USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 723 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 64 SER OG : rot -66:sc= 1.29 USER MOD Set 1.2: A 67 SER OG : rot -159:sc= 1.3 USER MOD Set 2.1: A 13 GLN : amide:sc= 1.56 K(o=1.8,f=-3.4!) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.256 K(o=1.8,f=-3.4) USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.291) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.2 (180deg=1.08) USER MOD Single : A 3 GLN : amide:sc= -0.391 K(o=-0.39,f=-5.7!) USER MOD Single : A 4 TYR OH : rot -149:sc= 1.21 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.63! C(o=-3.6!,f=-6.7!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0.822 (180deg=0.781) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -130:sc= 1.98 (180deg=0.0484) USER MOD Single : A 51 ASN : amide:sc= -0.0436 X(o=-0.044,f=-0.12) USER MOD Single : A 54 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD Single : A 55 SER OG : rot -120:sc= 0.722 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.795 K(o=0.79,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 0:sc= 0.962 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.5!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.511 -0.640 -1.626 1.00 0.00 N ATOM 2 CA MET A 1 0.934 -0.315 -1.589 1.00 0.00 C ATOM 3 C MET A 1 1.736 -1.609 -1.743 1.00 0.00 C ATOM 4 O MET A 1 1.400 -2.620 -1.123 1.00 0.00 O ATOM 5 CB MET A 1 1.337 0.434 -0.302 1.00 0.00 C ATOM 6 CG MET A 1 0.523 1.715 -0.050 1.00 0.00 C ATOM 7 SD MET A 1 0.380 2.879 -1.442 1.00 0.00 S ATOM 8 CE MET A 1 2.037 3.611 -1.432 1.00 0.00 C ATOM 0 H1 MET A 1 -1.066 0.237 -1.556 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.736 -1.122 -2.520 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.747 -1.264 -0.828 1.00 0.00 H new ATOM 0 HA MET A 1 1.155 0.361 -2.415 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.217 -0.235 0.550 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.395 0.692 -0.358 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.482 1.425 0.256 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.972 2.244 0.791 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.042 4.509 -2.050 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.313 3.873 -0.411 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.754 2.893 -1.829 1.00 0.00 H new ATOM 20 N LEU A 2 2.768 -1.608 -2.591 1.00 0.00 N ATOM 21 CA LEU A 2 3.500 -2.797 -3.029 1.00 0.00 C ATOM 22 C LEU A 2 4.943 -2.387 -3.347 1.00 0.00 C ATOM 23 O LEU A 2 5.231 -1.194 -3.463 1.00 0.00 O ATOM 24 CB LEU A 2 2.754 -3.354 -4.262 1.00 0.00 C ATOM 25 CG LEU A 2 3.320 -4.609 -4.954 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.359 -5.809 -3.999 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.452 -4.956 -6.172 1.00 0.00 C ATOM 0 H LEU A 2 3.129 -0.749 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 2 3.545 -3.574 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.730 -3.575 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.702 -2.559 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 2 4.341 -4.391 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.764 -6.676 -4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.991 -5.573 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.350 -6.032 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.851 -5.844 -6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.430 -5.150 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.458 -4.121 -6.873 1.00 0.00 H new ATOM 39 N GLN A 3 5.847 -3.357 -3.501 1.00 0.00 N ATOM 40 CA GLN A 3 7.239 -3.146 -3.874 1.00 0.00 C ATOM 41 C GLN A 3 7.616 -4.208 -4.916 1.00 0.00 C ATOM 42 O GLN A 3 7.055 -5.308 -4.916 1.00 0.00 O ATOM 43 CB GLN A 3 8.091 -3.212 -2.588 1.00 0.00 C ATOM 44 CG GLN A 3 9.571 -2.822 -2.728 1.00 0.00 C ATOM 45 CD GLN A 3 10.510 -4.029 -2.710 1.00 0.00 C ATOM 46 OE1 GLN A 3 10.546 -4.830 -3.635 1.00 0.00 O ATOM 47 NE2 GLN A 3 11.280 -4.198 -1.649 1.00 0.00 N ATOM 0 H GLN A 3 5.618 -4.342 -3.364 1.00 0.00 H new ATOM 0 HA GLN A 3 7.414 -2.171 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.635 -2.561 -1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.041 -4.228 -2.197 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.710 -2.274 -3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.841 -2.146 -1.917 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.245 -3.527 -0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.909 -4.999 -1.598 1.00 0.00 H new ATOM 56 N TYR A 4 8.567 -3.902 -5.797 1.00 0.00 N ATOM 57 CA TYR A 4 9.272 -4.920 -6.565 1.00 0.00 C ATOM 58 C TYR A 4 10.751 -4.572 -6.691 1.00 0.00 C ATOM 59 O TYR A 4 11.151 -3.414 -6.529 1.00 0.00 O ATOM 60 CB TYR A 4 8.609 -5.183 -7.936 1.00 0.00 C ATOM 61 CG TYR A 4 8.311 -4.011 -8.864 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.284 -3.039 -9.183 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.057 -3.963 -9.506 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.003 -2.025 -10.114 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.773 -2.961 -10.446 1.00 0.00 C ATOM 66 CZ TYR A 4 7.747 -1.987 -10.754 1.00 0.00 C ATOM 67 OH TYR A 4 7.499 -1.025 -11.677 1.00 0.00 O ATOM 0 H TYR A 4 8.867 -2.948 -5.996 1.00 0.00 H new ATOM 0 HA TYR A 4 9.201 -5.859 -6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.250 -5.876 -8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.667 -5.699 -7.750 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.253 -3.075 -8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.308 -4.705 -9.272 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.748 -1.276 -10.339 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.810 -2.935 -10.934 1.00 0.00 H new ATOM 0 HH TYR A 4 6.545 -0.801 -11.668 1.00 0.00 H new ATOM 77 N ARG A 5 11.540 -5.572 -7.080 1.00 0.00 N ATOM 78 CA ARG A 5 12.870 -5.420 -7.650 1.00 0.00 C ATOM 79 C ARG A 5 12.764 -5.940 -9.080 1.00 0.00 C ATOM 80 O ARG A 5 12.069 -6.931 -9.322 1.00 0.00 O ATOM 81 CB ARG A 5 13.897 -6.199 -6.810 1.00 0.00 C ATOM 82 CG ARG A 5 15.347 -5.756 -7.083 1.00 0.00 C ATOM 83 CD ARG A 5 16.393 -6.660 -6.411 1.00 0.00 C ATOM 84 NE ARG A 5 16.166 -6.835 -4.962 1.00 0.00 N ATOM 85 CZ ARG A 5 16.951 -6.429 -3.954 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.996 -5.627 -4.144 1.00 0.00 N ATOM 87 NH2 ARG A 5 16.679 -6.845 -2.722 1.00 0.00 N ATOM 0 H ARG A 5 11.255 -6.548 -7.002 1.00 0.00 H new ATOM 0 HA ARG A 5 13.214 -4.386 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.673 -6.063 -5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.801 -7.264 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.521 -5.748 -8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.480 -4.733 -6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.384 -7.637 -6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.385 -6.236 -6.568 1.00 0.00 H new ATOM 0 HE ARG A 5 15.310 -7.323 -4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.223 -5.299 -5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.570 -5.340 -3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.884 -7.463 -2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.265 -6.547 -1.942 1.00 0.00 H new ATOM 101 N ILE A 6 13.417 -5.275 -10.023 1.00 0.00 N ATOM 102 CA ILE A 6 13.423 -5.616 -11.436 1.00 0.00 C ATOM 103 C ILE A 6 14.885 -5.593 -11.865 1.00 0.00 C ATOM 104 O ILE A 6 15.626 -4.684 -11.491 1.00 0.00 O ATOM 105 CB ILE A 6 12.518 -4.643 -12.239 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.052 -4.846 -11.796 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.661 -4.830 -13.762 1.00 0.00 C ATOM 108 CD1 ILE A 6 9.983 -4.091 -12.592 1.00 0.00 C ATOM 0 H ILE A 6 13.979 -4.450 -9.814 1.00 0.00 H new ATOM 0 HA ILE A 6 13.004 -6.603 -11.631 1.00 0.00 H new ATOM 0 HB ILE A 6 12.835 -3.622 -12.025 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.825 -5.911 -11.847 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.969 -4.552 -10.750 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.008 -4.126 -14.278 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.695 -4.648 -14.056 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.382 -5.849 -14.031 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.998 -4.317 -12.184 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.167 -3.019 -12.523 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.022 -4.399 -13.637 1.00 0.00 H new ATOM 120 N ILE A 7 15.293 -6.579 -12.657 1.00 0.00 N ATOM 121 CA ILE A 7 16.628 -6.667 -13.232 1.00 0.00 C ATOM 122 C ILE A 7 16.432 -6.502 -14.735 1.00 0.00 C ATOM 123 O ILE A 7 15.456 -7.023 -15.281 1.00 0.00 O ATOM 124 CB ILE A 7 17.302 -8.015 -12.879 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.192 -8.426 -11.390 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.778 -8.018 -13.317 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.748 -7.411 -10.385 1.00 0.00 C ATOM 0 H ILE A 7 14.689 -7.357 -12.922 1.00 0.00 H new ATOM 0 HA ILE A 7 17.294 -5.900 -12.836 1.00 0.00 H new ATOM 0 HB ILE A 7 16.740 -8.765 -13.437 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.142 -8.605 -11.157 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.715 -9.372 -11.252 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.232 -8.975 -13.059 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.838 -7.867 -14.395 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.310 -7.215 -12.808 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.622 -7.795 -9.373 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.807 -7.247 -10.582 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.210 -6.468 -10.485 1.00 0.00 H new ATOM 139 N VAL A 8 17.339 -5.796 -15.408 1.00 0.00 N ATOM 140 CA VAL A 8 17.242 -5.508 -16.832 1.00 0.00 C ATOM 141 C VAL A 8 18.631 -5.720 -17.433 1.00 0.00 C ATOM 142 O VAL A 8 19.639 -5.351 -16.821 1.00 0.00 O ATOM 143 CB VAL A 8 16.715 -4.072 -17.069 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.237 -3.914 -18.518 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.535 -3.680 -16.164 1.00 0.00 C ATOM 0 H VAL A 8 18.173 -5.404 -14.970 1.00 0.00 H new ATOM 0 HA VAL A 8 16.528 -6.173 -17.317 1.00 0.00 H new ATOM 0 HB VAL A 8 17.558 -3.421 -16.837 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.869 -2.900 -18.671 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.067 -4.105 -19.198 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.435 -4.625 -18.716 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.225 -2.660 -16.392 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.701 -4.360 -16.338 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.841 -3.741 -15.120 1.00 0.00 H new ATOM 155 N ASP A 9 18.684 -6.314 -18.622 1.00 0.00 N ATOM 156 CA ASP A 9 19.907 -6.702 -19.310 1.00 0.00 C ATOM 157 C ASP A 9 19.763 -6.430 -20.808 1.00 0.00 C ATOM 158 O ASP A 9 18.649 -6.400 -21.340 1.00 0.00 O ATOM 159 CB ASP A 9 20.175 -8.191 -19.064 1.00 0.00 C ATOM 160 CG ASP A 9 21.442 -8.665 -19.791 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.446 -7.918 -19.772 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.446 -9.785 -20.346 1.00 0.00 O ATOM 0 H ASP A 9 17.843 -6.546 -19.151 1.00 0.00 H new ATOM 0 HA ASP A 9 20.745 -6.120 -18.927 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.280 -8.370 -17.994 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.320 -8.776 -19.403 1.00 0.00 H new ATOM 167 N GLY A 10 20.889 -6.208 -21.481 1.00 0.00 N ATOM 168 CA GLY A 10 20.977 -5.841 -22.883 1.00 0.00 C ATOM 169 C GLY A 10 21.937 -4.669 -23.041 1.00 0.00 C ATOM 170 O GLY A 10 22.789 -4.420 -22.181 1.00 0.00 O ATOM 0 H GLY A 10 21.805 -6.284 -21.039 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.323 -6.691 -23.471 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.991 -5.571 -23.262 1.00 0.00 H new ATOM 174 N ARG A 11 21.772 -3.913 -24.124 1.00 0.00 N ATOM 175 CA ARG A 11 22.323 -2.567 -24.251 1.00 0.00 C ATOM 176 C ARG A 11 21.491 -1.676 -23.325 1.00 0.00 C ATOM 177 O ARG A 11 20.507 -1.093 -23.777 1.00 0.00 O ATOM 178 CB ARG A 11 22.262 -2.161 -25.737 1.00 0.00 C ATOM 179 CG ARG A 11 22.667 -0.709 -26.033 1.00 0.00 C ATOM 180 CD ARG A 11 22.403 -0.371 -27.509 1.00 0.00 C ATOM 181 NE ARG A 11 22.239 1.079 -27.697 1.00 0.00 N ATOM 182 CZ ARG A 11 23.142 1.962 -28.137 1.00 0.00 C ATOM 183 NH1 ARG A 11 24.362 1.582 -28.505 1.00 0.00 N ATOM 184 NH2 ARG A 11 22.785 3.240 -28.190 1.00 0.00 N ATOM 0 H ARG A 11 21.248 -4.220 -24.944 1.00 0.00 H new ATOM 0 HA ARG A 11 23.369 -2.484 -23.955 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.911 -2.826 -26.306 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.246 -2.320 -26.100 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.105 -0.030 -25.391 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.723 -0.565 -25.803 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.230 -0.729 -28.121 1.00 0.00 H new ATOM 0 HD3 ARG A 11 21.507 -0.889 -27.850 1.00 0.00 H new ATOM 0 HE ARG A 11 21.322 1.458 -27.462 1.00 0.00 H new ATOM 0 HH11 ARG A 11 24.627 0.598 -28.455 1.00 0.00 H new ATOM 0 HH12 ARG A 11 25.033 2.274 -28.837 1.00 0.00 H new ATOM 0 HH21 ARG A 11 21.848 3.520 -27.900 1.00 0.00 H new ATOM 0 HH22 ARG A 11 23.448 3.941 -28.520 1.00 0.00 H new ATOM 198 N VAL A 12 21.814 -1.631 -22.031 1.00 0.00 N ATOM 199 CA VAL A 12 21.016 -0.918 -21.025 1.00 0.00 C ATOM 200 C VAL A 12 21.891 -0.099 -20.062 1.00 0.00 C ATOM 201 O VAL A 12 21.385 0.433 -19.076 1.00 0.00 O ATOM 202 CB VAL A 12 20.059 -1.892 -20.294 1.00 0.00 C ATOM 203 CG1 VAL A 12 19.060 -2.546 -21.261 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.791 -2.998 -19.517 1.00 0.00 C ATOM 0 H VAL A 12 22.640 -2.090 -21.647 1.00 0.00 H new ATOM 0 HA VAL A 12 20.395 -0.188 -21.544 1.00 0.00 H new ATOM 0 HB VAL A 12 19.524 -1.270 -19.576 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.407 -3.222 -20.708 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.459 -1.773 -21.741 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.604 -3.108 -22.021 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.061 -3.644 -19.029 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.395 -3.588 -20.206 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.437 -2.547 -18.764 1.00 0.00 H new ATOM 214 N GLN A 13 23.193 0.042 -20.342 1.00 0.00 N ATOM 215 CA GLN A 13 24.091 0.962 -19.646 1.00 0.00 C ATOM 216 C GLN A 13 24.901 1.713 -20.708 1.00 0.00 C ATOM 217 O GLN A 13 25.084 1.211 -21.820 1.00 0.00 O ATOM 218 CB GLN A 13 24.998 0.220 -18.642 1.00 0.00 C ATOM 219 CG GLN A 13 24.188 -0.456 -17.523 1.00 0.00 C ATOM 220 CD GLN A 13 25.028 -0.831 -16.298 1.00 0.00 C ATOM 221 OE1 GLN A 13 25.530 0.043 -15.595 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.166 -2.110 -15.981 1.00 0.00 N ATOM 0 H GLN A 13 23.658 -0.494 -21.075 1.00 0.00 H new ATOM 0 HA GLN A 13 23.516 1.672 -19.052 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.584 -0.532 -19.170 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.705 0.924 -18.203 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.386 0.213 -17.212 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.717 -1.356 -17.919 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.746 -2.829 -16.570 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.692 -2.375 -15.148 1.00 0.00 H new ATOM 231 N GLY A 14 25.342 2.933 -20.385 1.00 0.00 N ATOM 232 CA GLY A 14 25.962 3.843 -21.349 1.00 0.00 C ATOM 233 C GLY A 14 24.949 4.450 -22.329 1.00 0.00 C ATOM 234 O GLY A 14 25.345 4.936 -23.390 1.00 0.00 O ATOM 0 H GLY A 14 25.278 3.317 -19.442 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.467 4.646 -20.811 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.726 3.305 -21.910 1.00 0.00 H new ATOM 238 N VAL A 15 23.650 4.418 -21.996 1.00 0.00 N ATOM 239 CA VAL A 15 22.537 4.816 -22.870 1.00 0.00 C ATOM 240 C VAL A 15 21.499 5.650 -22.093 1.00 0.00 C ATOM 241 O VAL A 15 20.318 5.686 -22.449 1.00 0.00 O ATOM 242 CB VAL A 15 21.941 3.570 -23.571 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.922 2.980 -24.591 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.531 2.458 -22.593 1.00 0.00 C ATOM 0 H VAL A 15 23.335 4.103 -21.078 1.00 0.00 H new ATOM 0 HA VAL A 15 22.905 5.470 -23.661 1.00 0.00 H new ATOM 0 HB VAL A 15 21.043 3.930 -24.073 1.00 0.00 H new ATOM 0 HG11 VAL A 15 22.473 2.107 -25.065 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.151 3.728 -25.350 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.841 2.685 -24.084 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.122 1.616 -23.151 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.404 2.130 -22.029 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.776 2.839 -21.905 1.00 0.00 H new ATOM 254 N GLY A 16 21.921 6.290 -20.996 1.00 0.00 N ATOM 255 CA GLY A 16 21.090 7.188 -20.194 1.00 0.00 C ATOM 256 C GLY A 16 19.998 6.480 -19.391 1.00 0.00 C ATOM 257 O GLY A 16 19.181 7.154 -18.761 1.00 0.00 O ATOM 0 H GLY A 16 22.870 6.194 -20.636 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.730 7.741 -19.507 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.624 7.920 -20.854 1.00 0.00 H new ATOM 261 N PHE A 17 19.954 5.142 -19.393 1.00 0.00 N ATOM 262 CA PHE A 17 18.811 4.402 -18.868 1.00 0.00 C ATOM 263 C PHE A 17 18.580 4.660 -17.381 1.00 0.00 C ATOM 264 O PHE A 17 17.429 4.789 -16.972 1.00 0.00 O ATOM 265 CB PHE A 17 18.949 2.903 -19.176 1.00 0.00 C ATOM 266 CG PHE A 17 17.745 2.052 -18.800 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.440 2.489 -19.106 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.920 0.813 -18.153 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.326 1.713 -18.758 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.804 0.025 -17.819 1.00 0.00 C ATOM 271 CZ PHE A 17 15.506 0.473 -18.123 1.00 0.00 C ATOM 0 H PHE A 17 20.703 4.552 -19.755 1.00 0.00 H new ATOM 0 HA PHE A 17 17.921 4.771 -19.378 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.140 2.783 -20.242 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.824 2.519 -18.651 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.297 3.431 -19.614 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.914 0.467 -17.913 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.330 2.068 -18.978 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.944 -0.927 -17.328 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.650 -0.135 -17.869 1.00 0.00 H new ATOM 281 N ARG A 18 19.632 4.827 -16.568 1.00 0.00 N ATOM 282 CA ARG A 18 19.454 5.126 -15.143 1.00 0.00 C ATOM 283 C ARG A 18 18.654 6.417 -14.950 1.00 0.00 C ATOM 284 O ARG A 18 17.772 6.468 -14.093 1.00 0.00 O ATOM 285 CB ARG A 18 20.806 5.215 -14.413 1.00 0.00 C ATOM 286 CG ARG A 18 21.664 3.943 -14.533 1.00 0.00 C ATOM 287 CD ARG A 18 22.898 4.062 -13.630 1.00 0.00 C ATOM 288 NE ARG A 18 23.876 2.981 -13.870 1.00 0.00 N ATOM 289 CZ ARG A 18 24.724 2.489 -12.957 1.00 0.00 C ATOM 290 NH1 ARG A 18 24.644 2.842 -11.686 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.671 1.628 -13.292 1.00 0.00 N ATOM 0 H ARG A 18 20.604 4.761 -16.869 1.00 0.00 H new ATOM 0 HA ARG A 18 18.890 4.302 -14.705 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.368 6.060 -14.811 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.625 5.422 -13.358 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.077 3.069 -14.249 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.972 3.797 -15.568 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.377 5.026 -13.799 1.00 0.00 H new ATOM 0 HD3 ARG A 18 22.585 4.040 -12.586 1.00 0.00 H new ATOM 0 HE ARG A 18 23.908 2.577 -14.806 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.926 3.501 -11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 18 25.300 2.455 -11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.766 1.326 -14.262 1.00 0.00 H new ATOM 0 HH22 ARG A 18 26.306 1.266 -12.581 1.00 0.00 H new ATOM 305 N TYR A 19 18.914 7.441 -15.766 1.00 0.00 N ATOM 306 CA TYR A 19 18.181 8.699 -15.709 1.00 0.00 C ATOM 307 C TYR A 19 16.765 8.522 -16.256 1.00 0.00 C ATOM 308 O TYR A 19 15.832 9.087 -15.686 1.00 0.00 O ATOM 309 CB TYR A 19 18.935 9.798 -16.469 1.00 0.00 C ATOM 310 CG TYR A 19 20.305 10.105 -15.893 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.423 10.946 -14.770 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.461 9.535 -16.464 1.00 0.00 C ATOM 313 CE1 TYR A 19 21.687 11.221 -14.217 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.728 9.800 -15.913 1.00 0.00 C ATOM 315 CZ TYR A 19 22.848 10.646 -14.786 1.00 0.00 C ATOM 316 OH TYR A 19 24.081 10.904 -14.268 1.00 0.00 O ATOM 0 H TYR A 19 19.639 7.417 -16.483 1.00 0.00 H new ATOM 0 HA TYR A 19 18.102 9.006 -14.666 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.047 9.496 -17.510 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.336 10.708 -16.464 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.538 11.382 -14.331 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.374 8.892 -17.328 1.00 0.00 H new ATOM 0 HE1 TYR A 19 21.771 11.871 -13.358 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.610 9.357 -16.351 1.00 0.00 H new ATOM 0 HH TYR A 19 24.760 10.423 -14.786 1.00 0.00 H new ATOM 326 N PHE A 20 16.571 7.714 -17.308 1.00 0.00 N ATOM 327 CA PHE A 20 15.236 7.413 -17.825 1.00 0.00 C ATOM 328 C PHE A 20 14.376 6.804 -16.713 1.00 0.00 C ATOM 329 O PHE A 20 13.298 7.312 -16.411 1.00 0.00 O ATOM 330 CB PHE A 20 15.315 6.475 -19.043 1.00 0.00 C ATOM 331 CG PHE A 20 13.990 6.299 -19.759 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.495 7.321 -20.592 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.244 5.116 -19.592 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.265 7.161 -21.252 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.021 4.951 -20.264 1.00 0.00 C ATOM 336 CZ PHE A 20 11.528 5.974 -21.093 1.00 0.00 C ATOM 0 H PHE A 20 17.328 7.257 -17.817 1.00 0.00 H new ATOM 0 HA PHE A 20 14.770 8.340 -18.158 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.050 6.867 -19.746 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.675 5.499 -18.717 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.063 8.230 -20.724 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.613 4.333 -18.946 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.885 7.951 -21.883 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.459 4.037 -20.143 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.586 5.849 -21.606 1.00 0.00 H new ATOM 346 N VAL A 21 14.890 5.764 -16.053 1.00 0.00 N ATOM 347 CA VAL A 21 14.232 5.105 -14.934 1.00 0.00 C ATOM 348 C VAL A 21 13.981 6.121 -13.811 1.00 0.00 C ATOM 349 O VAL A 21 12.882 6.139 -13.257 1.00 0.00 O ATOM 350 CB VAL A 21 15.090 3.898 -14.494 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.534 3.180 -13.264 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.177 2.832 -15.596 1.00 0.00 C ATOM 0 H VAL A 21 15.793 5.352 -16.290 1.00 0.00 H new ATOM 0 HA VAL A 21 13.254 4.719 -15.221 1.00 0.00 H new ATOM 0 HB VAL A 21 16.065 4.330 -14.270 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.183 2.343 -13.007 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.490 3.875 -12.426 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.532 2.810 -13.481 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.789 1.999 -15.249 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.176 2.473 -15.834 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.628 3.267 -16.488 1.00 0.00 H new ATOM 362 N GLN A 22 14.948 6.997 -13.498 1.00 0.00 N ATOM 363 CA GLN A 22 14.780 8.002 -12.455 1.00 0.00 C ATOM 364 C GLN A 22 13.563 8.881 -12.730 1.00 0.00 C ATOM 365 O GLN A 22 12.724 9.076 -11.850 1.00 0.00 O ATOM 366 CB GLN A 22 16.052 8.867 -12.313 1.00 0.00 C ATOM 367 CG GLN A 22 16.058 9.687 -11.004 1.00 0.00 C ATOM 368 CD GLN A 22 16.438 8.886 -9.760 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.543 9.437 -8.672 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.664 7.587 -9.894 1.00 0.00 N ATOM 0 H GLN A 22 15.857 7.024 -13.960 1.00 0.00 H new ATOM 0 HA GLN A 22 14.614 7.479 -11.513 1.00 0.00 H new ATOM 0 HB2 GLN A 22 16.931 8.224 -12.341 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.126 9.544 -13.164 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.755 10.518 -11.113 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.068 10.119 -10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.572 7.145 -10.809 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.930 7.029 -9.083 1.00 0.00 H new ATOM 379 N MET A 23 13.468 9.415 -13.944 1.00 0.00 N ATOM 380 CA MET A 23 12.448 10.394 -14.281 1.00 0.00 C ATOM 381 C MET A 23 11.086 9.715 -14.406 1.00 0.00 C ATOM 382 O MET A 23 10.083 10.279 -13.971 1.00 0.00 O ATOM 383 CB MET A 23 12.862 11.130 -15.561 1.00 0.00 C ATOM 384 CG MET A 23 14.159 11.926 -15.331 1.00 0.00 C ATOM 385 SD MET A 23 13.984 13.369 -14.244 1.00 0.00 S ATOM 386 CE MET A 23 15.716 13.907 -14.192 1.00 0.00 C ATOM 0 H MET A 23 14.093 9.181 -14.715 1.00 0.00 H new ATOM 0 HA MET A 23 12.355 11.135 -13.487 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.007 10.413 -16.369 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.065 11.805 -15.873 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.908 11.258 -14.907 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.540 12.260 -16.296 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.803 14.793 -13.563 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.333 13.108 -13.781 1.00 0.00 H new ATOM 0 HE3 MET A 23 16.054 14.144 -15.201 1.00 0.00 H new ATOM 396 N GLU A 24 11.041 8.486 -14.929 1.00 0.00 N ATOM 397 CA GLU A 24 9.805 7.720 -15.034 1.00 0.00 C ATOM 398 C GLU A 24 9.284 7.297 -13.653 1.00 0.00 C ATOM 399 O GLU A 24 8.069 7.216 -13.472 1.00 0.00 O ATOM 400 CB GLU A 24 10.007 6.513 -15.968 1.00 0.00 C ATOM 401 CG GLU A 24 10.170 6.921 -17.444 1.00 0.00 C ATOM 402 CD GLU A 24 8.897 7.573 -18.004 1.00 0.00 C ATOM 403 OE1 GLU A 24 7.974 6.854 -18.445 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.768 8.817 -17.947 1.00 0.00 O ATOM 0 H GLU A 24 11.861 7.999 -15.290 1.00 0.00 H new ATOM 0 HA GLU A 24 9.039 8.360 -15.471 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.889 5.957 -15.650 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.155 5.840 -15.874 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.005 7.616 -17.538 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.418 6.042 -18.038 1.00 0.00 H new ATOM 411 N ALA A 25 10.163 7.076 -12.669 1.00 0.00 N ATOM 412 CA ALA A 25 9.756 6.831 -11.289 1.00 0.00 C ATOM 413 C ALA A 25 9.243 8.118 -10.642 1.00 0.00 C ATOM 414 O ALA A 25 8.222 8.104 -9.950 1.00 0.00 O ATOM 415 CB ALA A 25 10.950 6.309 -10.487 1.00 0.00 C ATOM 0 H ALA A 25 11.173 7.063 -12.811 1.00 0.00 H new ATOM 0 HA ALA A 25 8.955 6.091 -11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.644 6.127 -9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.307 5.379 -10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.750 7.049 -10.503 1.00 0.00 H new ATOM 421 N ASP A 26 9.954 9.230 -10.861 1.00 0.00 N ATOM 422 CA ASP A 26 9.660 10.519 -10.244 1.00 0.00 C ATOM 423 C ASP A 26 8.316 11.066 -10.714 1.00 0.00 C ATOM 424 O ASP A 26 7.493 11.450 -9.883 1.00 0.00 O ATOM 425 CB ASP A 26 10.769 11.529 -10.550 1.00 0.00 C ATOM 426 CG ASP A 26 10.418 12.908 -9.967 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.540 13.095 -8.735 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.038 13.816 -10.739 1.00 0.00 O ATOM 0 H ASP A 26 10.762 9.255 -11.483 1.00 0.00 H new ATOM 0 HA ASP A 26 9.608 10.363 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.713 11.180 -10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.909 11.608 -11.628 1.00 0.00 H new ATOM 433 N LYS A 27 8.028 11.020 -12.023 1.00 0.00 N ATOM 434 CA LYS A 27 6.729 11.443 -12.555 1.00 0.00 C ATOM 435 C LYS A 27 5.575 10.582 -12.041 1.00 0.00 C ATOM 436 O LYS A 27 4.417 10.985 -12.161 1.00 0.00 O ATOM 437 CB LYS A 27 6.769 11.569 -14.092 1.00 0.00 C ATOM 438 CG LYS A 27 6.858 10.256 -14.891 1.00 0.00 C ATOM 439 CD LYS A 27 5.499 9.597 -15.196 1.00 0.00 C ATOM 440 CE LYS A 27 5.649 8.336 -16.059 1.00 0.00 C ATOM 441 NZ LYS A 27 6.047 8.635 -17.455 1.00 0.00 N ATOM 0 H LYS A 27 8.682 10.692 -12.734 1.00 0.00 H new ATOM 0 HA LYS A 27 6.525 12.442 -12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.875 12.103 -14.413 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.624 12.189 -14.360 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.371 10.453 -15.832 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.473 9.549 -14.335 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.004 9.338 -14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.857 10.313 -15.709 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.393 7.679 -15.607 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.705 7.792 -16.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.116 7.748 -17.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.335 9.252 -17.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.970 9.115 -17.458 1.00 0.00 H new ATOM 455 N ARG A 28 5.869 9.414 -11.457 1.00 0.00 N ATOM 456 CA ARG A 28 4.888 8.496 -10.890 1.00 0.00 C ATOM 457 C ARG A 28 4.999 8.446 -9.356 1.00 0.00 C ATOM 458 O ARG A 28 4.386 7.580 -8.734 1.00 0.00 O ATOM 459 CB ARG A 28 5.064 7.123 -11.573 1.00 0.00 C ATOM 460 CG ARG A 28 3.747 6.353 -11.749 1.00 0.00 C ATOM 461 CD ARG A 28 2.880 6.918 -12.884 1.00 0.00 C ATOM 462 NE ARG A 28 1.705 6.058 -13.132 1.00 0.00 N ATOM 463 CZ ARG A 28 0.527 6.077 -12.497 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.250 7.005 -11.584 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.353 5.123 -12.777 1.00 0.00 N ATOM 0 H ARG A 28 6.827 9.076 -11.366 1.00 0.00 H new ATOM 0 HA ARG A 28 3.873 8.842 -11.086 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.524 7.269 -12.550 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.753 6.518 -10.983 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.967 5.305 -11.952 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.184 6.385 -10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.550 7.925 -12.628 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.474 6.999 -13.794 1.00 0.00 H new ATOM 0 HE ARG A 28 1.803 5.367 -13.876 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.942 7.719 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.654 7.002 -11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.123 4.401 -13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.259 5.112 -12.309 1.00 0.00 H new ATOM 479 N LYS A 29 5.744 9.381 -8.744 1.00 0.00 N ATOM 480 CA LYS A 29 5.920 9.548 -7.297 1.00 0.00 C ATOM 481 C LYS A 29 6.331 8.250 -6.582 1.00 0.00 C ATOM 482 O LYS A 29 5.959 8.040 -5.424 1.00 0.00 O ATOM 483 CB LYS A 29 4.667 10.213 -6.681 1.00 0.00 C ATOM 484 CG LYS A 29 4.239 11.547 -7.325 1.00 0.00 C ATOM 485 CD LYS A 29 5.278 12.680 -7.253 1.00 0.00 C ATOM 486 CE LYS A 29 5.613 13.073 -5.807 1.00 0.00 C ATOM 487 NZ LYS A 29 6.559 14.215 -5.739 1.00 0.00 N ATOM 0 H LYS A 29 6.267 10.077 -9.276 1.00 0.00 H new ATOM 0 HA LYS A 29 6.764 10.220 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.835 9.513 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.852 10.384 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.998 11.364 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.323 11.886 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.189 12.367 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.899 13.552 -7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.694 13.333 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.044 12.216 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.755 14.444 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.447 13.960 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.139 15.042 -6.208 1.00 0.00 H new ATOM 501 N LEU A 30 7.080 7.368 -7.250 1.00 0.00 N ATOM 502 CA LEU A 30 7.619 6.160 -6.618 1.00 0.00 C ATOM 503 C LEU A 30 8.816 6.528 -5.730 1.00 0.00 C ATOM 504 O LEU A 30 9.356 7.632 -5.835 1.00 0.00 O ATOM 505 CB LEU A 30 8.015 5.128 -7.686 1.00 0.00 C ATOM 506 CG LEU A 30 6.838 4.635 -8.550 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.352 3.663 -9.608 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.739 3.932 -7.747 1.00 0.00 C ATOM 0 H LEU A 30 7.328 7.469 -8.234 1.00 0.00 H new ATOM 0 HA LEU A 30 6.850 5.710 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.771 5.566 -8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.475 4.271 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 30 6.398 5.525 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.518 3.315 -10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.080 4.168 -10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.825 2.811 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.944 3.613 -8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.158 3.062 -7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.332 4.621 -7.007 1.00 0.00 H new ATOM 520 N ALA A 31 9.259 5.592 -4.885 1.00 0.00 N ATOM 521 CA ALA A 31 10.486 5.700 -4.095 1.00 0.00 C ATOM 522 C ALA A 31 11.233 4.367 -4.150 1.00 0.00 C ATOM 523 O ALA A 31 10.607 3.333 -4.389 1.00 0.00 O ATOM 524 CB ALA A 31 10.156 6.095 -2.654 1.00 0.00 C ATOM 0 H ALA A 31 8.760 4.716 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 31 11.127 6.479 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.078 6.172 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.644 7.057 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.511 5.338 -2.208 1.00 0.00 H new ATOM 530 N GLY A 32 12.561 4.387 -3.998 1.00 0.00 N ATOM 531 CA GLY A 32 13.412 3.239 -4.305 1.00 0.00 C ATOM 532 C GLY A 32 14.728 3.671 -4.959 1.00 0.00 C ATOM 533 O GLY A 32 15.150 4.815 -4.773 1.00 0.00 O ATOM 0 H GLY A 32 13.074 5.201 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.624 2.687 -3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.880 2.559 -4.971 1.00 0.00 H new ATOM 537 N TRP A 33 15.381 2.789 -5.726 1.00 0.00 N ATOM 538 CA TRP A 33 16.665 3.065 -6.368 1.00 0.00 C ATOM 539 C TRP A 33 16.762 2.499 -7.786 1.00 0.00 C ATOM 540 O TRP A 33 16.039 1.568 -8.150 1.00 0.00 O ATOM 541 CB TRP A 33 17.825 2.530 -5.506 1.00 0.00 C ATOM 542 CG TRP A 33 17.900 1.051 -5.207 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.078 0.042 -6.099 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.898 0.406 -3.895 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.189 -1.165 -5.433 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.120 -0.992 -4.072 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.759 0.865 -2.566 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.230 -1.879 -2.993 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.847 -0.021 -1.474 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.089 -1.391 -1.684 1.00 0.00 C ATOM 0 H TRP A 33 15.025 1.853 -5.918 1.00 0.00 H new ATOM 0 HA TRP A 33 16.739 4.149 -6.454 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.756 2.813 -5.997 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.795 3.056 -4.552 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.126 0.164 -7.171 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.307 -2.068 -5.893 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.582 1.915 -2.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.421 -2.928 -3.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.728 0.354 -0.468 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.166 -2.064 -0.843 1.00 0.00 H new ATOM 561 N VAL A 34 17.751 2.985 -8.543 1.00 0.00 N ATOM 562 CA VAL A 34 18.286 2.308 -9.725 1.00 0.00 C ATOM 563 C VAL A 34 19.818 2.321 -9.651 1.00 0.00 C ATOM 564 O VAL A 34 20.413 3.326 -9.246 1.00 0.00 O ATOM 565 CB VAL A 34 17.701 2.917 -11.018 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.915 4.434 -11.149 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.250 2.226 -12.276 1.00 0.00 C ATOM 0 H VAL A 34 18.209 3.875 -8.347 1.00 0.00 H new ATOM 0 HA VAL A 34 17.979 1.262 -9.748 1.00 0.00 H new ATOM 0 HB VAL A 34 16.628 2.742 -10.936 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.476 4.784 -12.083 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.439 4.942 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.983 4.652 -11.146 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.813 2.685 -13.163 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.334 2.335 -12.307 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.993 1.167 -12.251 1.00 0.00 H new ATOM 577 N LYS A 35 20.455 1.196 -9.998 1.00 0.00 N ATOM 578 CA LYS A 35 21.897 0.975 -9.863 1.00 0.00 C ATOM 579 C LYS A 35 22.373 -0.191 -10.740 1.00 0.00 C ATOM 580 O LYS A 35 21.551 -0.895 -11.327 1.00 0.00 O ATOM 581 CB LYS A 35 22.220 0.700 -8.385 1.00 0.00 C ATOM 582 CG LYS A 35 21.504 -0.525 -7.793 1.00 0.00 C ATOM 583 CD LYS A 35 22.033 -0.848 -6.387 1.00 0.00 C ATOM 584 CE LYS A 35 21.600 -2.253 -5.954 1.00 0.00 C ATOM 585 NZ LYS A 35 22.338 -3.321 -6.676 1.00 0.00 N ATOM 0 H LYS A 35 19.966 0.392 -10.392 1.00 0.00 H new ATOM 0 HA LYS A 35 22.423 1.868 -10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.296 0.561 -8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.954 1.579 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.431 -0.336 -7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.649 -1.386 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.121 -0.778 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.660 -0.112 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.761 -2.365 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.531 -2.371 -6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.662 -4.011 -7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.884 -2.900 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.986 -3.801 -6.019 1.00 0.00 H new ATOM 599 N ASN A 36 23.684 -0.441 -10.806 1.00 0.00 N ATOM 600 CA ASN A 36 24.230 -1.700 -11.327 1.00 0.00 C ATOM 601 C ASN A 36 23.963 -2.845 -10.337 1.00 0.00 C ATOM 602 O ASN A 36 23.673 -2.612 -9.159 1.00 0.00 O ATOM 603 CB ASN A 36 25.742 -1.533 -11.551 1.00 0.00 C ATOM 604 CG ASN A 36 26.400 -2.720 -12.239 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.094 -3.029 -13.386 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.318 -3.394 -11.571 1.00 0.00 N ATOM 0 H ASN A 36 24.397 0.222 -10.501 1.00 0.00 H new ATOM 0 HA ASN A 36 23.745 -1.945 -12.272 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.914 -0.638 -12.149 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.226 -1.370 -10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.787 -4.187 -12.008 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.558 -3.121 -10.618 1.00 0.00 H new ATOM 613 N ARG A 37 24.134 -4.092 -10.774 1.00 0.00 N ATOM 614 CA ARG A 37 24.147 -5.283 -9.925 1.00 0.00 C ATOM 615 C ARG A 37 25.411 -6.066 -10.256 1.00 0.00 C ATOM 616 O ARG A 37 25.898 -5.973 -11.381 1.00 0.00 O ATOM 617 CB ARG A 37 22.863 -6.088 -10.184 1.00 0.00 C ATOM 618 CG ARG A 37 22.601 -7.155 -9.109 1.00 0.00 C ATOM 619 CD ARG A 37 21.191 -7.739 -9.249 1.00 0.00 C ATOM 620 NE ARG A 37 20.982 -8.894 -8.359 1.00 0.00 N ATOM 621 CZ ARG A 37 20.590 -8.866 -7.078 1.00 0.00 C ATOM 622 NH1 ARG A 37 20.345 -7.720 -6.447 1.00 0.00 N ATOM 623 NH2 ARG A 37 20.445 -10.012 -6.419 1.00 0.00 N ATOM 0 H ARG A 37 24.272 -4.308 -11.761 1.00 0.00 H new ATOM 0 HA ARG A 37 24.163 -5.038 -8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 37 22.014 -5.405 -10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 37 22.933 -6.571 -11.159 1.00 0.00 H new ATOM 0 HG2 ARG A 37 23.339 -7.952 -9.195 1.00 0.00 H new ATOM 0 HG3 ARG A 37 22.720 -6.716 -8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.455 -6.968 -9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 37 21.025 -8.043 -10.283 1.00 0.00 H new ATOM 0 HE ARG A 37 21.154 -9.815 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.454 -6.833 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.048 -7.728 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 37 20.632 -10.898 -6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.147 -10.005 -5.443 1.00 0.00 H new ATOM 637 N ASP A 38 25.945 -6.826 -9.299 1.00 0.00 N ATOM 638 CA ASP A 38 27.302 -7.388 -9.358 1.00 0.00 C ATOM 639 C ASP A 38 27.568 -8.241 -10.604 1.00 0.00 C ATOM 640 O ASP A 38 28.686 -8.249 -11.119 1.00 0.00 O ATOM 641 CB ASP A 38 27.564 -8.219 -8.097 1.00 0.00 C ATOM 642 CG ASP A 38 28.971 -8.842 -8.115 1.00 0.00 C ATOM 643 OD1 ASP A 38 29.965 -8.106 -7.917 1.00 0.00 O ATOM 644 OD2 ASP A 38 29.089 -10.076 -8.284 1.00 0.00 O ATOM 0 H ASP A 38 25.442 -7.074 -8.447 1.00 0.00 H new ATOM 0 HA ASP A 38 27.986 -6.541 -9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 38 27.456 -7.588 -7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.816 -9.008 -8.018 1.00 0.00 H new ATOM 649 N ASP A 39 26.541 -8.925 -11.120 1.00 0.00 N ATOM 650 CA ASP A 39 26.632 -9.732 -12.342 1.00 0.00 C ATOM 651 C ASP A 39 26.895 -8.884 -13.600 1.00 0.00 C ATOM 652 O ASP A 39 27.374 -9.403 -14.609 1.00 0.00 O ATOM 653 CB ASP A 39 25.339 -10.537 -12.515 1.00 0.00 C ATOM 654 CG ASP A 39 25.407 -11.447 -13.750 1.00 0.00 C ATOM 655 OD1 ASP A 39 26.010 -12.541 -13.669 1.00 0.00 O ATOM 656 OD2 ASP A 39 24.832 -11.075 -14.797 1.00 0.00 O ATOM 0 H ASP A 39 25.613 -8.934 -10.696 1.00 0.00 H new ATOM 0 HA ASP A 39 27.485 -10.401 -12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.163 -11.141 -11.625 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.494 -9.855 -12.610 1.00 0.00 H new ATOM 661 N GLY A 40 26.590 -7.585 -13.549 1.00 0.00 N ATOM 662 CA GLY A 40 26.771 -6.607 -14.619 1.00 0.00 C ATOM 663 C GLY A 40 25.443 -6.092 -15.185 1.00 0.00 C ATOM 664 O GLY A 40 25.448 -5.350 -16.169 1.00 0.00 O ATOM 0 H GLY A 40 26.187 -7.166 -12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 40 27.350 -5.765 -14.241 1.00 0.00 H new ATOM 0 HA3 GLY A 40 27.352 -7.058 -15.423 1.00 0.00 H new ATOM 668 N ARG A 41 24.302 -6.511 -14.620 1.00 0.00 N ATOM 669 CA ARG A 41 22.983 -6.086 -15.082 1.00 0.00 C ATOM 670 C ARG A 41 22.611 -4.772 -14.397 1.00 0.00 C ATOM 671 O ARG A 41 23.288 -4.346 -13.459 1.00 0.00 O ATOM 672 CB ARG A 41 21.927 -7.171 -14.792 1.00 0.00 C ATOM 673 CG ARG A 41 22.226 -8.601 -15.281 1.00 0.00 C ATOM 674 CD ARG A 41 22.855 -8.720 -16.683 1.00 0.00 C ATOM 675 NE ARG A 41 24.293 -9.036 -16.619 1.00 0.00 N ATOM 676 CZ ARG A 41 25.237 -8.707 -17.508 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.936 -8.108 -18.656 1.00 0.00 N ATOM 678 NH2 ARG A 41 26.507 -8.985 -17.235 1.00 0.00 N ATOM 0 H ARG A 41 24.273 -7.155 -13.829 1.00 0.00 H new ATOM 0 HA ARG A 41 23.012 -5.933 -16.161 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.771 -7.210 -13.714 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.985 -6.852 -15.239 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.895 -9.076 -14.563 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.295 -9.168 -15.273 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.338 -9.496 -17.247 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.713 -7.785 -17.224 1.00 0.00 H new ATOM 0 HE ARG A 41 24.604 -9.566 -15.805 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.965 -7.888 -18.877 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.676 -7.868 -19.316 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.751 -9.443 -16.357 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.238 -8.740 -17.903 1.00 0.00 H new ATOM 692 N VAL A 42 21.510 -4.157 -14.813 1.00 0.00 N ATOM 693 CA VAL A 42 20.930 -3.034 -14.084 1.00 0.00 C ATOM 694 C VAL A 42 19.903 -3.633 -13.132 1.00 0.00 C ATOM 695 O VAL A 42 19.237 -4.615 -13.465 1.00 0.00 O ATOM 696 CB VAL A 42 20.312 -2.007 -15.056 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.660 -0.819 -14.326 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.404 -1.436 -15.967 1.00 0.00 C ATOM 0 H VAL A 42 20.998 -4.419 -15.656 1.00 0.00 H new ATOM 0 HA VAL A 42 21.683 -2.481 -13.523 1.00 0.00 H new ATOM 0 HB VAL A 42 19.547 -2.539 -15.622 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.241 -0.128 -15.058 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.865 -1.184 -13.675 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.411 -0.303 -13.728 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.964 -0.711 -16.652 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.165 -0.946 -15.360 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.861 -2.244 -16.538 1.00 0.00 H new ATOM 708 N GLU A 43 19.757 -3.019 -11.966 1.00 0.00 N ATOM 709 CA GLU A 43 18.767 -3.354 -10.967 1.00 0.00 C ATOM 710 C GLU A 43 18.006 -2.074 -10.653 1.00 0.00 C ATOM 711 O GLU A 43 18.591 -1.007 -10.451 1.00 0.00 O ATOM 712 CB GLU A 43 19.466 -3.915 -9.725 1.00 0.00 C ATOM 713 CG GLU A 43 18.509 -4.118 -8.540 1.00 0.00 C ATOM 714 CD GLU A 43 19.249 -4.414 -7.241 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.299 -5.097 -7.261 1.00 0.00 O ATOM 716 OE2 GLU A 43 18.773 -3.943 -6.187 1.00 0.00 O ATOM 0 H GLU A 43 20.354 -2.241 -11.684 1.00 0.00 H new ATOM 0 HA GLU A 43 18.074 -4.118 -11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.932 -4.868 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.266 -3.237 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.899 -3.224 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.828 -4.940 -8.763 1.00 0.00 H new ATOM 723 N ILE A 44 16.693 -2.213 -10.580 1.00 0.00 N ATOM 724 CA ILE A 44 15.735 -1.190 -10.235 1.00 0.00 C ATOM 725 C ILE A 44 14.968 -1.789 -9.056 1.00 0.00 C ATOM 726 O ILE A 44 14.691 -2.989 -9.043 1.00 0.00 O ATOM 727 CB ILE A 44 14.831 -0.954 -11.464 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.650 -0.642 -12.743 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.808 0.163 -11.197 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.839 -0.897 -14.003 1.00 0.00 C ATOM 0 H ILE A 44 16.243 -3.107 -10.775 1.00 0.00 H new ATOM 0 HA ILE A 44 16.166 -0.226 -9.966 1.00 0.00 H new ATOM 0 HB ILE A 44 14.292 -1.885 -11.638 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.975 0.398 -12.723 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.550 -1.257 -12.758 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.186 0.306 -12.081 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.179 -0.115 -10.351 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.333 1.091 -10.969 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.446 -0.667 -14.879 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.536 -1.944 -14.035 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.952 -0.263 -14.000 1.00 0.00 H new ATOM 742 N LEU A 45 14.608 -0.986 -8.064 1.00 0.00 N ATOM 743 CA LEU A 45 13.804 -1.436 -6.937 1.00 0.00 C ATOM 744 C LEU A 45 12.905 -0.265 -6.598 1.00 0.00 C ATOM 745 O LEU A 45 13.426 0.827 -6.390 1.00 0.00 O ATOM 746 CB LEU A 45 14.735 -1.846 -5.781 1.00 0.00 C ATOM 747 CG LEU A 45 14.057 -2.688 -4.684 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.115 -3.154 -3.681 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.971 -1.919 -3.928 1.00 0.00 C ATOM 0 H LEU A 45 14.867 -0.000 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 45 13.197 -2.315 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.573 -2.411 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.148 -0.945 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 45 13.578 -3.533 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.640 -3.751 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.863 -3.758 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.596 -2.286 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.530 -2.564 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.411 -1.044 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.198 -1.600 -4.627 1.00 0.00 H new ATOM 761 N ALA A 46 11.584 -0.455 -6.589 1.00 0.00 N ATOM 762 CA ALA A 46 10.631 0.630 -6.408 1.00 0.00 C ATOM 763 C ALA A 46 9.444 0.167 -5.574 1.00 0.00 C ATOM 764 O ALA A 46 9.028 -0.989 -5.656 1.00 0.00 O ATOM 765 CB ALA A 46 10.144 1.129 -7.771 1.00 0.00 C ATOM 0 H ALA A 46 11.149 -1.370 -6.708 1.00 0.00 H new ATOM 0 HA ALA A 46 11.129 1.445 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.431 1.941 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.993 1.490 -8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.660 0.312 -8.306 1.00 0.00 H new ATOM 771 N GLU A 47 8.877 1.102 -4.821 1.00 0.00 N ATOM 772 CA GLU A 47 7.710 0.942 -3.972 1.00 0.00 C ATOM 773 C GLU A 47 6.702 2.030 -4.345 1.00 0.00 C ATOM 774 O GLU A 47 7.093 3.157 -4.669 1.00 0.00 O ATOM 775 CB GLU A 47 8.181 1.059 -2.515 1.00 0.00 C ATOM 776 CG GLU A 47 7.132 0.795 -1.428 1.00 0.00 C ATOM 777 CD GLU A 47 6.042 1.870 -1.254 1.00 0.00 C ATOM 778 OE1 GLU A 47 6.362 3.079 -1.184 1.00 0.00 O ATOM 779 OE2 GLU A 47 4.859 1.490 -1.123 1.00 0.00 O ATOM 0 H GLU A 47 9.246 2.052 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 47 7.224 -0.025 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.006 0.363 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.580 2.062 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.644 -0.155 -1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.649 0.675 -0.476 1.00 0.00 H new ATOM 786 N GLY A 48 5.413 1.687 -4.302 1.00 0.00 N ATOM 787 CA GLY A 48 4.322 2.617 -4.542 1.00 0.00 C ATOM 788 C GLY A 48 2.979 1.893 -4.644 1.00 0.00 C ATOM 789 O GLY A 48 2.900 0.695 -4.358 1.00 0.00 O ATOM 0 H GLY A 48 5.099 0.739 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.282 3.348 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.509 3.169 -5.463 1.00 0.00 H new ATOM 793 N PRO A 49 1.907 2.604 -5.033 1.00 0.00 N ATOM 794 CA PRO A 49 0.650 1.988 -5.442 1.00 0.00 C ATOM 795 C PRO A 49 0.882 0.976 -6.569 1.00 0.00 C ATOM 796 O PRO A 49 1.710 1.206 -7.453 1.00 0.00 O ATOM 797 CB PRO A 49 -0.247 3.140 -5.914 1.00 0.00 C ATOM 798 CG PRO A 49 0.361 4.381 -5.260 1.00 0.00 C ATOM 799 CD PRO A 49 1.849 4.047 -5.202 1.00 0.00 C ATOM 0 HA PRO A 49 0.189 1.437 -4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.249 3.223 -7.001 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.281 2.992 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.172 5.280 -5.847 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.052 4.557 -4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.359 4.358 -6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.336 4.561 -4.373 1.00 0.00 H new ATOM 807 N GLU A 50 0.114 -0.115 -6.584 1.00 0.00 N ATOM 808 CA GLU A 50 0.271 -1.177 -7.577 1.00 0.00 C ATOM 809 C GLU A 50 0.083 -0.631 -8.998 1.00 0.00 C ATOM 810 O GLU A 50 0.847 -0.981 -9.893 1.00 0.00 O ATOM 811 CB GLU A 50 -0.700 -2.350 -7.335 1.00 0.00 C ATOM 812 CG GLU A 50 -0.688 -2.944 -5.920 1.00 0.00 C ATOM 813 CD GLU A 50 -1.569 -2.174 -4.923 1.00 0.00 C ATOM 814 OE1 GLU A 50 -1.054 -1.235 -4.274 1.00 0.00 O ATOM 815 OE2 GLU A 50 -2.765 -2.512 -4.770 1.00 0.00 O ATOM 0 H GLU A 50 -0.632 -0.286 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 50 1.287 -1.557 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.712 -2.012 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.465 -3.144 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.026 -3.979 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.337 -2.959 -5.550 1.00 0.00 H new ATOM 822 N ASN A 51 -0.892 0.261 -9.211 1.00 0.00 N ATOM 823 CA ASN A 51 -1.156 0.843 -10.530 1.00 0.00 C ATOM 824 C ASN A 51 0.027 1.689 -11.009 1.00 0.00 C ATOM 825 O ASN A 51 0.451 1.574 -12.159 1.00 0.00 O ATOM 826 CB ASN A 51 -2.434 1.696 -10.484 1.00 0.00 C ATOM 827 CG ASN A 51 -2.760 2.317 -11.844 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.676 1.666 -12.881 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.155 3.580 -11.872 1.00 0.00 N ATOM 0 H ASN A 51 -1.516 0.597 -8.478 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.295 0.027 -11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.271 1.078 -10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.315 2.487 -9.744 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.393 4.020 -12.761 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.222 4.113 -11.005 1.00 0.00 H new ATOM 836 N ALA A 52 0.593 2.506 -10.113 1.00 0.00 N ATOM 837 CA ALA A 52 1.775 3.310 -10.403 1.00 0.00 C ATOM 838 C ALA A 52 2.948 2.408 -10.783 1.00 0.00 C ATOM 839 O ALA A 52 3.645 2.670 -11.764 1.00 0.00 O ATOM 840 CB ALA A 52 2.118 4.174 -9.184 1.00 0.00 C ATOM 0 H ALA A 52 0.239 2.625 -9.164 1.00 0.00 H new ATOM 0 HA ALA A 52 1.569 3.966 -11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.001 4.775 -9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.279 4.831 -8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.318 3.531 -8.327 1.00 0.00 H new ATOM 846 N LEU A 53 3.142 1.325 -10.029 1.00 0.00 N ATOM 847 CA LEU A 53 4.189 0.357 -10.297 1.00 0.00 C ATOM 848 C LEU A 53 3.963 -0.342 -11.638 1.00 0.00 C ATOM 849 O LEU A 53 4.936 -0.545 -12.358 1.00 0.00 O ATOM 850 CB LEU A 53 4.271 -0.645 -9.135 1.00 0.00 C ATOM 851 CG LEU A 53 4.989 -0.084 -7.893 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.778 -1.046 -6.726 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.499 0.100 -8.093 1.00 0.00 C ATOM 0 H LEU A 53 2.572 1.100 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 53 5.145 0.875 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.262 -0.950 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.792 -1.541 -9.473 1.00 0.00 H new ATOM 0 HG LEU A 53 4.562 0.900 -7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.282 -0.660 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.711 -1.144 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.190 -2.023 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.941 0.498 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.955 -0.862 -8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.675 0.795 -8.914 1.00 0.00 H new ATOM 865 N GLN A 54 2.729 -0.676 -12.024 1.00 0.00 N ATOM 866 CA GLN A 54 2.461 -1.272 -13.333 1.00 0.00 C ATOM 867 C GLN A 54 2.830 -0.303 -14.461 1.00 0.00 C ATOM 868 O GLN A 54 3.534 -0.710 -15.392 1.00 0.00 O ATOM 869 CB GLN A 54 0.997 -1.731 -13.449 1.00 0.00 C ATOM 870 CG GLN A 54 0.695 -3.002 -12.639 1.00 0.00 C ATOM 871 CD GLN A 54 1.488 -4.218 -13.126 1.00 0.00 C ATOM 872 OE1 GLN A 54 1.322 -4.683 -14.251 1.00 0.00 O ATOM 873 NE2 GLN A 54 2.377 -4.753 -12.303 1.00 0.00 N ATOM 0 H GLN A 54 1.899 -0.543 -11.446 1.00 0.00 H new ATOM 0 HA GLN A 54 3.090 -2.157 -13.432 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.343 -0.928 -13.110 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.762 -1.912 -14.498 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.924 -2.821 -11.589 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.371 -3.221 -12.699 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.509 -4.361 -11.371 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.930 -5.557 -12.602 1.00 0.00 H new ATOM 882 N SER A 55 2.444 0.978 -14.362 1.00 0.00 N ATOM 883 CA SER A 55 2.881 1.981 -15.333 1.00 0.00 C ATOM 884 C SER A 55 4.410 2.026 -15.412 1.00 0.00 C ATOM 885 O SER A 55 4.980 2.170 -16.494 1.00 0.00 O ATOM 886 CB SER A 55 2.369 3.373 -14.952 1.00 0.00 C ATOM 887 OG SER A 55 0.985 3.389 -14.643 1.00 0.00 O ATOM 0 H SER A 55 1.836 1.337 -13.626 1.00 0.00 H new ATOM 0 HA SER A 55 2.470 1.697 -16.302 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.932 3.738 -14.093 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.560 4.062 -15.775 1.00 0.00 H new ATOM 0 HG SER A 55 0.520 3.996 -15.256 1.00 0.00 H new ATOM 893 N PHE A 56 5.084 1.885 -14.271 1.00 0.00 N ATOM 894 CA PHE A 56 6.527 1.910 -14.221 1.00 0.00 C ATOM 895 C PHE A 56 7.143 0.645 -14.830 1.00 0.00 C ATOM 896 O PHE A 56 8.179 0.775 -15.473 1.00 0.00 O ATOM 897 CB PHE A 56 6.977 2.208 -12.789 1.00 0.00 C ATOM 898 CG PHE A 56 8.461 2.461 -12.607 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.108 3.458 -13.364 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.181 1.756 -11.624 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.467 3.735 -13.141 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.536 2.038 -11.399 1.00 0.00 C ATOM 903 CZ PHE A 56 11.173 3.037 -12.147 1.00 0.00 C ATOM 0 H PHE A 56 4.638 1.751 -13.364 1.00 0.00 H new ATOM 0 HA PHE A 56 6.905 2.717 -14.849 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.431 3.081 -12.430 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.689 1.369 -12.155 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.560 4.008 -14.114 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.687 0.994 -11.040 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.969 4.485 -13.734 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.087 1.487 -10.651 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.210 3.271 -11.959 1.00 0.00 H new ATOM 913 N VAL A 57 6.515 -0.542 -14.765 1.00 0.00 N ATOM 914 CA VAL A 57 6.999 -1.680 -15.553 1.00 0.00 C ATOM 915 C VAL A 57 6.862 -1.339 -17.037 1.00 0.00 C ATOM 916 O VAL A 57 7.803 -1.573 -17.791 1.00 0.00 O ATOM 917 CB VAL A 57 6.292 -3.024 -15.249 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.042 -4.180 -15.936 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.231 -3.360 -13.757 1.00 0.00 C ATOM 0 H VAL A 57 5.694 -0.733 -14.191 1.00 0.00 H new ATOM 0 HA VAL A 57 8.040 -1.836 -15.271 1.00 0.00 H new ATOM 0 HB VAL A 57 5.275 -2.909 -15.623 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.538 -5.122 -15.717 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.054 -4.017 -17.014 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.066 -4.221 -15.564 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.723 -4.314 -13.619 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.243 -3.427 -13.357 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.684 -2.578 -13.230 1.00 0.00 H new ATOM 929 N GLU A 58 5.732 -0.762 -17.464 1.00 0.00 N ATOM 930 CA GLU A 58 5.528 -0.408 -18.867 1.00 0.00 C ATOM 931 C GLU A 58 6.583 0.597 -19.350 1.00 0.00 C ATOM 932 O GLU A 58 7.020 0.520 -20.499 1.00 0.00 O ATOM 933 CB GLU A 58 4.102 0.110 -19.114 1.00 0.00 C ATOM 934 CG GLU A 58 3.052 -1.000 -18.972 1.00 0.00 C ATOM 935 CD GLU A 58 1.641 -0.488 -19.315 1.00 0.00 C ATOM 936 OE1 GLU A 58 0.939 0.035 -18.421 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.212 -0.620 -20.484 1.00 0.00 O ATOM 0 H GLU A 58 4.947 -0.532 -16.855 1.00 0.00 H new ATOM 0 HA GLU A 58 5.650 -1.317 -19.455 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.880 0.911 -18.408 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.041 0.540 -20.114 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.308 -1.831 -19.629 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.063 -1.385 -17.952 1.00 0.00 H new ATOM 944 N ALA A 59 7.033 1.506 -18.477 1.00 0.00 N ATOM 945 CA ALA A 59 8.150 2.389 -18.758 1.00 0.00 C ATOM 946 C ALA A 59 9.468 1.608 -18.841 1.00 0.00 C ATOM 947 O ALA A 59 10.181 1.698 -19.839 1.00 0.00 O ATOM 948 CB ALA A 59 8.230 3.484 -17.689 1.00 0.00 C ATOM 0 H ALA A 59 6.624 1.643 -17.553 1.00 0.00 H new ATOM 0 HA ALA A 59 7.986 2.856 -19.729 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.070 4.143 -17.906 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.306 4.062 -17.690 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.371 3.027 -16.710 1.00 0.00 H new ATOM 954 N VAL A 60 9.801 0.836 -17.804 1.00 0.00 N ATOM 955 CA VAL A 60 11.084 0.155 -17.663 1.00 0.00 C ATOM 956 C VAL A 60 11.294 -0.844 -18.804 1.00 0.00 C ATOM 957 O VAL A 60 12.390 -0.904 -19.362 1.00 0.00 O ATOM 958 CB VAL A 60 11.142 -0.491 -16.258 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.253 -1.535 -16.103 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.361 0.590 -15.185 1.00 0.00 C ATOM 0 H VAL A 60 9.169 0.665 -17.022 1.00 0.00 H new ATOM 0 HA VAL A 60 11.910 0.862 -17.740 1.00 0.00 H new ATOM 0 HB VAL A 60 10.185 -0.997 -16.132 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.230 -1.943 -15.092 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.100 -2.339 -16.823 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.220 -1.066 -16.284 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.400 0.123 -14.201 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.300 1.109 -15.378 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.538 1.305 -15.215 1.00 0.00 H new ATOM 970 N LYS A 61 10.260 -1.598 -19.196 1.00 0.00 N ATOM 971 CA LYS A 61 10.377 -2.619 -20.236 1.00 0.00 C ATOM 972 C LYS A 61 10.715 -2.033 -21.612 1.00 0.00 C ATOM 973 O LYS A 61 11.112 -2.788 -22.498 1.00 0.00 O ATOM 974 CB LYS A 61 9.132 -3.530 -20.252 1.00 0.00 C ATOM 975 CG LYS A 61 7.886 -2.908 -20.904 1.00 0.00 C ATOM 976 CD LYS A 61 6.698 -3.881 -20.850 1.00 0.00 C ATOM 977 CE LYS A 61 5.465 -3.366 -21.612 1.00 0.00 C ATOM 978 NZ LYS A 61 5.645 -3.380 -23.088 1.00 0.00 N ATOM 0 H LYS A 61 9.323 -1.516 -18.801 1.00 0.00 H new ATOM 0 HA LYS A 61 11.231 -3.247 -19.984 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.380 -4.451 -20.780 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.888 -3.807 -19.226 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.626 -1.981 -20.392 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.103 -2.649 -21.940 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.002 -4.841 -21.268 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.427 -4.058 -19.809 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.602 -3.978 -21.351 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.244 -2.349 -21.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.783 -3.023 -23.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.450 -2.774 -23.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.828 -4.353 -23.406 1.00 0.00 H new ATOM 992 N ASN A 62 10.562 -0.718 -21.819 1.00 0.00 N ATOM 993 CA ASN A 62 11.007 -0.062 -23.049 1.00 0.00 C ATOM 994 C ASN A 62 12.539 -0.010 -23.146 1.00 0.00 C ATOM 995 O ASN A 62 13.075 0.048 -24.252 1.00 0.00 O ATOM 996 CB ASN A 62 10.449 1.370 -23.118 1.00 0.00 C ATOM 997 CG ASN A 62 10.782 2.039 -24.449 1.00 0.00 C ATOM 998 OD1 ASN A 62 10.172 1.744 -25.473 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.731 2.959 -24.462 1.00 0.00 N ATOM 0 H ASN A 62 10.130 -0.087 -21.144 1.00 0.00 H new ATOM 0 HA ASN A 62 10.630 -0.651 -23.885 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.368 1.347 -22.982 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.860 1.961 -22.300 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.967 3.436 -25.332 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.228 3.192 -23.602 1.00 0.00 H new ATOM 1006 N GLY A 63 13.248 0.001 -22.010 1.00 0.00 N ATOM 1007 CA GLY A 63 14.590 0.576 -21.946 1.00 0.00 C ATOM 1008 C GLY A 63 14.501 2.100 -22.115 1.00 0.00 C ATOM 1009 O GLY A 63 13.400 2.653 -22.201 1.00 0.00 O ATOM 0 H GLY A 63 12.912 -0.382 -21.126 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.057 0.332 -20.992 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.218 0.149 -22.727 1.00 0.00 H new ATOM 1013 N SER A 64 15.632 2.809 -22.180 1.00 0.00 N ATOM 1014 CA SER A 64 15.593 4.175 -22.692 1.00 0.00 C ATOM 1015 C SER A 64 15.280 4.124 -24.197 1.00 0.00 C ATOM 1016 O SER A 64 15.534 3.101 -24.843 1.00 0.00 O ATOM 1017 CB SER A 64 16.909 4.918 -22.415 1.00 0.00 C ATOM 1018 OG SER A 64 17.995 4.379 -23.149 1.00 0.00 O ATOM 0 H SER A 64 16.552 2.473 -21.895 1.00 0.00 H new ATOM 0 HA SER A 64 14.811 4.734 -22.177 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.789 5.971 -22.668 1.00 0.00 H new ATOM 0 HB3 SER A 64 17.134 4.870 -21.350 1.00 0.00 H new ATOM 0 HG SER A 64 18.187 3.472 -22.831 1.00 0.00 H new ATOM 1024 N PRO A 65 14.841 5.239 -24.801 1.00 0.00 N ATOM 1025 CA PRO A 65 14.869 5.459 -26.245 1.00 0.00 C ATOM 1026 C PRO A 65 16.210 5.152 -26.945 1.00 0.00 C ATOM 1027 O PRO A 65 16.236 5.084 -28.176 1.00 0.00 O ATOM 1028 CB PRO A 65 14.480 6.930 -26.426 1.00 0.00 C ATOM 1029 CG PRO A 65 13.565 7.200 -25.234 1.00 0.00 C ATOM 1030 CD PRO A 65 14.172 6.340 -24.127 1.00 0.00 C ATOM 0 HA PRO A 65 14.185 4.758 -26.724 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.354 7.581 -26.418 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.967 7.097 -27.373 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.556 8.256 -24.964 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.534 6.916 -25.445 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.876 6.916 -23.526 1.00 0.00 H new ATOM 0 HD3 PRO A 65 13.401 5.973 -23.450 1.00 0.00 H new ATOM 1038 N PHE A 66 17.310 4.959 -26.203 1.00 0.00 N ATOM 1039 CA PHE A 66 18.643 4.683 -26.736 1.00 0.00 C ATOM 1040 C PHE A 66 19.122 3.270 -26.370 1.00 0.00 C ATOM 1041 O PHE A 66 20.176 2.846 -26.852 1.00 0.00 O ATOM 1042 CB PHE A 66 19.621 5.744 -26.205 1.00 0.00 C ATOM 1043 CG PHE A 66 19.121 7.175 -26.312 1.00 0.00 C ATOM 1044 CD1 PHE A 66 19.056 7.813 -27.566 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.677 7.854 -25.158 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.552 9.122 -27.665 1.00 0.00 C ATOM 1047 CE2 PHE A 66 18.172 9.162 -25.260 1.00 0.00 C ATOM 1048 CZ PHE A 66 18.109 9.796 -26.514 1.00 0.00 C ATOM 0 H PHE A 66 17.291 4.993 -25.184 1.00 0.00 H new ATOM 0 HA PHE A 66 18.602 4.730 -27.824 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.840 5.527 -25.160 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.560 5.659 -26.752 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.394 7.296 -28.452 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.725 7.368 -24.195 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.505 9.610 -28.627 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.832 9.680 -24.375 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.720 10.801 -26.592 1.00 0.00 H new ATOM 1058 N SER A 67 18.382 2.544 -25.529 1.00 0.00 N ATOM 1059 CA SER A 67 18.699 1.187 -25.106 1.00 0.00 C ATOM 1060 C SER A 67 18.270 0.153 -26.156 1.00 0.00 C ATOM 1061 O SER A 67 17.515 0.448 -27.087 1.00 0.00 O ATOM 1062 CB SER A 67 17.952 0.893 -23.798 1.00 0.00 C ATOM 1063 OG SER A 67 18.358 1.741 -22.742 1.00 0.00 O ATOM 0 H SER A 67 17.521 2.899 -25.114 1.00 0.00 H new ATOM 0 HA SER A 67 19.778 1.114 -24.972 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.880 1.008 -23.961 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.121 -0.145 -23.512 1.00 0.00 H new ATOM 0 HG SER A 67 18.128 1.328 -21.884 1.00 0.00 H new ATOM 1069 N LYS A 68 18.679 -1.097 -25.926 1.00 0.00 N ATOM 1070 CA LYS A 68 18.036 -2.303 -26.429 1.00 0.00 C ATOM 1071 C LYS A 68 18.091 -3.303 -25.278 1.00 0.00 C ATOM 1072 O LYS A 68 19.073 -4.032 -25.131 1.00 0.00 O ATOM 1073 CB LYS A 68 18.709 -2.815 -27.717 1.00 0.00 C ATOM 1074 CG LYS A 68 17.952 -4.023 -28.300 1.00 0.00 C ATOM 1075 CD LYS A 68 18.690 -4.689 -29.473 1.00 0.00 C ATOM 1076 CE LYS A 68 18.916 -3.778 -30.693 1.00 0.00 C ATOM 1077 NZ LYS A 68 17.652 -3.401 -31.379 1.00 0.00 N ATOM 0 H LYS A 68 19.503 -1.300 -25.360 1.00 0.00 H new ATOM 0 HA LYS A 68 17.003 -2.123 -26.727 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.744 -2.014 -28.455 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.740 -3.097 -27.504 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.794 -4.760 -27.512 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.967 -3.699 -28.635 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.657 -5.046 -29.120 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.123 -5.564 -29.791 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.433 -2.873 -30.373 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.570 -4.285 -31.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.867 -2.788 -32.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.168 -4.259 -31.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.035 -2.891 -30.715 1.00 0.00 H new ATOM 1091 N VAL A 69 17.077 -3.284 -24.414 1.00 0.00 N ATOM 1092 CA VAL A 69 16.851 -4.365 -23.462 1.00 0.00 C ATOM 1093 C VAL A 69 16.638 -5.654 -24.265 1.00 0.00 C ATOM 1094 O VAL A 69 15.910 -5.652 -25.261 1.00 0.00 O ATOM 1095 CB VAL A 69 15.688 -4.012 -22.500 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.436 -3.444 -23.188 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.268 -5.200 -21.619 1.00 0.00 C ATOM 0 H VAL A 69 16.397 -2.526 -24.356 1.00 0.00 H new ATOM 0 HA VAL A 69 17.712 -4.516 -22.810 1.00 0.00 H new ATOM 0 HB VAL A 69 16.111 -3.222 -21.880 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.676 -3.226 -22.438 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.696 -2.527 -23.718 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.047 -4.175 -23.897 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.450 -4.897 -20.965 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.940 -6.024 -22.252 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.116 -5.522 -21.014 1.00 0.00 H new ATOM 1107 N THR A 70 17.263 -6.745 -23.830 1.00 0.00 N ATOM 1108 CA THR A 70 17.131 -8.064 -24.434 1.00 0.00 C ATOM 1109 C THR A 70 16.576 -9.075 -23.420 1.00 0.00 C ATOM 1110 O THR A 70 16.062 -10.118 -23.831 1.00 0.00 O ATOM 1111 CB THR A 70 18.488 -8.496 -25.019 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.490 -8.441 -24.022 1.00 0.00 O ATOM 1113 CG2 THR A 70 18.922 -7.577 -26.169 1.00 0.00 C ATOM 0 H THR A 70 17.891 -6.734 -23.027 1.00 0.00 H new ATOM 0 HA THR A 70 16.412 -8.025 -25.252 1.00 0.00 H new ATOM 0 HB THR A 70 18.366 -9.513 -25.391 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.348 -8.719 -24.405 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.884 -7.911 -26.558 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.177 -7.612 -26.964 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.014 -6.555 -25.803 1.00 0.00 H new ATOM 1121 N ASP A 71 16.607 -8.770 -22.115 1.00 0.00 N ATOM 1122 CA ASP A 71 16.011 -9.594 -21.066 1.00 0.00 C ATOM 1123 C ASP A 71 15.664 -8.719 -19.861 1.00 0.00 C ATOM 1124 O ASP A 71 16.363 -7.746 -19.569 1.00 0.00 O ATOM 1125 CB ASP A 71 16.987 -10.707 -20.655 1.00 0.00 C ATOM 1126 CG ASP A 71 16.423 -11.565 -19.513 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.344 -12.172 -19.692 1.00 0.00 O ATOM 1128 OD2 ASP A 71 17.073 -11.662 -18.449 1.00 0.00 O ATOM 0 H ASP A 71 17.056 -7.927 -21.757 1.00 0.00 H new ATOM 0 HA ASP A 71 15.098 -10.055 -21.444 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.199 -11.341 -21.516 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.933 -10.264 -20.344 1.00 0.00 H new ATOM 1133 N ILE A 72 14.583 -9.060 -19.164 1.00 0.00 N ATOM 1134 CA ILE A 72 14.075 -8.371 -17.983 1.00 0.00 C ATOM 1135 C ILE A 72 13.466 -9.427 -17.045 1.00 0.00 C ATOM 1136 O ILE A 72 12.882 -10.410 -17.514 1.00 0.00 O ATOM 1137 CB ILE A 72 13.088 -7.249 -18.411 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.483 -6.534 -17.182 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.980 -7.740 -19.369 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.750 -5.228 -17.516 1.00 0.00 C ATOM 0 H ILE A 72 14.010 -9.864 -19.421 1.00 0.00 H new ATOM 0 HA ILE A 72 14.867 -7.864 -17.432 1.00 0.00 H new ATOM 0 HB ILE A 72 13.680 -6.528 -18.974 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.788 -7.212 -16.686 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.281 -6.319 -16.471 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.327 -6.907 -19.627 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.434 -8.140 -20.276 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.396 -8.520 -18.881 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.355 -4.788 -16.600 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.445 -4.530 -17.983 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.929 -5.437 -18.202 1.00 0.00 H new ATOM 1152 N SER A 73 13.590 -9.218 -15.732 1.00 0.00 N ATOM 1153 CA SER A 73 13.156 -10.133 -14.677 1.00 0.00 C ATOM 1154 C SER A 73 12.544 -9.310 -13.541 1.00 0.00 C ATOM 1155 O SER A 73 12.958 -8.169 -13.339 1.00 0.00 O ATOM 1156 CB SER A 73 14.371 -10.924 -14.163 1.00 0.00 C ATOM 1157 OG SER A 73 14.981 -11.672 -15.204 1.00 0.00 O ATOM 0 H SER A 73 14.015 -8.368 -15.360 1.00 0.00 H new ATOM 0 HA SER A 73 12.414 -10.834 -15.060 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.099 -10.236 -13.733 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.058 -11.597 -13.365 1.00 0.00 H new ATOM 0 HG SER A 73 15.751 -12.162 -14.847 1.00 0.00 H new ATOM 1163 N VAL A 74 11.587 -9.867 -12.793 1.00 0.00 N ATOM 1164 CA VAL A 74 10.798 -9.146 -11.789 1.00 0.00 C ATOM 1165 C VAL A 74 10.636 -10.042 -10.553 1.00 0.00 C ATOM 1166 O VAL A 74 10.444 -11.254 -10.687 1.00 0.00 O ATOM 1167 CB VAL A 74 9.417 -8.763 -12.387 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.563 -7.935 -11.407 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.531 -7.998 -13.719 1.00 0.00 C ATOM 0 H VAL A 74 11.334 -10.852 -12.870 1.00 0.00 H new ATOM 0 HA VAL A 74 11.305 -8.227 -11.495 1.00 0.00 H new ATOM 0 HB VAL A 74 8.922 -9.716 -12.576 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.608 -7.693 -11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.388 -8.512 -10.499 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.088 -7.014 -11.156 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.534 -7.758 -14.087 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.091 -7.076 -13.562 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.049 -8.618 -14.451 1.00 0.00 H new ATOM 1179 N THR A 75 10.664 -9.437 -9.362 1.00 0.00 N ATOM 1180 CA THR A 75 10.371 -10.074 -8.083 1.00 0.00 C ATOM 1181 C THR A 75 9.542 -9.070 -7.274 1.00 0.00 C ATOM 1182 O THR A 75 10.049 -8.006 -6.918 1.00 0.00 O ATOM 1183 CB THR A 75 11.688 -10.435 -7.358 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.593 -11.113 -8.215 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.444 -11.330 -6.139 1.00 0.00 C ATOM 0 H THR A 75 10.902 -8.450 -9.263 1.00 0.00 H new ATOM 0 HA THR A 75 9.817 -11.003 -8.213 1.00 0.00 H new ATOM 0 HB THR A 75 12.116 -9.484 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.414 -11.324 -7.723 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.396 -11.559 -5.660 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.797 -10.812 -5.431 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.966 -12.256 -6.458 1.00 0.00 H new ATOM 1193 N GLU A 76 8.263 -9.359 -7.020 1.00 0.00 N ATOM 1194 CA GLU A 76 7.434 -8.564 -6.120 1.00 0.00 C ATOM 1195 C GLU A 76 7.822 -8.862 -4.665 1.00 0.00 C ATOM 1196 O GLU A 76 8.383 -9.918 -4.360 1.00 0.00 O ATOM 1197 CB GLU A 76 5.941 -8.821 -6.390 1.00 0.00 C ATOM 1198 CG GLU A 76 5.487 -10.266 -6.125 1.00 0.00 C ATOM 1199 CD GLU A 76 4.000 -10.463 -6.464 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.671 -10.768 -7.634 1.00 0.00 O ATOM 1201 OE2 GLU A 76 3.141 -10.343 -5.561 1.00 0.00 O ATOM 0 H GLU A 76 7.775 -10.153 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 76 7.609 -7.504 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.351 -8.148 -5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.723 -8.569 -7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.090 -10.952 -6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.658 -10.516 -5.078 1.00 0.00 H new ATOM 1208 N SER A 77 7.530 -7.930 -3.762 1.00 0.00 N ATOM 1209 CA SER A 77 7.784 -8.015 -2.324 1.00 0.00 C ATOM 1210 C SER A 77 6.932 -6.960 -1.597 1.00 0.00 C ATOM 1211 O SER A 77 6.278 -6.131 -2.232 1.00 0.00 O ATOM 1212 CB SER A 77 9.283 -7.778 -2.064 1.00 0.00 C ATOM 1213 OG SER A 77 10.062 -8.851 -2.558 1.00 0.00 O ATOM 0 H SER A 77 7.087 -7.050 -4.025 1.00 0.00 H new ATOM 0 HA SER A 77 7.513 -9.002 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.595 -6.849 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.456 -7.662 -0.994 1.00 0.00 H new ATOM 0 HG SER A 77 9.475 -9.520 -2.968 1.00 0.00 H new ATOM 1219 N ARG A 78 6.961 -6.953 -0.260 1.00 0.00 N ATOM 1220 CA ARG A 78 6.290 -5.943 0.574 1.00 0.00 C ATOM 1221 C ARG A 78 7.278 -5.337 1.584 1.00 0.00 C ATOM 1222 O ARG A 78 6.885 -4.857 2.645 1.00 0.00 O ATOM 1223 CB ARG A 78 5.037 -6.545 1.241 1.00 0.00 C ATOM 1224 CG ARG A 78 3.968 -6.967 0.216 1.00 0.00 C ATOM 1225 CD ARG A 78 2.667 -7.421 0.888 1.00 0.00 C ATOM 1226 NE ARG A 78 2.843 -8.658 1.673 1.00 0.00 N ATOM 1227 CZ ARG A 78 1.951 -9.171 2.532 1.00 0.00 C ATOM 1228 NH1 ARG A 78 0.783 -8.567 2.740 1.00 0.00 N ATOM 1229 NH2 ARG A 78 2.236 -10.293 3.184 1.00 0.00 N ATOM 0 H ARG A 78 7.458 -7.658 0.284 1.00 0.00 H new ATOM 0 HA ARG A 78 5.946 -5.122 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.327 -7.411 1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.609 -5.815 1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.757 -6.131 -0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.358 -7.777 -0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.302 -6.628 1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.904 -7.583 0.126 1.00 0.00 H new ATOM 0 HE ARG A 78 3.719 -9.166 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.559 -7.705 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.112 -8.967 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.130 -10.760 3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.561 -10.688 3.839 1.00 0.00 H new ATOM 1243 N SER A 79 8.571 -5.362 1.257 1.00 0.00 N ATOM 1244 CA SER A 79 9.653 -4.775 2.044 1.00 0.00 C ATOM 1245 C SER A 79 9.753 -3.306 1.624 1.00 0.00 C ATOM 1246 O SER A 79 10.566 -2.941 0.772 1.00 0.00 O ATOM 1247 CB SER A 79 10.948 -5.570 1.812 1.00 0.00 C ATOM 1248 OG SER A 79 10.729 -6.963 1.995 1.00 0.00 O ATOM 0 H SER A 79 8.905 -5.809 0.403 1.00 0.00 H new ATOM 0 HA SER A 79 9.467 -4.820 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.317 -5.385 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.719 -5.226 2.501 1.00 0.00 H new ATOM 0 HG SER A 79 11.566 -7.449 1.841 1.00 0.00 H new ATOM 1254 N LEU A 80 8.796 -2.501 2.088 1.00 0.00 N ATOM 1255 CA LEU A 80 8.479 -1.214 1.483 1.00 0.00 C ATOM 1256 C LEU A 80 9.659 -0.244 1.584 1.00 0.00 C ATOM 1257 O LEU A 80 10.131 0.069 2.678 1.00 0.00 O ATOM 1258 CB LEU A 80 7.211 -0.609 2.120 1.00 0.00 C ATOM 1259 CG LEU A 80 5.944 -1.490 2.062 1.00 0.00 C ATOM 1260 CD1 LEU A 80 4.731 -0.652 2.474 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.679 -2.132 0.690 1.00 0.00 C ATOM 0 H LEU A 80 8.219 -2.728 2.898 1.00 0.00 H new ATOM 0 HA LEU A 80 8.282 -1.383 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.425 -0.382 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.995 0.338 1.625 1.00 0.00 H new ATOM 0 HG LEU A 80 6.114 -2.316 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.833 -1.268 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.873 -0.281 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.622 0.191 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.771 -2.733 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.557 -1.350 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.521 -2.768 0.417 1.00 0.00 H new ATOM 1273 N GLU A 81 10.087 0.285 0.436 1.00 0.00 N ATOM 1274 CA GLU A 81 10.975 1.432 0.314 1.00 0.00 C ATOM 1275 C GLU A 81 10.154 2.706 0.552 1.00 0.00 C ATOM 1276 O GLU A 81 9.971 3.531 -0.339 1.00 0.00 O ATOM 1277 CB GLU A 81 11.679 1.438 -1.058 1.00 0.00 C ATOM 1278 CG GLU A 81 12.790 0.394 -1.188 1.00 0.00 C ATOM 1279 CD GLU A 81 13.886 0.547 -0.119 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.336 1.690 0.121 1.00 0.00 O ATOM 1281 OE2 GLU A 81 14.291 -0.467 0.493 1.00 0.00 O ATOM 0 H GLU A 81 9.810 -0.094 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 81 11.766 1.379 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.937 1.264 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.101 2.427 -1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.355 -0.603 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.241 0.473 -2.177 1.00 0.00 H new ATOM 1288 N GLY A 82 9.660 2.865 1.780 1.00 0.00 N ATOM 1289 CA GLY A 82 8.928 4.041 2.256 1.00 0.00 C ATOM 1290 C GLY A 82 9.807 5.295 2.392 1.00 0.00 C ATOM 1291 O GLY A 82 9.395 6.273 3.020 1.00 0.00 O ATOM 0 H GLY A 82 9.763 2.150 2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.110 4.253 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.480 3.814 3.223 1.00 0.00 H new ATOM 1295 N HIS A 83 11.023 5.251 1.841 1.00 0.00 N ATOM 1296 CA HIS A 83 11.934 6.379 1.676 1.00 0.00 C ATOM 1297 C HIS A 83 11.265 7.566 0.963 1.00 0.00 C ATOM 1298 O HIS A 83 10.259 7.422 0.265 1.00 0.00 O ATOM 1299 CB HIS A 83 13.191 5.905 0.919 1.00 0.00 C ATOM 1300 CG HIS A 83 14.204 5.223 1.814 1.00 0.00 C ATOM 1301 ND1 HIS A 83 14.669 3.929 1.717 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.858 5.800 2.871 1.00 0.00 C ATOM 1303 CE1 HIS A 83 15.570 3.733 2.693 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.723 4.850 3.430 1.00 0.00 N ATOM 0 H HIS A 83 11.416 4.381 1.481 1.00 0.00 H new ATOM 0 HA HIS A 83 12.220 6.741 2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.893 5.217 0.128 1.00 0.00 H new ATOM 0 HB3 HIS A 83 13.661 6.762 0.436 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.379 3.240 1.024 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.729 6.816 3.215 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.099 2.807 2.864 1.00 0.00 H new ATOM 1312 N HIS A 84 11.851 8.756 1.136 1.00 0.00 N ATOM 1313 CA HIS A 84 11.275 10.020 0.681 1.00 0.00 C ATOM 1314 C HIS A 84 11.263 10.166 -0.850 1.00 0.00 C ATOM 1315 O HIS A 84 10.411 10.884 -1.381 1.00 0.00 O ATOM 1316 CB HIS A 84 12.063 11.172 1.331 1.00 0.00 C ATOM 1317 CG HIS A 84 11.487 12.543 1.065 1.00 0.00 C ATOM 1318 ND1 HIS A 84 12.060 13.539 0.303 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.302 13.034 1.546 1.00 0.00 C ATOM 1320 CE1 HIS A 84 11.236 14.602 0.321 1.00 0.00 C ATOM 1321 NE2 HIS A 84 10.146 14.344 1.070 1.00 0.00 N ATOM 0 H HIS A 84 12.751 8.866 1.603 1.00 0.00 H new ATOM 0 HA HIS A 84 10.229 10.045 0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.101 11.009 2.408 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.090 11.145 0.968 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.608 12.504 2.182 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.422 15.533 -0.194 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.365 14.974 1.254 1.00 0.00 H new ATOM 1329 N ARG A 85 12.190 9.521 -1.571 1.00 0.00 N ATOM 1330 CA ARG A 85 12.391 9.737 -3.006 1.00 0.00 C ATOM 1331 C ARG A 85 12.840 8.458 -3.705 1.00 0.00 C ATOM 1332 O ARG A 85 13.230 7.485 -3.056 1.00 0.00 O ATOM 1333 CB ARG A 85 13.407 10.879 -3.236 1.00 0.00 C ATOM 1334 CG ARG A 85 14.791 10.641 -2.593 1.00 0.00 C ATOM 1335 CD ARG A 85 15.865 11.588 -3.147 1.00 0.00 C ATOM 1336 NE ARG A 85 16.192 11.251 -4.542 1.00 0.00 N ATOM 1337 CZ ARG A 85 16.923 11.954 -5.409 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.527 13.079 -5.035 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.039 11.510 -6.658 1.00 0.00 N ATOM 0 H ARG A 85 12.825 8.830 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 85 11.435 10.027 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.538 11.022 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.990 11.805 -2.840 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.715 10.774 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.096 9.609 -2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.512 12.618 -3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.763 11.525 -2.533 1.00 0.00 H new ATOM 0 HE ARG A 85 15.812 10.370 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.434 13.413 -4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.083 13.607 -5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.573 10.647 -6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.593 12.033 -7.336 1.00 0.00 H new ATOM 1353 N PHE A 86 12.799 8.470 -5.037 1.00 0.00 N ATOM 1354 CA PHE A 86 13.512 7.512 -5.867 1.00 0.00 C ATOM 1355 C PHE A 86 14.929 8.057 -6.078 1.00 0.00 C ATOM 1356 O PHE A 86 15.089 9.280 -6.128 1.00 0.00 O ATOM 1357 CB PHE A 86 12.768 7.358 -7.199 1.00 0.00 C ATOM 1358 CG PHE A 86 13.166 6.116 -7.959 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.732 4.843 -7.548 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.977 6.240 -9.093 1.00 0.00 C ATOM 1361 CE1 PHE A 86 13.158 3.701 -8.244 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.405 5.100 -9.792 1.00 0.00 C ATOM 1363 CZ PHE A 86 14.003 3.828 -9.358 1.00 0.00 C ATOM 0 H PHE A 86 12.263 9.154 -5.571 1.00 0.00 H new ATOM 0 HA PHE A 86 13.567 6.529 -5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.695 7.332 -7.008 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.960 8.234 -7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.072 4.744 -6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.276 7.220 -9.433 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.835 2.722 -7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.040 5.202 -10.659 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.344 2.946 -9.881 1.00 0.00 H new ATOM 1373 N SER A 87 15.940 7.198 -6.215 1.00 0.00 N ATOM 1374 CA SER A 87 17.347 7.608 -6.211 1.00 0.00 C ATOM 1375 C SER A 87 18.165 6.866 -7.276 1.00 0.00 C ATOM 1376 O SER A 87 17.764 5.801 -7.757 1.00 0.00 O ATOM 1377 CB SER A 87 17.922 7.375 -4.807 1.00 0.00 C ATOM 1378 OG SER A 87 17.189 8.117 -3.843 1.00 0.00 O ATOM 0 H SER A 87 15.806 6.194 -6.332 1.00 0.00 H new ATOM 0 HA SER A 87 17.408 8.667 -6.463 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.885 6.313 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.971 7.671 -4.783 1.00 0.00 H new ATOM 0 HG SER A 87 17.565 7.958 -2.952 1.00 0.00 H new ATOM 1384 N ILE A 88 19.307 7.433 -7.670 1.00 0.00 N ATOM 1385 CA ILE A 88 20.308 6.763 -8.500 1.00 0.00 C ATOM 1386 C ILE A 88 21.452 6.414 -7.547 1.00 0.00 C ATOM 1387 O ILE A 88 21.787 7.206 -6.661 1.00 0.00 O ATOM 1388 CB ILE A 88 20.819 7.656 -9.674 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.687 8.363 -10.449 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.632 6.807 -10.670 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.124 9.302 -11.581 1.00 0.00 C ATOM 0 H ILE A 88 19.566 8.387 -7.417 1.00 0.00 H new ATOM 0 HA ILE A 88 19.879 5.884 -8.981 1.00 0.00 H new ATOM 0 HB ILE A 88 21.437 8.427 -9.214 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.032 7.600 -10.870 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.092 8.937 -9.738 1.00 0.00 H new ATOM 0 HG21 ILE A 88 21.984 7.440 -11.485 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.487 6.365 -10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.001 6.014 -11.072 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.243 9.740 -12.051 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.750 10.096 -11.174 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.689 8.739 -12.323 1.00 0.00 H new ATOM 1403 N VAL A 89 22.082 5.265 -7.765 1.00 0.00 N ATOM 1404 CA VAL A 89 23.401 4.960 -7.230 1.00 0.00 C ATOM 1405 C VAL A 89 24.267 4.781 -8.474 1.00 0.00 C ATOM 1406 O VAL A 89 23.824 4.162 -9.445 1.00 0.00 O ATOM 1407 CB VAL A 89 23.375 3.714 -6.315 1.00 0.00 C ATOM 1408 CG1 VAL A 89 24.582 3.726 -5.368 1.00 0.00 C ATOM 1409 CG2 VAL A 89 22.085 3.596 -5.479 1.00 0.00 C ATOM 0 H VAL A 89 21.685 4.511 -8.325 1.00 0.00 H new ATOM 0 HA VAL A 89 23.792 5.744 -6.581 1.00 0.00 H new ATOM 0 HB VAL A 89 23.414 2.851 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 89 24.552 2.843 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.503 3.720 -5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 89 24.550 4.623 -4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.133 2.700 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.984 4.473 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.225 3.531 -6.145 1.00 0.00 H new ATOM 1419 N TYR A 90 25.455 5.387 -8.493 1.00 0.00 N ATOM 1420 CA TYR A 90 26.229 5.544 -9.724 1.00 0.00 C ATOM 1421 C TYR A 90 27.216 4.392 -9.953 1.00 0.00 C ATOM 1422 O TYR A 90 27.808 4.307 -11.031 1.00 0.00 O ATOM 1423 CB TYR A 90 26.911 6.920 -9.723 1.00 0.00 C ATOM 1424 CG TYR A 90 25.917 8.066 -9.638 1.00 0.00 C ATOM 1425 CD1 TYR A 90 25.128 8.393 -10.759 1.00 0.00 C ATOM 1426 CD2 TYR A 90 25.735 8.768 -8.429 1.00 0.00 C ATOM 1427 CE1 TYR A 90 24.161 9.410 -10.676 1.00 0.00 C ATOM 1428 CE2 TYR A 90 24.769 9.786 -8.338 1.00 0.00 C ATOM 1429 CZ TYR A 90 23.973 10.110 -9.462 1.00 0.00 C ATOM 1430 OH TYR A 90 23.027 11.088 -9.390 1.00 0.00 O ATOM 0 H TYR A 90 25.904 5.779 -7.665 1.00 0.00 H new ATOM 0 HA TYR A 90 25.546 5.498 -10.572 1.00 0.00 H new ATOM 0 HB2 TYR A 90 27.600 6.979 -8.881 1.00 0.00 H new ATOM 0 HB3 TYR A 90 27.506 7.027 -10.630 1.00 0.00 H new ATOM 0 HD1 TYR A 90 25.267 7.859 -11.687 1.00 0.00 H new ATOM 0 HD2 TYR A 90 26.340 8.523 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 90 23.562 9.657 -11.540 1.00 0.00 H new ATOM 0 HE2 TYR A 90 24.635 10.321 -7.409 1.00 0.00 H new ATOM 0 HH TYR A 90 23.021 11.472 -8.488 1.00 0.00 H new ATOM 1440 N SER A 91 27.377 3.494 -8.975 1.00 0.00 N ATOM 1441 CA SER A 91 27.991 2.187 -9.177 1.00 0.00 C ATOM 1442 C SER A 91 27.133 1.433 -10.186 1.00 0.00 C ATOM 1443 O SER A 91 27.609 1.143 -11.302 1.00 0.00 O ATOM 1444 CB SER A 91 28.077 1.435 -7.843 1.00 0.00 C ATOM 1445 OG SER A 91 28.719 2.236 -6.856 1.00 0.00 O ATOM 1446 OXT SER A 91 25.931 1.233 -9.901 1.00 0.00 O ATOM 0 H SER A 91 27.080 3.660 -8.013 1.00 0.00 H new ATOM 0 HA SER A 91 29.008 2.284 -9.557 1.00 0.00 H new ATOM 0 HB2 SER A 91 27.076 1.166 -7.506 1.00 0.00 H new ATOM 0 HB3 SER A 91 28.628 0.505 -7.979 1.00 0.00 H new ATOM 0 HG SER A 91 28.763 1.741 -6.011 1.00 0.00 H new TER 1452 SER A 91