.373 13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.020 18.093 12.926 1.00 0.00 H new ATOM 415 N GLY A 26 2.391 22.538 6.687 1.00 0.00 N ATOM 416 CA GLY A 26 1.958 23.927 6.443 1.00 0.00 C ATOM 417 C GLY A 26 1.818 24.297 4.959 1.00 0.00 C ATOM 418 O GLY A 26 2.357 23.617 4.082 1.00 0.00 O ATOM 0 H GLY A 26 3.386 22.474 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.000 24.088 6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.674 24.605 6.908 1.00 0.00 H new ATOM 422 N THR A 27 1.084 25.388 4.696 1.00 0.00 N ATOM 423 CA THR A 27 0.826 25.965 3.358 1.00 0.00 C ATOM 424 C THR A 27 1.919 26.955 2.946 1.00 0.00 C ATOM 425 O THR A 27 2.771 27.338 3.744 1.00 0.00 O ATOM 426 CB THR A 27 -0.544 26.667 3.325 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.579 27.659 4.317 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.718 25.716 3.558 1.00 0.00 C ATOM 0 H THR A 27 0.632 25.920 5.440 1.00 0.00 H new ATOM 0 HA THR A 27 0.828 25.139 2.647 1.00 0.00 H new ATOM 0 HB THR A 27 -0.654 27.088 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.855 28.511 3.918 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.653 26.276 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.724 24.949 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.615 25.244 4.535 1.00 0.00 H new ATOM 436 N LYS A 28 1.877 27.413 1.690 1.00 0.00 N ATOM 437 CA LYS A 28 2.842 28.392 1.157 1.00 0.00 C ATOM 438 C LYS A 28 2.653 29.821 1.711 1.00 0.00 C ATOM 439 O LYS A 28 3.607 30.600 1.737 1.00 0.00 O ATOM 440 CB LYS A 28 2.811 28.357 -0.383 1.00 0.00 C ATOM 441 CG LYS A 28 1.471 28.769 -1.018 1.00 0.00 C ATOM 442 CD LYS A 28 1.557 28.638 -2.544 1.00 0.00 C ATOM 443 CE LYS A 28 0.206 28.954 -3.198 1.00 0.00 C ATOM 444 NZ LYS A 28 0.257 28.741 -4.669 1.00 0.00 N ATOM 0 H LYS A 28 1.175 27.118 1.011 1.00 0.00 H new ATOM 0 HA LYS A 28 3.832 28.096 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.593 29.016 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.057 27.348 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.668 28.140 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.229 29.796 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.319 29.316 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.866 27.627 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.568 28.322 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.070 29.987 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.694 28.864 -5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.905 29.432 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.596 27.778 -4.869 1.00 0.00 H new ATOM 458 N ASP A 29 1.448 30.157 2.177 1.00 0.00 N ATOM 459 CA ASP A 29 1.109 31.431 2.831 1.00 0.00 C ATOM 460 C ASP A 29 1.264 31.399 4.368 1.00 0.00 C ATOM 461 O ASP A 29 1.316 32.457 4.996 1.00 0.00 O ATOM 462 CB ASP A 29 -0.297 31.880 2.400 1.00 0.00 C ATOM 463 CG ASP A 29 -1.455 31.034 2.958 1.00 0.00 C ATOM 464 OD1 ASP A 29 -1.336 29.785 3.002 1.00 0.00 O ATOM 465 OD2 ASP A 29 -2.509 31.625 3.298 1.00 0.00 O ATOM 0 H ASP A 29 0.648 29.528 2.108 1.00 0.00 H new ATOM 0 HA ASP A 29 1.836 32.171 2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.442 32.915 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.348 31.864 1.311 1.00 0.00 H new ATOM 470 N PHE A 30 1.406 30.203 4.958 1.00 0.00 N ATOM 471 CA PHE A 30 1.776 29.978 6.361 1.00 0.00 C ATOM 472 C PHE A 30 2.914 28.929 6.455 1.00 0.00 C ATOM 473 O PHE A 30 2.696 27.828 6.978 1.00 0.00 O ATOM 474 CB PHE A 30 0.532 29.587 7.183 1.00 0.00 C ATOM 475 CG PHE A 30 -0.517 30.677 7.313 1.00 0.00 C ATOM 476 CD1 PHE A 30 -0.286 31.784 8.154 1.00 0.00 C ATOM 477 CD2 PHE A 30 -1.735 30.581 6.610 1.00 0.00 C ATOM 478 CE1 PHE A 30 -1.261 32.788 8.290 1.00 0.00 C ATOM 479 CE2 PHE A 30 -2.712 31.584 6.749 1.00 0.00 C ATOM 480 CZ PHE A 30 -2.476 32.685 7.590 1.00 0.00 C ATOM 0 H PHE A 30 1.260 29.331 4.449 1.00 0.00 H new ATOM 0 HA PHE A 30 2.163 30.902 6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.071 28.712 6.724 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.853 29.291 8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.645 31.862 8.697 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.919 29.736 5.963 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.077 33.637 8.931 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.644 31.508 6.209 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.228 33.452 7.699 1.00 0.00 H new ATOM 490 N PRO A 31 4.126 29.242 5.939 1.00 0.00 N ATOM 491 CA PRO A 31 5.258 28.322 5.928 1.00 0.00 C ATOM 492 C PRO A 31 5.824 28.137 7.340 1.00 0.00 C ATOM 493 O PRO A 31 5.872 29.080 8.131 1.00 0.00 O ATOM 494 CB PRO A 31 6.272 28.938 4.962 1.00 0.00 C ATOM 495 CG PRO A 31 6.014 30.439 5.106 1.00 0.00 C ATOM 496 CD PRO A 31 4.504 30.505 5.313 1.00 0.00 C ATOM 0 HA PRO A 31 4.977 27.321 5.602 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.296 28.677 5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.114 28.597 3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.557 30.863 5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.325 30.990 4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.234 31.350 5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.986 30.640 4.364 1.00 0.00 H new ATOM 504 N GLN A 32 6.257 26.911 7.652 1.00 0.00 N ATOM 505 CA GLN A 32 6.627 26.501 9.008 1.00 0.00 C ATOM 506 C GLN A 32 7.911 27.190 9.490 1.00 0.00 C ATOM 507 O GLN A 32 8.948 27.143 8.825 1.00 0.00 O ATOM 508 CB GLN A 32 6.766 24.971 9.073 1.00 0.00 C ATOM 509 CG GLN A 32 5.410 24.264 8.878 1.00 0.00 C ATOM 510 CD GLN A 32 5.503 22.739 8.901 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.923 22.057 8.072 1.00 0.00 O ATOM 512 NE2 GLN A 32 6.210 22.131 9.832 1.00 0.00 N ATOM 0 H GLN A 32 6.361 26.168 6.961 1.00 0.00 H new ATOM 0 HA GLN A 32 5.830 26.816 9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.464 24.637 8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.190 24.685 10.036 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.725 24.589 9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.980 24.579 7.927 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.704 22.679 10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.263 21.113 9.848 1.00 0.00 H new ATOM 521 N CYS A 33 7.831 27.812 10.673 1.00 0.00 N ATOM 522 CA CYS A 33 8.919 28.553 11.315 1.00 0.00 C ATOM 523 C CYS A 33 10.206 27.717 11.485 1.00 0.00 C ATOM 524 O CYS A 33 10.165 26.506 11.742 1.00 0.00 O ATOM 525 CB CYS A 33 8.412 29.149 12.642 1.00 0.00 C ATOM 526 SG CYS A 33 7.765 27.854 13.744 1.00 0.00 S ATOM 0 H CYS A 33 6.975 27.812 11.228 1.00 0.00 H new ATOM 0 HA CYS A 33 9.214 29.370 10.656 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.224 29.680 13.139 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.630 29.881 12.439 1.00 0.00 H new ATOM 0 HG CYS A 33 7.350 28.394 14.851 1.00 0.00 H new ATOM 532 N GLY A 34 11.357 28.388 11.359 1.00 0.00 N ATOM 533 CA GLY A 34 12.674 27.751 11.268 1.00 0.00 C ATOM 534 C GLY A 34 13.046 27.489 9.808 1.00 0.00 C ATOM 535 O GLY A 34 12.739 28.301 8.933 1.00 0.00 O ATOM 0 H GLY A 34 11.399 29.406 11.317 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.426 28.390 11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.669 26.812 11.822 1.00 0.00 H new ATOM 539 N PHE A 35 13.717 26.359 9.555 1.00 0.00 N ATOM 540 CA PHE A 35 14.346 26.037 8.268 1.00 0.00 C ATOM 541 C PHE A 35 13.410 26.180 7.062 1.00 0.00 C ATOM 542 O PHE A 35 13.812 26.778 6.073 1.00 0.00 O ATOM 543 CB PHE A 35 14.962 24.631 8.333 1.00 0.00 C ATOM 544 CG PHE A 35 15.979 24.435 9.442 1.00 0.00 C ATOM 545 CD1 PHE A 35 17.265 24.998 9.323 1.00 0.00 C ATOM 546 CD2 PHE A 35 15.645 23.691 10.591 1.00 0.00 C ATOM 547 CE1 PHE A 35 18.208 24.828 10.354 1.00 0.00 C ATOM 548 CE2 PHE A 35 16.592 23.517 11.617 1.00 0.00 C ATOM 549 CZ PHE A 35 17.872 24.086 11.501 1.00 0.00 C ATOM 0 H PHE A 35 13.841 25.627 10.254 1.00 0.00 H new ATOM 0 HA PHE A 35 15.130 26.777 8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.160 23.904 8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.440 24.414 7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 35 17.528 25.561 8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.662 23.254 10.684 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.190 25.268 10.264 1.00 0.00 H new ATOM 0 HE2 PHE A 35 16.335 22.945 12.496 1.00 0.00 H new ATOM 0 HZ PHE A 35 18.596 23.954 12.291 1.00 0.00 H new ATOM 559 N SER A 36 12.170 25.693 7.111 1.00 0.00 N ATOM 560 CA SER A 36 11.246 25.783 5.963 1.00 0.00 C ATOM 561 C SER A 36 10.898 27.238 5.605 1.00 0.00 C ATOM 562 O SER A 36 11.032 27.626 4.443 1.00 0.00 O ATOM 563 CB SER A 36 9.981 24.963 6.227 1.00 0.00 C ATOM 564 OG SER A 36 10.334 23.602 6.417 1.00 0.00 O ATOM 0 H SER A 36 11.775 25.231 7.930 1.00 0.00 H new ATOM 0 HA SER A 36 11.760 25.362 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.465 25.343 7.109 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.291 25.058 5.389 1.00 0.00 H new ATOM 0 HG SER A 36 11.046 23.358 5.789 1.00 0.00 H new ATOM 570 N GLN A 37 10.549 28.076 6.588 1.00 0.00 N ATOM 571 CA GLN A 37 10.284 29.508 6.386 1.00 0.00 C ATOM 572 C GLN A 37 11.515 30.242 5.823 1.00 0.00 C ATOM 573 O GLN A 37 11.377 31.039 4.892 1.00 0.00 O ATOM 574 CB GLN A 37 9.770 30.107 7.708 1.00 0.00 C ATOM 575 CG GLN A 37 9.269 31.555 7.582 1.00 0.00 C ATOM 576 CD GLN A 37 8.566 32.034 8.857 1.00 0.00 C ATOM 577 OE1 GLN A 37 9.046 32.910 9.568 1.00 0.00 O ATOM 578 NE2 GLN A 37 7.418 31.483 9.212 1.00 0.00 N ATOM 0 H GLN A 37 10.441 27.777 7.557 1.00 0.00 H new ATOM 0 HA GLN A 37 9.510 29.638 5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.960 29.484 8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.571 30.073 8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.111 32.212 7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.581 31.628 6.740 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.002 30.753 8.634 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.948 31.788 10.064 1.00 0.00 H new ATOM 587 N THR A 38 12.723 29.924 6.308 1.00 0.00 N ATOM 588 CA THR A 38 13.986 30.403 5.720 1.00 0.00 C ATOM 589 C THR A 38 14.132 29.924 4.277 1.00 0.00 C ATOM 590 O THR A 38 14.394 30.725 3.388 1.00 0.00 O ATOM 591 CB THR A 38 15.182 29.959 6.581 1.00 0.00 C ATOM 592 OG1 THR A 38 14.971 30.358 7.915 1.00 0.00 O ATOM 593 CG2 THR A 38 16.501 30.573 6.117 1.00 0.00 C ATOM 0 H THR A 38 12.854 29.325 7.123 1.00 0.00 H new ATOM 0 HA THR A 38 13.968 31.493 5.704 1.00 0.00 H new ATOM 0 HB THR A 38 15.252 28.875 6.488 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.352 29.735 8.349 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.310 30.226 6.760 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.700 30.273 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.436 31.660 6.171 1.00 0.00 H new ATOM 601 N VAL A 39 13.904 28.638 4.020 1.00 0.00 N ATOM 602 CA VAL A 39 14.063 28.007 2.697 1.00 0.00 C ATOM 603 C VAL A 39 13.088 28.556 1.655 1.00 0.00 C ATOM 604 O VAL A 39 13.525 28.834 0.542 1.00 0.00 O ATOM 605 CB VAL A 39 13.993 26.469 2.802 1.00 0.00 C ATOM 606 CG1 VAL A 39 13.691 25.745 1.481 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.341 25.971 3.336 1.00 0.00 C ATOM 0 H VAL A 39 13.596 27.983 4.739 1.00 0.00 H new ATOM 0 HA VAL A 39 15.058 28.271 2.340 1.00 0.00 H new ATOM 0 HB VAL A 39 13.159 26.239 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.662 24.669 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.727 26.077 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.470 25.974 0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.320 24.884 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.135 26.266 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.527 26.408 4.317 1.00 0.00 H new ATOM 617 N VAL A 40 11.807 28.769 1.978 1.00 0.00 N ATOM 618 CA VAL A 40 10.876 29.371 1.013 1.00 0.00 C ATOM 619 C VAL A 40 11.240 30.829 0.695 1.00 0.00 C ATOM 620 O VAL A 40 11.114 31.236 -0.457 1.00 0.00 O ATOM 621 CB VAL A 40 9.396 29.244 1.426 1.00 0.00 C ATOM 622 CG1 VAL A 40 8.953 27.775 1.520 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.029 29.989 2.711 1.00 0.00 C ATOM 0 H VAL A 40 11.396 28.539 2.883 1.00 0.00 H new ATOM 0 HA VAL A 40 10.990 28.788 0.099 1.00 0.00 H new ATOM 0 HB VAL A 40 8.848 29.735 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.904 27.729 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.080 27.294 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.561 27.259 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.970 29.845 2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.623 29.601 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.232 31.053 2.586 1.00 0.00 H new ATOM 633 N GLN A 41 11.756 31.596 1.673 1.00 0.00 N ATOM 634 CA GLN A 41 12.302 32.937 1.412 1.00 0.00 C ATOM 635 C GLN A 41 13.568 32.882 0.538 1.00 0.00 C ATOM 636 O GLN A 41 13.687 33.671 -0.398 1.00 0.00 O ATOM 637 CB GLN A 41 12.570 33.666 2.738 1.00 0.00 C ATOM 638 CG GLN A 41 11.267 34.097 3.435 1.00 0.00 C ATOM 639 CD GLN A 41 11.535 34.649 4.833 1.00 0.00 C ATOM 640 OE1 GLN A 41 11.560 35.851 5.069 1.00 0.00 O ATOM 641 NE2 GLN A 41 11.773 33.790 5.802 1.00 0.00 N ATOM 0 H GLN A 41 11.805 31.308 2.650 1.00 0.00 H new ATOM 0 HA GLN A 41 11.557 33.500 0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.137 33.013 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.188 34.544 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.765 34.855 2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.591 33.245 3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.754 32.788 5.612 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.977 34.126 6.743 1.00 0.00 H new ATOM 650 N ILE A 42 14.473 31.927 0.784 1.00 0.00 N ATOM 651 CA ILE A 42 15.681 31.677 -0.032 1.00 0.00 C ATOM 652 C ILE A 42 15.319 31.395 -1.495 1.00 0.00 C ATOM 653 O ILE A 42 15.845 32.056 -2.386 1.00 0.00 O ATOM 654 CB ILE A 42 16.517 30.534 0.618 1.00 0.00 C ATOM 655 CG1 ILE A 42 17.356 31.109 1.782 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.405 29.755 -0.374 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.073 30.045 2.627 1.00 0.00 C ATOM 0 H ILE A 42 14.389 31.288 1.574 1.00 0.00 H new ATOM 0 HA ILE A 42 16.300 32.574 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 42 15.805 29.799 0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.099 31.795 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 42 16.704 31.693 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.952 28.978 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.779 29.297 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.112 30.439 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.639 30.532 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.337 29.372 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 42 18.753 29.475 1.994 1.00 0.00 H new ATOM 669 N LEU A 43 14.400 30.458 -1.749 1.00 0.00 N ATOM 670 CA LEU A 43 13.989 30.046 -3.099 1.00 0.00 C ATOM 671 C LEU A 43 13.295 31.199 -3.840 1.00 0.00 C ATOM 672 O LEU A 43 13.674 31.539 -4.966 1.00 0.00 O ATOM 673 CB LEU A 43 13.095 28.794 -2.972 1.00 0.00 C ATOM 674 CG LEU A 43 13.871 27.530 -2.526 1.00 0.00 C ATOM 675 CD1 LEU A 43 12.932 26.502 -1.881 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.615 26.873 -3.700 1.00 0.00 C ATOM 0 H LEU A 43 13.911 29.954 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 43 14.861 29.791 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.299 28.995 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.617 28.599 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 43 14.605 27.858 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.505 25.626 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.455 26.944 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.168 26.205 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.147 25.990 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.898 26.581 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.329 27.581 -4.121 1.00 0.00 H new ATOM 688 N LYS A 44 12.343 31.865 -3.171 1.00 0.00 N ATOM 689 CA LYS A 44 11.688 33.071 -3.691 1.00 0.00 C ATOM 690 C LYS A 44 12.730 34.110 -4.130 1.00 0.00 C ATOM 691 O LYS A 44 12.735 34.505 -5.295 1.00 0.00 O ATOM 692 CB LYS A 44 10.701 33.625 -2.645 1.00 0.00 C ATOM 693 CG LYS A 44 9.884 34.800 -3.219 1.00 0.00 C ATOM 694 CD LYS A 44 8.788 35.301 -2.267 1.00 0.00 C ATOM 695 CE LYS A 44 9.306 35.965 -0.977 1.00 0.00 C ATOM 696 NZ LYS A 44 9.903 37.310 -1.216 1.00 0.00 N ATOM 0 H LYS A 44 12.006 31.581 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 44 11.111 32.816 -4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.026 32.832 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.249 33.956 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.559 35.624 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.426 34.490 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.162 36.016 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.150 34.460 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.484 36.059 -0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.053 35.318 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.234 37.708 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.706 37.222 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.186 37.939 -1.630 1.00 0.00 H new ATOM 710 N SER A 45 13.629 34.488 -3.211 1.00 0.00 N ATOM 711 CA SER A 45 14.636 35.553 -3.371 1.00 0.00 C ATOM 712 C SER A 45 15.737 35.219 -4.391 1.00 0.00 C ATOM 713 O SER A 45 16.213 36.116 -5.093 1.00 0.00 O ATOM 714 CB SER A 45 15.305 35.869 -2.021 1.00 0.00 C ATOM 715 OG SER A 45 14.358 36.179 -1.006 1.00 0.00 O ATOM 0 H SER A 45 13.679 34.042 -2.295 1.00 0.00 H new ATOM 0 HA SER A 45 14.087 36.415 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.904 35.014 -1.707 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.989 36.709 -2.145 1.00 0.00 H new ATOM 0 HG SER A 45 14.065 35.352 -0.568 1.00 0.00 H new ATOM 721 N LEU A 46 16.118 33.938 -4.512 1.00 0.00 N ATOM 722 CA LEU A 46 17.004 33.433 -5.568 1.00 0.00 C ATOM 723 C LEU A 46 16.395 33.675 -6.962 1.00 0.00 C ATOM 724 O LEU A 46 17.143 33.874 -7.922 1.00 0.00 O ATOM 725 CB LEU A 46 17.291 31.950 -5.265 1.00 0.00 C ATOM 726 CG LEU A 46 18.208 31.217 -6.258 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.547 31.932 -6.482 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.468 29.805 -5.712 1.00 0.00 C ATOM 0 H LEU A 46 15.812 33.211 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 46 17.952 33.971 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.738 31.884 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.340 31.419 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 46 17.705 31.190 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.148 31.365 -7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.364 32.931 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.081 32.009 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.117 29.263 -6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.950 29.875 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.522 29.274 -5.612 1.00 0.00 H new ATOM 740 N ASN A 47 15.056 33.680 -7.032 1.00 0.00 N ATOM 741 CA ASN A 47 14.161 34.093 -8.129 1.00 0.00 C ATOM 742 C ASN A 47 13.363 32.902 -8.665 1.00 0.00 C ATOM 743 O ASN A 47 13.604 32.428 -9.779 1.00 0.00 O ATOM 744 CB ASN A 47 14.830 34.940 -9.237 1.00 0.00 C ATOM 745 CG ASN A 47 13.822 35.578 -10.195 1.00 0.00 C ATOM 746 OD1 ASN A 47 12.613 35.566 -9.985 1.00 0.00 O ATOM 747 ND2 ASN A 47 14.296 36.172 -11.276 1.00 0.00 N ATOM 0 H ASN A 47 14.510 33.359 -6.232 1.00 0.00 H new ATOM 0 HA ASN A 47 13.451 34.792 -7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.429 35.724 -8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.514 34.309 -9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.657 36.619 -11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.301 36.183 -11.453 1.00 0.00 H new ATOM 754 N ALA A 48 12.417 32.403 -7.858 1.00 0.00 N ATOM 755 CA ALA A 48 11.595 31.244 -8.245 1.00 0.00 C ATOM 756 C ALA A 48 10.193 31.226 -7.590 1.00 0.00 C ATOM 757 O ALA A 48 10.092 31.512 -6.392 1.00 0.00 O ATOM 758 CB ALA A 48 12.369 29.953 -7.920 1.00 0.00 C ATOM 0 H ALA A 48 12.201 32.781 -6.936 1.00 0.00 H new ATOM 0 HA ALA A 48 11.410 31.319 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.769 29.088 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.307 29.941 -8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.580 29.914 -6.851 1.00 0.00 H new ATOM 764 N PRO A 49 9.131 30.848 -8.334 1.00 0.00 N ATOM 765 CA PRO A 49 7.811 30.595 -7.767 1.00 0.00 C ATOM 766 C PRO A 49 7.808 29.225 -7.075 1.00 0.00 C ATOM 767 O PRO A 49 8.048 28.194 -7.709 1.00 0.00 O ATOM 768 CB PRO A 49 6.842 30.657 -8.950 1.00 0.00 C ATOM 769 CG PRO A 49 7.686 30.183 -10.134 1.00 0.00 C ATOM 770 CD PRO A 49 9.100 30.649 -9.781 1.00 0.00 C ATOM 0 HA PRO A 49 7.522 31.321 -7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.976 30.014 -8.793 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.465 31.668 -9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.639 29.100 -10.251 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.342 30.621 -11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.838 29.907 -10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.344 31.574 -10.304 1.00 0.00 H new ATOM 778 N PHE A 50 7.539 29.223 -5.765 1.00 0.00 N ATOM 779 CA PHE A 50 7.478 28.014 -4.941 1.00 0.00 C ATOM 780 C PHE A 50 6.031 27.639 -4.573 1.00 0.00 C ATOM 781 O PHE A 50 5.152 28.496 -4.451 1.00 0.00 O ATOM 782 CB PHE A 50 8.366 28.180 -3.695 1.00 0.00 C ATOM 783 CG PHE A 50 7.786 29.062 -2.609 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.018 30.451 -2.628 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.003 28.495 -1.585 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.449 31.267 -1.636 1.00 0.00 C ATOM 787 CE2 PHE A 50 6.430 29.316 -0.600 1.00 0.00 C ATOM 788 CZ PHE A 50 6.644 30.705 -0.629 1.00 0.00 C ATOM 0 H PHE A 50 7.354 30.078 -5.240 1.00 0.00 H new ATOM 0 HA PHE A 50 7.866 27.181 -5.528 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.564 27.194 -3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.326 28.593 -4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.631 30.887 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.843 27.427 -1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.631 32.332 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.824 28.880 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.192 31.339 0.120 1.00 0.00 H new ATOM 798 N GLU A 51 5.808 26.341 -4.351 1.00 0.00 N ATOM 799 CA GLU A 51 4.567 25.775 -3.813 1.00 0.00 C ATOM 800 C GLU A 51 4.838 25.093 -2.466 1.00 0.00 C ATOM 801 O GLU A 51 5.982 24.917 -2.056 1.00 0.00 O ATOM 802 CB GLU A 51 3.972 24.770 -4.813 1.00 0.00 C ATOM 803 CG GLU A 51 3.503 25.407 -6.126 1.00 0.00 C ATOM 804 CD GLU A 51 2.398 26.463 -5.940 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.461 26.244 -5.136 1.00 0.00 O ATOM 806 OE2 GLU A 51 2.441 27.519 -6.612 1.00 0.00 O ATOM 0 H GLU A 51 6.512 25.629 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 51 3.849 26.579 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.719 24.008 -5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.129 24.262 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.357 25.870 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.137 24.624 -6.790 1.00 0.00 H new ATOM 813 N SER A 52 3.800 24.670 -1.752 1.00 0.00 N ATOM 814 CA SER A 52 3.936 23.883 -0.518 1.00 0.00 C ATOM 815 C SER A 52 2.747 22.922 -0.378 1.00 0.00 C ATOM 816 O SER A 52 1.633 23.346 -0.067 1.00 0.00 O ATOM 817 CB SER A 52 4.069 24.810 0.695 1.00 0.00 C ATOM 818 OG SER A 52 5.224 25.633 0.584 1.00 0.00 O ATOM 0 H SER A 52 2.832 24.862 -2.010 1.00 0.00 H new ATOM 0 HA SER A 52 4.845 23.284 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.180 25.435 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.128 24.215 1.607 1.00 0.00 H new ATOM 0 HG SER A 52 5.702 25.416 -0.243 1.00 0.00 H new ATOM 824 N VAL A 53 2.983 21.631 -0.643 1.00 0.00 N ATOM 825 CA VAL A 53 1.962 20.572 -0.614 1.00 0.00 C ATOM 826 C VAL A 53 1.774 20.100 0.829 1.00 0.00 C ATOM 827 O VAL A 53 2.744 19.727 1.490 1.00 0.00 O ATOM 828 CB VAL A 53 2.359 19.385 -1.521 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.360 18.216 -1.439 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.486 19.831 -2.987 1.00 0.00 C ATOM 0 H VAL A 53 3.910 21.284 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 53 1.024 20.976 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 53 3.324 19.035 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.688 17.410 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.311 17.851 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.373 18.558 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.766 18.977 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.531 20.229 -3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.251 20.603 -3.067 1.00 0.00 H new ATOM 840 N ASN A 54 0.519 20.091 1.289 1.00 0.00 N ATOM 841 CA ASN A 54 0.133 19.647 2.628 1.00 0.00 C ATOM 842 C ASN A 54 0.217 18.111 2.743 1.00 0.00 C ATOM 843 O ASN A 54 -0.732 17.399 2.406 1.00 0.00 O ATOM 844 CB ASN A 54 -1.282 20.154 2.956 1.00 0.00 C ATOM 845 CG ASN A 54 -1.396 21.673 2.897 1.00 0.00 C ATOM 846 OD1 ASN A 54 -1.872 22.242 1.921 1.00 0.00 O ATOM 847 ND2 ASN A 54 -0.973 22.373 3.933 1.00 0.00 N ATOM 0 H ASN A 54 -0.274 20.400 0.726 1.00 0.00 H new ATOM 0 HA ASN A 54 0.829 20.067 3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.992 19.714 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.563 19.812 3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.042 23.391 3.923 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.578 21.896 4.743 1.00 0.00 H new ATOM 854 N ILE A 55 1.354 17.592 3.218 1.00 0.00 N ATOM 855 CA ILE A 55 1.507 16.168 3.587 1.00 0.00 C ATOM 856 C ILE A 55 1.021 15.929 5.029 1.00 0.00 C ATOM 857 O ILE A 55 0.542 16.856 5.680 1.00 0.00 O ATOM 858 CB ILE A 55 2.948 15.650 3.317 1.00 0.00 C ATOM 859 CG1 ILE A 55 3.995 16.270 4.262 1.00 0.00 C ATOM 860 CG2 ILE A 55 3.323 15.891 1.842 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.380 15.628 4.161 1.00 0.00 C ATOM 0 H ILE A 55 2.200 18.143 3.360 1.00 0.00 H new ATOM 0 HA ILE A 55 0.866 15.569 2.940 1.00 0.00 H new ATOM 0 HB ILE A 55 2.953 14.579 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.082 17.334 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.639 16.184 5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.334 15.526 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.623 15.360 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.278 16.958 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.060 16.119 4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.309 14.569 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.759 15.738 3.145 1.00 0.00 H new ATOM 873 N LEU A 56 1.120 14.687 5.527 1.00 0.00 N ATOM 874 CA LEU A 56 0.858 14.265 6.921 1.00 0.00 C ATOM 875 C LEU A 56 -0.644 14.206 7.263 1.00 0.00 C ATOM 876 O LEU A 56 -1.083 13.278 7.940 1.00 0.00 O ATOM 877 CB LEU A 56 1.655 15.149 7.920 1.00 0.00 C ATOM 878 CG LEU A 56 2.534 14.401 8.942 1.00 0.00 C ATOM 879 CD1 LEU A 56 1.731 13.422 9.812 1.00 0.00 C ATOM 880 CD2 LEU A 56 3.701 13.680 8.248 1.00 0.00 C ATOM 0 H LEU A 56 1.400 13.902 4.939 1.00 0.00 H new ATOM 0 HA LEU A 56 1.215 13.240 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.293 15.822 7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.947 15.770 8.468 1.00 0.00 H new ATOM 0 HG LEU A 56 2.941 15.159 9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.401 12.924 10.513 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.968 13.969 10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.253 12.677 9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.303 13.161 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.308 12.958 7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.320 14.409 7.725 1.00 0.00 H new ATOM 892 N GLU A 57 -1.437 15.136 6.738 1.00 0.00 N ATOM 893 CA GLU A 57 -2.902 15.181 6.855 1.00 0.00 C ATOM 894 C GLU A 57 -3.613 14.042 6.092 1.00 0.00 C ATOM 895 O GLU A 57 -4.766 13.732 6.401 1.00 0.00 O ATOM 896 CB GLU A 57 -3.405 16.540 6.335 1.00 0.00 C ATOM 897 CG GLU A 57 -2.933 17.747 7.160 1.00 0.00 C ATOM 898 CD GLU A 57 -3.488 17.725 8.592 1.00 0.00 C ATOM 899 OE1 GLU A 57 -4.691 18.025 8.779 1.00 0.00 O ATOM 900 OE2 GLU A 57 -2.726 17.420 9.540 1.00 0.00 O ATOM 0 H GLU A 57 -1.066 15.915 6.195 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.144 15.048 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.073 16.667 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.495 16.529 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.844 17.757 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.245 18.667 6.666 1.00 0.00 H new ATOM 907 N ASN A 58 -2.946 13.413 5.110 1.00 0.00 N ATOM 908 CA ASN A 58 -3.483 12.314 4.293 1.00 0.00 C ATOM 909 C ASN A 58 -2.567 11.078 4.344 1.00 0.00 C ATOM 910 O ASN A 58 -1.351 11.198 4.189 1.00 0.00 O ATOM 911 CB ASN A 58 -3.662 12.803 2.844 1.00 0.00 C ATOM 912 CG ASN A 58 -4.659 13.958 2.733 1.00 0.00 C ATOM 913 OD1 ASN A 58 -4.285 15.124 2.653 1.00 0.00 O ATOM 914 ND2 ASN A 58 -5.951 13.671 2.726 1.00 0.00 N ATOM 0 H ASN A 58 -1.990 13.663 4.856 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.450 12.014 4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.697 13.122 2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.002 11.974 2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.639 14.420 2.654 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.258 12.701 2.793 1.00 0.00 H new ATOM 921 N GLU A 59 -3.146 9.884 4.520 1.00 0.00 N ATOM 922 CA GLU A 59 -2.412 8.635 4.792 1.00 0.00 C ATOM 923 C GLU A 59 -1.532 8.164 3.618 1.00 0.00 C ATOM 924 O GLU A 59 -0.488 7.551 3.840 1.00 0.00 O ATOM 925 CB GLU A 59 -3.431 7.559 5.215 1.00 0.00 C ATOM 926 CG GLU A 59 -2.781 6.296 5.794 1.00 0.00 C ATOM 927 CD GLU A 59 -3.847 5.327 6.324 1.00 0.00 C ATOM 928 OE1 GLU A 59 -4.346 4.484 5.539 1.00 0.00 O ATOM 929 OE2 GLU A 59 -4.190 5.393 7.529 1.00 0.00 O ATOM 0 H GLU A 59 -4.157 9.753 4.477 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.705 8.823 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.108 7.983 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.036 7.283 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.185 5.803 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.099 6.569 6.599 1.00 0.00 H new ATOM 936 N LEU A 60 -1.899 8.485 2.370 1.00 0.00 N ATOM 937 CA LEU A 60 -1.068 8.195 1.195 1.00 0.00 C ATOM 938 C LEU A 60 0.193 9.065 1.163 1.00 0.00 C ATOM 939 O LEU A 60 1.283 8.542 0.955 1.00 0.00 O ATOM 940 CB LEU A 60 -1.902 8.352 -0.094 1.00 0.00 C ATOM 941 CG LEU A 60 -3.071 7.355 -0.253 1.00 0.00 C ATOM 942 CD1 LEU A 60 -3.820 7.669 -1.557 1.00 0.00 C ATOM 943 CD2 LEU A 60 -2.589 5.897 -0.280 1.00 0.00 C ATOM 0 H LEU A 60 -2.778 8.952 2.147 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.730 7.161 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.304 9.365 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.237 8.246 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.729 7.467 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.648 6.970 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.207 8.687 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.137 7.573 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.446 5.233 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.906 5.755 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.072 5.667 0.652 1.00 0.00 H new ATOM 955 N LEU A 61 0.087 10.371 1.444 1.00 0.00 N ATOM 956 CA LEU A 61 1.238 11.290 1.462 1.00 0.00 C ATOM 957 C LEU A 61 2.232 10.995 2.604 1.00 0.00 C ATOM 958 O LEU A 61 3.414 11.299 2.457 1.00 0.00 O ATOM 959 CB LEU A 61 0.737 12.752 1.489 1.00 0.00 C ATOM 960 CG LEU A 61 0.128 13.238 0.154 1.00 0.00 C ATOM 961 CD1 LEU A 61 -0.540 14.606 0.346 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.187 13.362 -0.957 1.00 0.00 C ATOM 0 H LEU A 61 -0.800 10.823 1.666 1.00 0.00 H new ATOM 0 HA LEU A 61 1.805 11.129 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.011 12.853 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.569 13.404 1.755 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.606 12.491 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.966 14.939 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.332 14.523 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.202 15.329 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.712 13.706 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.951 14.078 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.649 12.390 -1.130 1.00 0.00 H new ATOM 974 N ARG A 62 1.794 10.337 3.692 1.00 0.00 N ATOM 975 CA ARG A 62 2.699 9.809 4.739 1.00 0.00 C ATOM 976 C ARG A 62 3.647 8.713 4.210 1.00 0.00 C ATOM 977 O ARG A 62 4.714 8.493 4.782 1.00 0.00 O ATOM 978 CB ARG A 62 1.898 9.220 5.916 1.00 0.00 C ATOM 979 CG ARG A 62 1.073 10.255 6.692 1.00 0.00 C ATOM 980 CD ARG A 62 0.308 9.586 7.843 1.00 0.00 C ATOM 981 NE ARG A 62 -0.591 10.546 8.503 1.00 0.00 N ATOM 982 CZ ARG A 62 -1.300 10.363 9.607 1.00 0.00 C ATOM 983 NH1 ARG A 62 -1.305 9.222 10.265 1.00 0.00 N ATOM 984 NH2 ARG A 62 -2.023 11.364 10.057 1.00 0.00 N ATOM 0 H ARG A 62 0.807 10.155 3.874 1.00 0.00 H new ATOM 0 HA ARG A 62 3.295 10.660 5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.228 8.448 5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.589 8.732 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.730 11.029 7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.371 10.746 6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.269 8.744 7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.014 9.184 8.569 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.679 11.460 8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.748 8.437 9.928 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.866 9.124 11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.028 12.254 9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.579 11.251 10.905 1.00 0.00 H new ATOM 998 N GLN A 63 3.251 7.998 3.149 1.00 0.00 N ATOM 999 CA GLN A 63 3.938 6.805 2.641 1.00 0.00 C ATOM 1000 C GLN A 63 4.625 7.060 1.290 1.00 0.00 C ATOM 1001 O GLN A 63 5.821 6.808 1.153 1.00 0.00 O ATOM 1002 CB GLN A 63 2.899 5.676 2.478 1.00 0.00 C ATOM 1003 CG GLN A 63 2.269 5.221 3.805 1.00 0.00 C ATOM 1004 CD GLN A 63 1.125 4.237 3.562 1.00 0.00 C ATOM 1005 OE1 GLN A 63 1.325 3.041 3.386 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -0.106 4.704 3.514 1.00 0.00 N ATOM 0 H GLN A 63 2.422 8.240 2.606 1.00 0.00 H new ATOM 0 HA GLN A 63 4.714 6.529 3.355 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.109 6.015 1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.377 4.821 2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.029 4.753 4.430 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.897 6.088 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.280 5.698 3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.885 4.071 3.331 1.00 0.00 H new ATOM 1015 N GLY A 64 3.885 7.575 0.301 1.00 0.00 N ATOM 1016 CA GLY A 64 4.339 7.658 -1.089 1.00 0.00 C ATOM 1017 C GLY A 64 5.365 8.746 -1.376 1.00 0.00 C ATOM 1018 O GLY A 64 6.240 8.520 -2.205 1.00 0.00 O ATOM 0 H GLY A 64 2.947 7.948 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.766 6.696 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.471 7.823 -1.728 1.00 0.00 H new ATOM 1022 N LEU A 65 5.307 9.903 -0.708 1.00 0.00 N ATOM 1023 CA LEU A 65 6.163 11.058 -1.029 1.00 0.00 C ATOM 1024 C LEU A 65 7.653 10.754 -0.789 1.00 0.00 C ATOM 1025 O LEU A 65 8.480 10.952 -1.678 1.00 0.00 O ATOM 1026 CB LEU A 65 5.617 12.279 -0.251 1.00 0.00 C ATOM 1027 CG LEU A 65 6.267 13.659 -0.508 1.00 0.00 C ATOM 1028 CD1 LEU A 65 7.473 13.910 0.405 1.00 0.00 C ATOM 1029 CD2 LEU A 65 6.637 13.896 -1.979 1.00 0.00 C ATOM 0 H LEU A 65 4.668 10.069 0.069 1.00 0.00 H new ATOM 0 HA LEU A 65 6.122 11.292 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.553 12.366 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.705 12.062 0.814 1.00 0.00 H new ATOM 0 HG LEU A 65 5.496 14.388 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.896 14.891 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.154 13.875 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.227 13.143 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.088 14.883 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.347 13.135 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.739 13.839 -2.594 1.00 0.00 H new ATOM 1041 N LYS A 66 7.995 10.183 0.370 1.00 0.00 N ATOM 1042 CA LYS A 66 9.379 9.787 0.690 1.00 0.00 C ATOM 1043 C LYS A 66 9.924 8.645 -0.196 1.00 0.00 C ATOM 1044 O LYS A 66 11.134 8.559 -0.421 1.00 0.00 O ATOM 1045 CB LYS A 66 9.493 9.474 2.194 1.00 0.00 C ATOM 1046 CG LYS A 66 8.565 8.362 2.711 1.00 0.00 C ATOM 1047 CD LYS A 66 8.787 8.144 4.213 1.00 0.00 C ATOM 1048 CE LYS A 66 7.846 7.048 4.738 1.00 0.00 C ATOM 1049 NZ LYS A 66 8.026 6.817 6.198 1.00 0.00 N ATOM 0 H LYS A 66 7.327 9.981 1.113 1.00 0.00 H new ATOM 0 HA LYS A 66 10.023 10.635 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.524 9.194 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.286 10.386 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.525 8.630 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.758 7.436 2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.824 7.862 4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.609 9.074 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.812 7.331 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.032 6.120 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.374 6.071 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.006 6.523 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.824 7.696 6.716 1.00 0.00 H new ATOM 1063 N GLU A 67 9.041 7.795 -0.737 1.00 0.00 N ATOM 1064 CA GLU A 67 9.396 6.739 -1.693 1.00 0.00 C ATOM 1065 C GLU A 67 9.556 7.282 -3.129 1.00 0.00 C ATOM 1066 O GLU A 67 10.422 6.814 -3.871 1.00 0.00 O ATOM 1067 CB GLU A 67 8.333 5.628 -1.677 1.00 0.00 C ATOM 1068 CG GLU A 67 8.289 4.841 -0.360 1.00 0.00 C ATOM 1069 CD GLU A 67 9.575 4.035 -0.127 1.00 0.00 C ATOM 1070 OE1 GLU A 67 9.751 2.976 -0.773 1.00 0.00 O ATOM 1071 OE2 GLU A 67 10.415 4.448 0.708 1.00 0.00 O ATOM 0 H GLU A 67 8.045 7.823 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 67 10.359 6.334 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.354 6.071 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.528 4.937 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.139 5.532 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.434 4.165 -0.370 1.00 0.00 H new ATOM 1078 N TYR A 68 8.757 8.281 -3.519 1.00 0.00 N ATOM 1079 CA TYR A 68 8.811 8.937 -4.832 1.00 0.00 C ATOM 1080 C TYR A 68 10.131 9.695 -5.051 1.00 0.00 C ATOM 1081 O TYR A 68 10.690 9.678 -6.150 1.00 0.00 O ATOM 1082 CB TYR A 68 7.612 9.892 -4.952 1.00 0.00 C ATOM 1083 CG TYR A 68 7.314 10.354 -6.364 1.00 0.00 C ATOM 1084 CD1 TYR A 68 6.593 9.502 -7.222 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.717 11.628 -6.815 1.00 0.00 C ATOM 1086 CE1 TYR A 68 6.269 9.914 -8.527 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.391 12.052 -8.117 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.665 11.193 -8.976 1.00 0.00 C ATOM 1089 OH TYR A 68 6.355 11.585 -10.240 1.00 0.00 O ATOM 0 H TYR A 68 8.033 8.667 -2.913 1.00 0.00 H new ATOM 0 HA TYR A 68 8.763 8.171 -5.606 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.728 9.396 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.797 10.767 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.287 8.526 -6.876 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.277 12.279 -6.160 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.720 9.255 -9.183 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.694 13.030 -8.460 1.00 0.00 H new ATOM 0 HH TYR A 68 6.697 12.490 -10.395 1.00 0.00 H new ATOM 1099 N SER A 69 10.649 10.334 -4.001 1.00 0.00 N ATOM 1100 CA SER A 69 11.980 10.946 -3.985 1.00 0.00 C ATOM 1101 C SER A 69 13.093 9.901 -3.778 1.00 0.00 C ATOM 1102 O SER A 69 13.870 9.646 -4.699 1.00 0.00 O ATOM 1103 CB SER A 69 12.012 12.014 -2.879 1.00 0.00 C ATOM 1104 OG SER A 69 11.596 11.489 -1.628 1.00 0.00 O ATOM 0 H SER A 69 10.146 10.443 -3.120 1.00 0.00 H new ATOM 0 HA SER A 69 12.170 11.408 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.022 12.413 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.365 12.846 -3.158 1.00 0.00 H new ATOM 0 HG SER A 69 11.528 12.216 -0.974 1.00 0.00 H new ATOM 1110 N SER A 70 13.140 9.315 -2.576 1.00 0.00 N ATOM 1111 CA SER A 70 14.132 8.430 -1.916 1.00 0.00 C ATOM 1112 C SER A 70 14.593 9.026 -0.565 1.00 0.00 C ATOM 1113 O SER A 70 15.161 8.317 0.270 1.00 0.00 O ATOM 1114 CB SER A 70 15.392 8.105 -2.749 1.00 0.00 C ATOM 1115 OG SER A 70 15.071 7.441 -3.958 1.00 0.00 O ATOM 0 H SER A 70 12.361 9.472 -1.937 1.00 0.00 H new ATOM 0 HA SER A 70 13.591 7.493 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.927 9.028 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.065 7.482 -2.160 1.00 0.00 H new ATOM 0 HG SER A 70 14.764 8.096 -4.619 1.00 0.00 H new ATOM 1121 N TRP A 71 14.360 10.327 -0.338 1.00 0.00 N ATOM 1122 CA TRP A 71 14.725 11.056 0.880 1.00 0.00 C ATOM 1123 C TRP A 71 13.902 10.575 2.098 1.00 0.00 C ATOM 1124 O TRP A 71 12.668 10.659 2.056 1.00 0.00 O ATOM 1125 CB TRP A 71 14.524 12.558 0.620 1.00 0.00 C ATOM 1126 CG TRP A 71 14.552 13.458 1.819 1.00 0.00 C ATOM 1127 CD1 TRP A 71 13.463 14.035 2.370 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.683 13.887 2.642 1.00 0.00 C ATOM 1129 NE1 TRP A 71 13.833 14.809 3.450 1.00 0.00 N ATOM 1130 CE2 TRP A 71 15.187 14.722 3.689 1.00 0.00 C ATOM 1131 CE3 TRP A 71 17.073 13.639 2.625 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 16.020 15.265 4.679 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 17.920 14.181 3.611 1.00 0.00 C ATOM 1134 CH2 TRP A 71 17.396 14.986 4.639 1.00 0.00 C ATOM 0 H TRP A 71 13.895 10.920 -1.025 1.00 0.00 H new ATOM 0 HA TRP A 71 15.770 10.863 1.124 1.00 0.00 H new ATOM 0 HB2 TRP A 71 15.297 12.890 -0.073 1.00 0.00 H new ATOM 0 HB3 TRP A 71 13.566 12.691 0.117 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.450 13.909 2.017 1.00 0.00 H new ATOM 0 HE1 TRP A 71 13.187 15.374 4.001 1.00 0.00 H new ATOM 0 HE3 TRP A 71 17.493 13.024 1.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 15.609 15.888 5.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 18.980 13.977 3.578 1.00 0.00 H new ATOM 0 HH2 TRP A 71 18.051 15.389 5.397 1.00 0.00 H new ATOM 1145 N PRO A 72 14.545 10.088 3.182 1.00 0.00 N ATOM 1146 CA PRO A 72 13.859 9.729 4.417 1.00 0.00 C ATOM 1147 C PRO A 72 13.555 10.985 5.245 1.00 0.00 C ATOM 1148 O PRO A 72 14.361 11.916 5.274 1.00 0.00 O ATOM 1149 CB PRO A 72 14.820 8.801 5.162 1.00 0.00 C ATOM 1150 CG PRO A 72 16.199 9.307 4.736 1.00 0.00 C ATOM 1151 CD PRO A 72 15.971 9.808 3.306 1.00 0.00 C ATOM 0 HA PRO A 72 12.902 9.243 4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.684 8.864 6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.670 7.758 4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.553 10.105 5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.945 8.513 4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.560 10.705 3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 72 16.283 9.058 2.579 1.00 0.00 H new ATOM 1159 N THR A 73 12.408 10.967 5.946 1.00 0.00 N ATOM 1160 CA THR A 73 11.929 11.993 6.894 1.00 0.00 C ATOM 1161 C THR A 73 11.285 13.195 6.186 1.00 0.00 C ATOM 1162 O THR A 73 11.424 13.381 4.976 1.00 0.00 O ATOM 1163 CB THR A 73 13.025 12.381 7.919 1.00 0.00 C ATOM 1164 OG1 THR A 73 12.458 12.293 9.206 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.650 13.776 7.779 1.00 0.00 C ATOM 0 H THR A 73 11.751 10.191 5.863 1.00 0.00 H new ATOM 0 HA THR A 73 11.122 11.548 7.476 1.00 0.00 H new ATOM 0 HB THR A 73 13.844 11.686 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.131 12.532 9.877 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.400 13.918 8.557 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.120 13.867 6.800 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.874 14.534 7.881 1.00 0.00 H new ATOM 1173 N PHE A 74 10.566 14.013 6.960 1.00 0.00 N ATOM 1174 CA PHE A 74 9.918 15.254 6.519 1.00 0.00 C ATOM 1175 C PHE A 74 10.455 16.461 7.322 1.00 0.00 C ATOM 1176 O PHE A 74 10.817 16.284 8.493 1.00 0.00 O ATOM 1177 CB PHE A 74 8.396 15.095 6.683 1.00 0.00 C ATOM 1178 CG PHE A 74 7.791 13.872 6.005 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.062 13.590 4.649 1.00 0.00 C ATOM 1180 CD2 PHE A 74 6.946 13.009 6.732 1.00 0.00 C ATOM 1181 CE1 PHE A 74 7.502 12.453 4.038 1.00 0.00 C ATOM 1182 CE2 PHE A 74 6.375 11.881 6.115 1.00 0.00 C ATOM 1183 CZ PHE A 74 6.653 11.602 4.766 1.00 0.00 C ATOM 0 H PHE A 74 10.413 13.822 7.950 1.00 0.00 H new ATOM 0 HA PHE A 74 10.145 15.444 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.165 15.051 7.747 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.910 15.987 6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.701 14.248 4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.735 13.215 7.771 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.726 12.233 3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 74 5.723 11.230 6.678 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.216 10.737 4.290 1.00 0.00 H new ATOM 1193 N PRO A 75 10.500 17.687 6.755 1.00 0.00 N ATOM 1194 CA PRO A 75 10.005 18.100 5.436 1.00 0.00 C ATOM 1195 C PRO A 75 10.951 17.709 4.284 1.00 0.00 C ATOM 1196 O PRO A 75 11.988 17.081 4.497 1.00 0.00 O ATOM 1197 CB PRO A 75 9.856 19.626 5.560 1.00 0.00 C ATOM 1198 CG PRO A 75 11.017 20.003 6.475 1.00 0.00 C ATOM 1199 CD PRO A 75 11.018 18.848 7.472 1.00 0.00 C ATOM 0 HA PRO A 75 9.070 17.600 5.183 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.927 20.120 4.591 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.894 19.905 5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.959 20.074 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.857 20.964 6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.024 18.657 7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.396 19.080 8.337 1.00 0.00 H new ATOM 1207 N GLN A 76 10.586 18.101 3.058 1.00 0.00 N ATOM 1208 CA GLN A 76 11.342 17.825 1.833 1.00 0.00 C ATOM 1209 C GLN A 76 11.154 18.948 0.799 1.00 0.00 C ATOM 1210 O GLN A 76 10.045 19.446 0.606 1.00 0.00 O ATOM 1211 CB GLN A 76 10.865 16.478 1.263 1.00 0.00 C ATOM 1212 CG GLN A 76 11.603 16.014 -0.007 1.00 0.00 C ATOM 1213 CD GLN A 76 10.912 14.798 -0.614 1.00 0.00 C ATOM 1214 OE1 GLN A 76 11.178 13.659 -0.266 1.00 0.00 O ATOM 1215 NE2 GLN A 76 9.985 14.977 -1.534 1.00 0.00 N ATOM 0 H GLN A 76 9.733 18.634 2.887 1.00 0.00 H new ATOM 0 HA GLN A 76 12.406 17.777 2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.979 15.714 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.800 16.550 1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.630 16.825 -0.735 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.637 15.768 0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.746 15.920 -1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.507 14.172 -1.939 1.00 0.00 H new ATOM 1224 N LEU A 77 12.235 19.301 0.093 1.00 0.00 N ATOM 1225 CA LEU A 77 12.239 20.179 -1.080 1.00 0.00 C ATOM 1226 C LEU A 77 12.389 19.345 -2.363 1.00 0.00 C ATOM 1227 O LEU A 77 13.159 18.386 -2.409 1.00 0.00 O ATOM 1228 CB LEU A 77 13.374 21.210 -0.914 1.00 0.00 C ATOM 1229 CG LEU A 77 13.575 22.189 -2.094 1.00 0.00 C ATOM 1230 CD1 LEU A 77 12.349 23.070 -2.333 1.00 0.00 C ATOM 1231 CD2 LEU A 77 14.787 23.077 -1.818 1.00 0.00 C ATOM 0 H LEU A 77 13.168 18.968 0.335 1.00 0.00 H new ATOM 0 HA LEU A 77 11.295 20.717 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.181 21.792 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.307 20.671 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 77 13.733 21.591 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.540 23.740 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.488 22.441 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.144 23.658 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.929 23.767 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.622 23.643 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.676 22.456 -1.706 1.00 0.00 H new ATOM 1243 N TYR A 78 11.672 19.742 -3.415 1.00 0.00 N ATOM 1244 CA TYR A 78 11.639 19.095 -4.731 1.00 0.00 C ATOM 1245 C TYR A 78 11.604 20.157 -5.843 1.00 0.00 C ATOM 1246 O TYR A 78 10.966 21.205 -5.679 1.00 0.00 O ATOM 1247 CB TYR A 78 10.396 18.191 -4.782 1.00 0.00 C ATOM 1248 CG TYR A 78 10.500 16.971 -5.673 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.392 17.094 -7.070 1.00 0.00 C ATOM 1250 CD2 TYR A 78 10.666 15.698 -5.096 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.482 15.950 -7.883 1.00 0.00 C ATOM 1252 CE2 TYR A 78 10.731 14.547 -5.904 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.657 14.672 -7.306 1.00 0.00 C ATOM 1254 OH TYR A 78 10.764 13.562 -8.089 1.00 0.00 O ATOM 0 H TYR A 78 11.069 20.563 -3.372 1.00 0.00 H new ATOM 0 HA TYR A 78 12.534 18.493 -4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.171 17.858 -3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.549 18.790 -5.116 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.240 18.065 -7.517 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.744 15.603 -4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.417 16.049 -8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.837 13.572 -5.451 1.00 0.00 H new ATOM 0 HH TYR A 78 11.213 13.796 -8.928 1.00 0.00 H new ATOM 1264 N ILE A 79 12.282 19.922 -6.971 1.00 0.00 N ATOM 1265 CA ILE A 79 12.417 20.904 -8.063 1.00 0.00 C ATOM 1266 C ILE A 79 12.307 20.215 -9.437 1.00 0.00 C ATOM 1267 O ILE A 79 13.139 19.377 -9.781 1.00 0.00 O ATOM 1268 CB ILE A 79 13.739 21.715 -7.944 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.029 22.229 -6.510 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.658 22.900 -8.925 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.321 23.042 -6.357 1.00 0.00 C ATOM 0 H ILE A 79 12.758 19.039 -7.158 1.00 0.00 H new ATOM 0 HA ILE A 79 11.594 21.613 -7.974 1.00 0.00 H new ATOM 0 HB ILE A 79 14.565 21.046 -8.188 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.190 22.845 -6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.075 21.373 -5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.574 23.487 -8.863 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.537 22.524 -9.941 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.806 23.529 -8.667 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.433 23.355 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.174 22.427 -6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.275 23.922 -6.999 1.00 0.00 H new ATOM 1283 N ASP A 80 11.265 20.578 -10.199 1.00 0.00 N ATOM 1284 CA ASP A 80 10.974 20.283 -11.621 1.00 0.00 C ATOM 1285 C ASP A 80 10.820 18.800 -12.041 1.00 0.00 C ATOM 1286 O ASP A 80 10.162 18.502 -13.040 1.00 0.00 O ATOM 1287 CB ASP A 80 12.023 20.988 -12.501 1.00 0.00 C ATOM 1288 CG ASP A 80 11.620 21.000 -13.986 1.00 0.00 C ATOM 1289 OD1 ASP A 80 10.594 21.645 -14.317 1.00 0.00 O ATOM 1290 OD2 ASP A 80 12.339 20.390 -14.813 1.00 0.00 O ATOM 0 H ASP A 80 10.521 21.148 -9.796 1.00 0.00 H new ATOM 0 HA ASP A 80 9.967 20.672 -11.773 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.157 22.013 -12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.984 20.486 -12.391 1.00 0.00 H new ATOM 1295 N GLY A 81 11.423 17.872 -11.297 1.00 0.00 N ATOM 1296 CA GLY A 81 11.551 16.455 -11.640 1.00 0.00 C ATOM 1297 C GLY A 81 12.415 15.639 -10.675 1.00 0.00 C ATOM 1298 O GLY A 81 12.298 14.413 -10.670 1.00 0.00 O ATOM 0 H GLY A 81 11.854 18.097 -10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.555 16.013 -11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.974 16.374 -12.642 1.00 0.00 H new ATOM 1302 N GLU A 82 13.229 16.285 -9.830 1.00 0.00 N ATOM 1303 CA GLU A 82 14.088 15.637 -8.839 1.00 0.00 C ATOM 1304 C GLU A 82 13.942 16.244 -7.433 1.00 0.00 C ATOM 1305 O GLU A 82 13.614 17.424 -7.271 1.00 0.00 O ATOM 1306 CB GLU A 82 15.540 15.711 -9.334 1.00 0.00 C ATOM 1307 CG GLU A 82 16.175 17.108 -9.294 1.00 0.00 C ATOM 1308 CD GLU A 82 17.562 17.080 -9.951 1.00 0.00 C ATOM 1309 OE1 GLU A 82 18.557 16.754 -9.261 1.00 0.00 O ATOM 1310 OE2 GLU A 82 17.669 17.371 -11.167 1.00 0.00 O ATOM 0 H GLU A 82 13.308 17.302 -9.819 1.00 0.00 H new ATOM 0 HA GLU A 82 13.779 14.597 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.147 15.036 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.577 15.342 -10.359 1.00 0.00 H new ATOM 0 HG2 GLU A 82 15.534 17.822 -9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.261 17.447 -8.262 1.00 0.00 H new ATOM 1317 N PHE A 83 14.216 15.440 -6.403 1.00 0.00 N ATOM 1318 CA PHE A 83 14.248 15.908 -5.016 1.00 0.00 C ATOM 1319 C PHE A 83 15.585 16.592 -4.682 1.00 0.00 C ATOM 1320 O PHE A 83 16.637 16.228 -5.216 1.00 0.00 O ATOM 1321 CB PHE A 83 13.917 14.761 -4.048 1.00 0.00 C ATOM 1322 CG PHE A 83 15.062 13.819 -3.721 1.00 0.00 C ATOM 1323 CD1 PHE A 83 15.348 12.717 -4.553 1.00 0.00 C ATOM 1324 CD2 PHE A 83 15.825 14.030 -2.558 1.00 0.00 C ATOM 1325 CE1 PHE A 83 16.393 11.836 -4.217 1.00 0.00 C ATOM 1326 CE2 PHE A 83 16.870 13.153 -2.227 1.00 0.00 C ATOM 1327 CZ PHE A 83 17.151 12.051 -3.053 1.00 0.00 C ATOM 0 H PHE A 83 14.422 14.446 -6.507 1.00 0.00 H new ATOM 0 HA PHE A 83 13.476 16.667 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.549 15.192 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.101 14.176 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.766 12.549 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.606 14.871 -1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 83 16.613 10.993 -4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.458 13.325 -1.338 1.00 0.00 H new ATOM 0 HZ PHE A 83 17.948 11.370 -2.794 1.00 0.00 H new ATOM 1337 N PHE A 84 15.541 17.568 -3.770 1.00 0.00 N ATOM 1338 CA PHE A 84 16.723 18.276 -3.270 1.00 0.00 C ATOM 1339 C PHE A 84 17.186 17.746 -1.898 1.00 0.00 C ATOM 1340 O PHE A 84 18.389 17.676 -1.638 1.00 0.00 O ATOM 1341 CB PHE A 84 16.395 19.775 -3.204 1.00 0.00 C ATOM 1342 CG PHE A 84 17.635 20.643 -3.193 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.308 20.917 -1.987 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.155 21.125 -4.410 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.507 21.646 -2.002 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.348 21.863 -4.423 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.030 22.115 -3.220 1.00 0.00 C ATOM 0 H PHE A 84 14.669 17.893 -3.352 1.00 0.00 H new ATOM 0 HA PHE A 84 17.554 18.104 -3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.775 20.045 -4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 84 15.808 19.975 -2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.901 20.566 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.634 20.926 -5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.028 21.847 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.742 22.237 -5.356 1.00 0.00 H new ATOM 0 HZ PHE A 84 20.957 22.669 -3.231 1.00 0.00 H new ATOM 1357 N GLY A 85 16.233 17.349 -1.038 1.00 0.00 N ATOM 1358 CA GLY A 85 16.469 16.848 0.325 1.00 0.00 C ATOM 1359 C GLY A 85 15.773 17.710 1.379 1.00 0.00 C ATOM 1360 O GLY A 85 14.686 18.231 1.131 1.00 0.00 O ATOM 0 H GLY A 85 15.243 17.369 -1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.110 15.821 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.541 16.827 0.523 1.00 0.00 H new ATOM 1364 N GLY A 86 16.382 17.839 2.560 1.00 0.00 N ATOM 1365 CA GLY A 86 15.831 18.589 3.699 1.00 0.00 C ATOM 1366 C GLY A 86 16.048 20.103 3.618 1.00 0.00 C ATOM 1367 O GLY A 86 16.879 20.603 2.855 1.00 0.00 O ATOM 0 H GLY A 86 17.290 17.418 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.762 18.390 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.284 18.217 4.618 1.00 0.00 H new ATOM 1371 N CYS A 87 15.325 20.850 4.456 1.00 0.00 N ATOM 1372 CA CYS A 87 15.427 22.312 4.514 1.00 0.00 C ATOM 1373 C CYS A 87 16.786 22.781 5.075 1.00 0.00 C ATOM 1374 O CYS A 87 17.412 23.669 4.501 1.00 0.00 O ATOM 1375 CB CYS A 87 14.223 22.859 5.302 1.00 0.00 C ATOM 1376 SG CYS A 87 12.696 22.530 4.368 1.00 0.00 S ATOM 0 H CYS A 87 14.651 20.459 5.114 1.00 0.00 H new ATOM 0 HA CYS A 87 15.392 22.720 3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 87 14.171 22.388 6.284 1.00 0.00 H new ATOM 0 HB3 CYS A 87 14.338 23.930 5.468 1.00 0.00 H new ATOM 0 HG CYS A 87 12.331 23.608 3.739 1.00 0.00 H new ATOM 1382 N ASP A 88 17.305 22.133 6.119 1.00 0.00 N ATOM 1383 CA ASP A 88 18.651 22.408 6.651 1.00 0.00 C ATOM 1384 C ASP A 88 19.744 22.162 5.589 1.00 0.00 C ATOM 1385 O ASP A 88 20.624 23.000 5.398 1.00 0.00 O ATOM 1386 CB ASP A 88 18.881 21.548 7.900 1.00 0.00 C ATOM 1387 CG ASP A 88 20.308 21.711 8.456 1.00 0.00 C ATOM 1388 OD1 ASP A 88 20.642 22.809 8.960 1.00 0.00 O ATOM 1389 OD2 ASP A 88 21.088 20.730 8.395 1.00 0.00 O ATOM 0 H ASP A 88 16.807 21.400 6.624 1.00 0.00 H new ATOM 0 HA ASP A 88 18.716 23.461 6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 88 18.159 21.824 8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 88 18.704 20.500 7.657 1.00 0.00 H new ATOM 1394 N ILE A 89 19.627 21.068 4.822 1.00 0.00 N ATOM 1395 CA ILE A 89 20.509 20.788 3.671 1.00 0.00 C ATOM 1396 C ILE A 89 20.395 21.909 2.626 1.00 0.00 C ATOM 1397 O ILE A 89 21.416 22.358 2.108 1.00 0.00 O ATOM 1398 CB ILE A 89 20.221 19.385 3.069 1.00 0.00 C ATOM 1399 CG1 ILE A 89 20.540 18.290 4.117 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.029 19.155 1.774 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.272 16.856 3.648 1.00 0.00 C ATOM 0 H ILE A 89 18.919 20.350 4.979 1.00 0.00 H new ATOM 0 HA ILE A 89 21.542 20.769 4.018 1.00 0.00 H new ATOM 0 HB ILE A 89 19.164 19.331 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 89 21.589 18.374 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 89 19.949 18.481 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 89 20.806 18.165 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 89 20.758 19.911 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.094 19.227 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 89 20.524 16.159 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.218 16.748 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 89 20.883 16.640 2.772 1.00 0.00 H new ATOM 1413 N THR A 90 19.182 22.419 2.372 1.00 0.00 N ATOM 1414 CA THR A 90 18.936 23.552 1.460 1.00 0.00 C ATOM 1415 C THR A 90 19.589 24.835 1.964 1.00 0.00 C ATOM 1416 O THR A 90 20.218 25.528 1.170 1.00 0.00 O ATOM 1417 CB THR A 90 17.439 23.762 1.212 1.00 0.00 C ATOM 1418 OG1 THR A 90 16.862 22.561 0.752 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.208 24.841 0.150 1.00 0.00 C ATOM 0 H THR A 90 18.331 22.053 2.798 1.00 0.00 H new ATOM 0 HA THR A 90 19.399 23.297 0.507 1.00 0.00 H new ATOM 0 HB THR A 90 16.982 24.074 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.857 21.902 1.477 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.138 24.972 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.643 25.782 0.487 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.679 24.538 -0.785 1.00 0.00 H new ATOM 1427 N VAL A 91 19.497 25.140 3.261 1.00 0.00 N ATOM 1428 CA VAL A 91 20.193 26.296 3.861 1.00 0.00 C ATOM 1429 C VAL A 91 21.718 26.183 3.667 1.00 0.00 C ATOM 1430 O VAL A 91 22.341 27.151 3.235 1.00 0.00 O ATOM 1431 CB VAL A 91 19.830 26.490 5.354 1.00 0.00 C ATOM 1432 CG1 VAL A 91 20.686 27.576 6.033 1.00 0.00 C ATOM 1433 CG2 VAL A 91 18.354 26.893 5.504 1.00 0.00 C ATOM 0 H VAL A 91 18.943 24.600 3.926 1.00 0.00 H new ATOM 0 HA VAL A 91 19.848 27.186 3.335 1.00 0.00 H new ATOM 0 HB VAL A 91 20.023 25.533 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 91 20.391 27.672 7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.738 27.297 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.535 28.528 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.118 27.025 6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.176 27.828 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 91 17.719 26.112 5.085 1.00 0.00 H new ATOM 1443 N GLU A 92 22.315 25.013 3.926 1.00 0.00 N ATOM 1444 CA GLU A 92 23.751 24.777 3.712 1.00 0.00 C ATOM 1445 C GLU A 92 24.142 24.823 2.219 1.00 0.00 C ATOM 1446 O GLU A 92 25.201 25.352 1.866 1.00 0.00 O ATOM 1447 CB GLU A 92 24.160 23.426 4.325 1.00 0.00 C ATOM 1448 CG GLU A 92 24.097 23.407 5.861 1.00 0.00 C ATOM 1449 CD GLU A 92 25.137 24.340 6.498 1.00 0.00 C ATOM 1450 OE1 GLU A 92 26.342 23.991 6.511 1.00 0.00 O ATOM 1451 OE2 GLU A 92 24.759 25.425 7.003 1.00 0.00 O ATOM 0 H GLU A 92 21.816 24.201 4.290 1.00 0.00 H new ATOM 0 HA GLU A 92 24.288 25.585 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 92 23.508 22.645 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.174 23.184 4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 92 23.099 23.703 6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.259 22.389 6.217 1.00 0.00 H new ATOM 1458 N ALA A 93 23.287 24.318 1.324 1.00 0.00 N ATOM 1459 CA ALA A 93 23.479 24.388 -0.121 1.00 0.00 C ATOM 1460 C ALA A 93 23.457 25.835 -0.634 1.00 0.00 C ATOM 1461 O ALA A 93 24.278 26.193 -1.474 1.00 0.00 O ATOM 1462 CB ALA A 93 22.404 23.534 -0.797 1.00 0.00 C ATOM 0 H ALA A 93 22.427 23.841 1.593 1.00 0.00 H new ATOM 0 HA ALA A 93 24.465 23.997 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.533 23.575 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 93 22.494 22.501 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.417 23.916 -0.535 1.00 0.00 H new ATOM 1468 N TYR A 94 22.568 26.685 -0.116 1.00 0.00 N ATOM 1469 CA TYR A 94 22.525 28.113 -0.447 1.00 0.00 C ATOM 1470 C TYR A 94 23.751 28.883 0.076 1.00 0.00 C ATOM 1471 O TYR A 94 24.306 29.730 -0.627 1.00 0.00 O ATOM 1472 CB TYR A 94 21.219 28.703 0.095 1.00 0.00 C ATOM 1473 CG TYR A 94 20.991 30.153 -0.297 1.00 0.00 C ATOM 1474 CD1 TYR A 94 20.772 30.491 -1.646 1.00 0.00 C ATOM 1475 CD2 TYR A 94 20.999 31.164 0.684 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.539 31.830 -2.015 1.00 0.00 C ATOM 1477 CE2 TYR A 94 20.768 32.507 0.325 1.00 0.00 C ATOM 1478 CZ TYR A 94 20.533 32.843 -1.028 1.00 0.00 C ATOM 1479 OH TYR A 94 20.306 34.136 -1.388 1.00 0.00 O ATOM 0 H TYR A 94 21.851 26.400 0.551 1.00 0.00 H new ATOM 0 HA TYR A 94 22.556 28.217 -1.532 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.383 28.103 -0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.220 28.626 1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.783 29.720 -2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 94 21.183 30.908 1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.365 32.083 -3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 94 20.770 33.278 1.082 1.00 0.00 H new ATOM 0 HH TYR A 94 20.334 34.707 -0.592 1.00 0.00 H new ATOM 1489 N LYS A 95 24.227 28.551 1.282 1.00 0.00 N ATOM 1490 CA LYS A 95 25.444 29.130 1.874 1.00 0.00 C ATOM 1491 C LYS A 95 26.725 28.724 1.115 1.00 0.00 C ATOM 1492 O LYS A 95 27.668 29.513 1.027 1.00 0.00 O ATOM 1493 CB LYS A 95 25.527 28.706 3.353 1.00 0.00 C ATOM 1494 CG LYS A 95 24.492 29.436 4.230 1.00 0.00 C ATOM 1495 CD LYS A 95 24.318 28.772 5.602 1.00 0.00 C ATOM 1496 CE LYS A 95 25.603 28.802 6.439 1.00 0.00 C ATOM 1497 NZ LYS A 95 25.442 28.049 7.709 1.00 0.00 N ATOM 0 H LYS A 95 23.773 27.864 1.884 1.00 0.00 H new ATOM 0 HA LYS A 95 25.377 30.215 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 95 25.370 27.630 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 95 26.529 28.910 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 95 24.802 30.472 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 95 23.532 29.456 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 95 23.521 29.278 6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 95 24.003 27.738 5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 95 26.424 28.375 5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 95 25.871 29.835 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 26.339 28.060 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 24.698 28.493 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 25.177 27.066 7.498 1.00 0.00 H new ATOM 1511 N SER A 96 26.763 27.515 0.549 1.00 0.00 N ATOM 1512 CA SER A 96 27.911 26.978 -0.204 1.00 0.00 C ATOM 1513 C SER A 96 27.852 27.221 -1.730 1.00 0.00 C ATOM 1514 O SER A 96 28.853 27.001 -2.421 1.00 0.00 O ATOM 1515 CB SER A 96 28.072 25.477 0.104 1.00 0.00 C ATOM 1516 OG SER A 96 26.881 24.739 -0.121 1.00 0.00 O ATOM 0 H SER A 96 25.980 26.863 0.600 1.00 0.00 H new ATOM 0 HA SER A 96 28.785 27.534 0.135 1.00 0.00 H new ATOM 0 HB2 SER A 96 28.870 25.067 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.379 25.355 1.143 1.00 0.00 H new ATOM 0 HG SER A 96 26.235 24.935 0.590 1.00 0.00 H new ATOM 1522 N GLY A 97 26.717 27.693 -2.271 1.00 0.00 N ATOM 1523 CA GLY A 97 26.526 28.007 -3.701 1.00 0.00 C ATOM 1524 C GLY A 97 25.906 26.868 -4.526 1.00 0.00 C ATOM 1525 O GLY A 97 25.630 27.037 -5.717 1.00 0.00 O ATOM 0 H GLY A 97 25.883 27.872 -1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.889 28.888 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.491 28.269 -4.135 1.00 0.00 H new ATOM 1529 N GLU A 98 25.668 25.713 -3.903 1.00 0.00 N ATOM 1530 CA GLU A 98 25.178 24.489 -4.542 1.00 0.00 C ATOM 1531 C GLU A 98 23.698 24.588 -4.945 1.00 0.00 C ATOM 1532 O GLU A 98 23.306 24.024 -5.970 1.00 0.00 O ATOM 1533 CB GLU A 98 25.377 23.299 -3.588 1.00 0.00 C ATOM 1534 CG GLU A 98 26.838 23.029 -3.196 1.00 0.00 C ATOM 1535 CD GLU A 98 27.685 22.574 -4.393 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.562 21.398 -4.813 1.00 0.00 O ATOM 1537 OE2 GLU A 98 28.497 23.380 -4.908 1.00 0.00 O ATOM 0 H GLU A 98 25.817 25.599 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 98 25.753 24.344 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.799 23.477 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 98 24.969 22.403 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.271 23.934 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 98 26.869 22.264 -2.420 1.00 0.00 H new ATOM 1544 N LEU A 99 22.868 25.314 -4.179 1.00 0.00 N ATOM 1545 CA LEU A 99 21.463 25.546 -4.542 1.00 0.00 C ATOM 1546 C LEU A 99 21.377 26.430 -5.787 1.00 0.00 C ATOM 1547 O LEU A 99 20.661 26.094 -6.728 1.00 0.00 O ATOM 1548 CB LEU A 99 20.699 26.156 -3.347 1.00 0.00 C ATOM 1549 CG LEU A 99 19.204 26.441 -3.631 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.407 25.159 -3.896 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.586 27.190 -2.446 1.00 0.00 C ATOM 0 H LEU A 99 23.148 25.751 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 99 20.990 24.594 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 99 20.773 25.477 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.186 27.086 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 99 19.155 27.052 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.365 25.412 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.823 24.645 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.466 24.507 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.534 27.389 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 99 18.673 26.581 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.111 28.134 -2.298 1.00 0.00 H new ATOM 1563 N GLN A 100 22.132 27.529 -5.814 1.00 0.00 N ATOM 1564 CA GLN A 100 22.163 28.491 -6.916 1.00 0.00 C ATOM 1565 C GLN A 100 22.525 27.790 -8.229 1.00 0.00 C ATOM 1566 O GLN A 100 21.782 27.920 -9.203 1.00 0.00 O ATOM 1567 CB GLN A 100 23.153 29.635 -6.610 1.00 0.00 C ATOM 1568 CG GLN A 100 22.787 30.513 -5.393 1.00 0.00 C ATOM 1569 CD GLN A 100 23.354 30.029 -4.056 1.00 0.00 C ATOM 1570 OE1 GLN A 100 23.340 28.851 -3.733 1.00 0.00 O ATOM 1571 NE2 GLN A 100 23.865 30.905 -3.220 1.00 0.00 N ATOM 0 H GLN A 100 22.756 27.781 -5.048 1.00 0.00 H new ATOM 0 HA GLN A 100 21.169 28.925 -7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 100 24.141 29.205 -6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 100 23.228 30.274 -7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.141 31.528 -5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 100 21.701 30.564 -5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 100 23.887 31.894 -3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.239 30.596 -2.323 1.00 0.00 H new ATOM 1580 N GLU A 101 23.589 26.974 -8.230 1.00 0.00 N ATOM 1581 CA GLU A 101 24.000 26.212 -9.413 1.00 0.00 C ATOM 1582 C GLU A 101 22.897 25.246 -9.877 1.00 0.00 C ATOM 1583 O GLU A 101 22.563 25.224 -11.059 1.00 0.00 O ATOM 1584 CB GLU A 101 25.306 25.456 -9.129 1.00 0.00 C ATOM 1585 CG GLU A 101 25.914 24.903 -10.426 1.00 0.00 C ATOM 1586 CD GLU A 101 27.101 23.975 -10.152 1.00 0.00 C ATOM 1587 OE1 GLU A 101 28.190 24.472 -9.781 1.00 0.00 O ATOM 1588 OE2 GLU A 101 26.952 22.746 -10.357 1.00 0.00 O ATOM 0 H GLU A 101 24.184 26.826 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 101 24.173 26.919 -10.225 1.00 0.00 H new ATOM 0 HB2 GLU A 101 26.019 26.123 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 101 25.113 24.638 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 101 25.150 24.360 -10.982 1.00 0.00 H new ATOM 0 HG3 GLU A 101 26.239 25.731 -11.056 1.00 0.00 H new ATOM 1595 N GLN A 102 22.310 24.457 -8.968 1.00 0.00 N ATOM 1596 CA GLN A 102 21.269 23.495 -9.338 1.00 0.00 C ATOM 1597 C GLN A 102 19.948 24.165 -9.754 1.00 0.00 C ATOM 1598 O GLN A 102 19.273 23.649 -10.639 1.00 0.00 O ATOM 1599 CB GLN A 102 21.042 22.474 -8.219 1.00 0.00 C ATOM 1600 CG GLN A 102 22.265 21.554 -8.036 1.00 0.00 C ATOM 1601 CD GLN A 102 22.163 20.714 -6.762 1.00 0.00 C ATOM 1602 OE1 GLN A 102 21.789 19.547 -6.776 1.00 0.00 O ATOM 1603 NE2 GLN A 102 22.490 21.284 -5.619 1.00 0.00 N ATOM 0 H GLN A 102 22.539 24.467 -7.974 1.00 0.00 H new ATOM 0 HA GLN A 102 21.635 22.969 -10.219 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.836 22.996 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 102 20.163 21.871 -8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.355 20.894 -8.899 1.00 0.00 H new ATOM 0 HG3 GLN A 102 23.171 22.158 -8.001 1.00 0.00 H new ATOM 0 HE21 GLN A 102 22.802 22.255 -5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 102 22.431 20.754 -4.750 1.00 0.00 H new ATOM 1612 N VAL A 103 19.584 25.310 -9.171 1.00 0.00 N ATOM 1613 CA VAL A 103 18.403 26.097 -9.575 1.00 0.00 C ATOM 1614 C VAL A 103 18.606 26.730 -10.960 1.00 0.00 C ATOM 1615 O VAL A 103 17.682 26.700 -11.770 1.00 0.00 O ATOM 1616 CB VAL A 103 18.050 27.158 -8.508 1.00 0.00 C ATOM 1617 CG1 VAL A 103 17.041 28.215 -8.990 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.444 26.464 -7.275 1.00 0.00 C ATOM 0 H VAL A 103 20.102 25.726 -8.397 1.00 0.00 H new ATOM 0 HA VAL A 103 17.555 25.416 -9.650 1.00 0.00 H new ATOM 0 HB VAL A 103 18.984 27.670 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.844 28.924 -8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.452 28.746 -9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.111 27.725 -9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 103 17.195 27.212 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.541 25.928 -7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.166 25.760 -6.862 1.00 0.00 H new ATOM 1628 N GLU A 104 19.805 27.239 -11.275 1.00 0.00 N ATOM 1629 CA GLU A 104 20.146 27.661 -12.637 1.00 0.00 C ATOM 1630 C GLU A 104 20.072 26.475 -13.620 1.00 0.00 C ATOM 1631 O GLU A 104 19.454 26.586 -14.682 1.00 0.00 O ATOM 1632 CB GLU A 104 21.538 28.315 -12.680 1.00 0.00 C ATOM 1633 CG GLU A 104 21.509 29.763 -12.177 1.00 0.00 C ATOM 1634 CD GLU A 104 22.884 30.431 -12.337 1.00 0.00 C ATOM 1635 OE1 GLU A 104 23.207 30.883 -13.461 1.00 0.00 O ATOM 1636 OE2 GLU A 104 23.644 30.524 -11.343 1.00 0.00 O ATOM 0 H GLU A 104 20.558 27.368 -10.599 1.00 0.00 H new ATOM 0 HA GLU A 104 19.412 28.404 -12.947 1.00 0.00 H new ATOM 0 HB2 GLU A 104 22.230 27.734 -12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.917 28.294 -13.702 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.760 30.329 -12.731 1.00 0.00 H new ATOM 0 HG3 GLU A 104 21.212 29.781 -11.128 1.00 0.00 H new ATOM 1643 N LYS A 105 20.616 25.310 -13.248 1.00 0.00 N ATOM 1644 CA LYS A 105 20.497 24.081 -14.041 1.00 0.00 C ATOM 1645 C LYS A 105 19.037 23.626 -14.216 1.00 0.00 C ATOM 1646 O LYS A 105 18.676 23.183 -15.307 1.00 0.00 O ATOM 1647 CB LYS A 105 21.385 22.978 -13.442 1.00 0.00 C ATOM 1648 CG LYS A 105 22.870 23.217 -13.767 1.00 0.00 C ATOM 1649 CD LYS A 105 23.788 22.233 -13.033 1.00 0.00 C ATOM 1650 CE LYS A 105 25.231 22.406 -13.533 1.00 0.00 C ATOM 1651 NZ LYS A 105 26.189 21.543 -12.790 1.00 0.00 N ATOM 0 H LYS A 105 21.152 25.193 -12.388 1.00 0.00 H new ATOM 0 HA LYS A 105 20.854 24.297 -15.048 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.248 22.945 -12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 105 21.077 22.008 -13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 105 23.025 23.123 -14.842 1.00 0.00 H new ATOM 0 HG3 LYS A 105 23.141 24.237 -13.494 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.741 22.408 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.453 21.210 -13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.277 22.167 -14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.528 23.450 -13.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 27.082 21.481 -13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 26.370 21.953 -11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.785 20.591 -12.679 1.00 0.00 H new ATOM 1665 N ALA A 106 18.161 23.785 -13.216 1.00 0.00 N ATOM 1666 CA ALA A 106 16.725 23.504 -13.336 1.00 0.00 C ATOM 1667 C ALA A 106 16.023 24.425 -14.356 1.00 0.00 C ATOM 1668 O ALA A 106 15.099 23.989 -15.043 1.00 0.00 O ATOM 1669 CB ALA A 106 16.071 23.609 -11.952 1.00 0.00 C ATOM 0 H ALA A 106 18.433 24.116 -12.290 1.00 0.00 H new ATOM 0 HA ALA A 106 16.610 22.490 -13.718 1.00 0.00 H new ATOM 0 HB1 ALA A 106 15.004 23.401 -12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.529 22.886 -11.277 1.00 0.00 H new ATOM 0 HB3 ALA A 106 16.214 24.615 -11.557 1.00 0.00 H new ATOM 1675 N MET A 107 16.476 25.678 -14.494 1.00 0.00 N ATOM 1676 CA MET A 107 15.947 26.637 -15.477 1.00 0.00 C ATOM 1677 C MET A 107 16.409 26.321 -16.910 1.00 0.00 C ATOM 1678 O MET A 107 15.594 26.388 -17.830 1.00 0.00 O ATOM 1679 CB MET A 107 16.348 28.069 -15.082 1.00 0.00 C ATOM 1680 CG MET A 107 15.650 28.527 -13.795 1.00 0.00 C ATOM 1681 SD MET A 107 16.263 30.108 -13.162 1.00 0.00 S ATOM 1682 CE MET A 107 15.225 30.237 -11.685 1.00 0.00 C ATOM 0 H MET A 107 17.228 26.060 -13.921 1.00 0.00 H new ATOM 0 HA MET A 107 14.861 26.550 -15.469 1.00 0.00 H new ATOM 0 HB2 MET A 107 17.428 28.118 -14.946 1.00 0.00 H new ATOM 0 HB3 MET A 107 16.097 28.752 -15.893 1.00 0.00 H new ATOM 0 HG2 MET A 107 14.579 28.611 -13.982 1.00 0.00 H new ATOM 0 HG3 MET A 107 15.781 27.763 -13.029 1.00 0.00 H new ATOM 0 HE1 MET A 107 15.460 31.160 -11.155 1.00 0.00 H new ATOM 0 HE2 MET A 107 14.175 30.244 -11.978 1.00 0.00 H new ATOM 0 HE3 MET A 107 15.414 29.385 -11.032 1.00 0.00 H new ATOM 1692 N CYS A 108 17.684 25.954 -17.111 1.00 0.00 N ATOM 1693 CA CYS A 108 18.246 25.640 -18.439 1.00 0.00 C ATOM 1694 C CYS A 108 18.193 24.144 -18.841 1.00 0.00 C ATOM 1695 O CYS A 108 18.668 23.799 -19.929 1.00 0.00 O ATOM 1696 CB CYS A 108 19.665 26.231 -18.526 1.00 0.00 C ATOM 1697 SG CYS A 108 20.839 25.272 -17.530 1.00 0.00 S ATOM 0 H CYS A 108 18.361 25.865 -16.353 1.00 0.00 H new ATOM 0 HA CYS A 108 17.601 26.109 -19.182 1.00 0.00 H new ATOM 0 HB2 CYS A 108 19.993 26.245 -19.565 1.00 0.00 H new ATOM 0 HB3 CYS A 108 19.652 27.265 -18.182 1.00 0.00 H new ATOM 0 HG CYS A 108 22.024 25.798 -17.629 1.00 0.00 H new ATOM 1703 N SER A 109 17.621 23.277 -17.987 1.00 0.00 N ATOM 1704 CA SER A 109 17.470 21.816 -18.170 1.00 0.00 C ATOM 1705 C SER A 109 17.028 21.398 -19.583 1.00 0.00 C ATOM 1706 O SER A 109 15.976 21.886 -20.066 1.00 0.00 O ATOM 1707 CB SER A 109 16.463 21.249 -17.167 1.00 0.00 C ATOM 1708 OG SER A 109 17.094 21.148 -15.911 1.00 0.00 O ATOM 1709 OXT SER A 109 17.716 20.545 -20.188 1.00 0.00 O ATOM 0 H SER A 109 17.228 23.591 -17.100 1.00 0.00 H new ATOM 0 HA SER A 109 18.467 21.408 -18.005 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.588 21.896 -17.101 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.112 20.271 -17.495 1.00 0.00 H new ATOM 0 HG SER A 109 17.419 22.031 -15.636 1.00 0.00 H new