USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 667 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 73 MET CE :methyl -143:sc= 0 (180deg=-0.514) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 155:sc= 0.423 (180deg=0) USER MOD Set 3.2: A 38 HIS : no HD1:sc= 0.777 K(o=1.2,f=-3.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0.26 K(o=0.26,f=-4.2!) USER MOD Single : A 46 MET CE :methyl 172:sc= -0.0237 (180deg=-0.107) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0966 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -179:sc= 0 (180deg=-0.00284) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.35 X(o=0.35,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= -2.04 (180deg=-2.04) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 69 GLN : amide:sc= 0.412 X(o=0.41,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.886 K(o=0.89,f=-0.29) USER MOD Single : A 72 HIS : no HD1:sc= 0.0378 K(o=0.038,f=-1.2) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.108 USER MOD Single : A 88 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.446 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -168:sc= 1.1 (180deg=0.988) USER MOD Single : A 105 ASN : amide:sc= 1.14 K(o=1.1,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 11.811 6.892 5.279 1.00 0.00 N ATOM 69 CA VAL A 27 12.404 7.474 4.058 1.00 0.00 C ATOM 70 C VAL A 27 13.932 7.516 4.126 1.00 0.00 C ATOM 71 O VAL A 27 14.494 7.907 5.149 1.00 0.00 O ATOM 72 CB VAL A 27 11.846 8.886 3.768 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.788 9.739 5.041 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.677 9.610 2.690 1.00 0.00 C ATOM 0 HA VAL A 27 12.120 6.817 3.236 1.00 0.00 H new ATOM 0 HB VAL A 27 10.831 8.754 3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.391 10.725 4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.141 9.256 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.791 9.843 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.257 10.600 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.708 9.709 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.655 9.033 1.765 1.00 0.00 H new ATOM 84 N ARG A 28 14.601 7.265 2.994 1.00 0.00 N ATOM 85 CA ARG A 28 16.040 7.496 2.806 1.00 0.00 C ATOM 86 C ARG A 28 16.360 7.759 1.312 1.00 0.00 C ATOM 87 O ARG A 28 16.217 6.822 0.524 1.00 0.00 O ATOM 88 CB ARG A 28 16.801 6.217 3.261 1.00 0.00 C ATOM 89 CG ARG A 28 16.884 5.869 4.762 1.00 0.00 C ATOM 90 CD ARG A 28 17.831 6.749 5.589 1.00 0.00 C ATOM 91 NE ARG A 28 17.426 8.168 5.584 1.00 0.00 N ATOM 92 CZ ARG A 28 18.209 9.205 5.339 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.501 9.126 5.235 1.00 0.00 N ATOM 94 NH2 ARG A 28 17.735 10.393 5.137 1.00 0.00 N ATOM 0 H ARG A 28 14.146 6.887 2.163 1.00 0.00 H new ATOM 0 HA ARG A 28 16.345 8.365 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.342 5.368 2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.822 6.296 2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.884 5.939 5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.201 4.831 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.857 6.385 6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.843 6.661 5.194 1.00 0.00 H new ATOM 0 HE ARG A 28 16.447 8.368 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.967 8.225 5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.050 9.965 5.045 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.728 10.552 5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.369 11.170 4.951 1.00 0.00 H new ATOM 108 N PRO A 29 16.737 8.988 0.896 1.00 0.00 N ATOM 109 CA PRO A 29 16.962 9.364 -0.507 1.00 0.00 C ATOM 110 C PRO A 29 18.437 9.298 -0.953 1.00 0.00 C ATOM 111 O PRO A 29 19.348 9.071 -0.153 1.00 0.00 O ATOM 112 CB PRO A 29 16.394 10.785 -0.605 1.00 0.00 C ATOM 113 CG PRO A 29 16.848 11.377 0.722 1.00 0.00 C ATOM 114 CD PRO A 29 16.712 10.206 1.696 1.00 0.00 C ATOM 0 HA PRO A 29 16.476 8.659 -1.182 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.796 11.331 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.309 10.788 -0.707 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.875 11.740 0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.226 12.221 1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.526 10.209 2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.782 10.279 2.261 1.00 0.00 H new ATOM 122 N LYS A 30 18.659 9.558 -2.251 1.00 0.00 N ATOM 123 CA LYS A 30 19.978 9.760 -2.887 1.00 0.00 C ATOM 124 C LYS A 30 20.253 11.257 -3.045 1.00 0.00 C ATOM 125 O LYS A 30 19.324 12.010 -3.322 1.00 0.00 O ATOM 126 CB LYS A 30 19.969 9.028 -4.244 1.00 0.00 C ATOM 127 CG LYS A 30 21.315 8.515 -4.777 1.00 0.00 C ATOM 128 CD LYS A 30 21.971 7.457 -3.875 1.00 0.00 C ATOM 129 CE LYS A 30 23.080 6.730 -4.649 1.00 0.00 C ATOM 130 NZ LYS A 30 23.772 5.717 -3.804 1.00 0.00 N ATOM 0 H LYS A 30 17.892 9.637 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 30 20.779 9.351 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.292 8.178 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.547 9.703 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.165 8.091 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.997 9.358 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.386 7.931 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.223 6.741 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.652 6.242 -5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.806 7.457 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 24.514 5.248 -4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.202 6.186 -2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.084 5.009 -3.478 1.00 0.00 H new ATOM 144 N LEU A 31 21.504 11.697 -2.940 1.00 0.00 N ATOM 145 CA LEU A 31 21.876 13.129 -2.941 1.00 0.00 C ATOM 146 C LEU A 31 21.385 13.936 -4.165 1.00 0.00 C ATOM 147 O LEU A 31 20.735 14.963 -3.962 1.00 0.00 O ATOM 148 CB LEU A 31 23.397 13.244 -2.700 1.00 0.00 C ATOM 149 CG LEU A 31 23.972 14.677 -2.711 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.332 15.583 -1.658 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.476 14.624 -2.444 1.00 0.00 C ATOM 0 H LEU A 31 22.304 11.071 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 31 21.339 13.608 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.629 12.787 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.912 12.660 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 31 23.754 15.095 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.777 16.577 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.260 15.654 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.503 15.165 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.883 15.635 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.657 14.167 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.962 14.031 -3.219 1.00 0.00 H new ATOM 163 N PRO A 32 21.576 13.493 -5.423 1.00 0.00 N ATOM 164 CA PRO A 32 20.997 14.182 -6.583 1.00 0.00 C ATOM 165 C PRO A 32 19.464 14.234 -6.591 1.00 0.00 C ATOM 166 O PRO A 32 18.902 15.150 -7.185 1.00 0.00 O ATOM 167 CB PRO A 32 21.540 13.439 -7.809 1.00 0.00 C ATOM 168 CG PRO A 32 21.949 12.068 -7.273 1.00 0.00 C ATOM 169 CD PRO A 32 22.435 12.405 -5.871 1.00 0.00 C ATOM 0 HA PRO A 32 21.284 15.233 -6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.783 13.351 -8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.389 13.963 -8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.112 11.370 -7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.733 11.612 -7.877 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.357 11.543 -5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.482 12.707 -5.879 1.00 0.00 H new ATOM 177 N LEU A 33 18.778 13.305 -5.913 1.00 0.00 N ATOM 178 CA LEU A 33 17.313 13.221 -5.892 1.00 0.00 C ATOM 179 C LEU A 33 16.782 14.117 -4.760 1.00 0.00 C ATOM 180 O LEU A 33 15.878 14.913 -4.983 1.00 0.00 O ATOM 181 CB LEU A 33 16.895 11.730 -5.839 1.00 0.00 C ATOM 182 CG LEU A 33 15.542 11.384 -6.502 1.00 0.00 C ATOM 183 CD1 LEU A 33 15.320 9.877 -6.478 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.349 12.028 -5.799 1.00 0.00 C ATOM 0 H LEU A 33 19.232 12.581 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 33 16.852 13.609 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.674 11.137 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.855 11.421 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 33 15.600 11.770 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.364 9.642 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.123 9.382 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.313 9.527 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.429 11.747 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.307 11.685 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.458 13.112 -5.817 1.00 0.00 H new ATOM 196 N LEU A 34 17.433 14.099 -3.589 1.00 0.00 N ATOM 197 CA LEU A 34 17.239 15.053 -2.485 1.00 0.00 C ATOM 198 C LEU A 34 17.319 16.490 -3.034 1.00 0.00 C ATOM 199 O LEU A 34 16.470 17.316 -2.720 1.00 0.00 O ATOM 200 CB LEU A 34 18.346 14.786 -1.458 1.00 0.00 C ATOM 201 CG LEU A 34 18.448 15.685 -0.204 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.775 15.245 0.440 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.655 17.181 -0.429 1.00 0.00 C ATOM 0 H LEU A 34 18.137 13.393 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 34 16.263 14.934 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.234 13.757 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.300 14.845 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 34 17.510 15.572 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.949 15.824 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.724 14.185 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.593 15.413 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.709 17.690 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.584 17.342 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.821 17.581 -1.005 1.00 0.00 H new ATOM 215 N LYS A 35 18.294 16.793 -3.904 1.00 0.00 N ATOM 216 CA LYS A 35 18.424 18.117 -4.544 1.00 0.00 C ATOM 217 C LYS A 35 17.232 18.473 -5.445 1.00 0.00 C ATOM 218 O LYS A 35 16.800 19.624 -5.400 1.00 0.00 O ATOM 219 CB LYS A 35 19.775 18.226 -5.270 1.00 0.00 C ATOM 220 CG LYS A 35 20.994 18.367 -4.335 1.00 0.00 C ATOM 221 CD LYS A 35 21.148 19.744 -3.654 1.00 0.00 C ATOM 222 CE LYS A 35 20.463 19.850 -2.279 1.00 0.00 C ATOM 223 NZ LYS A 35 20.617 21.208 -1.683 1.00 0.00 N ATOM 0 H LYS A 35 19.016 16.130 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 35 18.406 18.868 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.911 17.342 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.745 19.086 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.927 17.603 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.897 18.161 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.210 19.961 -3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.737 20.510 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.403 19.617 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.888 19.107 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.839 21.385 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.525 21.265 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.595 21.923 -2.438 1.00 0.00 H new ATOM 237 N ILE A 36 16.631 17.514 -6.165 1.00 0.00 N ATOM 238 CA ILE A 36 15.343 17.742 -6.854 1.00 0.00 C ATOM 239 C ILE A 36 14.283 18.101 -5.807 1.00 0.00 C ATOM 240 O ILE A 36 13.520 19.043 -5.994 1.00 0.00 O ATOM 241 CB ILE A 36 14.854 16.529 -7.678 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.901 15.948 -8.644 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.600 16.915 -8.482 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.671 16.949 -9.507 1.00 0.00 C ATOM 0 H ILE A 36 17.011 16.575 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 36 15.501 18.554 -7.564 1.00 0.00 H new ATOM 0 HB ILE A 36 14.638 15.750 -6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.623 15.377 -8.060 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.398 15.244 -9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.260 16.056 -9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.811 17.227 -7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.840 17.736 -9.158 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.377 16.414 -10.143 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.971 17.506 -10.130 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.215 17.641 -8.864 1.00 0.00 H new ATOM 256 N LEU A 37 14.278 17.386 -4.676 1.00 0.00 N ATOM 257 CA LEU A 37 13.307 17.555 -3.595 1.00 0.00 C ATOM 258 C LEU A 37 13.386 18.946 -2.953 1.00 0.00 C ATOM 259 O LEU A 37 12.382 19.656 -2.914 1.00 0.00 O ATOM 260 CB LEU A 37 13.322 16.340 -2.643 1.00 0.00 C ATOM 261 CG LEU A 37 12.930 15.043 -3.389 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.200 13.784 -2.577 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.453 15.005 -3.764 1.00 0.00 C ATOM 0 H LEU A 37 14.966 16.658 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 37 12.298 17.549 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.315 16.227 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.631 16.512 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 37 13.555 15.059 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.904 12.908 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.263 13.723 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.627 13.819 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.234 14.073 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.846 15.067 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.221 15.848 -4.415 1.00 0.00 H new ATOM 275 N HIS A 38 14.580 19.402 -2.567 1.00 0.00 N ATOM 276 CA HIS A 38 14.802 20.781 -2.095 1.00 0.00 C ATOM 277 C HIS A 38 14.378 21.816 -3.153 1.00 0.00 C ATOM 278 O HIS A 38 13.640 22.749 -2.840 1.00 0.00 O ATOM 279 CB HIS A 38 16.295 21.028 -1.808 1.00 0.00 C ATOM 280 CG HIS A 38 16.802 20.551 -0.477 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.994 20.980 0.118 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.208 19.626 0.325 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.085 20.304 1.276 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.034 19.479 1.411 1.00 0.00 N ATOM 0 H HIS A 38 15.424 18.829 -2.571 1.00 0.00 H new ATOM 0 HA HIS A 38 14.204 20.894 -1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.879 20.544 -2.591 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.486 22.098 -1.884 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.276 19.112 0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.886 20.409 1.993 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.875 18.845 2.194 1.00 0.00 H new ATOM 292 N ALA A 39 14.823 21.655 -4.409 1.00 0.00 N ATOM 293 CA ALA A 39 14.560 22.616 -5.487 1.00 0.00 C ATOM 294 C ALA A 39 13.062 22.716 -5.845 1.00 0.00 C ATOM 295 O ALA A 39 12.568 23.797 -6.172 1.00 0.00 O ATOM 296 CB ALA A 39 15.407 22.226 -6.703 1.00 0.00 C ATOM 0 H ALA A 39 15.377 20.851 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 39 14.841 23.612 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.224 22.930 -7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.463 22.249 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.137 21.221 -7.027 1.00 0.00 H new ATOM 302 N ALA A 40 12.324 21.610 -5.710 1.00 0.00 N ATOM 303 CA ALA A 40 10.865 21.552 -5.812 1.00 0.00 C ATOM 304 C ALA A 40 10.100 22.198 -4.636 1.00 0.00 C ATOM 305 O ALA A 40 8.869 22.250 -4.678 1.00 0.00 O ATOM 306 CB ALA A 40 10.471 20.082 -5.942 1.00 0.00 C ATOM 0 H ALA A 40 12.742 20.699 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 40 10.580 22.141 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.387 20.001 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.932 19.659 -6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.813 19.535 -5.064 1.00 0.00 H new ATOM 312 N GLY A 41 10.799 22.665 -3.594 1.00 0.00 N ATOM 313 CA GLY A 41 10.237 23.378 -2.440 1.00 0.00 C ATOM 314 C GLY A 41 10.498 22.726 -1.073 1.00 0.00 C ATOM 315 O GLY A 41 10.066 23.280 -0.059 1.00 0.00 O ATOM 0 H GLY A 41 11.811 22.552 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.644 24.389 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.160 23.470 -2.580 1.00 0.00 H new ATOM 319 N ALA A 42 11.178 21.573 -1.016 1.00 0.00 N ATOM 320 CA ALA A 42 11.454 20.861 0.233 1.00 0.00 C ATOM 321 C ALA A 42 12.681 21.398 1.009 1.00 0.00 C ATOM 322 O ALA A 42 13.249 22.455 0.724 1.00 0.00 O ATOM 323 CB ALA A 42 11.530 19.347 -0.044 1.00 0.00 C ATOM 0 H ALA A 42 11.553 21.107 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 42 10.621 21.051 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.736 18.817 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.580 19.004 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.328 19.148 -0.759 1.00 0.00 H new ATOM 329 N GLN A 43 13.057 20.624 2.024 1.00 0.00 N ATOM 330 CA GLN A 43 14.095 20.843 3.037 1.00 0.00 C ATOM 331 C GLN A 43 14.343 19.510 3.781 1.00 0.00 C ATOM 332 O GLN A 43 13.425 18.696 3.919 1.00 0.00 O ATOM 333 CB GLN A 43 13.635 21.950 4.012 1.00 0.00 C ATOM 334 CG GLN A 43 14.662 22.328 5.094 1.00 0.00 C ATOM 335 CD GLN A 43 16.013 22.745 4.512 1.00 0.00 C ATOM 336 OE1 GLN A 43 16.918 21.935 4.353 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.194 23.995 4.140 1.00 0.00 N ATOM 0 H GLN A 43 12.593 19.729 2.176 1.00 0.00 H new ATOM 0 HA GLN A 43 15.026 21.168 2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.390 22.843 3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.717 21.625 4.501 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.264 23.145 5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.806 21.480 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.447 24.678 4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.081 24.280 3.724 1.00 0.00 H new ATOM 346 N GLY A 44 15.571 19.273 4.252 1.00 0.00 N ATOM 347 CA GLY A 44 16.022 17.986 4.788 1.00 0.00 C ATOM 348 C GLY A 44 16.135 16.907 3.708 1.00 0.00 C ATOM 349 O GLY A 44 15.957 17.162 2.522 1.00 0.00 O ATOM 0 H GLY A 44 16.297 19.989 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.991 18.116 5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.326 17.653 5.558 1.00 0.00 H new ATOM 353 N GLU A 45 16.444 15.685 4.119 1.00 0.00 N ATOM 354 CA GLU A 45 16.477 14.485 3.280 1.00 0.00 C ATOM 355 C GLU A 45 15.563 13.384 3.829 1.00 0.00 C ATOM 356 O GLU A 45 15.887 12.198 3.790 1.00 0.00 O ATOM 357 CB GLU A 45 17.929 14.068 3.053 1.00 0.00 C ATOM 358 CG GLU A 45 18.690 13.749 4.350 1.00 0.00 C ATOM 359 CD GLU A 45 19.996 12.980 4.089 1.00 0.00 C ATOM 360 OE1 GLU A 45 21.000 13.586 3.644 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.021 11.756 4.371 1.00 0.00 O ATOM 0 H GLU A 45 16.690 15.489 5.089 1.00 0.00 H new ATOM 0 HA GLU A 45 16.060 14.701 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.949 13.191 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.449 14.867 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.917 14.678 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.050 13.161 5.008 1.00 0.00 H new ATOM 368 N MET A 46 14.419 13.779 4.389 1.00 0.00 N ATOM 369 CA MET A 46 13.398 12.839 4.869 1.00 0.00 C ATOM 370 C MET A 46 11.978 13.348 4.520 1.00 0.00 C ATOM 371 O MET A 46 11.453 14.269 5.146 1.00 0.00 O ATOM 372 CB MET A 46 13.529 12.648 6.392 1.00 0.00 C ATOM 373 CG MET A 46 14.779 11.846 6.775 1.00 0.00 C ATOM 374 SD MET A 46 14.772 11.178 8.462 1.00 0.00 S ATOM 375 CE MET A 46 13.560 9.837 8.265 1.00 0.00 C ATOM 0 H MET A 46 14.171 14.759 4.524 1.00 0.00 H new ATOM 0 HA MET A 46 13.553 11.880 4.374 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.564 13.624 6.876 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.643 12.137 6.769 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.892 11.020 6.073 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.654 12.486 6.657 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.538 9.230 9.170 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.572 10.262 8.089 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.842 9.213 7.417 1.00 0.00 H new ATOM 385 N PHE A 47 11.356 12.710 3.527 1.00 0.00 N ATOM 386 CA PHE A 47 9.994 12.943 3.009 1.00 0.00 C ATOM 387 C PHE A 47 9.388 11.618 2.494 1.00 0.00 C ATOM 388 O PHE A 47 10.019 10.913 1.714 1.00 0.00 O ATOM 389 CB PHE A 47 10.030 14.014 1.887 1.00 0.00 C ATOM 390 CG PHE A 47 11.405 14.519 1.467 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.342 13.629 0.907 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.769 15.861 1.686 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.641 14.067 0.602 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.053 16.309 1.331 1.00 0.00 C ATOM 395 CZ PHE A 47 13.986 15.416 0.781 1.00 0.00 C ATOM 0 H PHE A 47 11.822 11.957 3.020 1.00 0.00 H new ATOM 0 HA PHE A 47 9.361 13.314 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.536 13.602 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.439 14.869 2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.060 12.605 0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.061 16.547 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.374 13.367 0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.323 17.344 1.482 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.967 15.766 0.496 1.00 0.00 H new ATOM 405 N THR A 48 8.179 11.245 2.918 1.00 0.00 N ATOM 406 CA THR A 48 7.548 9.936 2.594 1.00 0.00 C ATOM 407 C THR A 48 6.992 9.886 1.160 1.00 0.00 C ATOM 408 O THR A 48 7.054 10.879 0.442 1.00 0.00 O ATOM 409 CB THR A 48 6.477 9.556 3.652 1.00 0.00 C ATOM 410 OG1 THR A 48 6.138 10.660 4.467 1.00 0.00 O ATOM 411 CG2 THR A 48 7.006 8.464 4.584 1.00 0.00 C ATOM 0 H THR A 48 7.593 11.840 3.503 1.00 0.00 H new ATOM 0 HA THR A 48 8.334 9.182 2.635 1.00 0.00 H new ATOM 0 HB THR A 48 5.603 9.213 3.098 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.461 10.388 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.242 8.211 5.319 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.256 7.578 4.001 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.897 8.824 5.097 1.00 0.00 H new ATOM 419 N VAL A 49 6.410 8.753 0.723 1.00 0.00 N ATOM 420 CA VAL A 49 5.913 8.533 -0.671 1.00 0.00 C ATOM 421 C VAL A 49 5.063 9.709 -1.174 1.00 0.00 C ATOM 422 O VAL A 49 5.266 10.232 -2.270 1.00 0.00 O ATOM 423 CB VAL A 49 4.998 7.278 -0.781 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.937 6.793 -2.234 1.00 0.00 C ATOM 425 CG2 VAL A 49 5.361 6.105 0.138 1.00 0.00 C ATOM 0 H VAL A 49 6.264 7.946 1.329 1.00 0.00 H new ATOM 0 HA VAL A 49 6.817 8.414 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 49 4.022 7.620 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.294 5.915 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.534 7.585 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.940 6.534 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.659 5.287 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.372 5.765 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.310 6.428 1.178 1.00 0.00 H new ATOM 435 N LYS A 50 4.146 10.141 -0.304 1.00 0.00 N ATOM 436 CA LYS A 50 3.166 11.215 -0.517 1.00 0.00 C ATOM 437 C LYS A 50 3.843 12.562 -0.781 1.00 0.00 C ATOM 438 O LYS A 50 3.413 13.318 -1.647 1.00 0.00 O ATOM 439 CB LYS A 50 2.276 11.304 0.736 1.00 0.00 C ATOM 440 CG LYS A 50 1.436 10.034 0.975 1.00 0.00 C ATOM 441 CD LYS A 50 0.676 10.057 2.311 1.00 0.00 C ATOM 442 CE LYS A 50 1.618 10.005 3.529 1.00 0.00 C ATOM 443 NZ LYS A 50 0.852 9.893 4.803 1.00 0.00 N ATOM 0 H LYS A 50 4.061 9.727 0.624 1.00 0.00 H new ATOM 0 HA LYS A 50 2.570 10.983 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.904 11.486 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.609 12.161 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.722 9.919 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.090 9.163 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.069 10.961 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.009 9.210 2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.294 9.155 3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.236 10.902 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.514 9.860 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.226 10.717 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.281 9.024 4.790 1.00 0.00 H new ATOM 457 N GLU A 51 4.938 12.823 -0.070 1.00 0.00 N ATOM 458 CA GLU A 51 5.753 14.033 -0.197 1.00 0.00 C ATOM 459 C GLU A 51 6.638 13.967 -1.450 1.00 0.00 C ATOM 460 O GLU A 51 6.635 14.897 -2.253 1.00 0.00 O ATOM 461 CB GLU A 51 6.611 14.202 1.071 1.00 0.00 C ATOM 462 CG GLU A 51 5.823 14.297 2.385 1.00 0.00 C ATOM 463 CD GLU A 51 4.866 15.505 2.409 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.313 16.632 2.733 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.656 15.337 2.121 1.00 0.00 O ATOM 0 H GLU A 51 5.296 12.178 0.634 1.00 0.00 H new ATOM 0 HA GLU A 51 5.097 14.897 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.300 13.360 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.217 15.102 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.251 13.381 2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.520 14.373 3.219 1.00 0.00 H new ATOM 472 N VAL A 52 7.348 12.852 -1.669 1.00 0.00 N ATOM 473 CA VAL A 52 8.263 12.669 -2.815 1.00 0.00 C ATOM 474 C VAL A 52 7.526 12.804 -4.146 1.00 0.00 C ATOM 475 O VAL A 52 7.955 13.577 -5.002 1.00 0.00 O ATOM 476 CB VAL A 52 9.004 11.319 -2.722 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.802 10.967 -3.986 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.994 11.356 -1.556 1.00 0.00 C ATOM 0 H VAL A 52 7.306 12.041 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 52 9.008 13.464 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 52 8.230 10.564 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.296 10.005 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.126 10.908 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.551 11.737 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.516 10.402 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.717 12.155 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.455 11.538 -0.626 1.00 0.00 H new ATOM 488 N MET A 53 6.396 12.112 -4.325 1.00 0.00 N ATOM 489 CA MET A 53 5.635 12.203 -5.579 1.00 0.00 C ATOM 490 C MET A 53 4.994 13.585 -5.758 1.00 0.00 C ATOM 491 O MET A 53 4.995 14.109 -6.870 1.00 0.00 O ATOM 492 CB MET A 53 4.575 11.094 -5.653 1.00 0.00 C ATOM 493 CG MET A 53 5.191 9.689 -5.676 1.00 0.00 C ATOM 494 SD MET A 53 6.416 9.352 -6.980 1.00 0.00 S ATOM 495 CE MET A 53 5.414 9.566 -8.478 1.00 0.00 C ATOM 0 H MET A 53 5.990 11.489 -3.627 1.00 0.00 H new ATOM 0 HA MET A 53 6.339 12.064 -6.400 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.905 11.179 -4.797 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.969 11.235 -6.548 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.664 9.510 -4.711 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.382 8.965 -5.774 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.028 9.373 -9.357 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.578 8.867 -8.459 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.033 10.587 -8.518 1.00 0.00 H new ATOM 505 N HIS A 54 4.531 14.222 -4.675 1.00 0.00 N ATOM 506 CA HIS A 54 4.042 15.609 -4.718 1.00 0.00 C ATOM 507 C HIS A 54 5.127 16.566 -5.220 1.00 0.00 C ATOM 508 O HIS A 54 4.911 17.271 -6.205 1.00 0.00 O ATOM 509 CB HIS A 54 3.526 16.045 -3.340 1.00 0.00 C ATOM 510 CG HIS A 54 3.069 17.483 -3.307 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.889 17.973 -3.875 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.757 18.522 -2.747 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.890 19.297 -3.639 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.996 19.651 -2.961 1.00 0.00 N ATOM 0 H HIS A 54 4.484 13.795 -3.750 1.00 0.00 H new ATOM 0 HA HIS A 54 3.212 15.649 -5.424 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.697 15.400 -3.048 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.315 15.904 -2.602 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.708 18.469 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.113 19.979 -3.950 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.232 20.595 -2.657 1.00 0.00 H new ATOM 522 N TYR A 55 6.315 16.542 -4.609 1.00 0.00 N ATOM 523 CA TYR A 55 7.452 17.368 -5.025 1.00 0.00 C ATOM 524 C TYR A 55 7.917 17.066 -6.458 1.00 0.00 C ATOM 525 O TYR A 55 8.250 18.001 -7.185 1.00 0.00 O ATOM 526 CB TYR A 55 8.610 17.214 -4.024 1.00 0.00 C ATOM 527 CG TYR A 55 8.409 17.918 -2.691 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.146 19.304 -2.654 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.509 17.199 -1.483 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.945 19.958 -1.423 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.309 17.848 -0.250 1.00 0.00 C ATOM 532 CZ TYR A 55 8.022 19.230 -0.215 1.00 0.00 C ATOM 533 OH TYR A 55 7.839 19.853 0.983 1.00 0.00 O ATOM 0 H TYR A 55 6.516 15.945 -3.807 1.00 0.00 H new ATOM 0 HA TYR A 55 7.115 18.405 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.768 16.152 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.521 17.595 -4.485 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.099 19.866 -3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.740 16.144 -1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.732 21.017 -1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.375 17.288 0.671 1.00 0.00 H new ATOM 0 HH TYR A 55 7.926 19.200 1.708 1.00 0.00 H new ATOM 543 N LEU A 56 7.873 15.809 -6.915 1.00 0.00 N ATOM 544 CA LEU A 56 8.172 15.464 -8.310 1.00 0.00 C ATOM 545 C LEU A 56 7.157 16.115 -9.267 1.00 0.00 C ATOM 546 O LEU A 56 7.553 16.741 -10.251 1.00 0.00 O ATOM 547 CB LEU A 56 8.205 13.930 -8.461 1.00 0.00 C ATOM 548 CG LEU A 56 9.475 13.261 -7.902 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.278 11.748 -7.810 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.679 13.504 -8.806 1.00 0.00 C ATOM 0 H LEU A 56 7.631 15.007 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 56 9.153 15.857 -8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.335 13.509 -7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.113 13.679 -9.518 1.00 0.00 H new ATOM 0 HG LEU A 56 9.655 13.696 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.183 11.287 -7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.440 11.530 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.071 11.347 -8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.557 13.018 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.480 13.093 -9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.862 14.575 -8.888 1.00 0.00 H new ATOM 562 N GLY A 57 5.863 16.054 -8.935 1.00 0.00 N ATOM 563 CA GLY A 57 4.801 16.726 -9.686 1.00 0.00 C ATOM 564 C GLY A 57 4.983 18.246 -9.734 1.00 0.00 C ATOM 565 O GLY A 57 4.979 18.831 -10.821 1.00 0.00 O ATOM 0 H GLY A 57 5.522 15.531 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.777 16.335 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.838 16.494 -9.232 1.00 0.00 H new ATOM 569 N GLN A 58 5.261 18.880 -8.581 1.00 0.00 N ATOM 570 CA GLN A 58 5.575 20.315 -8.532 1.00 0.00 C ATOM 571 C GLN A 58 6.746 20.644 -9.451 1.00 0.00 C ATOM 572 O GLN A 58 6.633 21.547 -10.264 1.00 0.00 O ATOM 573 CB GLN A 58 5.936 20.825 -7.126 1.00 0.00 C ATOM 574 CG GLN A 58 4.873 20.594 -6.048 1.00 0.00 C ATOM 575 CD GLN A 58 4.869 21.687 -4.978 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.832 22.222 -4.606 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.003 22.069 -4.426 1.00 0.00 N ATOM 0 H GLN A 58 5.274 18.419 -7.671 1.00 0.00 H new ATOM 0 HA GLN A 58 4.660 20.812 -8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.860 20.342 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.140 21.894 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.890 20.547 -6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.046 19.628 -5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.882 21.640 -4.717 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.002 22.793 -3.708 1.00 0.00 H new ATOM 586 N TYR A 59 7.851 19.903 -9.361 1.00 0.00 N ATOM 587 CA TYR A 59 9.063 20.175 -10.139 1.00 0.00 C ATOM 588 C TYR A 59 8.833 20.075 -11.652 1.00 0.00 C ATOM 589 O TYR A 59 9.219 20.984 -12.388 1.00 0.00 O ATOM 590 CB TYR A 59 10.163 19.225 -9.674 1.00 0.00 C ATOM 591 CG TYR A 59 11.553 19.605 -10.146 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.283 20.588 -9.448 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.118 18.987 -11.279 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.577 20.946 -9.870 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.413 19.343 -11.702 1.00 0.00 C ATOM 596 CZ TYR A 59 14.150 20.319 -10.999 1.00 0.00 C ATOM 597 OH TYR A 59 15.406 20.656 -11.409 1.00 0.00 O ATOM 0 H TYR A 59 7.932 19.094 -8.745 1.00 0.00 H new ATOM 0 HA TYR A 59 9.366 21.207 -9.961 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.159 19.188 -8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.933 18.220 -10.028 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.847 21.069 -8.585 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.558 18.241 -11.823 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.132 21.700 -9.331 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.844 18.866 -12.570 1.00 0.00 H new ATOM 0 HH TYR A 59 15.645 20.128 -12.199 1.00 0.00 H new ATOM 607 N ILE A 60 8.127 19.034 -12.112 1.00 0.00 N ATOM 608 CA ILE A 60 7.742 18.875 -13.524 1.00 0.00 C ATOM 609 C ILE A 60 6.877 20.070 -13.972 1.00 0.00 C ATOM 610 O ILE A 60 7.173 20.684 -15.001 1.00 0.00 O ATOM 611 CB ILE A 60 7.071 17.493 -13.742 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.073 16.346 -13.446 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.545 17.291 -15.177 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.413 14.969 -13.308 1.00 0.00 C ATOM 0 H ILE A 60 7.804 18.274 -11.514 1.00 0.00 H new ATOM 0 HA ILE A 60 8.626 18.884 -14.162 1.00 0.00 H new ATOM 0 HB ILE A 60 6.226 17.470 -13.054 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.812 16.306 -14.246 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.611 16.575 -12.526 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.088 16.305 -15.262 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.802 18.056 -15.403 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.372 17.369 -15.882 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.176 14.219 -13.102 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.694 14.990 -12.489 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.898 14.718 -14.235 1.00 0.00 H new ATOM 626 N MET A 61 5.878 20.480 -13.182 1.00 0.00 N ATOM 627 CA MET A 61 5.033 21.645 -13.500 1.00 0.00 C ATOM 628 C MET A 61 5.761 23.001 -13.385 1.00 0.00 C ATOM 629 O MET A 61 5.450 23.916 -14.147 1.00 0.00 O ATOM 630 CB MET A 61 3.767 21.635 -12.624 1.00 0.00 C ATOM 631 CG MET A 61 2.618 20.791 -13.198 1.00 0.00 C ATOM 632 SD MET A 61 2.900 19.008 -13.399 1.00 0.00 S ATOM 633 CE MET A 61 3.406 18.918 -15.137 1.00 0.00 C ATOM 0 H MET A 61 5.630 20.018 -12.307 1.00 0.00 H new ATOM 0 HA MET A 61 4.761 21.545 -14.551 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.024 21.255 -11.635 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.421 22.660 -12.492 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.750 20.923 -12.552 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.355 21.201 -14.173 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.612 17.881 -15.403 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.606 19.302 -15.769 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.305 19.516 -15.286 1.00 0.00 H new ATOM 643 N VAL A 62 6.741 23.148 -12.485 1.00 0.00 N ATOM 644 CA VAL A 62 7.475 24.396 -12.225 1.00 0.00 C ATOM 645 C VAL A 62 8.533 24.658 -13.293 1.00 0.00 C ATOM 646 O VAL A 62 8.644 25.779 -13.794 1.00 0.00 O ATOM 647 CB VAL A 62 8.070 24.321 -10.801 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.281 25.210 -10.548 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.994 24.677 -9.770 1.00 0.00 C ATOM 0 H VAL A 62 7.057 22.376 -11.897 1.00 0.00 H new ATOM 0 HA VAL A 62 6.795 25.247 -12.278 1.00 0.00 H new ATOM 0 HB VAL A 62 8.418 23.293 -10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.619 25.081 -9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.084 24.934 -11.231 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.008 26.252 -10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.418 24.623 -8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.632 25.688 -9.956 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.165 23.974 -9.852 1.00 0.00 H new ATOM 659 N LYS A 63 9.270 23.613 -13.687 1.00 0.00 N ATOM 660 CA LYS A 63 10.223 23.651 -14.808 1.00 0.00 C ATOM 661 C LYS A 63 9.570 23.350 -16.172 1.00 0.00 C ATOM 662 O LYS A 63 10.213 23.561 -17.199 1.00 0.00 O ATOM 663 CB LYS A 63 11.430 22.755 -14.475 1.00 0.00 C ATOM 664 CG LYS A 63 12.377 23.296 -13.391 1.00 0.00 C ATOM 665 CD LYS A 63 13.088 24.598 -13.799 1.00 0.00 C ATOM 666 CE LYS A 63 14.225 24.972 -12.835 1.00 0.00 C ATOM 667 NZ LYS A 63 15.438 24.125 -13.028 1.00 0.00 N ATOM 0 H LYS A 63 9.222 22.702 -13.230 1.00 0.00 H new ATOM 0 HA LYS A 63 10.588 24.671 -14.927 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.060 21.781 -14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.004 22.595 -15.388 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.810 23.471 -12.477 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.126 22.538 -13.161 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.490 24.489 -14.806 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.362 25.410 -13.832 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.490 26.019 -12.980 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.875 24.871 -11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.175 24.416 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.194 23.127 -12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.791 24.240 -13.999 1.00 0.00 H new ATOM 681 N GLN A 64 8.286 22.956 -16.202 1.00 0.00 N ATOM 682 CA GLN A 64 7.447 22.831 -17.405 1.00 0.00 C ATOM 683 C GLN A 64 7.911 21.709 -18.344 1.00 0.00 C ATOM 684 O GLN A 64 7.968 21.857 -19.566 1.00 0.00 O ATOM 685 CB GLN A 64 7.201 24.193 -18.085 1.00 0.00 C ATOM 686 CG GLN A 64 6.592 25.213 -17.113 1.00 0.00 C ATOM 687 CD GLN A 64 6.292 26.547 -17.793 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.176 26.828 -18.215 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.269 27.420 -17.942 1.00 0.00 N ATOM 0 H GLN A 64 7.783 22.705 -15.351 1.00 0.00 H new ATOM 0 HA GLN A 64 6.460 22.503 -17.079 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.142 24.580 -18.475 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.534 24.059 -18.937 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.673 24.807 -16.691 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.279 25.376 -16.282 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.204 27.203 -17.597 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.090 28.312 -18.402 1.00 0.00 H new ATOM 698 N LEU A 65 8.219 20.554 -17.746 1.00 0.00 N ATOM 699 CA LEU A 65 8.662 19.341 -18.436 1.00 0.00 C ATOM 700 C LEU A 65 7.472 18.498 -18.911 1.00 0.00 C ATOM 701 O LEU A 65 7.410 17.302 -18.651 1.00 0.00 O ATOM 702 CB LEU A 65 9.616 18.530 -17.539 1.00 0.00 C ATOM 703 CG LEU A 65 10.961 19.164 -17.136 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.501 20.231 -18.090 1.00 0.00 C ATOM 705 CD2 LEU A 65 10.889 19.701 -15.718 1.00 0.00 C ATOM 0 H LEU A 65 8.165 20.435 -16.734 1.00 0.00 H new ATOM 0 HA LEU A 65 9.213 19.638 -19.328 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.079 18.281 -16.624 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.831 17.590 -18.048 1.00 0.00 H new ATOM 0 HG LEU A 65 11.683 18.350 -17.198 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.450 20.610 -17.712 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.652 19.794 -19.077 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.786 21.050 -18.162 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.847 20.146 -15.448 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.107 20.458 -15.655 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.661 18.886 -15.031 1.00 0.00 H new ATOM 717 N TYR A 66 6.495 19.107 -19.573 1.00 0.00 N ATOM 718 CA TYR A 66 5.338 18.389 -20.128 1.00 0.00 C ATOM 719 C TYR A 66 4.800 19.035 -21.423 1.00 0.00 C ATOM 720 O TYR A 66 5.123 20.186 -21.732 1.00 0.00 O ATOM 721 CB TYR A 66 4.237 18.305 -19.053 1.00 0.00 C ATOM 722 CG TYR A 66 3.595 19.634 -18.679 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.254 20.536 -17.817 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.324 19.963 -19.188 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.646 21.760 -17.469 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.715 21.185 -18.849 1.00 0.00 C ATOM 727 CZ TYR A 66 2.373 22.088 -17.988 1.00 0.00 C ATOM 728 OH TYR A 66 1.772 23.267 -17.662 1.00 0.00 O ATOM 0 H TYR A 66 6.476 20.112 -19.744 1.00 0.00 H new ATOM 0 HA TYR A 66 5.663 17.386 -20.406 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.458 17.630 -19.406 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.662 17.859 -18.154 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.228 20.288 -17.422 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.813 19.273 -19.843 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.153 22.446 -16.806 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.742 21.432 -19.248 1.00 0.00 H new ATOM 0 HH TYR A 66 0.902 23.326 -18.110 1.00 0.00 H new ATOM 738 N ASP A 67 3.974 18.308 -22.186 1.00 0.00 N ATOM 739 CA ASP A 67 3.302 18.833 -23.390 1.00 0.00 C ATOM 740 C ASP A 67 1.946 19.485 -23.061 1.00 0.00 C ATOM 741 O ASP A 67 1.176 18.959 -22.259 1.00 0.00 O ATOM 742 CB ASP A 67 3.111 17.718 -24.423 1.00 0.00 C ATOM 743 CG ASP A 67 2.570 18.279 -25.745 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.383 18.674 -26.615 1.00 0.00 O ATOM 745 OD2 ASP A 67 1.330 18.368 -25.888 1.00 0.00 O ATOM 0 H ASP A 67 3.749 17.333 -21.988 1.00 0.00 H new ATOM 0 HA ASP A 67 3.946 19.607 -23.807 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.061 17.214 -24.600 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.421 16.970 -24.032 1.00 0.00 H new ATOM 750 N GLN A 68 1.615 20.610 -23.706 1.00 0.00 N ATOM 751 CA GLN A 68 0.394 21.364 -23.411 1.00 0.00 C ATOM 752 C GLN A 68 -0.924 20.683 -23.827 1.00 0.00 C ATOM 753 O GLN A 68 -1.973 21.004 -23.264 1.00 0.00 O ATOM 754 CB GLN A 68 0.530 22.779 -23.999 1.00 0.00 C ATOM 755 CG GLN A 68 0.426 22.831 -25.537 1.00 0.00 C ATOM 756 CD GLN A 68 0.621 24.233 -26.124 1.00 0.00 C ATOM 757 OE1 GLN A 68 0.801 25.233 -25.436 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.591 24.368 -27.434 1.00 0.00 N ATOM 0 H GLN A 68 2.185 21.021 -24.445 1.00 0.00 H new ATOM 0 HA GLN A 68 0.310 21.411 -22.325 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.244 23.415 -23.571 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.490 23.197 -23.695 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.172 22.161 -25.965 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.551 22.454 -25.839 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.443 23.552 -28.028 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.716 25.289 -27.855 1.00 0.00 H new ATOM 767 N GLN A 69 -0.884 19.739 -24.772 1.00 0.00 N ATOM 768 CA GLN A 69 -2.029 18.929 -25.207 1.00 0.00 C ATOM 769 C GLN A 69 -1.958 17.503 -24.641 1.00 0.00 C ATOM 770 O GLN A 69 -2.988 16.918 -24.302 1.00 0.00 O ATOM 771 CB GLN A 69 -2.084 18.949 -26.746 1.00 0.00 C ATOM 772 CG GLN A 69 -3.360 18.319 -27.330 1.00 0.00 C ATOM 773 CD GLN A 69 -3.182 16.878 -27.815 1.00 0.00 C ATOM 774 OE1 GLN A 69 -2.852 16.617 -28.966 1.00 0.00 O ATOM 775 NE2 GLN A 69 -3.402 15.886 -26.978 1.00 0.00 N ATOM 0 H GLN A 69 -0.026 19.509 -25.273 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.953 19.355 -24.816 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.009 19.981 -27.090 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.216 18.419 -27.138 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.143 18.341 -26.572 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.706 18.931 -28.163 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.677 16.082 -26.016 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.297 14.921 -27.292 1.00 0.00 H new ATOM 784 N GLU A 70 -0.752 16.954 -24.493 1.00 0.00 N ATOM 785 CA GLU A 70 -0.486 15.647 -23.871 1.00 0.00 C ATOM 786 C GLU A 70 0.034 15.843 -22.439 1.00 0.00 C ATOM 787 O GLU A 70 1.169 15.508 -22.111 1.00 0.00 O ATOM 788 CB GLU A 70 0.419 14.770 -24.758 1.00 0.00 C ATOM 789 CG GLU A 70 -0.260 14.396 -26.081 1.00 0.00 C ATOM 790 CD GLU A 70 0.565 13.343 -26.844 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.348 12.125 -26.626 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.421 13.718 -27.682 1.00 0.00 O ATOM 0 H GLU A 70 0.098 17.419 -24.812 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.418 15.088 -23.788 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.348 15.301 -24.965 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.685 13.861 -24.218 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.259 14.008 -25.884 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.379 15.287 -26.698 1.00 0.00 H new ATOM 799 N GLN A 71 -0.806 16.417 -21.570 1.00 0.00 N ATOM 800 CA GLN A 71 -0.408 16.820 -20.210 1.00 0.00 C ATOM 801 C GLN A 71 -0.071 15.621 -19.301 1.00 0.00 C ATOM 802 O GLN A 71 0.684 15.763 -18.339 1.00 0.00 O ATOM 803 CB GLN A 71 -1.495 17.721 -19.598 1.00 0.00 C ATOM 804 CG GLN A 71 -1.682 19.020 -20.408 1.00 0.00 C ATOM 805 CD GLN A 71 -2.748 19.967 -19.854 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.254 19.836 -18.744 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.131 20.972 -20.615 1.00 0.00 N ATOM 0 H GLN A 71 -1.782 16.617 -21.787 1.00 0.00 H new ATOM 0 HA GLN A 71 0.518 17.389 -20.288 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.439 17.177 -19.559 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.227 17.968 -18.571 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.730 19.549 -20.447 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.944 18.759 -21.433 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.721 21.096 -21.541 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.838 21.626 -20.279 1.00 0.00 H new ATOM 816 N HIS A 72 -0.559 14.424 -19.652 1.00 0.00 N ATOM 817 CA HIS A 72 -0.194 13.131 -19.056 1.00 0.00 C ATOM 818 C HIS A 72 1.208 12.636 -19.457 1.00 0.00 C ATOM 819 O HIS A 72 1.684 11.646 -18.899 1.00 0.00 O ATOM 820 CB HIS A 72 -1.249 12.103 -19.492 1.00 0.00 C ATOM 821 CG HIS A 72 -1.311 11.924 -20.994 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.027 12.738 -21.880 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.626 10.988 -21.712 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.776 12.252 -23.108 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.930 11.210 -23.038 1.00 0.00 N ATOM 0 H HIS A 72 -1.252 14.326 -20.394 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.166 13.257 -17.974 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.028 11.143 -19.025 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.227 12.417 -19.128 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.027 10.223 -21.319 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.195 12.644 -24.023 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.574 10.675 -23.830 1.00 0.00 H new ATOM 833 N MET A 73 1.853 13.284 -20.432 1.00 0.00 N ATOM 834 CA MET A 73 3.162 12.936 -20.985 1.00 0.00 C ATOM 835 C MET A 73 4.234 13.926 -20.504 1.00 0.00 C ATOM 836 O MET A 73 4.074 15.146 -20.601 1.00 0.00 O ATOM 837 CB MET A 73 3.067 12.901 -22.521 1.00 0.00 C ATOM 838 CG MET A 73 4.282 12.268 -23.166 1.00 0.00 C ATOM 839 SD MET A 73 4.363 10.485 -22.928 1.00 0.00 S ATOM 840 CE MET A 73 6.071 10.356 -23.446 1.00 0.00 C ATOM 0 H MET A 73 1.453 14.109 -20.879 1.00 0.00 H new ATOM 0 HA MET A 73 3.459 11.948 -20.632 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.175 12.347 -22.813 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.949 13.917 -22.897 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.273 12.486 -24.234 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.183 12.724 -22.755 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.212 9.433 -24.009 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.325 11.208 -24.077 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.718 10.348 -22.569 1.00 0.00 H new ATOM 850 N VAL A 74 5.347 13.396 -19.995 1.00 0.00 N ATOM 851 CA VAL A 74 6.472 14.156 -19.446 1.00 0.00 C ATOM 852 C VAL A 74 7.562 14.280 -20.508 1.00 0.00 C ATOM 853 O VAL A 74 7.868 13.320 -21.213 1.00 0.00 O ATOM 854 CB VAL A 74 6.978 13.512 -18.137 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.204 14.227 -17.562 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.874 13.561 -17.073 1.00 0.00 C ATOM 0 H VAL A 74 5.496 12.388 -19.952 1.00 0.00 H new ATOM 0 HA VAL A 74 6.150 15.164 -19.184 1.00 0.00 H new ATOM 0 HB VAL A 74 7.254 12.487 -18.385 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.516 13.732 -16.643 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.018 14.194 -18.286 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.952 15.265 -17.347 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.236 13.105 -16.151 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.599 14.598 -16.881 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.001 13.014 -17.429 1.00 0.00 H new ATOM 866 N TYR A 75 8.146 15.471 -20.602 1.00 0.00 N ATOM 867 CA TYR A 75 9.149 15.891 -21.579 1.00 0.00 C ATOM 868 C TYR A 75 10.293 16.656 -20.902 1.00 0.00 C ATOM 869 O TYR A 75 10.531 17.845 -21.106 1.00 0.00 O ATOM 870 CB TYR A 75 8.477 16.652 -22.729 1.00 0.00 C ATOM 871 CG TYR A 75 7.817 15.702 -23.704 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.619 14.769 -24.388 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.423 15.709 -23.893 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.033 13.842 -25.266 1.00 0.00 C ATOM 875 CE2 TYR A 75 5.834 14.798 -24.791 1.00 0.00 C ATOM 876 CZ TYR A 75 6.637 13.860 -25.480 1.00 0.00 C ATOM 877 OH TYR A 75 6.057 12.978 -26.342 1.00 0.00 O ATOM 0 H TYR A 75 7.915 16.222 -19.952 1.00 0.00 H new ATOM 0 HA TYR A 75 9.618 15.014 -22.025 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.733 17.340 -22.327 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.219 17.255 -23.252 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.688 14.766 -24.237 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.806 16.411 -23.351 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.649 13.117 -25.777 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.766 14.816 -24.954 1.00 0.00 H new ATOM 0 HH TYR A 75 5.089 13.132 -26.366 1.00 0.00 H new ATOM 887 N CYS A 76 11.028 15.906 -20.090 1.00 0.00 N ATOM 888 CA CYS A 76 12.313 16.257 -19.460 1.00 0.00 C ATOM 889 C CYS A 76 13.494 16.270 -20.472 1.00 0.00 C ATOM 890 O CYS A 76 14.606 15.872 -20.122 1.00 0.00 O ATOM 891 CB CYS A 76 12.570 15.264 -18.306 1.00 0.00 C ATOM 892 SG CYS A 76 11.385 15.429 -16.940 1.00 0.00 S ATOM 0 H CYS A 76 10.727 14.967 -19.830 1.00 0.00 H new ATOM 0 HA CYS A 76 12.250 17.275 -19.074 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.526 14.247 -18.695 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.579 15.416 -17.923 1.00 0.00 H new ATOM 0 HG CYS A 76 11.667 14.561 -16.014 1.00 0.00 H new ATOM 898 N GLY A 77 13.265 16.733 -21.711 1.00 0.00 N ATOM 899 CA GLY A 77 14.152 16.630 -22.890 1.00 0.00 C ATOM 900 C GLY A 77 15.646 16.926 -22.688 1.00 0.00 C ATOM 901 O GLY A 77 16.491 16.254 -23.284 1.00 0.00 O ATOM 0 H GLY A 77 12.399 17.223 -21.935 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.061 15.620 -23.291 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.775 17.311 -23.653 1.00 0.00 H new ATOM 905 N GLY A 78 15.974 17.889 -21.824 1.00 0.00 N ATOM 906 CA GLY A 78 17.341 18.191 -21.374 1.00 0.00 C ATOM 907 C GLY A 78 17.414 18.521 -19.879 1.00 0.00 C ATOM 908 O GLY A 78 18.273 19.300 -19.461 1.00 0.00 O ATOM 0 H GLY A 78 15.276 18.502 -21.403 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.985 17.337 -21.585 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.730 19.033 -21.947 1.00 0.00 H new ATOM 912 N ASP A 79 16.476 17.999 -19.079 1.00 0.00 N ATOM 913 CA ASP A 79 16.297 18.397 -17.676 1.00 0.00 C ATOM 914 C ASP A 79 17.097 17.536 -16.689 1.00 0.00 C ATOM 915 O ASP A 79 17.255 16.334 -16.905 1.00 0.00 O ATOM 916 CB ASP A 79 14.811 18.357 -17.316 1.00 0.00 C ATOM 917 CG ASP A 79 14.583 19.033 -15.958 1.00 0.00 C ATOM 918 OD1 ASP A 79 14.700 20.278 -15.877 1.00 0.00 O ATOM 919 OD2 ASP A 79 14.368 18.291 -14.977 1.00 0.00 O ATOM 0 H ASP A 79 15.816 17.285 -19.388 1.00 0.00 H new ATOM 0 HA ASP A 79 16.685 19.411 -17.586 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.228 18.862 -18.086 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.464 17.324 -17.280 1.00 0.00 H new ATOM 924 N LEU A 80 17.519 18.121 -15.559 1.00 0.00 N ATOM 925 CA LEU A 80 18.201 17.396 -14.480 1.00 0.00 C ATOM 926 C LEU A 80 17.421 16.168 -13.999 1.00 0.00 C ATOM 927 O LEU A 80 18.040 15.126 -13.807 1.00 0.00 O ATOM 928 CB LEU A 80 18.460 18.325 -13.278 1.00 0.00 C ATOM 929 CG LEU A 80 19.593 19.345 -13.478 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.661 20.271 -12.263 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.966 18.687 -13.646 1.00 0.00 C ATOM 0 H LEU A 80 17.396 19.115 -15.368 1.00 0.00 H new ATOM 0 HA LEU A 80 19.145 17.050 -14.901 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.541 18.865 -13.051 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.693 17.712 -12.407 1.00 0.00 H new ATOM 0 HG LEU A 80 19.364 19.892 -14.393 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.464 20.995 -12.402 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.713 20.797 -12.153 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.855 19.682 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.724 19.458 -13.783 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.200 18.102 -12.757 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.952 18.033 -14.518 1.00 0.00 H new ATOM 943 N LEU A 81 16.092 16.242 -13.852 1.00 0.00 N ATOM 944 CA LEU A 81 15.288 15.082 -13.456 1.00 0.00 C ATOM 945 C LEU A 81 15.327 13.989 -14.535 1.00 0.00 C ATOM 946 O LEU A 81 15.520 12.826 -14.200 1.00 0.00 O ATOM 947 CB LEU A 81 13.854 15.536 -13.112 1.00 0.00 C ATOM 948 CG LEU A 81 12.880 14.409 -12.714 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.361 13.589 -11.514 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.518 15.009 -12.362 1.00 0.00 C ATOM 0 H LEU A 81 15.552 17.094 -14.002 1.00 0.00 H new ATOM 0 HA LEU A 81 15.714 14.634 -12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.905 16.254 -12.294 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.442 16.062 -13.973 1.00 0.00 H new ATOM 0 HG LEU A 81 12.817 13.741 -13.573 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.630 12.813 -11.287 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.319 13.126 -11.750 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.477 14.243 -10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.831 14.211 -12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.630 15.702 -11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.121 15.542 -13.226 1.00 0.00 H new ATOM 962 N GLY A 82 15.216 14.344 -15.820 1.00 0.00 N ATOM 963 CA GLY A 82 15.274 13.372 -16.930 1.00 0.00 C ATOM 964 C GLY A 82 16.633 12.671 -17.046 1.00 0.00 C ATOM 965 O GLY A 82 16.716 11.444 -17.112 1.00 0.00 O ATOM 0 H GLY A 82 15.084 15.308 -16.124 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.496 12.622 -16.789 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.056 13.886 -17.866 1.00 0.00 H new ATOM 969 N GLU A 83 17.712 13.451 -17.011 1.00 0.00 N ATOM 970 CA GLU A 83 19.103 12.971 -17.027 1.00 0.00 C ATOM 971 C GLU A 83 19.396 12.051 -15.838 1.00 0.00 C ATOM 972 O GLU A 83 19.925 10.949 -16.004 1.00 0.00 O ATOM 973 CB GLU A 83 20.045 14.177 -16.942 1.00 0.00 C ATOM 974 CG GLU A 83 19.960 15.117 -18.144 1.00 0.00 C ATOM 975 CD GLU A 83 20.929 14.698 -19.264 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.602 13.755 -20.025 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.023 15.302 -19.393 1.00 0.00 O ATOM 0 H GLU A 83 17.646 14.468 -16.969 1.00 0.00 H new ATOM 0 HA GLU A 83 19.255 12.410 -17.949 1.00 0.00 H new ATOM 0 HB2 GLU A 83 19.818 14.740 -16.037 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.070 13.819 -16.846 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.940 15.124 -18.529 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.188 16.135 -17.827 1.00 0.00 H new ATOM 984 N LEU A 84 19.006 12.498 -14.642 1.00 0.00 N ATOM 985 CA LEU A 84 19.156 11.744 -13.394 1.00 0.00 C ATOM 986 C LEU A 84 18.337 10.442 -13.381 1.00 0.00 C ATOM 987 O LEU A 84 18.840 9.409 -12.932 1.00 0.00 O ATOM 988 CB LEU A 84 18.766 12.663 -12.223 1.00 0.00 C ATOM 989 CG LEU A 84 18.913 12.050 -10.824 1.00 0.00 C ATOM 990 CD1 LEU A 84 20.348 11.611 -10.542 1.00 0.00 C ATOM 991 CD2 LEU A 84 18.408 13.048 -9.785 1.00 0.00 C ATOM 0 H LEU A 84 18.569 13.410 -14.511 1.00 0.00 H new ATOM 0 HA LEU A 84 20.196 11.433 -13.298 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.378 13.564 -12.272 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.730 12.974 -12.357 1.00 0.00 H new ATOM 0 HG LEU A 84 18.307 11.146 -10.769 1.00 0.00 H new ATOM 0 HD11 LEU A 84 20.408 11.183 -9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 84 20.651 10.863 -11.275 1.00 0.00 H new ATOM 0 HD13 LEU A 84 21.012 12.473 -10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.510 12.618 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 84 18.994 13.965 -9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.359 13.274 -9.977 1.00 0.00 H new ATOM 1003 N LEU A 85 17.100 10.470 -13.891 1.00 0.00 N ATOM 1004 CA LEU A 85 16.242 9.283 -13.961 1.00 0.00 C ATOM 1005 C LEU A 85 16.658 8.314 -15.079 1.00 0.00 C ATOM 1006 O LEU A 85 16.393 7.115 -14.994 1.00 0.00 O ATOM 1007 CB LEU A 85 14.758 9.703 -13.989 1.00 0.00 C ATOM 1008 CG LEU A 85 14.032 9.870 -15.335 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.332 8.562 -15.718 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.904 10.897 -15.221 1.00 0.00 C ATOM 0 H LEU A 85 16.667 11.314 -14.266 1.00 0.00 H new ATOM 0 HA LEU A 85 16.380 8.696 -13.053 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.201 8.966 -13.410 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.679 10.652 -13.458 1.00 0.00 H new ATOM 0 HG LEU A 85 14.784 10.173 -16.063 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.820 8.689 -16.672 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.071 7.766 -15.806 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.606 8.299 -14.949 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.405 10.998 -16.185 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.184 10.565 -14.473 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.318 11.861 -14.924 1.00 0.00 H new ATOM 1022 N GLY A 86 17.336 8.832 -16.106 1.00 0.00 N ATOM 1023 CA GLY A 86 17.845 8.070 -17.250 1.00 0.00 C ATOM 1024 C GLY A 86 16.855 7.949 -18.415 1.00 0.00 C ATOM 1025 O GLY A 86 17.159 7.268 -19.397 1.00 0.00 O ATOM 0 H GLY A 86 17.553 9.827 -16.167 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.758 8.544 -17.611 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.117 7.070 -16.914 1.00 0.00 H new ATOM 1029 N ARG A 87 15.692 8.615 -18.332 1.00 0.00 N ATOM 1030 CA ARG A 87 14.700 8.729 -19.417 1.00 0.00 C ATOM 1031 C ARG A 87 14.206 10.173 -19.505 1.00 0.00 C ATOM 1032 O ARG A 87 13.700 10.721 -18.531 1.00 0.00 O ATOM 1033 CB ARG A 87 13.530 7.736 -19.192 1.00 0.00 C ATOM 1034 CG ARG A 87 13.248 6.816 -20.390 1.00 0.00 C ATOM 1035 CD ARG A 87 14.283 5.690 -20.504 1.00 0.00 C ATOM 1036 NE ARG A 87 14.008 4.827 -21.672 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.872 4.398 -22.579 1.00 0.00 C ATOM 1038 NH1 ARG A 87 16.138 4.708 -22.544 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.471 3.634 -23.555 1.00 0.00 N ATOM 0 H ARG A 87 15.406 9.104 -17.484 1.00 0.00 H new ATOM 0 HA ARG A 87 15.167 8.467 -20.367 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.752 7.121 -18.320 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.627 8.301 -18.962 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.252 6.385 -20.290 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.249 7.404 -21.308 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.282 6.118 -20.592 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.273 5.089 -19.594 1.00 0.00 H new ATOM 0 HE ARG A 87 13.041 4.527 -21.793 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.497 5.303 -21.797 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.769 4.356 -23.263 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.489 3.365 -23.622 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.139 3.305 -24.252 1.00 0.00 H new ATOM 1053 N GLN A 88 14.328 10.788 -20.679 1.00 0.00 N ATOM 1054 CA GLN A 88 13.941 12.189 -20.910 1.00 0.00 C ATOM 1055 C GLN A 88 12.437 12.342 -21.218 1.00 0.00 C ATOM 1056 O GLN A 88 11.931 13.461 -21.277 1.00 0.00 O ATOM 1057 CB GLN A 88 14.842 12.807 -21.998 1.00 0.00 C ATOM 1058 CG GLN A 88 16.308 13.009 -21.558 1.00 0.00 C ATOM 1059 CD GLN A 88 17.087 11.708 -21.342 1.00 0.00 C ATOM 1060 OE1 GLN A 88 16.926 10.716 -22.043 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.934 11.640 -20.338 1.00 0.00 N ATOM 0 H GLN A 88 14.702 10.328 -21.509 1.00 0.00 H new ATOM 0 HA GLN A 88 14.098 12.747 -19.987 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.823 12.165 -22.879 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.427 13.770 -22.296 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.822 13.606 -22.312 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.321 13.584 -20.632 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.084 12.454 -19.741 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.441 10.774 -20.156 1.00 0.00 H new ATOM 1070 N SER A 89 11.704 11.235 -21.369 1.00 0.00 N ATOM 1071 CA SER A 89 10.238 11.211 -21.472 1.00 0.00 C ATOM 1072 C SER A 89 9.641 9.906 -20.922 1.00 0.00 C ATOM 1073 O SER A 89 10.237 8.830 -21.023 1.00 0.00 O ATOM 1074 CB SER A 89 9.796 11.462 -22.923 1.00 0.00 C ATOM 1075 OG SER A 89 10.253 10.454 -23.814 1.00 0.00 O ATOM 0 H SER A 89 12.122 10.306 -21.425 1.00 0.00 H new ATOM 0 HA SER A 89 9.851 12.018 -20.850 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.708 11.512 -22.964 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.173 12.431 -23.252 1.00 0.00 H new ATOM 0 HG SER A 89 9.946 10.656 -24.722 1.00 0.00 H new ATOM 1081 N PHE A 90 8.467 10.025 -20.300 1.00 0.00 N ATOM 1082 CA PHE A 90 7.630 8.950 -19.742 1.00 0.00 C ATOM 1083 C PHE A 90 6.196 9.493 -19.569 1.00 0.00 C ATOM 1084 O PHE A 90 5.956 10.670 -19.839 1.00 0.00 O ATOM 1085 CB PHE A 90 8.219 8.449 -18.405 1.00 0.00 C ATOM 1086 CG PHE A 90 8.268 9.475 -17.285 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.387 10.321 -17.138 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.191 9.581 -16.382 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.412 11.282 -16.111 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.219 10.542 -15.357 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.326 11.398 -15.227 1.00 0.00 C ATOM 0 H PHE A 90 8.041 10.941 -20.160 1.00 0.00 H new ATOM 0 HA PHE A 90 7.607 8.095 -20.418 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.631 7.596 -18.067 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.231 8.087 -18.587 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.225 10.231 -17.814 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.341 8.921 -16.478 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.268 11.932 -16.002 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.390 10.623 -14.669 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.342 12.145 -14.447 1.00 0.00 H new ATOM 1101 N SER A 91 5.233 8.685 -19.121 1.00 0.00 N ATOM 1102 CA SER A 91 3.851 9.134 -18.907 1.00 0.00 C ATOM 1103 C SER A 91 3.264 8.691 -17.573 1.00 0.00 C ATOM 1104 O SER A 91 3.778 7.800 -16.899 1.00 0.00 O ATOM 1105 CB SER A 91 2.985 8.662 -20.076 1.00 0.00 C ATOM 1106 OG SER A 91 2.638 7.298 -19.933 1.00 0.00 O ATOM 0 H SER A 91 5.386 7.702 -18.896 1.00 0.00 H new ATOM 0 HA SER A 91 3.864 10.223 -18.866 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.080 9.267 -20.130 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.522 8.808 -21.013 1.00 0.00 H new ATOM 0 HG SER A 91 2.083 7.020 -20.692 1.00 0.00 H new ATOM 1112 N VAL A 92 2.137 9.301 -17.209 1.00 0.00 N ATOM 1113 CA VAL A 92 1.316 8.908 -16.056 1.00 0.00 C ATOM 1114 C VAL A 92 0.693 7.509 -16.254 1.00 0.00 C ATOM 1115 O VAL A 92 0.429 6.804 -15.277 1.00 0.00 O ATOM 1116 CB VAL A 92 0.260 10.006 -15.817 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.702 9.658 -14.687 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.931 11.336 -15.442 1.00 0.00 C ATOM 0 H VAL A 92 1.758 10.100 -17.716 1.00 0.00 H new ATOM 0 HA VAL A 92 1.938 8.822 -15.165 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.293 10.090 -16.753 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.424 10.465 -14.562 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.228 8.735 -14.929 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.143 9.525 -13.761 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.167 12.096 -15.278 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.514 11.205 -14.530 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.589 11.652 -16.251 1.00 0.00 H new ATOM 1128 N LYS A 93 0.512 7.069 -17.511 1.00 0.00 N ATOM 1129 CA LYS A 93 0.039 5.732 -17.895 1.00 0.00 C ATOM 1130 C LYS A 93 1.151 4.669 -17.853 1.00 0.00 C ATOM 1131 O LYS A 93 0.875 3.511 -17.536 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.605 5.872 -19.288 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.157 4.552 -19.832 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.894 4.765 -21.164 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.498 3.468 -21.726 1.00 0.00 C ATOM 1136 NZ LYS A 93 -1.464 2.515 -22.219 1.00 0.00 N ATOM 0 H LYS A 93 0.700 7.662 -18.320 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.694 5.369 -17.175 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.413 6.602 -19.236 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.135 6.264 -19.986 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.340 3.844 -19.974 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.837 4.111 -19.103 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.688 5.498 -21.021 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.201 5.184 -21.894 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.092 2.984 -20.951 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.178 3.713 -22.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.927 1.659 -22.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.913 2.963 -22.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.829 2.256 -21.437 1.00 0.00 H new ATOM 1150 N ASP A 94 2.398 5.055 -18.130 1.00 0.00 N ATOM 1151 CA ASP A 94 3.581 4.188 -18.119 1.00 0.00 C ATOM 1152 C ASP A 94 4.776 4.868 -17.407 1.00 0.00 C ATOM 1153 O ASP A 94 5.752 5.269 -18.054 1.00 0.00 O ATOM 1154 CB ASP A 94 3.902 3.754 -19.560 1.00 0.00 C ATOM 1155 CG ASP A 94 5.080 2.763 -19.636 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.337 2.031 -18.648 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.732 2.684 -20.706 1.00 0.00 O ATOM 0 H ASP A 94 2.622 6.019 -18.378 1.00 0.00 H new ATOM 0 HA ASP A 94 3.372 3.290 -17.538 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.018 3.295 -20.002 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.136 4.636 -20.157 1.00 0.00 H new ATOM 1162 N PRO A 95 4.723 5.003 -16.065 1.00 0.00 N ATOM 1163 CA PRO A 95 5.781 5.617 -15.257 1.00 0.00 C ATOM 1164 C PRO A 95 6.950 4.658 -14.942 1.00 0.00 C ATOM 1165 O PRO A 95 7.785 4.953 -14.086 1.00 0.00 O ATOM 1166 CB PRO A 95 5.062 6.107 -13.993 1.00 0.00 C ATOM 1167 CG PRO A 95 3.985 5.041 -13.796 1.00 0.00 C ATOM 1168 CD PRO A 95 3.557 4.737 -15.228 1.00 0.00 C ATOM 0 HA PRO A 95 6.270 6.430 -15.794 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.736 6.166 -13.139 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.632 7.099 -14.129 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.376 4.157 -13.293 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.155 5.409 -13.194 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.235 3.700 -15.327 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.714 5.362 -15.524 1.00 0.00 H new ATOM 1176 N SER A 96 7.019 3.496 -15.603 1.00 0.00 N ATOM 1177 CA SER A 96 7.955 2.397 -15.309 1.00 0.00 C ATOM 1178 C SER A 96 9.432 2.816 -15.156 1.00 0.00 C ATOM 1179 O SER A 96 10.026 2.469 -14.127 1.00 0.00 O ATOM 1180 CB SER A 96 7.805 1.300 -16.372 1.00 0.00 C ATOM 1181 OG SER A 96 8.614 0.177 -16.056 1.00 0.00 O ATOM 0 H SER A 96 6.402 3.285 -16.387 1.00 0.00 H new ATOM 0 HA SER A 96 7.677 2.021 -14.325 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.761 0.994 -16.440 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.086 1.693 -17.349 1.00 0.00 H new ATOM 0 HG SER A 96 8.502 -0.511 -16.745 1.00 0.00 H new ATOM 1187 N PRO A 97 10.046 3.610 -16.067 1.00 0.00 N ATOM 1188 CA PRO A 97 11.437 4.039 -15.893 1.00 0.00 C ATOM 1189 C PRO A 97 11.640 4.947 -14.672 1.00 0.00 C ATOM 1190 O PRO A 97 12.717 4.919 -14.081 1.00 0.00 O ATOM 1191 CB PRO A 97 11.826 4.753 -17.189 1.00 0.00 C ATOM 1192 CG PRO A 97 10.490 5.238 -17.747 1.00 0.00 C ATOM 1193 CD PRO A 97 9.534 4.120 -17.337 1.00 0.00 C ATOM 0 HA PRO A 97 12.072 3.174 -15.701 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.507 5.583 -17.001 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.329 4.079 -17.882 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.197 6.198 -17.322 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.525 5.366 -18.829 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.517 4.495 -17.227 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.504 3.334 -18.091 1.00 0.00 H new ATOM 1201 N LEU A 98 10.626 5.713 -14.244 1.00 0.00 N ATOM 1202 CA LEU A 98 10.712 6.537 -13.034 1.00 0.00 C ATOM 1203 C LEU A 98 10.639 5.685 -11.761 1.00 0.00 C ATOM 1204 O LEU A 98 11.434 5.912 -10.854 1.00 0.00 O ATOM 1205 CB LEU A 98 9.664 7.663 -13.085 1.00 0.00 C ATOM 1206 CG LEU A 98 9.781 8.630 -11.885 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.532 10.066 -12.329 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.763 8.302 -10.791 1.00 0.00 C ATOM 0 H LEU A 98 9.729 5.777 -14.725 1.00 0.00 H new ATOM 0 HA LEU A 98 11.690 7.017 -12.999 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.781 8.223 -14.013 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.665 7.226 -13.100 1.00 0.00 H new ATOM 0 HG LEU A 98 10.791 8.516 -11.491 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.619 10.732 -11.471 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.268 10.347 -13.082 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.531 10.148 -12.752 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.878 9.004 -9.965 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.755 8.381 -11.197 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.931 7.287 -10.430 1.00 0.00 H new ATOM 1220 N TYR A 99 9.778 4.665 -11.692 1.00 0.00 N ATOM 1221 CA TYR A 99 9.812 3.716 -10.566 1.00 0.00 C ATOM 1222 C TYR A 99 11.137 2.950 -10.498 1.00 0.00 C ATOM 1223 O TYR A 99 11.680 2.755 -9.410 1.00 0.00 O ATOM 1224 CB TYR A 99 8.640 2.735 -10.629 1.00 0.00 C ATOM 1225 CG TYR A 99 7.359 3.329 -10.074 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.101 3.249 -8.690 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.460 4.011 -10.915 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.943 3.839 -8.149 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.303 4.608 -10.377 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.037 4.518 -8.992 1.00 0.00 C ATOM 1231 OH TYR A 99 3.911 5.076 -8.466 1.00 0.00 O ATOM 0 H TYR A 99 9.058 4.473 -12.389 1.00 0.00 H new ATOM 0 HA TYR A 99 9.722 4.310 -9.656 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.478 2.432 -11.663 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.893 1.835 -10.069 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.795 2.733 -8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.657 4.077 -11.975 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.748 3.772 -7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.618 5.135 -11.024 1.00 0.00 H new ATOM 0 HH TYR A 99 3.395 5.506 -9.180 1.00 0.00 H new ATOM 1241 N ASP A 100 11.703 2.577 -11.645 1.00 0.00 N ATOM 1242 CA ASP A 100 13.017 1.939 -11.687 1.00 0.00 C ATOM 1243 C ASP A 100 14.126 2.892 -11.208 1.00 0.00 C ATOM 1244 O ASP A 100 14.989 2.493 -10.424 1.00 0.00 O ATOM 1245 CB ASP A 100 13.288 1.449 -13.114 1.00 0.00 C ATOM 1246 CG ASP A 100 14.509 0.519 -13.190 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.487 -0.567 -12.564 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.492 0.866 -13.888 1.00 0.00 O ATOM 0 H ASP A 100 11.270 2.706 -12.560 1.00 0.00 H new ATOM 0 HA ASP A 100 13.019 1.089 -11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.410 0.923 -13.488 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.447 2.308 -13.766 1.00 0.00 H new ATOM 1253 N MET A 101 14.062 4.173 -11.602 1.00 0.00 N ATOM 1254 CA MET A 101 14.927 5.236 -11.061 1.00 0.00 C ATOM 1255 C MET A 101 14.789 5.362 -9.542 1.00 0.00 C ATOM 1256 O MET A 101 15.794 5.440 -8.838 1.00 0.00 O ATOM 1257 CB MET A 101 14.693 6.583 -11.786 1.00 0.00 C ATOM 1258 CG MET A 101 14.016 7.739 -11.015 1.00 0.00 C ATOM 1259 SD MET A 101 15.128 8.924 -10.225 1.00 0.00 S ATOM 1260 CE MET A 101 13.874 10.184 -9.878 1.00 0.00 C ATOM 0 H MET A 101 13.405 4.504 -12.309 1.00 0.00 H new ATOM 0 HA MET A 101 15.960 4.948 -11.257 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.661 6.942 -12.135 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.091 6.380 -12.671 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.371 8.281 -11.706 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.371 7.309 -10.248 1.00 0.00 H new ATOM 0 HE1 MET A 101 14.340 11.033 -9.379 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.423 10.516 -10.813 1.00 0.00 H new ATOM 0 HE3 MET A 101 13.103 9.762 -9.233 1.00 0.00 H new ATOM 1270 N LEU A 102 13.562 5.331 -9.020 1.00 0.00 N ATOM 1271 CA LEU A 102 13.281 5.490 -7.601 1.00 0.00 C ATOM 1272 C LEU A 102 13.960 4.352 -6.843 1.00 0.00 C ATOM 1273 O LEU A 102 14.859 4.617 -6.052 1.00 0.00 O ATOM 1274 CB LEU A 102 11.754 5.558 -7.354 1.00 0.00 C ATOM 1275 CG LEU A 102 11.075 6.905 -7.683 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.558 6.762 -7.546 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.502 8.039 -6.750 1.00 0.00 C ATOM 0 H LEU A 102 12.724 5.192 -9.585 1.00 0.00 H new ATOM 0 HA LEU A 102 13.686 6.432 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.275 4.778 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.565 5.325 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 102 11.379 7.155 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.080 7.714 -7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.201 5.998 -8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.311 6.472 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.989 8.957 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.243 7.782 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.579 8.187 -6.826 1.00 0.00 H new ATOM 1289 N ARG A 103 13.657 3.093 -7.174 1.00 0.00 N ATOM 1290 CA ARG A 103 14.180 1.924 -6.442 1.00 0.00 C ATOM 1291 C ARG A 103 15.702 1.711 -6.553 1.00 0.00 C ATOM 1292 O ARG A 103 16.238 0.902 -5.792 1.00 0.00 O ATOM 1293 CB ARG A 103 13.389 0.663 -6.826 1.00 0.00 C ATOM 1294 CG ARG A 103 11.888 0.805 -6.510 1.00 0.00 C ATOM 1295 CD ARG A 103 11.166 -0.538 -6.632 1.00 0.00 C ATOM 1296 NE ARG A 103 11.372 -1.358 -5.420 1.00 0.00 N ATOM 1297 CZ ARG A 103 11.259 -2.666 -5.290 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.979 -3.454 -6.291 1.00 0.00 N ATOM 1299 NH2 ARG A 103 11.428 -3.199 -4.115 1.00 0.00 N ATOM 0 H ARG A 103 13.045 2.851 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 103 14.027 2.139 -5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.518 0.464 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.793 -0.196 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.762 1.198 -5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.437 1.526 -7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.100 -0.370 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.533 -1.075 -7.506 1.00 0.00 H new ATOM 0 HE ARG A 103 11.635 -0.848 -4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.837 -3.064 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.902 -4.460 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.644 -2.607 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.344 -4.209 -3.996 1.00 0.00 H new ATOM 1313 N LYS A 104 16.412 2.442 -7.434 1.00 0.00 N ATOM 1314 CA LYS A 104 17.891 2.480 -7.479 1.00 0.00 C ATOM 1315 C LYS A 104 18.517 3.741 -6.857 1.00 0.00 C ATOM 1316 O LYS A 104 19.723 3.759 -6.615 1.00 0.00 O ATOM 1317 CB LYS A 104 18.392 2.173 -8.902 1.00 0.00 C ATOM 1318 CG LYS A 104 18.371 3.368 -9.870 1.00 0.00 C ATOM 1319 CD LYS A 104 18.798 2.987 -11.297 1.00 0.00 C ATOM 1320 CE LYS A 104 17.724 2.127 -11.976 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.075 1.765 -13.374 1.00 0.00 N ATOM 0 H LYS A 104 15.973 3.030 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 104 18.248 1.685 -6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.412 1.794 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.781 1.374 -9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.366 3.790 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.034 4.147 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.971 3.890 -11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.741 2.441 -11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.574 1.216 -11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.777 2.667 -11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.241 1.364 -13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.389 2.615 -13.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.841 1.062 -13.369 1.00 0.00 H new ATOM 1335 N ASN A 105 17.718 4.775 -6.567 1.00 0.00 N ATOM 1336 CA ASN A 105 18.146 5.969 -5.828 1.00 0.00 C ATOM 1337 C ASN A 105 17.798 5.832 -4.340 1.00 0.00 C ATOM 1338 O ASN A 105 18.681 5.798 -3.484 1.00 0.00 O ATOM 1339 CB ASN A 105 17.472 7.198 -6.456 1.00 0.00 C ATOM 1340 CG ASN A 105 18.237 7.713 -7.660 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.034 8.635 -7.586 1.00 0.00 O ATOM 1342 ND2 ASN A 105 18.011 7.107 -8.794 1.00 0.00 N ATOM 0 H ASN A 105 16.737 4.806 -6.845 1.00 0.00 H new ATOM 0 HA ASN A 105 19.228 6.085 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.456 6.941 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.394 7.989 -5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.504 7.402 -9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.342 6.339 -8.837 1.00 0.00 H new ATOM 1349 N LEU A 106 16.498 5.769 -4.052 1.00 0.00 N ATOM 1350 CA LEU A 106 15.933 5.784 -2.697 1.00 0.00 C ATOM 1351 C LEU A 106 15.391 4.413 -2.256 1.00 0.00 C ATOM 1352 O LEU A 106 15.268 3.483 -3.059 1.00 0.00 O ATOM 1353 CB LEU A 106 14.963 6.986 -2.563 1.00 0.00 C ATOM 1354 CG LEU A 106 13.462 6.899 -2.892 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.946 8.316 -3.137 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.082 6.100 -4.118 1.00 0.00 C ATOM 0 H LEU A 106 15.784 5.704 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 106 16.723 5.952 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.033 7.325 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.370 7.782 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 106 13.026 6.384 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.882 8.280 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.099 8.919 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.488 8.761 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.999 6.115 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.553 6.538 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.419 5.070 -4.000 1.00 0.00 H new ATOM 1368 N VAL A 107 15.077 4.277 -0.964 1.00 0.00 N ATOM 1369 CA VAL A 107 14.347 3.100 -0.442 1.00 0.00 C ATOM 1370 C VAL A 107 12.969 2.971 -1.104 1.00 0.00 C ATOM 1371 O VAL A 107 12.417 3.950 -1.605 1.00 0.00 O ATOM 1372 CB VAL A 107 14.222 3.113 1.096 1.00 0.00 C ATOM 1373 CG1 VAL A 107 15.601 2.896 1.726 1.00 0.00 C ATOM 1374 CG2 VAL A 107 13.574 4.392 1.635 1.00 0.00 C ATOM 0 H VAL A 107 15.315 4.967 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 107 14.940 2.223 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 107 13.556 2.296 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 107 15.510 2.906 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 107 16.001 1.935 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 107 16.274 3.693 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 107 13.515 4.340 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.175 5.254 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 107 12.571 4.494 1.222 1.00 0.00 H new