USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 Single : A 4 LYS NZ :NH3+ -147:sc= -0.0818 (180deg=-1.27) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -84:sc= -7.26! USER MOD Single : A 10 MET CE :methyl 176:sc= -18.5! (180deg=-19.5!) USER MOD Single : A 13 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.439) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -139:sc= 0.51! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 98:sc= 0.132 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0142) USER MOD Single : A 32 TYR OH : rot 180:sc= -3.01! USER MOD Single : A 33 HIS : no HD1:sc= -3.55! C(o=-3.5!,f=-8.7!) USER MOD Single : A 37 SER OG : rot -100:sc= -5.29! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -106:sc= 0.618 USER MOD Single : A 60 GLN : amide:sc= -0.0621 K(o=-0.062,f=-2.2!) USER MOD Single : A 65 TYR OH : rot -97:sc= -7.43! USER MOD Single : A 67 GLN : amide:sc= -2.32 X(o=-2.3,f=-2.3!) USER MOD Single : A 68 MET CE :methyl -129:sc= -13.1! (180deg=-19.5!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.721 F(o=-1.3,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 2.712 -2.126 -6.812 1.00 4.41 N ATOM 2 CA GLU A 2 2.458 -0.658 -6.828 1.00 61.42 C ATOM 3 C GLU A 2 3.285 -0.010 -7.939 1.00 63.44 C ATOM 4 O GLU A 2 4.497 -0.096 -7.949 1.00 30.32 O ATOM 5 CB GLU A 2 2.914 -0.161 -5.455 1.00 52.11 C ATOM 6 CG GLU A 2 4.269 -0.782 -5.113 1.00 21.51 C ATOM 7 CD GLU A 2 5.043 0.153 -4.182 1.00 14.23 C ATOM 8 OE1 GLU A 2 5.412 1.228 -4.626 1.00 61.02 O ATOM 9 OE2 GLU A 2 5.256 -0.223 -3.042 1.00 10.53 O ATOM 0 HA GLU A 2 1.413 -0.413 -7.016 1.00 61.42 H new ATOM 0 HB2 GLU A 2 2.990 0.926 -5.457 1.00 52.11 H new ATOM 0 HB3 GLU A 2 2.178 -0.428 -4.697 1.00 52.11 H new ATOM 0 HG2 GLU A 2 4.126 -1.751 -4.635 1.00 21.51 H new ATOM 0 HG3 GLU A 2 4.840 -0.958 -6.025 1.00 21.51 H new ATOM 16 N LEU A 3 2.646 0.624 -8.883 1.00 72.41 N ATOM 17 CA LEU A 3 3.415 1.255 -9.992 1.00 45.45 C ATOM 18 C LEU A 3 3.058 2.714 -10.170 1.00 34.24 C ATOM 19 O LEU A 3 1.935 3.062 -10.478 1.00 21.23 O ATOM 20 CB LEU A 3 2.999 0.510 -11.261 1.00 21.01 C ATOM 21 CG LEU A 3 3.936 0.847 -12.417 1.00 74.30 C ATOM 22 CD1 LEU A 3 3.796 2.323 -12.746 1.00 52.32 C ATOM 23 CD2 LEU A 3 5.380 0.570 -12.034 1.00 1.23 C ATOM 0 H LEU A 3 1.633 0.732 -8.935 1.00 72.41 H new ATOM 0 HA LEU A 3 4.483 1.199 -9.780 1.00 45.45 H new ATOM 0 HB2 LEU A 3 3.011 -0.564 -11.078 1.00 21.01 H new ATOM 0 HB3 LEU A 3 1.976 0.777 -11.526 1.00 21.01 H new ATOM 0 HG LEU A 3 3.672 0.231 -13.276 1.00 74.30 H new ATOM 0 HD11 LEU A 3 4.461 2.576 -13.571 1.00 52.32 H new ATOM 0 HD12 LEU A 3 2.766 2.536 -13.032 1.00 52.32 H new ATOM 0 HD13 LEU A 3 4.060 2.917 -11.871 1.00 52.32 H new ATOM 0 HD21 LEU A 3 6.032 0.817 -12.872 1.00 1.23 H new ATOM 0 HD22 LEU A 3 5.651 1.179 -11.172 1.00 1.23 H new ATOM 0 HD23 LEU A 3 5.494 -0.485 -11.784 1.00 1.23 H new ATOM 35 N LYS A 4 4.031 3.559 -10.094 1.00 15.35 N ATOM 36 CA LYS A 4 3.770 4.971 -10.387 1.00 72.54 C ATOM 37 C LYS A 4 3.643 5.041 -11.872 1.00 72.35 C ATOM 38 O LYS A 4 4.610 4.963 -12.568 1.00 55.44 O ATOM 39 CB LYS A 4 4.989 5.734 -9.927 1.00 61.20 C ATOM 40 CG LYS A 4 4.530 6.937 -9.131 1.00 72.13 C ATOM 41 CD LYS A 4 5.257 8.189 -9.620 1.00 73.44 C ATOM 42 CE LYS A 4 5.668 9.035 -8.416 1.00 63.20 C ATOM 43 NZ LYS A 4 4.406 9.249 -7.655 1.00 62.25 N ATOM 0 H LYS A 4 4.993 3.330 -9.842 1.00 15.35 H new ATOM 0 HA LYS A 4 2.882 5.377 -9.903 1.00 72.54 H new ATOM 0 HB2 LYS A 4 5.627 5.096 -9.315 1.00 61.20 H new ATOM 0 HB3 LYS A 4 5.583 6.051 -10.784 1.00 61.20 H new ATOM 0 HG2 LYS A 4 3.453 7.066 -9.238 1.00 72.13 H new ATOM 0 HG3 LYS A 4 4.729 6.781 -8.071 1.00 72.13 H new ATOM 0 HD2 LYS A 4 6.136 7.910 -10.200 1.00 73.44 H new ATOM 0 HD3 LYS A 4 4.609 8.766 -10.280 1.00 73.44 H new ATOM 0 HE2 LYS A 4 6.414 8.523 -7.809 1.00 63.20 H new ATOM 0 HE3 LYS A 4 6.107 9.982 -8.729 1.00 63.20 H new ATOM 0 HZ1 LYS A 4 4.430 10.183 -7.199 1.00 62.25 H new ATOM 0 HZ2 LYS A 4 3.596 9.202 -8.306 1.00 62.25 H new ATOM 0 HZ3 LYS A 4 4.309 8.511 -6.928 1.00 62.25 H new ATOM 57 N ASP A 5 2.465 5.126 -12.365 1.00 2.23 N ATOM 58 CA ASP A 5 2.309 5.102 -13.834 1.00 0.51 C ATOM 59 C ASP A 5 3.020 6.286 -14.474 1.00 52.04 C ATOM 60 O ASP A 5 2.419 7.159 -15.037 1.00 21.41 O ATOM 61 CB ASP A 5 0.804 5.153 -14.092 1.00 61.42 C ATOM 62 CG ASP A 5 0.083 4.200 -13.134 1.00 62.02 C ATOM 63 OD1 ASP A 5 -0.007 4.526 -11.962 1.00 24.11 O ATOM 64 OD2 ASP A 5 -0.366 3.161 -13.589 1.00 11.13 O ATOM 0 H ASP A 5 1.602 5.211 -11.827 1.00 2.23 H new ATOM 0 HA ASP A 5 2.754 4.208 -14.271 1.00 0.51 H new ATOM 0 HB2 ASP A 5 0.436 6.170 -13.954 1.00 61.42 H new ATOM 0 HB3 ASP A 5 0.593 4.875 -15.124 1.00 61.42 H new ATOM 69 N TYR A 6 4.323 6.297 -14.403 1.00 74.23 N ATOM 70 CA TYR A 6 5.112 7.381 -15.035 1.00 51.01 C ATOM 71 C TYR A 6 4.529 7.714 -16.333 1.00 52.02 C ATOM 72 O TYR A 6 4.146 8.821 -16.625 1.00 54.12 O ATOM 73 CB TYR A 6 6.433 6.768 -15.325 1.00 34.20 C ATOM 74 CG TYR A 6 7.145 6.603 -14.061 1.00 34.42 C ATOM 75 CD1 TYR A 6 7.075 7.547 -13.045 1.00 45.43 C ATOM 76 CD2 TYR A 6 7.857 5.475 -13.911 1.00 34.31 C ATOM 77 CE1 TYR A 6 7.755 7.327 -11.875 1.00 35.54 C ATOM 78 CE2 TYR A 6 8.528 5.218 -12.754 1.00 14.14 C ATOM 79 CZ TYR A 6 8.495 6.148 -11.708 1.00 30.21 C ATOM 80 OH TYR A 6 9.168 5.903 -10.529 1.00 22.44 O ATOM 0 H TYR A 6 4.879 5.587 -13.925 1.00 74.23 H new ATOM 0 HA TYR A 6 5.152 8.266 -14.400 1.00 51.01 H new ATOM 0 HB2 TYR A 6 6.305 5.804 -15.818 1.00 34.20 H new ATOM 0 HB3 TYR A 6 7.005 7.400 -16.004 1.00 34.20 H new ATOM 0 HD1 TYR A 6 6.491 8.446 -13.175 1.00 45.43 H new ATOM 0 HD2 TYR A 6 7.898 4.761 -14.720 1.00 34.31 H new ATOM 0 HE1 TYR A 6 7.721 8.061 -11.083 1.00 35.54 H new ATOM 0 HE2 TYR A 6 9.084 4.299 -12.644 1.00 14.14 H new ATOM 0 HH TYR A 6 9.627 5.039 -10.588 1.00 22.44 H new ATOM 90 N TYR A 7 4.489 6.731 -17.134 1.00 22.20 N ATOM 91 CA TYR A 7 3.965 6.924 -18.449 1.00 64.42 C ATOM 92 C TYR A 7 2.732 7.730 -18.378 1.00 53.00 C ATOM 93 O TYR A 7 2.421 8.554 -19.212 1.00 54.33 O ATOM 94 CB TYR A 7 3.663 5.532 -18.943 1.00 32.34 C ATOM 95 CG TYR A 7 4.945 4.831 -19.177 1.00 74.54 C ATOM 96 CD1 TYR A 7 6.066 5.563 -19.546 1.00 31.41 C ATOM 97 CD2 TYR A 7 4.997 3.457 -19.082 1.00 23.30 C ATOM 98 CE1 TYR A 7 7.255 4.927 -19.815 1.00 63.44 C ATOM 99 CE2 TYR A 7 6.189 2.797 -19.371 1.00 52.02 C ATOM 100 CZ TYR A 7 7.325 3.532 -19.740 1.00 22.22 C ATOM 101 OH TYR A 7 8.499 2.881 -20.034 1.00 45.31 O ATOM 0 H TYR A 7 4.806 5.785 -16.921 1.00 22.20 H new ATOM 0 HA TYR A 7 4.654 7.451 -19.109 1.00 64.42 H new ATOM 0 HB2 TYR A 7 3.063 4.991 -18.211 1.00 32.34 H new ATOM 0 HB3 TYR A 7 3.080 5.574 -19.863 1.00 32.34 H new ATOM 0 HD1 TYR A 7 6.003 6.638 -19.622 1.00 31.41 H new ATOM 0 HD2 TYR A 7 4.122 2.897 -18.786 1.00 23.30 H new ATOM 0 HE1 TYR A 7 8.130 5.501 -20.083 1.00 63.44 H new ATOM 0 HE2 TYR A 7 6.238 1.720 -19.311 1.00 52.02 H new ATOM 0 HH TYR A 7 8.567 2.750 -21.003 1.00 45.31 H new ATOM 111 N ALA A 8 2.059 7.505 -17.356 1.00 5.24 N ATOM 112 CA ALA A 8 0.849 8.240 -17.140 1.00 22.15 C ATOM 113 C ALA A 8 1.255 9.611 -16.666 1.00 64.12 C ATOM 114 O ALA A 8 0.901 10.633 -17.218 1.00 41.05 O ATOM 115 CB ALA A 8 0.217 7.467 -16.006 1.00 61.30 C ATOM 0 H ALA A 8 2.296 6.824 -16.634 1.00 5.24 H new ATOM 0 HA ALA A 8 0.192 8.348 -18.003 1.00 22.15 H new ATOM 0 HB1 ALA A 8 -0.732 7.929 -15.735 1.00 61.30 H new ATOM 0 HB2 ALA A 8 0.043 6.438 -16.320 1.00 61.30 H new ATOM 0 HB3 ALA A 8 0.884 7.476 -15.144 1.00 61.30 H new ATOM 121 N ILE A 9 2.055 9.602 -15.649 1.00 1.42 N ATOM 122 CA ILE A 9 2.587 10.850 -15.095 1.00 34.21 C ATOM 123 C ILE A 9 3.018 11.735 -16.238 1.00 55.02 C ATOM 124 O ILE A 9 2.647 12.884 -16.366 1.00 33.12 O ATOM 125 CB ILE A 9 3.824 10.390 -14.343 1.00 62.41 C ATOM 126 CG1 ILE A 9 3.463 10.122 -12.908 1.00 22.25 C ATOM 127 CG2 ILE A 9 4.908 11.435 -14.413 1.00 20.14 C ATOM 128 CD1 ILE A 9 3.919 8.716 -12.613 1.00 64.43 C ATOM 0 H ILE A 9 2.366 8.757 -15.171 1.00 1.42 H new ATOM 0 HA ILE A 9 1.876 11.398 -14.477 1.00 34.21 H new ATOM 0 HB ILE A 9 4.199 9.476 -14.804 1.00 62.41 H new ATOM 0 HG12 ILE A 9 3.951 10.836 -12.244 1.00 22.25 H new ATOM 0 HG13 ILE A 9 2.389 10.223 -12.752 1.00 22.25 H new ATOM 0 HG21 ILE A 9 5.785 11.086 -13.868 1.00 20.14 H new ATOM 0 HG22 ILE A 9 5.175 11.613 -15.455 1.00 20.14 H new ATOM 0 HG23 ILE A 9 4.549 12.362 -13.967 1.00 20.14 H new ATOM 0 HD11 ILE A 9 3.681 8.466 -11.579 1.00 64.43 H new ATOM 0 HD12 ILE A 9 3.410 8.021 -13.281 1.00 64.43 H new ATOM 0 HD13 ILE A 9 4.996 8.643 -12.766 1.00 64.43 H new ATOM 140 N MET A 10 3.860 11.170 -17.039 1.00 61.33 N ATOM 141 CA MET A 10 4.428 11.889 -18.169 1.00 64.12 C ATOM 142 C MET A 10 3.468 11.934 -19.356 1.00 62.23 C ATOM 143 O MET A 10 3.820 12.324 -20.452 1.00 30.24 O ATOM 144 CB MET A 10 5.724 11.161 -18.423 1.00 30.35 C ATOM 145 CG MET A 10 5.505 9.766 -18.987 1.00 14.55 C ATOM 146 SD MET A 10 6.901 9.377 -20.060 1.00 54.23 S ATOM 147 CE MET A 10 8.179 10.214 -19.081 1.00 44.05 C ATOM 0 H MET A 10 4.182 10.207 -16.944 1.00 61.33 H new ATOM 0 HA MET A 10 4.606 12.948 -17.980 1.00 64.12 H new ATOM 0 HB2 MET A 10 6.332 11.740 -19.118 1.00 30.35 H new ATOM 0 HB3 MET A 10 6.286 11.089 -17.492 1.00 30.35 H new ATOM 0 HG2 MET A 10 5.428 9.036 -18.181 1.00 14.55 H new ATOM 0 HG3 MET A 10 4.570 9.723 -19.546 1.00 14.55 H new ATOM 0 HE1 MET A 10 9.156 10.039 -19.532 1.00 44.05 H new ATOM 0 HE2 MET A 10 7.977 11.285 -19.058 1.00 44.05 H new ATOM 0 HE3 MET A 10 8.174 9.822 -18.064 1.00 44.05 H new ATOM 157 N GLY A 11 2.245 11.569 -19.118 1.00 34.43 N ATOM 158 CA GLY A 11 1.210 11.616 -20.200 1.00 73.25 C ATOM 159 C GLY A 11 1.779 10.910 -21.407 1.00 0.11 C ATOM 160 O GLY A 11 2.179 11.514 -22.381 1.00 1.54 O ATOM 0 H GLY A 11 1.907 11.236 -18.215 1.00 34.43 H new ATOM 0 HA2 GLY A 11 0.290 11.132 -19.871 1.00 73.25 H new ATOM 0 HA3 GLY A 11 0.957 12.648 -20.444 1.00 73.25 H new ATOM 164 N VAL A 12 1.888 9.634 -21.301 1.00 1.13 N ATOM 165 CA VAL A 12 2.508 8.845 -22.361 1.00 4.23 C ATOM 166 C VAL A 12 1.780 7.530 -22.539 1.00 54.34 C ATOM 167 O VAL A 12 0.626 7.357 -22.202 1.00 21.40 O ATOM 168 CB VAL A 12 3.883 8.628 -21.748 1.00 54.14 C ATOM 169 CG1 VAL A 12 4.018 7.321 -21.054 1.00 31.13 C ATOM 170 CG2 VAL A 12 4.974 8.655 -22.703 1.00 41.32 C ATOM 0 H VAL A 12 1.563 9.093 -20.500 1.00 1.13 H new ATOM 0 HA VAL A 12 2.510 9.305 -23.349 1.00 4.23 H new ATOM 0 HB VAL A 12 3.954 9.466 -21.054 1.00 54.14 H new ATOM 0 HG11 VAL A 12 5.022 7.231 -20.640 1.00 31.13 H new ATOM 0 HG12 VAL A 12 3.286 7.260 -20.248 1.00 31.13 H new ATOM 0 HG13 VAL A 12 3.844 6.512 -21.764 1.00 31.13 H new ATOM 0 HG21 VAL A 12 5.918 8.492 -22.182 1.00 41.32 H new ATOM 0 HG22 VAL A 12 4.828 7.869 -23.444 1.00 41.32 H new ATOM 0 HG23 VAL A 12 4.997 9.624 -23.202 1.00 41.32 H new ATOM 180 N LYS A 13 2.501 6.614 -23.050 1.00 13.03 N ATOM 181 CA LYS A 13 1.988 5.253 -23.275 1.00 13.34 C ATOM 182 C LYS A 13 2.623 4.309 -22.253 1.00 14.21 C ATOM 183 O LYS A 13 3.759 4.498 -21.863 1.00 51.44 O ATOM 184 CB LYS A 13 2.495 4.959 -24.659 1.00 73.32 C ATOM 185 CG LYS A 13 1.540 5.562 -25.691 1.00 74.52 C ATOM 186 CD LYS A 13 2.174 6.819 -26.288 1.00 22.34 C ATOM 187 CE LYS A 13 1.423 8.063 -25.807 1.00 45.43 C ATOM 188 NZ LYS A 13 2.051 9.197 -26.543 1.00 65.24 N ATOM 0 H LYS A 13 3.470 6.749 -23.337 1.00 13.03 H new ATOM 0 HA LYS A 13 0.908 5.143 -23.177 1.00 13.34 H new ATOM 0 HB2 LYS A 13 3.495 5.374 -24.787 1.00 73.32 H new ATOM 0 HB3 LYS A 13 2.575 3.882 -24.807 1.00 73.32 H new ATOM 0 HG2 LYS A 13 1.331 4.837 -26.478 1.00 74.52 H new ATOM 0 HG3 LYS A 13 0.587 5.808 -25.222 1.00 74.52 H new ATOM 0 HD2 LYS A 13 3.222 6.881 -25.996 1.00 22.34 H new ATOM 0 HD3 LYS A 13 2.149 6.767 -27.376 1.00 22.34 H new ATOM 0 HE2 LYS A 13 0.358 7.991 -26.026 1.00 45.43 H new ATOM 0 HE3 LYS A 13 1.519 8.190 -24.729 1.00 45.43 H new ATOM 0 HZ1 LYS A 13 1.372 9.982 -26.616 1.00 65.24 H new ATOM 0 HZ2 LYS A 13 2.897 9.517 -26.030 1.00 65.24 H new ATOM 0 HZ3 LYS A 13 2.322 8.884 -27.497 1.00 65.24 H new ATOM 202 N PRO A 14 1.876 3.331 -21.841 1.00 0.53 N ATOM 203 CA PRO A 14 2.392 2.370 -20.843 1.00 65.41 C ATOM 204 C PRO A 14 3.384 1.387 -21.475 1.00 50.04 C ATOM 205 O PRO A 14 4.112 0.704 -20.783 1.00 40.21 O ATOM 206 CB PRO A 14 1.144 1.648 -20.366 1.00 51.24 C ATOM 207 CG PRO A 14 0.164 1.769 -21.492 1.00 43.33 C ATOM 208 CD PRO A 14 0.504 3.028 -22.251 1.00 32.40 C ATOM 0 HA PRO A 14 2.939 2.857 -20.036 1.00 65.41 H new ATOM 0 HB2 PRO A 14 1.356 0.603 -20.140 1.00 51.24 H new ATOM 0 HB3 PRO A 14 0.753 2.099 -19.454 1.00 51.24 H new ATOM 0 HG2 PRO A 14 0.221 0.899 -22.146 1.00 43.33 H new ATOM 0 HG3 PRO A 14 -0.856 1.814 -21.110 1.00 43.33 H new ATOM 0 HD2 PRO A 14 0.434 2.876 -23.328 1.00 32.40 H new ATOM 0 HD3 PRO A 14 -0.176 3.842 -21.999 1.00 32.40 H new ATOM 216 N THR A 15 3.421 1.300 -22.777 1.00 74.24 N ATOM 217 CA THR A 15 4.371 0.344 -23.424 1.00 50.01 C ATOM 218 C THR A 15 5.064 0.993 -24.622 1.00 63.23 C ATOM 219 O THR A 15 5.386 0.337 -25.593 1.00 23.41 O ATOM 220 CB THR A 15 3.509 -0.833 -23.885 1.00 43.11 C ATOM 221 OG1 THR A 15 2.865 -0.496 -25.105 1.00 11.40 O ATOM 222 CG2 THR A 15 2.458 -1.155 -22.821 1.00 0.31 C ATOM 0 H THR A 15 2.842 1.843 -23.417 1.00 74.24 H new ATOM 0 HA THR A 15 5.157 0.033 -22.736 1.00 50.01 H new ATOM 0 HB THR A 15 4.143 -1.707 -24.036 1.00 43.11 H new ATOM 0 HG1 THR A 15 2.314 -1.249 -25.403 1.00 11.40 H new ATOM 0 HG21 THR A 15 1.847 -1.994 -23.155 1.00 0.31 H new ATOM 0 HG22 THR A 15 2.955 -1.417 -21.887 1.00 0.31 H new ATOM 0 HG23 THR A 15 1.822 -0.284 -22.662 1.00 0.31 H new ATOM 230 N ASP A 16 5.299 2.271 -24.564 1.00 41.01 N ATOM 231 CA ASP A 16 5.975 2.953 -25.702 1.00 14.02 C ATOM 232 C ASP A 16 7.499 2.916 -25.527 1.00 12.51 C ATOM 233 O ASP A 16 8.029 2.090 -24.810 1.00 14.04 O ATOM 234 CB ASP A 16 5.444 4.371 -25.679 1.00 52.13 C ATOM 235 CG ASP A 16 4.309 4.474 -26.704 1.00 42.44 C ATOM 236 OD1 ASP A 16 3.635 3.479 -26.908 1.00 4.44 O ATOM 237 OD2 ASP A 16 4.135 5.537 -27.269 1.00 63.30 O ATOM 0 H ASP A 16 5.053 2.874 -23.779 1.00 41.01 H new ATOM 0 HA ASP A 16 5.774 2.468 -26.657 1.00 14.02 H new ATOM 0 HB2 ASP A 16 5.081 4.625 -24.683 1.00 52.13 H new ATOM 0 HB3 ASP A 16 6.238 5.078 -25.919 1.00 52.13 H new ATOM 242 N ASP A 17 8.208 3.798 -26.179 1.00 50.30 N ATOM 243 CA ASP A 17 9.695 3.808 -26.056 1.00 64.42 C ATOM 244 C ASP A 17 10.148 5.165 -25.527 1.00 12.21 C ATOM 245 O ASP A 17 9.343 6.051 -25.320 1.00 44.23 O ATOM 246 CB ASP A 17 10.202 3.586 -27.481 1.00 0.41 C ATOM 247 CG ASP A 17 11.731 3.627 -27.503 1.00 44.53 C ATOM 248 OD1 ASP A 17 12.333 3.031 -26.625 1.00 71.43 O ATOM 249 OD2 ASP A 17 12.273 4.255 -28.397 1.00 22.03 O ATOM 0 H ASP A 17 7.820 4.514 -26.793 1.00 50.30 H new ATOM 0 HA ASP A 17 10.073 3.050 -25.370 1.00 64.42 H new ATOM 0 HB2 ASP A 17 9.850 2.625 -27.856 1.00 0.41 H new ATOM 0 HB3 ASP A 17 9.800 4.353 -28.143 1.00 0.41 H new ATOM 254 N LEU A 18 11.418 5.351 -25.293 1.00 34.12 N ATOM 255 CA LEU A 18 11.856 6.665 -24.771 1.00 40.35 C ATOM 256 C LEU A 18 11.407 7.773 -25.719 1.00 0.34 C ATOM 257 O LEU A 18 11.154 8.888 -25.306 1.00 61.24 O ATOM 258 CB LEU A 18 13.388 6.608 -24.687 1.00 43.43 C ATOM 259 CG LEU A 18 13.907 6.952 -23.270 1.00 71.52 C ATOM 260 CD1 LEU A 18 15.024 7.991 -23.384 1.00 55.20 C ATOM 261 CD2 LEU A 18 12.818 7.559 -22.396 1.00 72.41 C ATOM 0 H LEU A 18 12.155 4.661 -25.439 1.00 34.12 H new ATOM 0 HA LEU A 18 11.423 6.876 -23.793 1.00 40.35 H new ATOM 0 HB2 LEU A 18 13.729 5.611 -24.965 1.00 43.43 H new ATOM 0 HB3 LEU A 18 13.816 7.304 -25.408 1.00 43.43 H new ATOM 0 HG LEU A 18 14.255 6.023 -22.818 1.00 71.52 H new ATOM 0 HD11 LEU A 18 15.394 8.238 -22.389 1.00 55.20 H new ATOM 0 HD12 LEU A 18 15.839 7.585 -23.984 1.00 55.20 H new ATOM 0 HD13 LEU A 18 14.636 8.891 -23.861 1.00 55.20 H new ATOM 0 HD21 LEU A 18 13.226 7.785 -21.411 1.00 72.41 H new ATOM 0 HD22 LEU A 18 12.451 8.477 -22.856 1.00 72.41 H new ATOM 0 HD23 LEU A 18 11.996 6.851 -22.294 1.00 72.41 H new ATOM 273 N LYS A 19 11.288 7.480 -26.986 1.00 53.33 N ATOM 274 CA LYS A 19 10.836 8.533 -27.932 1.00 52.24 C ATOM 275 C LYS A 19 9.486 9.042 -27.446 1.00 12.51 C ATOM 276 O LYS A 19 9.259 10.232 -27.321 1.00 0.03 O ATOM 277 CB LYS A 19 10.704 7.825 -29.284 1.00 31.35 C ATOM 278 CG LYS A 19 10.678 8.858 -30.413 1.00 24.44 C ATOM 279 CD LYS A 19 11.134 8.198 -31.718 1.00 60.04 C ATOM 280 CE LYS A 19 10.306 8.741 -32.888 1.00 23.04 C ATOM 281 NZ LYS A 19 10.992 8.236 -34.111 1.00 63.13 N ATOM 0 H LYS A 19 11.482 6.568 -27.400 1.00 53.33 H new ATOM 0 HA LYS A 19 11.515 9.382 -28.006 1.00 52.24 H new ATOM 0 HB2 LYS A 19 11.538 7.138 -29.427 1.00 31.35 H new ATOM 0 HB3 LYS A 19 9.792 7.228 -29.304 1.00 31.35 H new ATOM 0 HG2 LYS A 19 9.672 9.261 -30.529 1.00 24.44 H new ATOM 0 HG3 LYS A 19 11.331 9.696 -30.169 1.00 24.44 H new ATOM 0 HD2 LYS A 19 12.193 8.396 -31.886 1.00 60.04 H new ATOM 0 HD3 LYS A 19 11.019 7.116 -31.649 1.00 60.04 H new ATOM 0 HE2 LYS A 19 9.275 8.389 -32.839 1.00 23.04 H new ATOM 0 HE3 LYS A 19 10.272 9.830 -32.876 1.00 23.04 H new ATOM 0 HZ1 LYS A 19 10.483 8.566 -34.956 1.00 63.13 H new ATOM 0 HZ2 LYS A 19 11.969 8.593 -34.133 1.00 63.13 H new ATOM 0 HZ3 LYS A 19 11.003 7.196 -34.098 1.00 63.13 H new ATOM 295 N THR A 20 8.607 8.141 -27.109 1.00 0.12 N ATOM 296 CA THR A 20 7.292 8.563 -26.570 1.00 70.35 C ATOM 297 C THR A 20 7.508 9.172 -25.213 1.00 40.05 C ATOM 298 O THR A 20 7.063 10.261 -24.910 1.00 32.33 O ATOM 299 CB THR A 20 6.491 7.282 -26.354 1.00 64.04 C ATOM 300 OG1 THR A 20 6.005 6.796 -27.593 1.00 13.01 O ATOM 301 CG2 THR A 20 5.336 7.565 -25.394 1.00 13.43 C ATOM 0 H THR A 20 8.745 7.133 -27.184 1.00 0.12 H new ATOM 0 HA THR A 20 6.796 9.268 -27.237 1.00 70.35 H new ATOM 0 HB THR A 20 7.135 6.518 -25.919 1.00 64.04 H new ATOM 0 HG1 THR A 20 5.084 6.480 -27.482 1.00 13.01 H new ATOM 0 HG21 THR A 20 4.761 6.652 -25.237 1.00 13.43 H new ATOM 0 HG22 THR A 20 5.733 7.913 -24.440 1.00 13.43 H new ATOM 0 HG23 THR A 20 4.689 8.332 -25.819 1.00 13.43 H new ATOM 309 N ILE A 21 8.133 8.415 -24.366 1.00 42.32 N ATOM 310 CA ILE A 21 8.321 8.874 -23.001 1.00 53.23 C ATOM 311 C ILE A 21 8.863 10.282 -22.973 1.00 2.41 C ATOM 312 O ILE A 21 8.231 11.152 -22.435 1.00 35.21 O ATOM 313 CB ILE A 21 9.306 7.920 -22.428 1.00 63.42 C ATOM 314 CG1 ILE A 21 8.642 6.557 -22.294 1.00 31.41 C ATOM 315 CG2 ILE A 21 9.730 8.440 -21.067 1.00 14.13 C ATOM 316 CD1 ILE A 21 9.684 5.576 -21.815 1.00 13.43 C ATOM 0 H ILE A 21 8.519 7.494 -24.576 1.00 42.32 H new ATOM 0 HA ILE A 21 7.387 8.900 -22.440 1.00 53.23 H new ATOM 0 HB ILE A 21 10.182 7.825 -23.069 1.00 63.42 H new ATOM 0 HG12 ILE A 21 7.812 6.605 -21.590 1.00 31.41 H new ATOM 0 HG13 ILE A 21 8.230 6.238 -23.251 1.00 31.41 H new ATOM 0 HG21 ILE A 21 10.454 7.755 -20.625 1.00 14.13 H new ATOM 0 HG22 ILE A 21 10.183 9.425 -21.179 1.00 14.13 H new ATOM 0 HG23 ILE A 21 8.858 8.514 -20.418 1.00 14.13 H new ATOM 0 HD11 ILE A 21 9.234 4.589 -21.710 1.00 13.43 H new ATOM 0 HD12 ILE A 21 10.498 5.528 -22.538 1.00 13.43 H new ATOM 0 HD13 ILE A 21 10.074 5.901 -20.850 1.00 13.43 H new ATOM 328 N LYS A 22 10.006 10.556 -23.539 1.00 63.24 N ATOM 329 CA LYS A 22 10.439 11.966 -23.459 1.00 30.00 C ATOM 330 C LYS A 22 9.478 12.804 -24.233 1.00 53.41 C ATOM 331 O LYS A 22 9.122 13.868 -23.815 1.00 71.14 O ATOM 332 CB LYS A 22 11.829 12.121 -24.007 1.00 32.41 C ATOM 333 CG LYS A 22 12.468 13.207 -23.149 1.00 63.12 C ATOM 334 CD LYS A 22 13.820 13.623 -23.691 1.00 2.42 C ATOM 335 CE LYS A 22 14.819 13.797 -22.553 1.00 61.40 C ATOM 336 NZ LYS A 22 15.264 15.216 -22.643 1.00 12.43 N ATOM 0 H LYS A 22 10.623 9.905 -24.025 1.00 63.24 H new ATOM 0 HA LYS A 22 10.452 12.287 -22.418 1.00 30.00 H new ATOM 0 HB2 LYS A 22 12.386 11.186 -23.942 1.00 32.41 H new ATOM 0 HB3 LYS A 22 11.810 12.408 -25.058 1.00 32.41 H new ATOM 0 HG2 LYS A 22 11.809 14.074 -23.109 1.00 63.12 H new ATOM 0 HG3 LYS A 22 12.581 12.845 -22.127 1.00 63.12 H new ATOM 0 HD2 LYS A 22 14.185 12.872 -24.392 1.00 2.42 H new ATOM 0 HD3 LYS A 22 13.725 14.557 -24.246 1.00 2.42 H new ATOM 0 HE2 LYS A 22 14.358 13.589 -21.588 1.00 61.40 H new ATOM 0 HE3 LYS A 22 15.660 13.112 -22.659 1.00 61.40 H new ATOM 0 HZ1 LYS A 22 15.954 15.412 -21.890 1.00 12.43 H new ATOM 0 HZ2 LYS A 22 15.705 15.383 -23.570 1.00 12.43 H new ATOM 0 HZ3 LYS A 22 14.443 15.845 -22.532 1.00 12.43 H new ATOM 350 N THR A 23 8.978 12.333 -25.331 1.00 35.20 N ATOM 351 CA THR A 23 7.972 13.159 -26.011 1.00 34.40 C ATOM 352 C THR A 23 6.972 13.516 -24.924 1.00 64.52 C ATOM 353 O THR A 23 6.533 14.633 -24.819 1.00 5.44 O ATOM 354 CB THR A 23 7.325 12.272 -27.066 1.00 21.45 C ATOM 355 OG1 THR A 23 7.873 12.566 -28.345 1.00 51.14 O ATOM 356 CG2 THR A 23 5.833 12.558 -27.060 1.00 13.45 C ATOM 0 H THR A 23 9.214 11.444 -25.771 1.00 35.20 H new ATOM 0 HA THR A 23 8.364 14.056 -26.490 1.00 34.40 H new ATOM 0 HB THR A 23 7.510 11.220 -26.848 1.00 21.45 H new ATOM 0 HG1 THR A 23 8.575 11.916 -28.558 1.00 51.14 H new ATOM 0 HG21 THR A 23 5.340 11.936 -27.807 1.00 13.45 H new ATOM 0 HG22 THR A 23 5.424 12.334 -26.075 1.00 13.45 H new ATOM 0 HG23 THR A 23 5.663 13.609 -27.293 1.00 13.45 H new ATOM 364 N ALA A 24 6.681 12.531 -24.096 1.00 4.11 N ATOM 365 CA ALA A 24 5.757 12.716 -22.949 1.00 42.32 C ATOM 366 C ALA A 24 6.414 13.572 -21.872 1.00 51.32 C ATOM 367 O ALA A 24 5.929 14.617 -21.535 1.00 0.24 O ATOM 368 CB ALA A 24 5.576 11.315 -22.390 1.00 41.24 C ATOM 0 H ALA A 24 7.061 11.588 -24.180 1.00 4.11 H new ATOM 0 HA ALA A 24 4.827 13.199 -23.249 1.00 42.32 H new ATOM 0 HB1 ALA A 24 4.904 11.349 -21.532 1.00 41.24 H new ATOM 0 HB2 ALA A 24 5.151 10.669 -23.158 1.00 41.24 H new ATOM 0 HB3 ALA A 24 6.543 10.920 -22.078 1.00 41.24 H new ATOM 374 N TYR A 25 7.521 13.107 -21.339 1.00 74.43 N ATOM 375 CA TYR A 25 8.238 13.846 -20.261 1.00 14.22 C ATOM 376 C TYR A 25 8.783 15.162 -20.757 1.00 73.21 C ATOM 377 O TYR A 25 8.979 16.078 -20.011 1.00 11.50 O ATOM 378 CB TYR A 25 9.414 12.937 -19.837 1.00 54.40 C ATOM 379 CG TYR A 25 10.597 13.775 -19.414 1.00 65.43 C ATOM 380 CD1 TYR A 25 11.416 14.354 -20.378 1.00 52.11 C ATOM 381 CD2 TYR A 25 10.832 14.006 -18.059 1.00 72.30 C ATOM 382 CE1 TYR A 25 12.487 15.167 -19.978 1.00 70.03 C ATOM 383 CE2 TYR A 25 11.891 14.820 -17.653 1.00 24.12 C ATOM 384 CZ TYR A 25 12.722 15.403 -18.615 1.00 14.22 C ATOM 385 OH TYR A 25 13.771 16.211 -18.225 1.00 2.21 O ATOM 0 H TYR A 25 7.962 12.229 -21.615 1.00 74.43 H new ATOM 0 HA TYR A 25 7.559 14.070 -19.438 1.00 14.22 H new ATOM 0 HB2 TYR A 25 9.105 12.290 -19.016 1.00 54.40 H new ATOM 0 HB3 TYR A 25 9.697 12.287 -20.665 1.00 54.40 H new ATOM 0 HD1 TYR A 25 11.229 14.179 -21.427 1.00 52.11 H new ATOM 0 HD2 TYR A 25 10.190 13.552 -17.318 1.00 72.30 H new ATOM 0 HE1 TYR A 25 13.132 15.612 -20.721 1.00 70.03 H new ATOM 0 HE2 TYR A 25 12.067 14.998 -16.603 1.00 24.12 H new ATOM 0 HH TYR A 25 13.792 16.270 -17.247 1.00 2.21 H new ATOM 395 N ARG A 26 9.058 15.256 -21.990 1.00 24.44 N ATOM 396 CA ARG A 26 9.622 16.522 -22.491 1.00 51.11 C ATOM 397 C ARG A 26 8.483 17.483 -22.664 1.00 73.54 C ATOM 398 O ARG A 26 8.518 18.596 -22.195 1.00 72.31 O ATOM 399 CB ARG A 26 10.311 16.184 -23.797 1.00 75.31 C ATOM 400 CG ARG A 26 11.559 17.043 -23.926 1.00 73.30 C ATOM 401 CD ARG A 26 11.438 17.935 -25.161 1.00 53.14 C ATOM 402 NE ARG A 26 12.524 17.484 -26.075 1.00 1.15 N ATOM 403 CZ ARG A 26 12.618 17.990 -27.275 1.00 4.22 C ATOM 404 NH1 ARG A 26 11.918 17.485 -28.253 1.00 65.32 N ATOM 405 NH2 ARG A 26 13.409 19.005 -27.495 1.00 4.23 N ATOM 0 H ARG A 26 8.923 14.522 -22.685 1.00 24.44 H new ATOM 0 HA ARG A 26 10.345 16.987 -21.820 1.00 51.11 H new ATOM 0 HB2 ARG A 26 10.576 15.127 -23.822 1.00 75.31 H new ATOM 0 HB3 ARG A 26 9.639 16.365 -24.636 1.00 75.31 H new ATOM 0 HG2 ARG A 26 11.686 17.655 -23.033 1.00 73.30 H new ATOM 0 HG3 ARG A 26 12.443 16.410 -24.007 1.00 73.30 H new ATOM 0 HD2 ARG A 26 10.459 17.829 -25.629 1.00 53.14 H new ATOM 0 HD3 ARG A 26 11.554 18.987 -24.900 1.00 53.14 H new ATOM 0 HE ARG A 26 13.194 16.780 -25.764 1.00 1.15 H new ATOM 0 HH11 ARG A 26 11.297 16.695 -28.080 1.00 65.32 H new ATOM 0 HH12 ARG A 26 11.992 17.881 -29.190 1.00 65.32 H new ATOM 0 HH21 ARG A 26 13.953 19.403 -26.730 1.00 4.23 H new ATOM 0 HH22 ARG A 26 13.483 19.400 -28.432 1.00 4.23 H new ATOM 419 N ARG A 27 7.431 17.024 -23.258 1.00 75.52 N ATOM 420 CA ARG A 27 6.251 17.895 -23.373 1.00 1.12 C ATOM 421 C ARG A 27 5.769 18.076 -21.949 1.00 51.35 C ATOM 422 O ARG A 27 5.414 19.157 -21.533 1.00 11.43 O ATOM 423 CB ARG A 27 5.231 17.141 -24.240 1.00 4.42 C ATOM 424 CG ARG A 27 4.755 15.868 -23.532 1.00 24.15 C ATOM 425 CD ARG A 27 3.668 15.196 -24.356 1.00 43.41 C ATOM 426 NE ARG A 27 2.446 16.019 -24.140 1.00 4.14 N ATOM 427 CZ ARG A 27 1.771 16.469 -25.162 1.00 32.31 C ATOM 428 NH1 ARG A 27 2.397 17.008 -26.173 1.00 12.43 N ATOM 429 NH2 ARG A 27 0.469 16.380 -25.175 1.00 53.45 N ATOM 0 H ARG A 27 7.338 16.093 -23.665 1.00 75.52 H new ATOM 0 HA ARG A 27 6.433 18.867 -23.831 1.00 1.12 H new ATOM 0 HB2 ARG A 27 4.378 17.786 -24.451 1.00 4.42 H new ATOM 0 HB3 ARG A 27 5.681 16.883 -25.199 1.00 4.42 H new ATOM 0 HG2 ARG A 27 5.592 15.184 -23.391 1.00 24.15 H new ATOM 0 HG3 ARG A 27 4.374 16.113 -22.541 1.00 24.15 H new ATOM 0 HD2 ARG A 27 3.938 15.163 -25.411 1.00 43.41 H new ATOM 0 HD3 ARG A 27 3.511 14.166 -24.035 1.00 43.41 H new ATOM 0 HE ARG A 27 2.136 16.231 -23.192 1.00 4.14 H new ATOM 0 HH11 ARG A 27 3.415 17.078 -26.164 1.00 12.43 H new ATOM 0 HH12 ARG A 27 1.868 17.359 -26.971 1.00 12.43 H new ATOM 0 HH21 ARG A 27 -0.021 15.959 -24.386 1.00 53.45 H new ATOM 0 HH22 ARG A 27 -0.058 16.732 -25.974 1.00 53.45 H new ATOM 443 N LEU A 28 5.829 17.001 -21.194 1.00 63.12 N ATOM 444 CA LEU A 28 5.441 17.035 -19.759 1.00 54.52 C ATOM 445 C LEU A 28 6.351 17.927 -18.994 1.00 5.24 C ATOM 446 O LEU A 28 6.003 18.998 -18.601 1.00 55.02 O ATOM 447 CB LEU A 28 5.649 15.644 -19.226 1.00 0.24 C ATOM 448 CG LEU A 28 4.306 14.985 -19.131 1.00 14.43 C ATOM 449 CD1 LEU A 28 3.479 15.704 -18.106 1.00 63.25 C ATOM 450 CD2 LEU A 28 3.584 15.075 -20.439 1.00 12.35 C ATOM 0 H LEU A 28 6.138 16.087 -21.526 1.00 63.12 H new ATOM 0 HA LEU A 28 4.414 17.388 -19.662 1.00 54.52 H new ATOM 0 HB2 LEU A 28 6.307 15.077 -19.884 1.00 0.24 H new ATOM 0 HB3 LEU A 28 6.128 15.677 -18.248 1.00 0.24 H new ATOM 0 HG LEU A 28 4.453 13.940 -18.860 1.00 14.43 H new ATOM 0 HD11 LEU A 28 2.500 15.230 -18.031 1.00 63.25 H new ATOM 0 HD12 LEU A 28 3.979 15.659 -17.138 1.00 63.25 H new ATOM 0 HD13 LEU A 28 3.356 16.746 -18.403 1.00 63.25 H new ATOM 0 HD21 LEU A 28 2.611 14.591 -20.352 1.00 12.35 H new ATOM 0 HD22 LEU A 28 3.446 16.122 -20.707 1.00 12.35 H new ATOM 0 HD23 LEU A 28 4.169 14.577 -21.212 1.00 12.35 H new ATOM 462 N ALA A 29 7.535 17.470 -18.781 1.00 4.20 N ATOM 463 CA ALA A 29 8.489 18.270 -18.018 1.00 23.33 C ATOM 464 C ALA A 29 8.448 19.696 -18.541 1.00 74.14 C ATOM 465 O ALA A 29 8.702 20.644 -17.836 1.00 35.04 O ATOM 466 CB ALA A 29 9.819 17.643 -18.323 1.00 14.21 C ATOM 0 H ALA A 29 7.882 16.568 -19.107 1.00 4.20 H new ATOM 0 HA ALA A 29 8.284 18.297 -16.948 1.00 23.33 H new ATOM 0 HB1 ALA A 29 10.605 18.179 -17.791 1.00 14.21 H new ATOM 0 HB2 ALA A 29 9.811 16.601 -18.004 1.00 14.21 H new ATOM 0 HB3 ALA A 29 10.008 17.693 -19.395 1.00 14.21 H new ATOM 472 N ARG A 30 8.090 19.847 -19.784 1.00 12.42 N ATOM 473 CA ARG A 30 7.988 21.204 -20.354 1.00 13.24 C ATOM 474 C ARG A 30 6.711 21.850 -19.826 1.00 61.00 C ATOM 475 O ARG A 30 6.680 23.013 -19.477 1.00 75.45 O ATOM 476 CB ARG A 30 7.893 20.983 -21.856 1.00 52.21 C ATOM 477 CG ARG A 30 7.475 22.278 -22.556 1.00 70.04 C ATOM 478 CD ARG A 30 8.717 23.103 -22.897 1.00 72.34 C ATOM 479 NE ARG A 30 8.197 24.302 -23.610 1.00 44.40 N ATOM 480 CZ ARG A 30 8.883 24.828 -24.587 1.00 75.04 C ATOM 481 NH1 ARG A 30 10.022 25.418 -24.343 1.00 75.24 N ATOM 482 NH2 ARG A 30 8.431 24.767 -25.809 1.00 72.21 N ATOM 0 H ARG A 30 7.865 19.086 -20.425 1.00 12.42 H new ATOM 0 HA ARG A 30 8.826 21.852 -20.097 1.00 13.24 H new ATOM 0 HB2 ARG A 30 8.855 20.646 -22.243 1.00 52.21 H new ATOM 0 HB3 ARG A 30 7.170 20.196 -22.070 1.00 52.21 H new ATOM 0 HG2 ARG A 30 6.918 22.048 -23.465 1.00 70.04 H new ATOM 0 HG3 ARG A 30 6.810 22.853 -21.911 1.00 70.04 H new ATOM 0 HD2 ARG A 30 9.263 23.385 -21.997 1.00 72.34 H new ATOM 0 HD3 ARG A 30 9.406 22.538 -23.525 1.00 72.34 H new ATOM 0 HE ARG A 30 7.305 24.712 -23.335 1.00 44.40 H new ATOM 0 HH11 ARG A 30 10.376 25.468 -23.388 1.00 75.24 H new ATOM 0 HH12 ARG A 30 10.558 25.829 -25.108 1.00 75.24 H new ATOM 0 HH21 ARG A 30 7.541 24.308 -26.001 1.00 72.21 H new ATOM 0 HH22 ARG A 30 8.968 25.178 -26.572 1.00 72.21 H new ATOM 496 N LYS A 31 5.660 21.078 -19.730 1.00 63.52 N ATOM 497 CA LYS A 31 4.389 21.609 -19.188 1.00 74.52 C ATOM 498 C LYS A 31 4.383 21.350 -17.687 1.00 30.32 C ATOM 499 O LYS A 31 3.472 21.723 -16.976 1.00 14.02 O ATOM 500 CB LYS A 31 3.298 20.779 -19.886 1.00 50.23 C ATOM 501 CG LYS A 31 3.474 19.292 -19.524 1.00 2.24 C ATOM 502 CD LYS A 31 2.139 18.564 -19.375 1.00 20.21 C ATOM 503 CE LYS A 31 1.563 18.250 -20.750 1.00 1.14 C ATOM 504 NZ LYS A 31 0.497 19.267 -20.968 1.00 44.10 N ATOM 0 H LYS A 31 5.634 20.097 -20.008 1.00 63.52 H new ATOM 0 HA LYS A 31 4.244 22.677 -19.353 1.00 74.52 H new ATOM 0 HB2 LYS A 31 2.311 21.125 -19.579 1.00 50.23 H new ATOM 0 HB3 LYS A 31 3.361 20.911 -20.966 1.00 50.23 H new ATOM 0 HG2 LYS A 31 4.068 18.801 -20.295 1.00 2.24 H new ATOM 0 HG3 LYS A 31 4.034 19.212 -18.592 1.00 2.24 H new ATOM 0 HD2 LYS A 31 2.279 17.642 -18.811 1.00 20.21 H new ATOM 0 HD3 LYS A 31 1.440 19.181 -18.810 1.00 20.21 H new ATOM 0 HE2 LYS A 31 2.330 18.312 -21.522 1.00 1.14 H new ATOM 0 HE3 LYS A 31 1.156 17.239 -20.785 1.00 1.14 H new ATOM 0 HZ1 LYS A 31 -0.013 19.052 -21.849 1.00 44.10 H new ATOM 0 HZ2 LYS A 31 -0.169 19.249 -20.169 1.00 44.10 H new ATOM 0 HZ3 LYS A 31 0.927 20.211 -21.038 1.00 44.10 H new ATOM 518 N TYR A 32 5.386 20.649 -17.216 1.00 32.10 N ATOM 519 CA TYR A 32 5.454 20.276 -15.788 1.00 1.13 C ATOM 520 C TYR A 32 6.635 20.930 -15.084 1.00 14.21 C ATOM 521 O TYR A 32 6.621 21.066 -13.877 1.00 61.40 O ATOM 522 CB TYR A 32 5.675 18.769 -15.807 1.00 50.44 C ATOM 523 CG TYR A 32 4.366 18.051 -15.886 1.00 45.44 C ATOM 524 CD1 TYR A 32 3.268 18.647 -16.499 1.00 62.23 C ATOM 525 CD2 TYR A 32 4.267 16.779 -15.347 1.00 2.41 C ATOM 526 CE1 TYR A 32 2.053 17.965 -16.577 1.00 53.04 C ATOM 527 CE2 TYR A 32 3.052 16.087 -15.414 1.00 23.33 C ATOM 528 CZ TYR A 32 1.941 16.680 -16.032 1.00 72.12 C ATOM 529 OH TYR A 32 0.741 16.000 -16.103 1.00 15.33 O ATOM 0 H TYR A 32 6.169 20.319 -17.780 1.00 32.10 H new ATOM 0 HA TYR A 32 4.556 20.592 -15.257 1.00 1.13 H new ATOM 0 HB2 TYR A 32 6.298 18.497 -16.659 1.00 50.44 H new ATOM 0 HB3 TYR A 32 6.212 18.462 -14.909 1.00 50.44 H new ATOM 0 HD1 TYR A 32 3.356 19.640 -16.915 1.00 62.23 H new ATOM 0 HD2 TYR A 32 5.125 16.322 -14.876 1.00 2.41 H new ATOM 0 HE1 TYR A 32 1.202 18.427 -17.056 1.00 53.04 H new ATOM 0 HE2 TYR A 32 2.970 15.097 -14.990 1.00 23.33 H new ATOM 0 HH TYR A 32 0.837 15.123 -15.677 1.00 15.33 H new ATOM 539 N HIS A 33 7.674 21.327 -15.787 1.00 43.22 N ATOM 540 CA HIS A 33 8.801 21.935 -15.041 1.00 73.43 C ATOM 541 C HIS A 33 8.206 23.021 -14.169 1.00 64.35 C ATOM 542 O HIS A 33 7.658 23.975 -14.660 1.00 34.34 O ATOM 543 CB HIS A 33 9.815 22.484 -16.038 1.00 51.54 C ATOM 544 CG HIS A 33 11.015 22.817 -15.218 1.00 34.23 C ATOM 545 ND1 HIS A 33 11.062 23.980 -14.490 1.00 51.15 N ATOM 546 CD2 HIS A 33 12.104 22.081 -14.834 1.00 41.42 C ATOM 547 CE1 HIS A 33 12.125 23.910 -13.679 1.00 30.10 C ATOM 548 NE2 HIS A 33 12.808 22.774 -13.855 1.00 12.14 N ATOM 0 H HIS A 33 7.781 21.257 -16.799 1.00 43.22 H new ATOM 0 HA HIS A 33 9.327 21.216 -14.414 1.00 73.43 H new ATOM 0 HB2 HIS A 33 10.053 21.748 -16.806 1.00 51.54 H new ATOM 0 HB3 HIS A 33 9.429 23.365 -16.550 1.00 51.54 H new ATOM 0 HD2 HIS A 33 12.374 21.113 -15.230 1.00 41.42 H new ATOM 0 HE1 HIS A 33 12.397 24.677 -12.969 1.00 30.10 H new ATOM 0 HE2 HIS A 33 13.659 22.480 -13.376 1.00 12.14 H new ATOM 556 N PRO A 34 8.252 22.786 -12.898 1.00 70.11 N ATOM 557 CA PRO A 34 7.587 23.689 -11.943 1.00 54.32 C ATOM 558 C PRO A 34 7.934 25.165 -12.149 1.00 40.44 C ATOM 559 O PRO A 34 7.160 26.039 -11.812 1.00 74.10 O ATOM 560 CB PRO A 34 7.967 23.121 -10.591 1.00 0.21 C ATOM 561 CG PRO A 34 9.190 22.309 -10.855 1.00 5.10 C ATOM 562 CD PRO A 34 8.965 21.707 -12.213 1.00 70.12 C ATOM 0 HA PRO A 34 6.505 23.716 -12.071 1.00 54.32 H new ATOM 0 HB2 PRO A 34 8.165 23.914 -9.869 1.00 0.21 H new ATOM 0 HB3 PRO A 34 7.165 22.508 -10.179 1.00 0.21 H new ATOM 0 HG2 PRO A 34 10.087 22.928 -10.840 1.00 5.10 H new ATOM 0 HG3 PRO A 34 9.323 21.537 -10.097 1.00 5.10 H new ATOM 0 HD2 PRO A 34 9.902 21.455 -12.710 1.00 70.12 H new ATOM 0 HD3 PRO A 34 8.374 20.792 -12.163 1.00 70.12 H new ATOM 570 N ASP A 35 9.034 25.456 -12.764 1.00 35.23 N ATOM 571 CA ASP A 35 9.346 26.885 -13.059 1.00 43.13 C ATOM 572 C ASP A 35 8.332 27.355 -14.085 1.00 13.21 C ATOM 573 O ASP A 35 8.085 28.530 -14.271 1.00 53.02 O ATOM 574 CB ASP A 35 10.712 26.876 -13.731 1.00 23.25 C ATOM 575 CG ASP A 35 11.464 28.166 -13.400 1.00 64.23 C ATOM 576 OD1 ASP A 35 11.910 28.297 -12.272 1.00 34.14 O ATOM 577 OD2 ASP A 35 11.582 29.002 -14.281 1.00 1.41 O ATOM 0 H ASP A 35 9.730 24.779 -13.076 1.00 35.23 H new ATOM 0 HA ASP A 35 9.327 27.516 -12.171 1.00 43.13 H new ATOM 0 HB2 ASP A 35 11.287 26.013 -13.394 1.00 23.25 H new ATOM 0 HB3 ASP A 35 10.595 26.780 -14.810 1.00 23.25 H new ATOM 582 N VAL A 36 7.770 26.405 -14.769 1.00 70.15 N ATOM 583 CA VAL A 36 6.786 26.677 -15.824 1.00 71.50 C ATOM 584 C VAL A 36 6.009 25.384 -15.984 1.00 4.23 C ATOM 585 O VAL A 36 6.477 24.411 -16.542 1.00 24.45 O ATOM 586 CB VAL A 36 7.662 26.963 -17.069 1.00 53.35 C ATOM 587 CG1 VAL A 36 9.143 26.755 -16.721 1.00 1.43 C ATOM 588 CG2 VAL A 36 7.325 25.992 -18.197 1.00 10.31 C ATOM 0 H VAL A 36 7.966 25.414 -14.627 1.00 70.15 H new ATOM 0 HA VAL A 36 6.091 27.496 -15.641 1.00 71.50 H new ATOM 0 HB VAL A 36 7.471 27.990 -17.382 1.00 53.35 H new ATOM 0 HG11 VAL A 36 9.755 26.957 -17.600 1.00 1.43 H new ATOM 0 HG12 VAL A 36 9.427 27.434 -15.917 1.00 1.43 H new ATOM 0 HG13 VAL A 36 9.300 25.726 -16.399 1.00 1.43 H new ATOM 0 HG21 VAL A 36 7.951 26.209 -19.063 1.00 10.31 H new ATOM 0 HG22 VAL A 36 7.507 24.970 -17.864 1.00 10.31 H new ATOM 0 HG23 VAL A 36 6.276 26.102 -18.471 1.00 10.31 H new ATOM 598 N SER A 37 4.863 25.332 -15.464 1.00 64.51 N ATOM 599 CA SER A 37 4.123 24.074 -15.567 1.00 51.22 C ATOM 600 C SER A 37 2.627 24.268 -15.401 1.00 24.33 C ATOM 601 O SER A 37 2.188 25.043 -14.575 1.00 33.50 O ATOM 602 CB SER A 37 4.732 23.266 -14.458 1.00 43.15 C ATOM 603 OG SER A 37 3.968 23.439 -13.273 1.00 43.40 O ATOM 0 H SER A 37 4.394 26.092 -14.971 1.00 64.51 H new ATOM 0 HA SER A 37 4.202 23.596 -16.544 1.00 51.22 H new ATOM 0 HB2 SER A 37 4.761 22.212 -14.735 1.00 43.15 H new ATOM 0 HB3 SER A 37 5.762 23.579 -14.289 1.00 43.15 H new ATOM 0 HG SER A 37 4.412 24.089 -12.689 1.00 43.40 H new ATOM 609 N LYS A 38 1.828 23.540 -16.118 1.00 2.14 N ATOM 610 CA LYS A 38 0.375 23.691 -15.893 1.00 13.22 C ATOM 611 C LYS A 38 -0.235 22.343 -15.519 1.00 61.23 C ATOM 612 O LYS A 38 -0.990 21.742 -16.255 1.00 54.42 O ATOM 613 CB LYS A 38 -0.236 24.273 -17.179 1.00 34.22 C ATOM 614 CG LYS A 38 0.384 23.636 -18.433 1.00 73.14 C ATOM 615 CD LYS A 38 0.395 24.662 -19.570 1.00 31.43 C ATOM 616 CE LYS A 38 -1.026 25.175 -19.816 1.00 73.25 C ATOM 617 NZ LYS A 38 -0.853 26.410 -20.631 1.00 42.22 N ATOM 0 H LYS A 38 2.108 22.866 -16.830 1.00 2.14 H new ATOM 0 HA LYS A 38 0.167 24.368 -15.064 1.00 13.22 H new ATOM 0 HB2 LYS A 38 -1.313 24.107 -17.179 1.00 34.22 H new ATOM 0 HB3 LYS A 38 -0.080 25.352 -17.202 1.00 34.22 H new ATOM 0 HG2 LYS A 38 1.399 23.301 -18.220 1.00 73.14 H new ATOM 0 HG3 LYS A 38 -0.187 22.756 -18.728 1.00 73.14 H new ATOM 0 HD2 LYS A 38 1.053 25.493 -19.316 1.00 31.43 H new ATOM 0 HD3 LYS A 38 0.790 24.208 -20.479 1.00 31.43 H new ATOM 0 HE2 LYS A 38 -1.627 24.435 -20.344 1.00 73.25 H new ATOM 0 HE3 LYS A 38 -1.536 25.390 -18.877 1.00 73.25 H new ATOM 0 HZ1 LYS A 38 -1.785 26.821 -20.841 1.00 42.22 H new ATOM 0 HZ2 LYS A 38 -0.282 27.099 -20.101 1.00 42.22 H new ATOM 0 HZ3 LYS A 38 -0.371 26.174 -21.521 1.00 42.22 H new ATOM 631 N GLU A 39 0.104 21.895 -14.346 1.00 20.53 N ATOM 632 CA GLU A 39 -0.398 20.617 -13.810 1.00 71.43 C ATOM 633 C GLU A 39 -0.828 20.875 -12.359 1.00 45.42 C ATOM 634 O GLU A 39 -0.323 21.784 -11.731 1.00 32.14 O ATOM 635 CB GLU A 39 0.833 19.716 -13.883 1.00 35.42 C ATOM 636 CG GLU A 39 0.438 18.254 -13.897 1.00 71.14 C ATOM 637 CD GLU A 39 -0.524 17.986 -15.056 1.00 44.34 C ATOM 638 OE1 GLU A 39 -0.566 18.800 -15.964 1.00 64.41 O ATOM 639 OE2 GLU A 39 -1.201 16.973 -15.015 1.00 13.52 O ATOM 0 H GLU A 39 0.736 22.389 -13.716 1.00 20.53 H new ATOM 0 HA GLU A 39 -1.248 20.180 -14.334 1.00 71.43 H new ATOM 0 HB2 GLU A 39 1.406 19.950 -14.780 1.00 35.42 H new ATOM 0 HB3 GLU A 39 1.482 19.912 -13.030 1.00 35.42 H new ATOM 0 HG2 GLU A 39 1.326 17.629 -13.998 1.00 71.14 H new ATOM 0 HG3 GLU A 39 -0.034 17.987 -12.952 1.00 71.14 H new ATOM 646 N PRO A 40 -1.733 20.087 -11.859 1.00 11.12 N ATOM 647 CA PRO A 40 -2.196 20.274 -10.459 1.00 30.44 C ATOM 648 C PRO A 40 -1.012 20.162 -9.499 1.00 72.41 C ATOM 649 O PRO A 40 -1.054 20.623 -8.376 1.00 3.31 O ATOM 650 CB PRO A 40 -3.207 19.145 -10.272 1.00 44.24 C ATOM 651 CG PRO A 40 -2.836 18.142 -11.314 1.00 42.33 C ATOM 652 CD PRO A 40 -2.397 18.955 -12.500 1.00 45.20 C ATOM 0 HA PRO A 40 -2.637 21.251 -10.260 1.00 30.44 H new ATOM 0 HB2 PRO A 40 -3.147 18.719 -9.270 1.00 44.24 H new ATOM 0 HB3 PRO A 40 -4.229 19.500 -10.407 1.00 44.24 H new ATOM 0 HG2 PRO A 40 -2.036 17.489 -10.966 1.00 42.33 H new ATOM 0 HG3 PRO A 40 -3.682 17.503 -11.565 1.00 42.33 H new ATOM 0 HD2 PRO A 40 -1.721 18.399 -13.149 1.00 45.20 H new ATOM 0 HD3 PRO A 40 -3.241 19.270 -13.114 1.00 45.20 H new ATOM 660 N ASP A 41 0.050 19.569 -9.953 1.00 63.32 N ATOM 661 CA ASP A 41 1.266 19.430 -9.100 1.00 1.31 C ATOM 662 C ASP A 41 2.497 19.227 -9.988 1.00 61.13 C ATOM 663 O ASP A 41 3.378 18.463 -9.673 1.00 10.02 O ATOM 664 CB ASP A 41 1.016 18.190 -8.246 1.00 53.42 C ATOM 665 CG ASP A 41 0.774 16.986 -9.158 1.00 71.33 C ATOM 666 OD1 ASP A 41 -0.313 16.890 -9.704 1.00 3.21 O ATOM 667 OD2 ASP A 41 1.680 16.180 -9.295 1.00 42.51 O ATOM 0 H ASP A 41 0.133 19.169 -10.888 1.00 63.32 H new ATOM 0 HA ASP A 41 1.447 20.313 -8.487 1.00 1.31 H new ATOM 0 HB2 ASP A 41 1.872 18.003 -7.597 1.00 53.42 H new ATOM 0 HB3 ASP A 41 0.154 18.349 -7.598 1.00 53.42 H new ATOM 672 N ALA A 42 2.549 19.905 -11.101 1.00 35.11 N ATOM 673 CA ALA A 42 3.706 19.749 -12.036 1.00 24.14 C ATOM 674 C ALA A 42 5.017 19.706 -11.259 1.00 22.22 C ATOM 675 O ALA A 42 5.913 18.981 -11.606 1.00 72.53 O ATOM 676 CB ALA A 42 3.665 20.960 -12.963 1.00 5.02 C ATOM 0 H ALA A 42 1.836 20.566 -11.408 1.00 35.11 H new ATOM 0 HA ALA A 42 3.642 18.818 -12.600 1.00 24.14 H new ATOM 0 HB1 ALA A 42 4.490 20.903 -13.673 1.00 5.02 H new ATOM 0 HB2 ALA A 42 2.720 20.971 -13.506 1.00 5.02 H new ATOM 0 HB3 ALA A 42 3.756 21.872 -12.374 1.00 5.02 H new ATOM 682 N GLU A 43 5.144 20.425 -10.183 1.00 55.14 N ATOM 683 CA GLU A 43 6.415 20.309 -9.421 1.00 63.20 C ATOM 684 C GLU A 43 6.575 18.827 -9.115 1.00 52.02 C ATOM 685 O GLU A 43 7.582 18.201 -9.402 1.00 11.54 O ATOM 686 CB GLU A 43 6.204 21.134 -8.144 1.00 0.21 C ATOM 687 CG GLU A 43 7.042 20.555 -6.998 1.00 53.11 C ATOM 688 CD GLU A 43 8.529 20.708 -7.322 1.00 32.15 C ATOM 689 OE1 GLU A 43 8.921 20.318 -8.410 1.00 12.53 O ATOM 690 OE2 GLU A 43 9.250 21.211 -6.477 1.00 3.33 O ATOM 0 H GLU A 43 4.448 21.069 -9.806 1.00 55.14 H new ATOM 0 HA GLU A 43 7.303 20.668 -9.942 1.00 63.20 H new ATOM 0 HB2 GLU A 43 6.485 22.172 -8.322 1.00 0.21 H new ATOM 0 HB3 GLU A 43 5.149 21.132 -7.870 1.00 0.21 H new ATOM 0 HG2 GLU A 43 6.808 21.070 -6.066 1.00 53.11 H new ATOM 0 HG3 GLU A 43 6.798 19.503 -6.851 1.00 53.11 H new ATOM 697 N ALA A 44 5.533 18.264 -8.587 1.00 15.23 N ATOM 698 CA ALA A 44 5.513 16.819 -8.286 1.00 41.22 C ATOM 699 C ALA A 44 5.360 16.045 -9.576 1.00 73.31 C ATOM 700 O ALA A 44 6.142 15.179 -9.902 1.00 62.13 O ATOM 701 CB ALA A 44 4.244 16.645 -7.489 1.00 40.34 C ATOM 0 H ALA A 44 4.675 18.760 -8.347 1.00 15.23 H new ATOM 0 HA ALA A 44 6.413 16.478 -7.774 1.00 41.22 H new ATOM 0 HB1 ALA A 44 4.130 15.597 -7.211 1.00 40.34 H new ATOM 0 HB2 ALA A 44 4.294 17.256 -6.588 1.00 40.34 H new ATOM 0 HB3 ALA A 44 3.390 16.956 -8.092 1.00 40.34 H new ATOM 707 N ARG A 45 4.335 16.365 -10.309 1.00 14.14 N ATOM 708 CA ARG A 45 4.097 15.671 -11.581 1.00 44.40 C ATOM 709 C ARG A 45 5.389 15.697 -12.390 1.00 41.13 C ATOM 710 O ARG A 45 5.921 14.670 -12.749 1.00 50.02 O ATOM 711 CB ARG A 45 2.990 16.470 -12.275 1.00 24.13 C ATOM 712 CG ARG A 45 1.677 15.675 -12.290 1.00 41.30 C ATOM 713 CD ARG A 45 1.938 14.213 -12.668 1.00 52.12 C ATOM 714 NE ARG A 45 0.620 13.701 -13.138 1.00 34.15 N ATOM 715 CZ ARG A 45 0.345 12.428 -13.051 1.00 61.43 C ATOM 716 NH1 ARG A 45 0.620 11.773 -11.957 1.00 61.35 N ATOM 717 NH2 ARG A 45 -0.210 11.812 -14.059 1.00 52.14 N ATOM 0 H ARG A 45 3.652 17.084 -10.072 1.00 14.14 H new ATOM 0 HA ARG A 45 3.802 14.629 -11.460 1.00 44.40 H new ATOM 0 HB2 ARG A 45 2.841 17.419 -11.759 1.00 24.13 H new ATOM 0 HB3 ARG A 45 3.290 16.706 -13.296 1.00 24.13 H new ATOM 0 HG2 ARG A 45 1.204 15.724 -11.309 1.00 41.30 H new ATOM 0 HG3 ARG A 45 0.983 16.122 -13.001 1.00 41.30 H new ATOM 0 HD2 ARG A 45 2.694 14.135 -13.449 1.00 52.12 H new ATOM 0 HD3 ARG A 45 2.302 13.642 -11.814 1.00 52.12 H new ATOM 0 HE ARG A 45 -0.068 14.346 -13.528 1.00 34.15 H new ATOM 0 HH11 ARG A 45 1.050 12.256 -11.168 1.00 61.35 H new ATOM 0 HH12 ARG A 45 0.405 10.778 -11.890 1.00 61.35 H new ATOM 0 HH21 ARG A 45 -0.428 12.325 -14.913 1.00 52.14 H new ATOM 0 HH22 ARG A 45 -0.426 10.817 -13.993 1.00 52.14 H new ATOM 731 N PHE A 46 5.925 16.866 -12.644 1.00 32.30 N ATOM 732 CA PHE A 46 7.203 16.931 -13.402 1.00 13.21 C ATOM 733 C PHE A 46 8.167 15.981 -12.757 1.00 3.15 C ATOM 734 O PHE A 46 8.670 15.071 -13.378 1.00 41.42 O ATOM 735 CB PHE A 46 7.763 18.338 -13.225 1.00 43.31 C ATOM 736 CG PHE A 46 9.142 18.394 -13.843 1.00 15.33 C ATOM 737 CD1 PHE A 46 10.237 17.862 -13.154 1.00 71.44 C ATOM 738 CD2 PHE A 46 9.330 18.998 -15.086 1.00 11.25 C ATOM 739 CE1 PHE A 46 11.518 17.933 -13.710 1.00 14.30 C ATOM 740 CE2 PHE A 46 10.611 19.078 -15.640 1.00 51.34 C ATOM 741 CZ PHE A 46 11.706 18.545 -14.953 1.00 44.05 C ATOM 0 H PHE A 46 5.535 17.765 -12.361 1.00 32.30 H new ATOM 0 HA PHE A 46 7.053 16.687 -14.454 1.00 13.21 H new ATOM 0 HB2 PHE A 46 7.107 19.068 -13.699 1.00 43.31 H new ATOM 0 HB3 PHE A 46 7.813 18.594 -12.167 1.00 43.31 H new ATOM 0 HD1 PHE A 46 10.093 17.395 -12.191 1.00 71.44 H new ATOM 0 HD2 PHE A 46 8.485 19.405 -15.621 1.00 11.25 H new ATOM 0 HE1 PHE A 46 12.361 17.516 -13.180 1.00 14.30 H new ATOM 0 HE2 PHE A 46 10.755 19.552 -16.600 1.00 51.34 H new ATOM 0 HZ PHE A 46 12.695 18.606 -15.382 1.00 44.05 H new ATOM 751 N LYS A 47 8.428 16.166 -11.495 1.00 55.45 N ATOM 752 CA LYS A 47 9.353 15.233 -10.847 1.00 10.13 C ATOM 753 C LYS A 47 8.833 13.831 -11.106 1.00 25.24 C ATOM 754 O LYS A 47 9.594 12.913 -11.319 1.00 24.24 O ATOM 755 CB LYS A 47 9.351 15.578 -9.369 1.00 13.22 C ATOM 756 CG LYS A 47 10.153 16.862 -9.172 1.00 61.45 C ATOM 757 CD LYS A 47 11.294 16.605 -8.185 1.00 32.22 C ATOM 758 CE LYS A 47 11.118 17.500 -6.957 1.00 15.03 C ATOM 759 NZ LYS A 47 11.436 16.625 -5.796 1.00 72.34 N ATOM 0 H LYS A 47 8.047 16.906 -10.906 1.00 55.45 H new ATOM 0 HA LYS A 47 10.374 15.295 -11.225 1.00 10.13 H new ATOM 0 HB2 LYS A 47 8.330 15.710 -9.012 1.00 13.22 H new ATOM 0 HB3 LYS A 47 9.788 14.765 -8.789 1.00 13.22 H new ATOM 0 HG2 LYS A 47 10.554 17.203 -10.127 1.00 61.45 H new ATOM 0 HG3 LYS A 47 9.505 17.654 -8.797 1.00 61.45 H new ATOM 0 HD2 LYS A 47 11.301 15.557 -7.886 1.00 32.22 H new ATOM 0 HD3 LYS A 47 12.253 16.807 -8.661 1.00 32.22 H new ATOM 0 HE2 LYS A 47 11.785 18.361 -6.997 1.00 15.03 H new ATOM 0 HE3 LYS A 47 10.101 17.887 -6.893 1.00 15.03 H new ATOM 0 HZ1 LYS A 47 11.338 17.168 -4.915 1.00 72.34 H new ATOM 0 HZ2 LYS A 47 10.781 15.818 -5.780 1.00 72.34 H new ATOM 0 HZ3 LYS A 47 12.412 16.277 -5.881 1.00 72.34 H new ATOM 773 N GLU A 48 7.528 13.672 -11.155 1.00 71.11 N ATOM 774 CA GLU A 48 6.976 12.354 -11.474 1.00 14.42 C ATOM 775 C GLU A 48 7.398 12.038 -12.882 1.00 41.42 C ATOM 776 O GLU A 48 7.727 10.918 -13.215 1.00 1.24 O ATOM 777 CB GLU A 48 5.467 12.507 -11.393 1.00 40.12 C ATOM 778 CG GLU A 48 4.969 11.594 -10.309 1.00 12.14 C ATOM 779 CD GLU A 48 3.586 12.045 -9.837 1.00 42.23 C ATOM 780 OE1 GLU A 48 2.614 11.686 -10.482 1.00 60.54 O ATOM 781 OE2 GLU A 48 3.523 12.743 -8.839 1.00 62.30 O ATOM 0 H GLU A 48 6.841 14.406 -10.986 1.00 71.11 H new ATOM 0 HA GLU A 48 7.313 11.561 -10.807 1.00 14.42 H new ATOM 0 HB2 GLU A 48 5.199 13.541 -11.174 1.00 40.12 H new ATOM 0 HB3 GLU A 48 5.006 12.253 -12.348 1.00 40.12 H new ATOM 0 HG2 GLU A 48 4.919 10.570 -10.679 1.00 12.14 H new ATOM 0 HG3 GLU A 48 5.667 11.597 -9.471 1.00 12.14 H new ATOM 788 N VAL A 49 7.412 13.026 -13.718 1.00 3.11 N ATOM 789 CA VAL A 49 7.849 12.772 -15.094 1.00 21.54 C ATOM 790 C VAL A 49 9.297 12.535 -15.078 1.00 4.21 C ATOM 791 O VAL A 49 9.766 11.518 -15.432 1.00 32.15 O ATOM 792 CB VAL A 49 7.636 14.032 -15.860 1.00 53.22 C ATOM 793 CG1 VAL A 49 7.992 13.750 -17.284 1.00 45.24 C ATOM 794 CG2 VAL A 49 6.203 14.420 -15.758 1.00 50.03 C ATOM 0 H VAL A 49 7.142 13.987 -13.506 1.00 3.11 H new ATOM 0 HA VAL A 49 7.311 11.927 -15.523 1.00 21.54 H new ATOM 0 HB VAL A 49 8.248 14.846 -15.471 1.00 53.22 H new ATOM 0 HG11 VAL A 49 7.849 14.651 -17.880 1.00 45.24 H new ATOM 0 HG12 VAL A 49 9.035 13.437 -17.343 1.00 45.24 H new ATOM 0 HG13 VAL A 49 7.352 12.955 -17.668 1.00 45.24 H new ATOM 0 HG21 VAL A 49 6.035 15.342 -16.315 1.00 50.03 H new ATOM 0 HG22 VAL A 49 5.581 13.627 -16.173 1.00 50.03 H new ATOM 0 HG23 VAL A 49 5.942 14.576 -14.711 1.00 50.03 H new ATOM 804 N ALA A 50 10.004 13.487 -14.634 1.00 52.32 N ATOM 805 CA ALA A 50 11.446 13.343 -14.569 1.00 34.41 C ATOM 806 C ALA A 50 11.774 11.990 -13.946 1.00 34.41 C ATOM 807 O ALA A 50 12.477 11.206 -14.538 1.00 62.54 O ATOM 808 CB ALA A 50 11.802 14.497 -13.696 1.00 62.04 C ATOM 0 H ALA A 50 9.640 14.381 -14.305 1.00 52.32 H new ATOM 0 HA ALA A 50 11.985 13.356 -15.516 1.00 34.41 H new ATOM 0 HB1 ALA A 50 12.882 14.524 -13.550 1.00 62.04 H new ATOM 0 HB2 ALA A 50 11.476 15.424 -14.168 1.00 62.04 H new ATOM 0 HB3 ALA A 50 11.308 14.389 -12.730 1.00 62.04 H new ATOM 814 N GLU A 51 11.208 11.670 -12.805 1.00 65.42 N ATOM 815 CA GLU A 51 11.457 10.316 -12.234 1.00 15.10 C ATOM 816 C GLU A 51 10.886 9.297 -13.193 1.00 54.54 C ATOM 817 O GLU A 51 11.541 8.332 -13.533 1.00 34.31 O ATOM 818 CB GLU A 51 10.749 10.262 -10.893 1.00 74.43 C ATOM 819 CG GLU A 51 9.250 10.154 -11.073 1.00 55.22 C ATOM 820 CD GLU A 51 8.590 10.049 -9.694 1.00 74.00 C ATOM 821 OE1 GLU A 51 8.462 11.074 -9.043 1.00 65.35 O ATOM 822 OE2 GLU A 51 8.227 8.949 -9.312 1.00 21.30 O ATOM 0 H GLU A 51 10.598 12.277 -12.257 1.00 65.42 H new ATOM 0 HA GLU A 51 12.518 10.108 -12.094 1.00 15.10 H new ATOM 0 HB2 GLU A 51 11.112 9.409 -10.320 1.00 74.43 H new ATOM 0 HB3 GLU A 51 10.986 11.156 -10.317 1.00 74.43 H new ATOM 0 HG2 GLU A 51 8.871 11.025 -11.607 1.00 55.22 H new ATOM 0 HG3 GLU A 51 9.005 9.279 -11.676 1.00 55.22 H new ATOM 829 N ALA A 52 9.699 9.528 -13.701 1.00 62.45 N ATOM 830 CA ALA A 52 9.174 8.578 -14.705 1.00 41.22 C ATOM 831 C ALA A 52 10.187 8.587 -15.803 1.00 61.53 C ATOM 832 O ALA A 52 10.792 7.646 -16.230 1.00 41.43 O ATOM 833 CB ALA A 52 7.914 9.218 -15.259 1.00 22.32 C ATOM 0 H ALA A 52 9.092 10.314 -13.466 1.00 62.45 H new ATOM 0 HA ALA A 52 8.984 7.579 -14.312 1.00 41.22 H new ATOM 0 HB1 ALA A 52 7.474 8.563 -16.011 1.00 22.32 H new ATOM 0 HB2 ALA A 52 7.200 9.374 -14.451 1.00 22.32 H new ATOM 0 HB3 ALA A 52 8.163 10.177 -15.714 1.00 22.32 H new ATOM 839 N TRP A 53 10.373 9.694 -16.242 1.00 73.24 N ATOM 840 CA TRP A 53 11.321 9.912 -17.276 1.00 52.11 C ATOM 841 C TRP A 53 12.644 9.238 -16.908 1.00 62.41 C ATOM 842 O TRP A 53 13.327 8.735 -17.767 1.00 22.34 O ATOM 843 CB TRP A 53 11.393 11.401 -17.315 1.00 31.03 C ATOM 844 CG TRP A 53 12.451 11.725 -18.231 1.00 75.34 C ATOM 845 CD1 TRP A 53 13.489 12.504 -17.981 1.00 55.52 C ATOM 846 CD2 TRP A 53 12.584 11.227 -19.536 1.00 63.13 C ATOM 847 NE1 TRP A 53 14.309 12.500 -19.092 1.00 11.14 N ATOM 848 CE2 TRP A 53 13.765 11.712 -20.090 1.00 4.42 C ATOM 849 CE3 TRP A 53 11.776 10.393 -20.278 1.00 31.52 C ATOM 850 CZ2 TRP A 53 14.136 11.358 -21.364 1.00 72.32 C ATOM 851 CZ3 TRP A 53 12.116 10.040 -21.539 1.00 40.14 C ATOM 852 CH2 TRP A 53 13.309 10.514 -22.106 1.00 61.23 C ATOM 0 H TRP A 53 9.886 10.531 -15.922 1.00 73.24 H new ATOM 0 HA TRP A 53 11.067 9.494 -18.250 1.00 52.11 H new ATOM 0 HB2 TRP A 53 10.446 11.828 -17.646 1.00 31.03 H new ATOM 0 HB3 TRP A 53 11.597 11.807 -16.324 1.00 31.03 H new ATOM 0 HD1 TRP A 53 13.665 13.050 -17.066 1.00 55.52 H new ATOM 0 HE1 TRP A 53 15.191 13.007 -19.166 1.00 11.14 H new ATOM 0 HE3 TRP A 53 10.860 10.016 -19.847 1.00 31.52 H new ATOM 0 HZ2 TRP A 53 15.058 11.729 -21.787 1.00 72.32 H new ATOM 0 HZ3 TRP A 53 11.468 9.392 -22.110 1.00 40.14 H new ATOM 0 HH2 TRP A 53 13.585 10.227 -23.110 1.00 61.23 H new ATOM 863 N GLU A 54 12.993 9.126 -15.644 1.00 44.51 N ATOM 864 CA GLU A 54 14.239 8.366 -15.366 1.00 44.23 C ATOM 865 C GLU A 54 13.933 6.972 -15.830 1.00 10.23 C ATOM 866 O GLU A 54 14.389 6.516 -16.844 1.00 61.34 O ATOM 867 CB GLU A 54 14.419 8.298 -13.844 1.00 33.44 C ATOM 868 CG GLU A 54 14.561 9.678 -13.246 1.00 21.24 C ATOM 869 CD GLU A 54 15.751 10.405 -13.878 1.00 70.55 C ATOM 870 OE1 GLU A 54 16.869 9.964 -13.669 1.00 23.14 O ATOM 871 OE2 GLU A 54 15.523 11.390 -14.560 1.00 15.30 O ATOM 0 H GLU A 54 12.496 9.507 -14.839 1.00 44.51 H new ATOM 0 HA GLU A 54 15.118 8.805 -15.837 1.00 44.23 H new ATOM 0 HB2 GLU A 54 13.564 7.792 -13.397 1.00 33.44 H new ATOM 0 HB3 GLU A 54 15.301 7.704 -13.606 1.00 33.44 H new ATOM 0 HG2 GLU A 54 13.647 10.249 -13.409 1.00 21.24 H new ATOM 0 HG3 GLU A 54 14.702 9.603 -12.168 1.00 21.24 H new ATOM 878 N VAL A 55 13.044 6.353 -15.121 1.00 22.24 N ATOM 879 CA VAL A 55 12.566 5.009 -15.487 1.00 34.24 C ATOM 880 C VAL A 55 12.354 4.906 -16.934 1.00 32.31 C ATOM 881 O VAL A 55 12.951 4.119 -17.605 1.00 54.21 O ATOM 882 CB VAL A 55 11.224 4.840 -14.778 1.00 33.34 C ATOM 883 CG1 VAL A 55 11.412 4.234 -13.417 1.00 32.43 C ATOM 884 CG2 VAL A 55 10.557 6.139 -14.580 1.00 3.13 C ATOM 0 H VAL A 55 12.618 6.738 -14.278 1.00 22.24 H new ATOM 0 HA VAL A 55 13.293 4.248 -15.202 1.00 34.24 H new ATOM 0 HB VAL A 55 10.618 4.193 -15.412 1.00 33.34 H new ATOM 0 HG11 VAL A 55 10.443 4.123 -12.931 1.00 32.43 H new ATOM 0 HG12 VAL A 55 11.882 3.256 -13.516 1.00 32.43 H new ATOM 0 HG13 VAL A 55 12.048 4.883 -12.815 1.00 32.43 H new ATOM 0 HG21 VAL A 55 9.604 5.985 -14.073 1.00 3.13 H new ATOM 0 HG22 VAL A 55 11.191 6.785 -13.973 1.00 3.13 H new ATOM 0 HG23 VAL A 55 10.381 6.609 -15.548 1.00 3.13 H new ATOM 894 N LEU A 56 11.522 5.700 -17.413 1.00 44.15 N ATOM 895 CA LEU A 56 11.222 5.646 -18.827 1.00 52.31 C ATOM 896 C LEU A 56 12.478 5.903 -19.644 1.00 33.42 C ATOM 897 O LEU A 56 12.717 5.277 -20.657 1.00 64.32 O ATOM 898 CB LEU A 56 10.163 6.701 -18.998 1.00 34.13 C ATOM 899 CG LEU A 56 9.136 6.601 -17.888 1.00 64.51 C ATOM 900 CD1 LEU A 56 7.880 7.232 -18.337 1.00 15.30 C ATOM 901 CD2 LEU A 56 8.890 5.165 -17.529 1.00 33.32 C ATOM 0 H LEU A 56 11.015 6.409 -16.883 1.00 44.15 H new ATOM 0 HA LEU A 56 10.869 4.675 -19.176 1.00 52.31 H new ATOM 0 HB2 LEU A 56 10.621 7.690 -18.991 1.00 34.13 H new ATOM 0 HB3 LEU A 56 9.675 6.583 -19.966 1.00 34.13 H new ATOM 0 HG LEU A 56 9.511 7.115 -17.003 1.00 64.51 H new ATOM 0 HD11 LEU A 56 7.135 7.164 -17.544 1.00 15.30 H new ATOM 0 HD12 LEU A 56 8.064 8.280 -18.574 1.00 15.30 H new ATOM 0 HD13 LEU A 56 7.512 6.718 -19.225 1.00 15.30 H new ATOM 0 HD21 LEU A 56 8.150 5.111 -16.730 1.00 33.32 H new ATOM 0 HD22 LEU A 56 8.520 4.630 -18.403 1.00 33.32 H new ATOM 0 HD23 LEU A 56 9.821 4.710 -17.192 1.00 33.32 H new ATOM 913 N SER A 57 13.298 6.792 -19.186 1.00 75.30 N ATOM 914 CA SER A 57 14.578 7.065 -19.918 1.00 32.52 C ATOM 915 C SER A 57 15.705 6.218 -19.319 1.00 35.40 C ATOM 916 O SER A 57 16.869 6.416 -19.609 1.00 11.34 O ATOM 917 CB SER A 57 14.866 8.554 -19.739 1.00 1.11 C ATOM 918 OG SER A 57 15.542 8.756 -18.505 1.00 2.21 O ATOM 0 H SER A 57 13.150 7.345 -18.342 1.00 75.30 H new ATOM 0 HA SER A 57 14.503 6.810 -20.975 1.00 32.52 H new ATOM 0 HB2 SER A 57 15.476 8.920 -20.565 1.00 1.11 H new ATOM 0 HB3 SER A 57 13.935 9.121 -19.754 1.00 1.11 H new ATOM 0 HG SER A 57 14.927 9.160 -17.857 1.00 2.21 H new ATOM 924 N ASP A 58 15.361 5.268 -18.492 1.00 22.44 N ATOM 925 CA ASP A 58 16.392 4.390 -17.873 1.00 61.21 C ATOM 926 C ASP A 58 16.081 2.939 -18.201 1.00 13.30 C ATOM 927 O ASP A 58 15.116 2.389 -17.708 1.00 14.53 O ATOM 928 CB ASP A 58 16.273 4.577 -16.354 1.00 0.24 C ATOM 929 CG ASP A 58 17.668 4.741 -15.748 1.00 13.41 C ATOM 930 OD1 ASP A 58 18.353 3.741 -15.609 1.00 14.35 O ATOM 931 OD2 ASP A 58 18.029 5.864 -15.435 1.00 35.53 O ATOM 0 H ASP A 58 14.401 5.062 -18.217 1.00 22.44 H new ATOM 0 HA ASP A 58 17.388 4.639 -18.239 1.00 61.21 H new ATOM 0 HB2 ASP A 58 15.663 5.453 -16.132 1.00 0.24 H new ATOM 0 HB3 ASP A 58 15.771 3.718 -15.910 1.00 0.24 H new ATOM 936 N GLU A 59 16.879 2.297 -19.001 1.00 24.44 N ATOM 937 CA GLU A 59 16.588 0.873 -19.297 1.00 2.52 C ATOM 938 C GLU A 59 16.314 0.158 -17.974 1.00 62.31 C ATOM 939 O GLU A 59 15.474 -0.718 -17.886 1.00 71.12 O ATOM 940 CB GLU A 59 17.853 0.328 -19.964 1.00 3.12 C ATOM 941 CG GLU A 59 17.497 -0.254 -21.334 1.00 44.01 C ATOM 942 CD GLU A 59 16.553 -1.444 -21.151 1.00 22.42 C ATOM 943 OE1 GLU A 59 16.359 -1.851 -20.018 1.00 35.53 O ATOM 944 OE2 GLU A 59 16.039 -1.927 -22.147 1.00 73.41 O ATOM 0 H GLU A 59 17.705 2.687 -19.455 1.00 24.44 H new ATOM 0 HA GLU A 59 15.722 0.733 -19.943 1.00 2.52 H new ATOM 0 HB2 GLU A 59 18.590 1.123 -20.075 1.00 3.12 H new ATOM 0 HB3 GLU A 59 18.305 -0.440 -19.337 1.00 3.12 H new ATOM 0 HG2 GLU A 59 17.024 0.508 -21.953 1.00 44.01 H new ATOM 0 HG3 GLU A 59 18.402 -0.570 -21.853 1.00 44.01 H new ATOM 951 N GLN A 60 17.000 0.558 -16.931 1.00 61.02 N ATOM 952 CA GLN A 60 16.773 -0.076 -15.610 1.00 54.52 C ATOM 953 C GLN A 60 15.528 0.509 -14.955 1.00 41.33 C ATOM 954 O GLN A 60 14.564 -0.189 -14.727 1.00 35.32 O ATOM 955 CB GLN A 60 18.016 0.235 -14.783 1.00 64.44 C ATOM 956 CG GLN A 60 18.277 -0.931 -13.830 1.00 14.31 C ATOM 957 CD GLN A 60 19.182 -0.466 -12.687 1.00 1.41 C ATOM 958 OE1 GLN A 60 19.518 0.699 -12.599 1.00 21.25 O ATOM 959 NE2 GLN A 60 19.593 -1.331 -11.800 1.00 33.21 N ATOM 0 H GLN A 60 17.705 1.295 -16.944 1.00 61.02 H new ATOM 0 HA GLN A 60 16.613 -1.151 -15.696 1.00 54.52 H new ATOM 0 HB2 GLN A 60 18.875 0.389 -15.436 1.00 64.44 H new ATOM 0 HB3 GLN A 60 17.874 1.158 -14.221 1.00 64.44 H new ATOM 0 HG2 GLN A 60 17.334 -1.306 -13.432 1.00 14.31 H new ATOM 0 HG3 GLN A 60 18.747 -1.755 -14.367 1.00 14.31 H new ATOM 0 HE21 GLN A 60 19.312 -2.309 -11.873 1.00 33.21 H new ATOM 0 HE22 GLN A 60 20.195 -1.029 -11.034 1.00 33.21 H new ATOM 968 N ARG A 61 15.514 1.777 -14.642 1.00 41.30 N ATOM 969 CA ARG A 61 14.283 2.307 -14.009 1.00 60.25 C ATOM 970 C ARG A 61 13.077 1.971 -14.904 1.00 44.44 C ATOM 971 O ARG A 61 12.103 1.478 -14.412 1.00 22.12 O ATOM 972 CB ARG A 61 14.452 3.817 -13.795 1.00 11.44 C ATOM 973 CG ARG A 61 15.508 4.096 -12.772 1.00 4.21 C ATOM 974 CD ARG A 61 15.184 3.339 -11.484 1.00 73.23 C ATOM 975 NE ARG A 61 15.783 4.158 -10.397 1.00 51.14 N ATOM 976 CZ ARG A 61 15.134 4.333 -9.280 1.00 11.45 C ATOM 977 NH1 ARG A 61 14.302 3.420 -8.858 1.00 3.21 N ATOM 978 NH2 ARG A 61 15.316 5.422 -8.585 1.00 35.24 N ATOM 0 H ARG A 61 16.272 2.443 -14.791 1.00 41.30 H new ATOM 0 HA ARG A 61 14.107 1.850 -13.035 1.00 60.25 H new ATOM 0 HB2 ARG A 61 14.718 4.295 -14.738 1.00 11.44 H new ATOM 0 HB3 ARG A 61 13.505 4.251 -13.474 1.00 11.44 H new ATOM 0 HG2 ARG A 61 16.484 3.792 -13.149 1.00 4.21 H new ATOM 0 HG3 ARG A 61 15.563 5.166 -12.573 1.00 4.21 H new ATOM 0 HD2 ARG A 61 14.108 3.231 -11.350 1.00 73.23 H new ATOM 0 HD3 ARG A 61 15.606 2.334 -11.500 1.00 73.23 H new ATOM 0 HE ARG A 61 16.701 4.583 -10.525 1.00 51.14 H new ATOM 0 HH11 ARG A 61 14.159 2.569 -9.402 1.00 3.21 H new ATOM 0 HH12 ARG A 61 13.794 3.557 -7.984 1.00 3.21 H new ATOM 0 HH21 ARG A 61 15.966 6.135 -8.916 1.00 35.24 H new ATOM 0 HH22 ARG A 61 14.809 5.560 -7.711 1.00 35.24 H new ATOM 992 N ARG A 62 13.098 2.176 -16.210 1.00 63.11 N ATOM 993 CA ARG A 62 11.873 1.755 -16.962 1.00 0.11 C ATOM 994 C ARG A 62 11.706 0.266 -16.704 1.00 24.53 C ATOM 995 O ARG A 62 10.631 -0.212 -16.465 1.00 24.53 O ATOM 996 CB ARG A 62 12.065 1.944 -18.461 1.00 55.13 C ATOM 997 CG ARG A 62 10.671 2.056 -19.075 1.00 55.42 C ATOM 998 CD ARG A 62 10.739 1.628 -20.536 1.00 40.14 C ATOM 999 NE ARG A 62 11.351 2.781 -21.249 1.00 1.12 N ATOM 1000 CZ ARG A 62 12.423 2.602 -21.972 1.00 13.21 C ATOM 1001 NH1 ARG A 62 12.376 1.838 -23.028 1.00 71.02 N ATOM 1002 NH2 ARG A 62 13.542 3.183 -21.637 1.00 21.13 N ATOM 0 H ARG A 62 13.857 2.588 -16.752 1.00 63.11 H new ATOM 0 HA ARG A 62 11.015 2.346 -16.641 1.00 0.11 H new ATOM 0 HB2 ARG A 62 12.650 2.840 -18.666 1.00 55.13 H new ATOM 0 HB3 ARG A 62 12.610 1.103 -18.890 1.00 55.13 H new ATOM 0 HG2 ARG A 62 9.968 1.426 -18.530 1.00 55.42 H new ATOM 0 HG3 ARG A 62 10.307 3.081 -18.999 1.00 55.42 H new ATOM 0 HD2 ARG A 62 11.340 0.727 -20.655 1.00 40.14 H new ATOM 0 HD3 ARG A 62 9.747 1.404 -20.928 1.00 40.14 H new ATOM 0 HE ARG A 62 10.934 3.709 -21.173 1.00 1.12 H new ATOM 0 HH11 ARG A 62 11.502 1.381 -23.288 1.00 71.02 H new ATOM 0 HH12 ARG A 62 13.213 1.698 -23.594 1.00 71.02 H new ATOM 0 HH21 ARG A 62 13.580 3.778 -20.809 1.00 21.13 H new ATOM 0 HH22 ARG A 62 14.379 3.042 -22.203 1.00 21.13 H new ATOM 1016 N ALA A 63 12.789 -0.480 -16.751 1.00 54.24 N ATOM 1017 CA ALA A 63 12.683 -1.942 -16.488 1.00 70.03 C ATOM 1018 C ALA A 63 12.030 -2.144 -15.128 1.00 72.51 C ATOM 1019 O ALA A 63 10.992 -2.759 -15.012 1.00 15.02 O ATOM 1020 CB ALA A 63 14.119 -2.451 -16.464 1.00 22.22 C ATOM 0 H ALA A 63 13.728 -0.139 -16.958 1.00 54.24 H new ATOM 0 HA ALA A 63 12.087 -2.467 -17.235 1.00 70.03 H new ATOM 0 HB1 ALA A 63 14.121 -3.524 -16.275 1.00 22.22 H new ATOM 0 HB2 ALA A 63 14.592 -2.251 -17.425 1.00 22.22 H new ATOM 0 HB3 ALA A 63 14.672 -1.942 -15.675 1.00 22.22 H new ATOM 1026 N GLU A 64 12.615 -1.597 -14.097 1.00 65.00 N ATOM 1027 CA GLU A 64 12.000 -1.725 -12.752 1.00 11.15 C ATOM 1028 C GLU A 64 10.628 -1.067 -12.812 1.00 44.12 C ATOM 1029 O GLU A 64 9.632 -1.618 -12.377 1.00 34.11 O ATOM 1030 CB GLU A 64 12.932 -0.965 -11.806 1.00 64.20 C ATOM 1031 CG GLU A 64 14.206 -1.782 -11.576 1.00 21.21 C ATOM 1032 CD GLU A 64 13.974 -2.786 -10.446 1.00 35.43 C ATOM 1033 OE1 GLU A 64 13.667 -2.352 -9.348 1.00 71.32 O ATOM 1034 OE2 GLU A 64 14.109 -3.973 -10.697 1.00 61.21 O ATOM 0 H GLU A 64 13.488 -1.070 -14.131 1.00 65.00 H new ATOM 0 HA GLU A 64 11.876 -2.756 -12.420 1.00 11.15 H new ATOM 0 HB2 GLU A 64 13.183 0.007 -12.230 1.00 64.20 H new ATOM 0 HB3 GLU A 64 12.430 -0.779 -10.856 1.00 64.20 H new ATOM 0 HG2 GLU A 64 14.484 -2.306 -12.490 1.00 21.21 H new ATOM 0 HG3 GLU A 64 15.034 -1.120 -11.324 1.00 21.21 H new ATOM 1041 N TYR A 65 10.566 0.105 -13.385 1.00 53.01 N ATOM 1042 CA TYR A 65 9.269 0.789 -13.514 1.00 52.43 C ATOM 1043 C TYR A 65 8.294 -0.170 -14.153 1.00 10.31 C ATOM 1044 O TYR A 65 7.248 -0.487 -13.634 1.00 2.30 O ATOM 1045 CB TYR A 65 9.499 1.949 -14.491 1.00 10.10 C ATOM 1046 CG TYR A 65 8.193 2.583 -14.727 1.00 72.31 C ATOM 1047 CD1 TYR A 65 7.372 2.811 -13.643 1.00 71.12 C ATOM 1048 CD2 TYR A 65 7.781 2.928 -16.017 1.00 54.33 C ATOM 1049 CE1 TYR A 65 6.148 3.381 -13.825 1.00 2.43 C ATOM 1050 CE2 TYR A 65 6.529 3.489 -16.200 1.00 14.54 C ATOM 1051 CZ TYR A 65 5.707 3.719 -15.107 1.00 63.21 C ATOM 1052 OH TYR A 65 4.454 4.243 -15.304 1.00 1.04 O ATOM 0 H TYR A 65 11.365 0.611 -13.767 1.00 53.01 H new ATOM 0 HA TYR A 65 8.888 1.129 -12.551 1.00 52.43 H new ATOM 0 HB2 TYR A 65 10.206 2.667 -14.076 1.00 10.10 H new ATOM 0 HB3 TYR A 65 9.925 1.586 -15.426 1.00 10.10 H new ATOM 0 HD1 TYR A 65 7.699 2.538 -12.651 1.00 71.12 H new ATOM 0 HD2 TYR A 65 8.432 2.759 -16.862 1.00 54.33 H new ATOM 0 HE1 TYR A 65 5.514 3.573 -12.972 1.00 2.43 H new ATOM 0 HE2 TYR A 65 6.192 3.747 -17.193 1.00 14.54 H new ATOM 0 HH TYR A 65 3.839 3.529 -15.574 1.00 1.04 H new ATOM 1062 N ASP A 66 8.666 -0.645 -15.284 1.00 71.51 N ATOM 1063 CA ASP A 66 7.799 -1.615 -16.005 1.00 73.51 C ATOM 1064 C ASP A 66 7.669 -2.891 -15.171 1.00 62.42 C ATOM 1065 O ASP A 66 6.642 -3.539 -15.164 1.00 62.43 O ATOM 1066 CB ASP A 66 8.513 -1.905 -17.326 1.00 30.52 C ATOM 1067 CG ASP A 66 8.101 -0.864 -18.369 1.00 23.43 C ATOM 1068 OD1 ASP A 66 7.343 0.026 -18.022 1.00 44.32 O ATOM 1069 OD2 ASP A 66 8.552 -0.976 -19.498 1.00 51.21 O ATOM 0 H ASP A 66 9.539 -0.409 -15.756 1.00 71.51 H new ATOM 0 HA ASP A 66 6.795 -1.228 -16.178 1.00 73.51 H new ATOM 0 HB2 ASP A 66 9.593 -1.882 -17.180 1.00 30.52 H new ATOM 0 HB3 ASP A 66 8.260 -2.906 -17.676 1.00 30.52 H new ATOM 1074 N GLN A 67 8.703 -3.246 -14.455 1.00 50.31 N ATOM 1075 CA GLN A 67 8.642 -4.473 -13.613 1.00 75.54 C ATOM 1076 C GLN A 67 7.420 -4.403 -12.702 1.00 13.03 C ATOM 1077 O GLN A 67 6.653 -5.340 -12.600 1.00 73.22 O ATOM 1078 CB GLN A 67 9.931 -4.467 -12.792 1.00 41.42 C ATOM 1079 CG GLN A 67 10.080 -5.806 -12.069 1.00 13.40 C ATOM 1080 CD GLN A 67 10.731 -6.823 -13.009 1.00 64.13 C ATOM 1081 OE1 GLN A 67 10.248 -7.929 -13.154 1.00 63.43 O ATOM 1082 NE2 GLN A 67 11.815 -6.494 -13.656 1.00 11.44 N ATOM 0 H GLN A 67 9.587 -2.738 -14.418 1.00 50.31 H new ATOM 0 HA GLN A 67 8.555 -5.383 -14.206 1.00 75.54 H new ATOM 0 HB2 GLN A 67 10.789 -4.295 -13.443 1.00 41.42 H new ATOM 0 HB3 GLN A 67 9.911 -3.651 -12.069 1.00 41.42 H new ATOM 0 HG2 GLN A 67 10.688 -5.682 -11.173 1.00 13.40 H new ATOM 0 HG3 GLN A 67 9.104 -6.167 -11.745 1.00 13.40 H new ATOM 0 HE21 GLN A 67 12.220 -5.566 -13.534 1.00 11.44 H new ATOM 0 HE22 GLN A 67 12.258 -7.165 -14.284 1.00 11.44 H new ATOM 1091 N MET A 68 7.217 -3.289 -12.058 1.00 73.35 N ATOM 1092 CA MET A 68 6.012 -3.170 -11.177 1.00 64.14 C ATOM 1093 C MET A 68 4.780 -2.971 -12.062 1.00 60.34 C ATOM 1094 O MET A 68 3.702 -3.449 -11.765 1.00 62.33 O ATOM 1095 CB MET A 68 6.194 -1.951 -10.237 1.00 23.45 C ATOM 1096 CG MET A 68 7.549 -1.257 -10.432 1.00 3.52 C ATOM 1097 SD MET A 68 7.704 0.109 -9.251 1.00 44.12 S ATOM 1098 CE MET A 68 7.460 1.453 -10.437 1.00 40.52 C ATOM 0 H MET A 68 7.819 -2.466 -12.098 1.00 73.35 H new ATOM 0 HA MET A 68 5.886 -4.070 -10.575 1.00 64.14 H new ATOM 0 HB2 MET A 68 5.393 -1.234 -10.417 1.00 23.45 H new ATOM 0 HB3 MET A 68 6.102 -2.278 -9.201 1.00 23.45 H new ATOM 0 HG2 MET A 68 8.360 -1.971 -10.287 1.00 3.52 H new ATOM 0 HG3 MET A 68 7.634 -0.882 -11.452 1.00 3.52 H new ATOM 0 HE1 MET A 68 8.264 2.181 -10.332 1.00 40.52 H new ATOM 0 HE2 MET A 68 7.465 1.050 -11.450 1.00 40.52 H new ATOM 0 HE3 MET A 68 6.503 1.939 -10.245 1.00 40.52 H new ATOM 1108 N TRP A 69 4.935 -2.266 -13.151 1.00 0.11 N ATOM 1109 CA TRP A 69 3.776 -2.030 -14.065 1.00 31.34 C ATOM 1110 C TRP A 69 3.280 -3.364 -14.666 1.00 34.35 C ATOM 1111 O TRP A 69 2.835 -4.236 -13.946 1.00 53.12 O ATOM 1112 CB TRP A 69 4.318 -1.070 -15.134 1.00 65.03 C ATOM 1113 CG TRP A 69 3.257 -0.083 -15.531 1.00 2.21 C ATOM 1114 CD1 TRP A 69 3.448 1.254 -15.608 1.00 74.25 C ATOM 1115 CD2 TRP A 69 1.858 -0.313 -15.895 1.00 63.25 C ATOM 1116 NE1 TRP A 69 2.270 1.857 -16.004 1.00 62.53 N ATOM 1117 CE2 TRP A 69 1.262 0.937 -16.194 1.00 61.24 C ATOM 1118 CE3 TRP A 69 1.054 -1.465 -16.002 1.00 44.24 C ATOM 1119 CZ2 TRP A 69 -0.074 1.042 -16.579 1.00 44.12 C ATOM 1120 CZ3 TRP A 69 -0.292 -1.361 -16.388 1.00 11.24 C ATOM 1121 CH2 TRP A 69 -0.854 -0.111 -16.678 1.00 32.44 C ATOM 0 H TRP A 69 5.814 -1.843 -13.448 1.00 0.11 H new ATOM 0 HA TRP A 69 2.910 -1.605 -13.557 1.00 31.34 H new ATOM 0 HB2 TRP A 69 5.191 -0.542 -14.750 1.00 65.03 H new ATOM 0 HB3 TRP A 69 4.645 -1.634 -16.007 1.00 65.03 H new ATOM 0 HD1 TRP A 69 4.374 1.768 -15.394 1.00 74.25 H new ATOM 0 HE1 TRP A 69 2.160 2.862 -16.139 1.00 62.53 H new ATOM 0 HE3 TRP A 69 1.476 -2.435 -15.786 1.00 44.24 H new ATOM 0 HZ2 TRP A 69 -0.502 2.009 -16.799 1.00 44.12 H new ATOM 0 HZ3 TRP A 69 -0.899 -2.251 -16.462 1.00 11.24 H new ATOM 0 HH2 TRP A 69 -1.889 -0.040 -16.978 1.00 32.44 H new ATOM 1132 N GLN A 70 3.317 -3.529 -15.968 1.00 72.42 N ATOM 1133 CA GLN A 70 2.811 -4.798 -16.578 1.00 42.34 C ATOM 1134 C GLN A 70 3.900 -5.881 -16.614 1.00 50.43 C ATOM 1135 O GLN A 70 3.611 -7.058 -16.528 1.00 10.53 O ATOM 1136 CB GLN A 70 2.387 -4.395 -17.998 1.00 43.14 C ATOM 1137 CG GLN A 70 2.436 -5.608 -18.933 1.00 22.14 C ATOM 1138 CD GLN A 70 2.079 -5.166 -20.354 1.00 22.51 C ATOM 1139 OE1 GLN A 70 2.872 -5.305 -21.263 1.00 62.12 O ATOM 1140 NE2 GLN A 70 0.908 -4.637 -20.586 1.00 15.43 N ATOM 0 H GLN A 70 3.675 -2.842 -16.631 1.00 72.42 H new ATOM 0 HA GLN A 70 1.991 -5.229 -16.003 1.00 42.34 H new ATOM 0 HB2 GLN A 70 1.378 -3.982 -17.980 1.00 43.14 H new ATOM 0 HB3 GLN A 70 3.046 -3.612 -18.373 1.00 43.14 H new ATOM 0 HG2 GLN A 70 3.431 -6.054 -18.918 1.00 22.14 H new ATOM 0 HG3 GLN A 70 1.739 -6.373 -18.592 1.00 22.14 H new ATOM 0 HE21 GLN A 70 0.241 -4.520 -19.823 1.00 15.43 H new ATOM 0 HE22 GLN A 70 0.660 -4.341 -21.530 1.00 15.43 H new ATOM 1149 N HIS A 71 5.143 -5.508 -16.753 1.00 4.33 N ATOM 1150 CA HIS A 71 6.221 -6.542 -16.806 1.00 72.03 C ATOM 1151 C HIS A 71 6.298 -7.318 -15.485 1.00 73.24 C ATOM 1152 O HIS A 71 7.003 -8.301 -15.375 1.00 1.34 O ATOM 1153 CB HIS A 71 7.515 -5.766 -17.056 1.00 44.04 C ATOM 1154 CG HIS A 71 7.536 -5.273 -18.478 1.00 53.02 C ATOM 1155 ND1 HIS A 71 6.687 -4.451 -19.177 1.00 31.23 N flip ATOM 1156 CD2 HIS A 71 8.537 -5.630 -19.369 1.00 25.11 C flip ATOM 1157 CE1 HIS A 71 7.151 -4.299 -20.482 1.00 2.23 C flip ATOM 1158 NE2 HIS A 71 8.268 -5.030 -20.543 1.00 41.14 N flip ATOM 0 H HIS A 71 5.459 -4.541 -16.832 1.00 4.33 H new ATOM 0 HA HIS A 71 6.035 -7.280 -17.586 1.00 72.03 H new ATOM 0 HB2 HIS A 71 7.586 -4.925 -16.367 1.00 44.04 H new ATOM 0 HB3 HIS A 71 8.377 -6.406 -16.869 1.00 44.04 H new ATOM 0 HD2 HIS A 71 9.379 -6.273 -19.159 1.00 25.11 H new ATOM 0 HE1 HIS A 71 6.704 -3.716 -21.274 1.00 2.23 H new ATOM 0 HE2 HIS A 71 8.846 -5.122 -21.378 1.00 41.14 H new ATOM 1166 N ARG A 72 5.575 -6.892 -14.484 1.00 33.23 N ATOM 1167 CA ARG A 72 5.609 -7.617 -13.180 1.00 23.42 C ATOM 1168 C ARG A 72 7.058 -7.881 -12.758 1.00 31.45 C ATOM 1169 O ARG A 72 7.255 -8.677 -11.854 1.00 63.12 O ATOM 1170 CB ARG A 72 4.879 -8.935 -13.443 1.00 14.15 C ATOM 1171 CG ARG A 72 3.367 -8.702 -13.400 1.00 21.31 C ATOM 1172 CD ARG A 72 2.703 -9.427 -14.574 1.00 63.31 C ATOM 1173 NE ARG A 72 1.776 -10.409 -13.945 1.00 72.31 N ATOM 1174 CZ ARG A 72 2.047 -11.685 -13.988 1.00 14.32 C ATOM 1175 NH1 ARG A 72 3.288 -12.087 -14.028 1.00 42.11 N ATOM 1176 NH2 ARG A 72 1.078 -12.559 -13.990 1.00 4.23 N ATOM 1177 OXT ARG A 72 7.944 -7.284 -13.346 1.00 63.12 O ATOM 0 H ARG A 72 4.964 -6.076 -14.512 1.00 33.23 H new ATOM 0 HA ARG A 72 5.144 -7.045 -12.377 1.00 23.42 H new ATOM 0 HB2 ARG A 72 5.168 -9.335 -14.415 1.00 14.15 H new ATOM 0 HB3 ARG A 72 5.164 -9.676 -12.696 1.00 14.15 H new ATOM 0 HG2 ARG A 72 2.959 -9.066 -12.457 1.00 21.31 H new ATOM 0 HG3 ARG A 72 3.152 -7.635 -13.450 1.00 21.31 H new ATOM 0 HD2 ARG A 72 2.164 -8.729 -15.215 1.00 63.31 H new ATOM 0 HD3 ARG A 72 3.443 -9.927 -15.199 1.00 63.31 H new ATOM 0 HE ARG A 72 0.928 -10.084 -13.480 1.00 72.31 H new ATOM 0 HH11 ARG A 72 4.046 -11.404 -14.026 1.00 42.11 H new ATOM 0 HH12 ARG A 72 3.500 -13.084 -14.062 1.00 42.11 H new ATOM 0 HH21 ARG A 72 0.108 -12.245 -13.958 1.00 4.23 H new ATOM 0 HH22 ARG A 72 1.291 -13.556 -14.024 1.00 4.23 H new TER 1191 ARG A 72