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+ -132:sc= -0.124 (180deg=-3.04!) USER MOD Single : A 6 TYR OH : rot -4:sc= 0.0909 USER MOD Single : A 7 TYR OH : rot -105:sc= -7.01! USER MOD Single : A 10 MET CE :methyl -138:sc= -21.3! (180deg=-25.3!) USER MOD Single : A 13 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0935) USER MOD Single : A 15 THR OG1 : rot 66:sc= 0.651 USER MOD Single : A 19 LYS NZ :NH3+ -130:sc= -0.0627 (180deg=-0.635) USER MOD Single : A 20 THR OG1 : rot 103:sc= -1.55! USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.753 (180deg=-1.07) USER MOD Single : A 23 THR OG1 : rot 100:sc= 0.151 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 9:sc= -0.651! USER MOD Single : A 33 HIS : no HD1:sc= -5.7! C(o=-5.7!,f=-8.9!) USER MOD Single : A 37 SER OG : rot -99:sc= -5.52! 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 -53:sc= 0.723! USER MOD Single : A 60 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.041) USER MOD Single : A 65 TYR OH : rot -92:sc= -5.66! USER MOD Single : A 67 GLN : amide:sc=-0.00671 K(o=-0.0067,f=-0.58) USER MOD Single : A 68 MET CE :methyl -124:sc= -14.4! (180deg=-19.6!) USER MOD Single : A 70 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.6!) USER MOD Single : A 71 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 4.113 -1.044 -5.963 1.00 40.10 N ATOM 2 CA GLU A 2 3.107 -0.251 -6.723 1.00 71.25 C ATOM 3 C GLU A 2 3.799 0.486 -7.870 1.00 41.21 C ATOM 4 O GLU A 2 4.698 1.276 -7.661 1.00 73.20 O ATOM 5 CB GLU A 2 2.526 0.737 -5.711 1.00 75.03 C ATOM 6 CG GLU A 2 1.178 0.213 -5.211 1.00 22.04 C ATOM 7 CD GLU A 2 0.363 1.369 -4.631 1.00 73.42 C ATOM 8 OE1 GLU A 2 0.948 2.202 -3.959 1.00 35.03 O ATOM 9 OE2 GLU A 2 -0.834 1.401 -4.868 1.00 32.23 O ATOM 0 HA GLU A 2 2.327 -0.872 -7.163 1.00 71.25 H new ATOM 0 HB2 GLU A 2 3.213 0.865 -4.874 1.00 75.03 H new ATOM 0 HB3 GLU A 2 2.400 1.716 -6.172 1.00 75.03 H new ATOM 0 HG2 GLU A 2 0.632 -0.256 -6.030 1.00 22.04 H new ATOM 0 HG3 GLU A 2 1.333 -0.553 -4.451 1.00 22.04 H new ATOM 16 N LEU A 3 3.402 0.218 -9.080 1.00 25.15 N ATOM 17 CA LEU A 3 4.055 0.886 -10.240 1.00 30.15 C ATOM 18 C LEU A 3 3.564 2.306 -10.424 1.00 2.41 C ATOM 19 O LEU A 3 2.405 2.543 -10.705 1.00 3.43 O ATOM 20 CB LEU A 3 3.624 0.093 -11.470 1.00 64.35 C ATOM 21 CG LEU A 3 4.474 0.463 -12.684 1.00 61.12 C ATOM 22 CD1 LEU A 3 4.214 1.914 -13.056 1.00 55.40 C ATOM 23 CD2 LEU A 3 5.950 0.301 -12.375 1.00 20.53 C ATOM 0 H LEU A 3 2.654 -0.434 -9.317 1.00 25.15 H new ATOM 0 HA LEU A 3 5.134 0.917 -10.086 1.00 30.15 H new ATOM 0 HB2 LEU A 3 3.715 -0.975 -11.269 1.00 64.35 H new ATOM 0 HB3 LEU A 3 2.573 0.289 -11.684 1.00 64.35 H new ATOM 0 HG LEU A 3 4.206 -0.198 -13.508 1.00 61.12 H new ATOM 0 HD11 LEU A 3 4.819 2.182 -13.922 1.00 55.40 H new ATOM 0 HD12 LEU A 3 3.159 2.045 -13.296 1.00 55.40 H new ATOM 0 HD13 LEU A 3 4.477 2.558 -12.217 1.00 55.40 H new ATOM 0 HD21 LEU A 3 6.537 0.570 -13.253 1.00 20.53 H new ATOM 0 HD22 LEU A 3 6.221 0.952 -11.544 1.00 20.53 H new ATOM 0 HD23 LEU A 3 6.154 -0.735 -12.106 1.00 20.53 H new ATOM 35 N LYS A 4 4.449 3.244 -10.386 1.00 75.44 N ATOM 36 CA LYS A 4 4.032 4.617 -10.690 1.00 20.41 C ATOM 37 C LYS A 4 3.864 4.663 -12.177 1.00 61.43 C ATOM 38 O LYS A 4 4.813 4.591 -12.896 1.00 14.13 O ATOM 39 CB LYS A 4 5.163 5.525 -10.252 1.00 74.25 C ATOM 40 CG LYS A 4 4.590 6.612 -9.364 1.00 41.23 C ATOM 41 CD LYS A 4 5.268 7.950 -9.671 1.00 51.52 C ATOM 42 CE LYS A 4 5.645 8.637 -8.357 1.00 35.13 C ATOM 43 NZ LYS A 4 4.426 9.394 -7.957 1.00 34.04 N ATOM 0 H LYS A 4 5.436 3.119 -10.159 1.00 75.44 H new ATOM 0 HA LYS A 4 3.112 4.924 -10.192 1.00 20.41 H new ATOM 0 HB2 LYS A 4 5.919 4.955 -9.713 1.00 74.25 H new ATOM 0 HB3 LYS A 4 5.654 5.965 -11.120 1.00 74.25 H new ATOM 0 HG2 LYS A 4 3.515 6.695 -9.524 1.00 41.23 H new ATOM 0 HG3 LYS A 4 4.737 6.352 -8.316 1.00 41.23 H new ATOM 0 HD2 LYS A 4 6.158 7.789 -10.279 1.00 51.52 H new ATOM 0 HD3 LYS A 4 4.598 8.587 -10.249 1.00 51.52 H new ATOM 0 HE2 LYS A 4 5.925 7.908 -7.596 1.00 35.13 H new ATOM 0 HE3 LYS A 4 6.498 9.303 -8.490 1.00 35.13 H new ATOM 0 HZ1 LYS A 4 4.690 10.366 -7.699 1.00 34.04 H new ATOM 0 HZ2 LYS A 4 3.755 9.417 -8.751 1.00 34.04 H new ATOM 0 HZ3 LYS A 4 3.980 8.928 -7.141 1.00 34.04 H new ATOM 57 N ASP A 5 2.674 4.726 -12.648 1.00 50.14 N ATOM 58 CA ASP A 5 2.487 4.691 -14.116 1.00 73.43 C ATOM 59 C ASP A 5 3.154 5.902 -14.769 1.00 12.41 C ATOM 60 O ASP A 5 2.523 6.746 -15.352 1.00 73.12 O ATOM 61 CB ASP A 5 0.971 4.695 -14.306 1.00 34.52 C ATOM 62 CG ASP A 5 0.390 6.010 -13.785 1.00 24.42 C ATOM 63 OD1 ASP A 5 1.043 6.642 -12.972 1.00 31.54 O ATOM 64 OD2 ASP A 5 -0.699 6.363 -14.209 1.00 35.45 O ATOM 0 H ASP A 5 1.821 4.800 -12.093 1.00 50.14 H new ATOM 0 HA ASP A 5 2.944 3.820 -14.585 1.00 73.43 H new ATOM 0 HB2 ASP A 5 0.727 4.571 -15.361 1.00 34.52 H new ATOM 0 HB3 ASP A 5 0.526 3.854 -13.775 1.00 34.52 H new ATOM 69 N TYR A 6 4.457 5.974 -14.673 1.00 0.03 N ATOM 70 CA TYR A 6 5.211 7.092 -15.292 1.00 74.42 C ATOM 71 C TYR A 6 4.666 7.378 -16.614 1.00 34.12 C ATOM 72 O TYR A 6 4.244 8.464 -16.941 1.00 25.15 O ATOM 73 CB TYR A 6 6.581 6.560 -15.529 1.00 63.45 C ATOM 74 CG TYR A 6 7.264 6.449 -14.242 1.00 41.32 C ATOM 75 CD1 TYR A 6 7.094 7.387 -13.232 1.00 64.31 C ATOM 76 CD2 TYR A 6 8.053 5.376 -14.065 1.00 51.23 C ATOM 77 CE1 TYR A 6 7.754 7.219 -12.041 1.00 32.10 C ATOM 78 CE2 TYR A 6 8.707 5.172 -12.886 1.00 73.02 C ATOM 79 CZ TYR A 6 8.573 6.099 -11.846 1.00 13.41 C ATOM 80 OH TYR A 6 9.227 5.907 -10.646 1.00 32.24 O ATOM 0 H TYR A 6 5.035 5.291 -14.183 1.00 0.03 H new ATOM 0 HA TYR A 6 5.174 7.981 -14.662 1.00 74.42 H new ATOM 0 HB2 TYR A 6 6.530 5.586 -16.016 1.00 63.45 H new ATOM 0 HB3 TYR A 6 7.134 7.222 -16.196 1.00 63.45 H new ATOM 0 HD1 TYR A 6 6.449 8.240 -13.383 1.00 64.31 H new ATOM 0 HD2 TYR A 6 8.171 4.664 -14.869 1.00 51.23 H new ATOM 0 HE1 TYR A 6 7.642 7.950 -11.254 1.00 32.10 H new ATOM 0 HE2 TYR A 6 9.327 4.297 -12.755 1.00 73.02 H new ATOM 0 HH TYR A 6 9.066 6.675 -10.059 1.00 32.24 H new ATOM 90 N TYR A 7 4.716 6.385 -17.402 1.00 3.02 N ATOM 91 CA TYR A 7 4.250 6.535 -18.743 1.00 72.33 C ATOM 92 C TYR A 7 2.972 7.271 -18.743 1.00 61.13 C ATOM 93 O TYR A 7 2.650 8.051 -19.613 1.00 62.34 O ATOM 94 CB TYR A 7 4.067 5.122 -19.238 1.00 61.10 C ATOM 95 CG TYR A 7 5.407 4.513 -19.407 1.00 13.03 C ATOM 96 CD1 TYR A 7 6.491 5.320 -19.722 1.00 21.24 C ATOM 97 CD2 TYR A 7 5.553 3.148 -19.296 1.00 35.21 C ATOM 98 CE1 TYR A 7 7.731 4.771 -19.940 1.00 4.12 C ATOM 99 CE2 TYR A 7 6.807 2.576 -19.500 1.00 22.13 C ATOM 100 CZ TYR A 7 7.902 3.387 -19.833 1.00 31.10 C ATOM 101 OH TYR A 7 9.136 2.825 -20.059 1.00 0.24 O ATOM 0 H TYR A 7 5.069 5.459 -17.160 1.00 3.02 H new ATOM 0 HA TYR A 7 4.936 7.098 -19.377 1.00 72.33 H new ATOM 0 HB2 TYR A 7 3.474 4.545 -18.529 1.00 61.10 H new ATOM 0 HB3 TYR A 7 3.526 5.118 -20.184 1.00 61.10 H new ATOM 0 HD1 TYR A 7 6.358 6.389 -19.796 1.00 21.24 H new ATOM 0 HD2 TYR A 7 4.704 2.527 -19.053 1.00 35.21 H new ATOM 0 HE1 TYR A 7 8.569 5.404 -20.192 1.00 4.12 H new ATOM 0 HE2 TYR A 7 6.936 1.508 -19.402 1.00 22.13 H new ATOM 0 HH TYR A 7 9.139 2.382 -20.933 1.00 0.24 H new ATOM 111 N ALA A 8 2.270 7.039 -17.741 1.00 24.44 N ATOM 112 CA ALA A 8 1.015 7.718 -17.597 1.00 52.15 C ATOM 113 C ALA A 8 1.324 9.112 -17.112 1.00 44.53 C ATOM 114 O ALA A 8 0.942 10.114 -17.685 1.00 4.10 O ATOM 115 CB ALA A 8 0.368 6.925 -16.492 1.00 41.55 C ATOM 0 H ALA A 8 2.511 6.392 -16.990 1.00 24.44 H new ATOM 0 HA ALA A 8 0.403 7.789 -18.496 1.00 52.15 H new ATOM 0 HB1 ALA A 8 -0.616 7.341 -16.274 1.00 41.55 H new ATOM 0 HB2 ALA A 8 0.262 5.886 -16.804 1.00 41.55 H new ATOM 0 HB3 ALA A 8 0.989 6.974 -15.597 1.00 41.55 H new ATOM 121 N ILE A 9 2.068 9.146 -16.053 1.00 21.55 N ATOM 122 CA ILE A 9 2.503 10.421 -15.470 1.00 51.51 C ATOM 123 C ILE A 9 2.942 11.335 -16.588 1.00 43.34 C ATOM 124 O ILE A 9 2.519 12.465 -16.728 1.00 51.43 O ATOM 125 CB ILE A 9 3.722 10.026 -14.651 1.00 40.32 C ATOM 126 CG1 ILE A 9 3.305 9.723 -13.239 1.00 71.00 C ATOM 127 CG2 ILE A 9 4.745 11.130 -14.648 1.00 40.03 C ATOM 128 CD1 ILE A 9 3.847 8.354 -12.927 1.00 52.15 C ATOM 0 H ILE A 9 2.399 8.318 -15.558 1.00 21.55 H new ATOM 0 HA ILE A 9 1.732 10.927 -14.889 1.00 51.51 H new ATOM 0 HB ILE A 9 4.169 9.140 -15.102 1.00 40.32 H new ATOM 0 HG12 ILE A 9 3.702 10.466 -12.548 1.00 71.00 H new ATOM 0 HG13 ILE A 9 2.220 9.744 -13.140 1.00 71.00 H new ATOM 0 HG21 ILE A 9 5.608 10.825 -14.056 1.00 40.03 H new ATOM 0 HG22 ILE A 9 5.061 11.336 -15.671 1.00 40.03 H new ATOM 0 HG23 ILE A 9 4.308 12.030 -14.215 1.00 40.03 H new ATOM 0 HD11 ILE A 9 3.574 8.078 -11.908 1.00 52.15 H new ATOM 0 HD12 ILE A 9 3.427 7.629 -13.624 1.00 52.15 H new ATOM 0 HD13 ILE A 9 4.933 8.362 -13.022 1.00 52.15 H new ATOM 140 N MET A 10 3.849 10.819 -17.352 1.00 54.31 N ATOM 141 CA MET A 10 4.434 11.574 -18.453 1.00 61.30 C ATOM 142 C MET A 10 3.545 11.540 -19.690 1.00 72.50 C ATOM 143 O MET A 10 3.937 11.918 -20.773 1.00 31.13 O ATOM 144 CB MET A 10 5.780 10.931 -18.619 1.00 4.31 C ATOM 145 CG MET A 10 5.682 9.536 -19.198 1.00 33.12 C ATOM 146 SD MET A 10 7.122 9.268 -20.243 1.00 55.53 S ATOM 147 CE MET A 10 8.385 10.136 -19.264 1.00 55.03 C ATOM 0 H MET A 10 4.214 9.872 -17.247 1.00 54.31 H new ATOM 0 HA MET A 10 4.531 12.644 -18.268 1.00 61.30 H new ATOM 0 HB2 MET A 10 6.398 11.550 -19.270 1.00 4.31 H new ATOM 0 HB3 MET A 10 6.281 10.886 -17.652 1.00 4.31 H new ATOM 0 HG2 MET A 10 5.646 8.794 -18.401 1.00 33.12 H new ATOM 0 HG3 MET A 10 4.765 9.427 -19.777 1.00 33.12 H new ATOM 0 HE1 MET A 10 9.028 10.713 -19.929 1.00 55.03 H new ATOM 0 HE2 MET A 10 7.899 10.808 -18.556 1.00 55.03 H new ATOM 0 HE3 MET A 10 8.986 9.408 -18.719 1.00 55.03 H new ATOM 157 N GLY A 11 2.332 11.109 -19.511 1.00 41.32 N ATOM 158 CA GLY A 11 1.364 11.069 -20.650 1.00 72.21 C ATOM 159 C GLY A 11 2.051 10.387 -21.807 1.00 61.42 C ATOM 160 O GLY A 11 2.547 11.013 -22.722 1.00 31.33 O ATOM 0 H GLY A 11 1.961 10.779 -18.620 1.00 41.32 H new ATOM 0 HA2 GLY A 11 0.462 10.527 -20.367 1.00 72.21 H new ATOM 0 HA3 GLY A 11 1.057 12.077 -20.927 1.00 72.21 H new ATOM 164 N VAL A 12 2.158 9.109 -21.717 1.00 75.03 N ATOM 165 CA VAL A 12 2.890 8.354 -22.727 1.00 73.14 C ATOM 166 C VAL A 12 2.260 6.996 -22.950 1.00 4.11 C ATOM 167 O VAL A 12 1.100 6.748 -22.688 1.00 2.11 O ATOM 168 CB VAL A 12 4.234 8.226 -22.023 1.00 75.34 C ATOM 169 CG1 VAL A 12 4.428 6.917 -21.344 1.00 62.44 C ATOM 170 CG2 VAL A 12 5.379 8.382 -22.908 1.00 42.30 C ATOM 0 H VAL A 12 1.758 8.547 -20.966 1.00 75.03 H new ATOM 0 HA VAL A 12 2.925 8.809 -23.717 1.00 73.14 H new ATOM 0 HB VAL A 12 4.193 9.039 -21.298 1.00 75.34 H new ATOM 0 HG11 VAL A 12 5.407 6.897 -20.864 1.00 62.44 H new ATOM 0 HG12 VAL A 12 3.652 6.779 -20.591 1.00 62.44 H new ATOM 0 HG13 VAL A 12 4.368 6.114 -22.078 1.00 62.44 H new ATOM 0 HG21 VAL A 12 6.300 8.278 -22.334 1.00 42.30 H new ATOM 0 HG22 VAL A 12 5.346 7.617 -23.683 1.00 42.30 H new ATOM 0 HG23 VAL A 12 5.350 9.369 -23.371 1.00 42.30 H new ATOM 180 N LYS A 13 3.073 6.132 -23.413 1.00 60.24 N ATOM 181 CA LYS A 13 2.674 4.739 -23.676 1.00 4.13 C ATOM 182 C LYS A 13 3.287 3.852 -22.587 1.00 12.11 C ATOM 183 O LYS A 13 4.392 4.100 -22.147 1.00 31.02 O ATOM 184 CB LYS A 13 3.320 4.482 -25.014 1.00 44.24 C ATOM 185 CG LYS A 13 2.352 4.830 -26.142 1.00 64.54 C ATOM 186 CD LYS A 13 2.229 6.344 -26.244 1.00 11.01 C ATOM 187 CE LYS A 13 2.937 6.842 -27.505 1.00 33.21 C ATOM 188 NZ LYS A 13 2.014 6.506 -28.625 1.00 72.31 N ATOM 0 H LYS A 13 4.048 6.335 -23.634 1.00 60.24 H new ATOM 0 HA LYS A 13 1.601 4.547 -23.678 1.00 4.13 H new ATOM 0 HB2 LYS A 13 4.228 5.077 -25.108 1.00 44.24 H new ATOM 0 HB3 LYS A 13 3.616 3.435 -25.088 1.00 44.24 H new ATOM 0 HG2 LYS A 13 2.710 4.417 -27.085 1.00 64.54 H new ATOM 0 HG3 LYS A 13 1.375 4.386 -25.950 1.00 64.54 H new ATOM 0 HD2 LYS A 13 1.178 6.631 -26.270 1.00 11.01 H new ATOM 0 HD3 LYS A 13 2.666 6.813 -25.362 1.00 11.01 H new ATOM 0 HE2 LYS A 13 3.123 7.915 -27.455 1.00 33.21 H new ATOM 0 HE3 LYS A 13 3.905 6.356 -27.632 1.00 33.21 H new ATOM 0 HZ1 LYS A 13 2.537 5.995 -29.365 1.00 72.31 H new ATOM 0 HZ2 LYS A 13 1.242 5.906 -28.270 1.00 72.31 H new ATOM 0 HZ3 LYS A 13 1.618 7.381 -29.023 1.00 72.31 H new ATOM 202 N PRO A 14 2.559 2.861 -22.167 1.00 3.53 N ATOM 203 CA PRO A 14 3.064 1.967 -21.098 1.00 42.42 C ATOM 204 C PRO A 14 4.203 1.074 -21.603 1.00 55.35 C ATOM 205 O PRO A 14 5.050 0.651 -20.842 1.00 55.42 O ATOM 206 CB PRO A 14 1.843 1.145 -20.713 1.00 21.42 C ATOM 207 CG PRO A 14 0.960 1.171 -21.923 1.00 31.13 C ATOM 208 CD PRO A 14 1.224 2.475 -22.632 1.00 43.50 C ATOM 0 HA PRO A 14 3.486 2.516 -20.256 1.00 42.42 H new ATOM 0 HB2 PRO A 14 2.121 0.125 -20.450 1.00 21.42 H new ATOM 0 HB3 PRO A 14 1.338 1.571 -19.846 1.00 21.42 H new ATOM 0 HG2 PRO A 14 1.176 0.326 -22.577 1.00 31.13 H new ATOM 0 HG3 PRO A 14 -0.089 1.093 -21.637 1.00 31.13 H new ATOM 0 HD2 PRO A 14 1.197 2.354 -23.715 1.00 43.50 H new ATOM 0 HD3 PRO A 14 0.478 3.228 -22.376 1.00 43.50 H new ATOM 216 N THR A 15 4.237 0.785 -22.874 1.00 22.03 N ATOM 217 CA THR A 15 5.332 -0.080 -23.408 1.00 11.50 C ATOM 218 C THR A 15 6.043 0.633 -24.554 1.00 43.33 C ATOM 219 O THR A 15 6.290 0.066 -25.600 1.00 13.30 O ATOM 220 CB THR A 15 4.636 -1.344 -23.906 1.00 33.03 C ATOM 221 OG1 THR A 15 3.980 -1.070 -25.137 1.00 63.12 O ATOM 222 CG2 THR A 15 3.613 -1.794 -22.867 1.00 33.32 C ATOM 0 H THR A 15 3.559 1.107 -23.565 1.00 22.03 H new ATOM 0 HA THR A 15 6.087 -0.308 -22.656 1.00 11.50 H new ATOM 0 HB THR A 15 5.371 -2.134 -24.060 1.00 33.03 H new ATOM 0 HG1 THR A 15 4.647 -0.865 -25.825 1.00 63.12 H new ATOM 0 HG21 THR A 15 3.112 -2.697 -23.217 1.00 33.32 H new ATOM 0 HG22 THR A 15 4.119 -2.002 -21.924 1.00 33.32 H new ATOM 0 HG23 THR A 15 2.876 -1.005 -22.717 1.00 33.32 H new ATOM 230 N ASP A 16 6.363 1.877 -24.363 1.00 33.21 N ATOM 231 CA ASP A 16 7.049 2.644 -25.439 1.00 43.14 C ATOM 232 C ASP A 16 8.552 2.736 -25.192 1.00 55.40 C ATOM 233 O ASP A 16 9.098 2.088 -24.321 1.00 4.15 O ATOM 234 CB ASP A 16 6.429 4.025 -25.401 1.00 51.54 C ATOM 235 CG ASP A 16 6.003 4.382 -26.823 1.00 3.42 C ATOM 236 OD1 ASP A 16 6.875 4.461 -27.673 1.00 71.32 O ATOM 237 OD2 ASP A 16 4.821 4.561 -27.046 1.00 2.52 O ATOM 0 H ASP A 16 6.180 2.400 -23.507 1.00 33.21 H new ATOM 0 HA ASP A 16 6.927 2.158 -26.407 1.00 43.14 H new ATOM 0 HB2 ASP A 16 5.571 4.040 -24.729 1.00 51.54 H new ATOM 0 HB3 ASP A 16 7.144 4.755 -25.021 1.00 51.54 H new ATOM 242 N ASP A 17 9.216 3.558 -25.953 1.00 43.34 N ATOM 243 CA ASP A 17 10.680 3.735 -25.780 1.00 65.22 C ATOM 244 C ASP A 17 10.937 5.155 -25.295 1.00 41.15 C ATOM 245 O ASP A 17 10.013 5.876 -24.968 1.00 22.12 O ATOM 246 CB ASP A 17 11.280 3.515 -27.169 1.00 21.42 C ATOM 247 CG ASP A 17 10.898 2.124 -27.675 1.00 0.34 C ATOM 248 OD1 ASP A 17 10.662 1.259 -26.848 1.00 0.01 O ATOM 249 OD2 ASP A 17 10.846 1.947 -28.881 1.00 50.01 O ATOM 0 H ASP A 17 8.800 4.120 -26.696 1.00 43.34 H new ATOM 0 HA ASP A 17 11.116 3.048 -25.055 1.00 65.22 H new ATOM 0 HB2 ASP A 17 10.917 4.277 -27.859 1.00 21.42 H new ATOM 0 HB3 ASP A 17 12.365 3.613 -27.128 1.00 21.42 H new ATOM 254 N LEU A 18 12.163 5.580 -25.229 1.00 73.31 N ATOM 255 CA LEU A 18 12.402 6.957 -24.747 1.00 25.52 C ATOM 256 C LEU A 18 11.819 7.978 -25.725 1.00 63.54 C ATOM 257 O LEU A 18 11.448 9.068 -25.339 1.00 44.23 O ATOM 258 CB LEU A 18 13.926 7.113 -24.612 1.00 43.31 C ATOM 259 CG LEU A 18 14.346 7.465 -23.162 1.00 73.01 C ATOM 260 CD1 LEU A 18 15.322 8.645 -23.190 1.00 65.31 C ATOM 261 CD2 LEU A 18 13.155 7.889 -22.319 1.00 45.22 C ATOM 0 H LEU A 18 12.993 5.044 -25.483 1.00 73.31 H new ATOM 0 HA LEU A 18 11.913 7.134 -23.789 1.00 25.52 H new ATOM 0 HB2 LEU A 18 14.414 6.187 -24.916 1.00 43.31 H new ATOM 0 HB3 LEU A 18 14.272 7.893 -25.290 1.00 43.31 H new ATOM 0 HG LEU A 18 14.799 6.573 -22.729 1.00 73.01 H new ATOM 0 HD11 LEU A 18 15.620 8.895 -22.172 1.00 65.31 H new ATOM 0 HD12 LEU A 18 16.204 8.374 -23.770 1.00 65.31 H new ATOM 0 HD13 LEU A 18 14.838 9.507 -23.649 1.00 65.31 H new ATOM 0 HD21 LEU A 18 13.490 8.127 -21.310 1.00 45.22 H new ATOM 0 HD22 LEU A 18 12.689 8.768 -22.764 1.00 45.22 H new ATOM 0 HD23 LEU A 18 12.430 7.076 -22.278 1.00 45.22 H new ATOM 273 N LYS A 19 11.727 7.650 -26.986 1.00 71.34 N ATOM 274 CA LYS A 19 11.160 8.639 -27.943 1.00 42.32 C ATOM 275 C LYS A 19 9.751 9.016 -27.485 1.00 51.02 C ATOM 276 O LYS A 19 9.416 10.184 -27.366 1.00 43.52 O ATOM 277 CB LYS A 19 11.114 7.917 -29.290 1.00 30.11 C ATOM 278 CG LYS A 19 10.646 8.891 -30.374 1.00 71.51 C ATOM 279 CD LYS A 19 11.609 10.079 -30.445 1.00 14.24 C ATOM 280 CE LYS A 19 11.476 10.761 -31.809 1.00 12.43 C ATOM 281 NZ LYS A 19 12.177 9.854 -32.760 1.00 75.30 N ATOM 0 H LYS A 19 12.014 6.758 -27.388 1.00 71.34 H new ATOM 0 HA LYS A 19 11.747 9.555 -28.006 1.00 42.32 H new ATOM 0 HB2 LYS A 19 12.100 7.525 -29.539 1.00 30.11 H new ATOM 0 HB3 LYS A 19 10.437 7.064 -29.235 1.00 30.11 H new ATOM 0 HG2 LYS A 19 10.604 8.385 -31.339 1.00 71.51 H new ATOM 0 HG3 LYS A 19 9.637 9.240 -30.153 1.00 71.51 H new ATOM 0 HD2 LYS A 19 11.387 10.789 -29.648 1.00 14.24 H new ATOM 0 HD3 LYS A 19 12.634 9.740 -30.294 1.00 14.24 H new ATOM 0 HE2 LYS A 19 10.430 10.891 -32.085 1.00 12.43 H new ATOM 0 HE3 LYS A 19 11.929 11.752 -31.801 1.00 12.43 H new ATOM 0 HZ1 LYS A 19 12.848 10.404 -33.334 1.00 75.30 H new ATOM 0 HZ2 LYS A 19 12.693 9.125 -32.228 1.00 75.30 H new ATOM 0 HZ3 LYS A 19 11.480 9.399 -33.383 1.00 75.30 H new ATOM 295 N THR A 20 8.937 8.044 -27.167 1.00 44.35 N ATOM 296 CA THR A 20 7.577 8.373 -26.666 1.00 10.41 C ATOM 297 C THR A 20 7.726 8.987 -25.301 1.00 34.34 C ATOM 298 O THR A 20 7.168 10.020 -24.997 1.00 34.14 O ATOM 299 CB THR A 20 6.816 7.047 -26.529 1.00 31.40 C ATOM 300 OG1 THR A 20 6.264 6.692 -27.788 1.00 71.25 O ATOM 301 CG2 THR A 20 5.696 7.187 -25.495 1.00 1.34 C ATOM 0 H THR A 20 9.154 7.049 -27.232 1.00 44.35 H new ATOM 0 HA THR A 20 7.053 9.058 -27.333 1.00 10.41 H new ATOM 0 HB THR A 20 7.505 6.270 -26.198 1.00 31.40 H new ATOM 0 HG1 THR A 20 6.809 5.988 -28.198 1.00 71.25 H new ATOM 0 HG21 THR A 20 5.163 6.241 -25.406 1.00 1.34 H new ATOM 0 HG22 THR A 20 6.124 7.455 -24.529 1.00 1.34 H new ATOM 0 HG23 THR A 20 5.003 7.966 -25.813 1.00 1.34 H new ATOM 309 N ILE A 21 8.444 8.323 -24.455 1.00 73.13 N ATOM 310 CA ILE A 21 8.585 8.832 -23.100 1.00 24.13 C ATOM 311 C ILE A 21 9.022 10.290 -23.079 1.00 4.43 C ATOM 312 O ILE A 21 8.327 11.118 -22.542 1.00 23.13 O ATOM 313 CB ILE A 21 9.621 7.969 -22.479 1.00 4.13 C ATOM 314 CG1 ILE A 21 9.072 6.557 -22.352 1.00 14.14 C ATOM 315 CG2 ILE A 21 9.927 8.533 -21.101 1.00 24.30 C ATOM 316 CD1 ILE A 21 10.189 5.666 -21.861 1.00 24.33 C ATOM 0 H ILE A 21 8.935 7.451 -24.654 1.00 73.13 H new ATOM 0 HA ILE A 21 7.635 8.804 -22.566 1.00 24.13 H new ATOM 0 HB ILE A 21 10.528 7.944 -23.083 1.00 4.13 H new ATOM 0 HG12 ILE A 21 8.233 6.535 -21.657 1.00 14.14 H new ATOM 0 HG13 ILE A 21 8.698 6.205 -23.314 1.00 14.14 H new ATOM 0 HG21 ILE A 21 10.687 7.919 -20.617 1.00 24.30 H new ATOM 0 HG22 ILE A 21 10.294 9.555 -21.199 1.00 24.30 H new ATOM 0 HG23 ILE A 21 9.020 8.530 -20.497 1.00 24.30 H new ATOM 0 HD11 ILE A 21 9.822 4.645 -21.761 1.00 24.33 H new ATOM 0 HD12 ILE A 21 11.012 5.687 -22.575 1.00 24.33 H new ATOM 0 HD13 ILE A 21 10.540 6.022 -20.892 1.00 24.33 H new ATOM 328 N LYS A 22 10.156 10.647 -23.636 1.00 43.12 N ATOM 329 CA LYS A 22 10.502 12.085 -23.554 1.00 35.12 C ATOM 330 C LYS A 22 9.472 12.867 -24.295 1.00 74.21 C ATOM 331 O LYS A 22 9.055 13.893 -23.839 1.00 61.32 O ATOM 332 CB LYS A 22 11.866 12.340 -24.144 1.00 61.44 C ATOM 333 CG LYS A 22 12.384 13.615 -23.476 1.00 13.20 C ATOM 334 CD LYS A 22 13.901 13.623 -23.415 1.00 44.24 C ATOM 335 CE LYS A 22 14.364 14.265 -22.112 1.00 0.13 C ATOM 336 NZ LYS A 22 14.372 15.730 -22.374 1.00 35.24 N ATOM 0 H LYS A 22 10.818 10.038 -24.116 1.00 43.12 H new ATOM 0 HA LYS A 22 10.524 12.392 -22.508 1.00 35.12 H new ATOM 0 HB2 LYS A 22 12.536 11.501 -23.955 1.00 61.44 H new ATOM 0 HB3 LYS A 22 11.806 12.463 -25.225 1.00 61.44 H new ATOM 0 HG2 LYS A 22 12.035 14.487 -24.029 1.00 13.20 H new ATOM 0 HG3 LYS A 22 11.976 13.693 -22.468 1.00 13.20 H new ATOM 0 HD2 LYS A 22 14.282 12.604 -23.484 1.00 44.24 H new ATOM 0 HD3 LYS A 22 14.305 14.173 -24.265 1.00 44.24 H new ATOM 0 HE2 LYS A 22 13.692 14.016 -21.291 1.00 0.13 H new ATOM 0 HE3 LYS A 22 15.356 13.911 -21.830 1.00 0.13 H new ATOM 0 HZ1 LYS A 22 14.912 16.213 -21.628 1.00 35.24 H new ATOM 0 HZ2 LYS A 22 14.815 15.915 -23.297 1.00 35.24 H new ATOM 0 HZ3 LYS A 22 13.395 16.087 -22.381 1.00 35.24 H new ATOM 350 N THR A 23 8.979 12.391 -25.404 1.00 42.41 N ATOM 351 CA THR A 23 7.909 13.164 -26.033 1.00 31.51 C ATOM 352 C THR A 23 6.916 13.400 -24.904 1.00 32.33 C ATOM 353 O THR A 23 6.636 14.505 -24.528 1.00 50.11 O ATOM 354 CB THR A 23 7.336 12.255 -27.114 1.00 2.02 C ATOM 355 OG1 THR A 23 7.964 12.540 -28.357 1.00 21.33 O ATOM 356 CG2 THR A 23 5.844 12.510 -27.224 1.00 35.21 C ATOM 0 H THR A 23 9.265 11.533 -25.876 1.00 42.41 H new ATOM 0 HA THR A 23 8.199 14.112 -26.485 1.00 31.51 H new ATOM 0 HB THR A 23 7.515 11.211 -26.857 1.00 2.02 H new ATOM 0 HG1 THR A 23 8.658 11.871 -28.534 1.00 21.33 H new ATOM 0 HG21 THR A 23 5.421 11.866 -27.995 1.00 35.21 H new ATOM 0 HG22 THR A 23 5.367 12.294 -26.268 1.00 35.21 H new ATOM 0 HG23 THR A 23 5.672 13.553 -27.488 1.00 35.21 H new ATOM 364 N ALA A 24 6.478 12.335 -24.302 1.00 32.22 N ATOM 365 CA ALA A 24 5.566 12.448 -23.144 1.00 73.13 C ATOM 366 C ALA A 24 6.129 13.383 -22.079 1.00 53.11 C ATOM 367 O ALA A 24 5.526 14.370 -21.759 1.00 4.44 O ATOM 368 CB ALA A 24 5.558 11.054 -22.560 1.00 54.21 C ATOM 0 H ALA A 24 6.718 11.380 -24.569 1.00 32.22 H new ATOM 0 HA ALA A 24 4.591 12.831 -23.444 1.00 73.13 H new ATOM 0 HB1 ALA A 24 4.905 11.029 -21.687 1.00 54.21 H new ATOM 0 HB2 ALA A 24 5.193 10.349 -23.307 1.00 54.21 H new ATOM 0 HB3 ALA A 24 6.570 10.778 -22.264 1.00 54.21 H new ATOM 374 N TYR A 25 7.276 13.033 -21.524 1.00 11.32 N ATOM 375 CA TYR A 25 7.911 13.832 -20.418 1.00 41.34 C ATOM 376 C TYR A 25 8.412 15.193 -20.857 1.00 44.25 C ATOM 377 O TYR A 25 8.588 16.076 -20.057 1.00 24.31 O ATOM 378 CB TYR A 25 9.115 12.985 -19.943 1.00 1.31 C ATOM 379 CG TYR A 25 10.257 13.881 -19.485 1.00 71.24 C ATOM 380 CD1 TYR A 25 11.040 14.556 -20.424 1.00 52.24 C ATOM 381 CD2 TYR A 25 10.495 14.067 -18.122 1.00 63.24 C ATOM 382 CE1 TYR A 25 12.065 15.410 -19.991 1.00 42.41 C ATOM 383 CE2 TYR A 25 11.508 14.921 -17.686 1.00 52.42 C ATOM 384 CZ TYR A 25 12.296 15.594 -18.621 1.00 65.04 C ATOM 385 OH TYR A 25 13.299 16.440 -18.197 1.00 41.13 O ATOM 0 H TYR A 25 7.808 12.208 -21.800 1.00 11.32 H new ATOM 0 HA TYR A 25 7.169 14.027 -19.643 1.00 41.34 H new ATOM 0 HB2 TYR A 25 8.807 12.333 -19.125 1.00 1.31 H new ATOM 0 HB3 TYR A 25 9.455 12.340 -20.754 1.00 1.31 H new ATOM 0 HD1 TYR A 25 10.857 14.421 -21.480 1.00 52.24 H new ATOM 0 HD2 TYR A 25 9.888 13.544 -17.397 1.00 63.24 H new ATOM 0 HE1 TYR A 25 12.678 15.927 -20.715 1.00 42.41 H new ATOM 0 HE2 TYR A 25 11.682 15.061 -16.629 1.00 52.42 H new ATOM 0 HH TYR A 25 13.323 16.453 -17.217 1.00 41.13 H new ATOM 395 N ARG A 26 8.712 15.356 -22.078 1.00 21.23 N ATOM 396 CA ARG A 26 9.276 16.660 -22.497 1.00 43.31 C ATOM 397 C ARG A 26 8.159 17.670 -22.610 1.00 43.31 C ATOM 398 O ARG A 26 8.202 18.721 -22.005 1.00 25.53 O ATOM 399 CB ARG A 26 9.981 16.393 -23.812 1.00 54.21 C ATOM 400 CG ARG A 26 11.161 17.346 -23.930 1.00 3.13 C ATOM 401 CD ARG A 26 11.323 17.795 -25.384 1.00 62.43 C ATOM 402 NE ARG A 26 10.811 19.193 -25.417 1.00 34.20 N ATOM 403 CZ ARG A 26 10.019 19.574 -26.382 1.00 63.42 C ATOM 404 NH1 ARG A 26 8.930 18.901 -26.638 1.00 34.04 N ATOM 405 NH2 ARG A 26 10.315 20.628 -27.091 1.00 12.01 N ATOM 0 H ARG A 26 8.600 14.660 -22.815 1.00 21.23 H new ATOM 0 HA ARG A 26 9.985 17.080 -21.783 1.00 43.31 H new ATOM 0 HB2 ARG A 26 10.324 15.359 -23.855 1.00 54.21 H new ATOM 0 HB3 ARG A 26 9.294 16.536 -24.646 1.00 54.21 H new ATOM 0 HG2 ARG A 26 11.006 18.213 -23.288 1.00 3.13 H new ATOM 0 HG3 ARG A 26 12.072 16.855 -23.588 1.00 3.13 H new ATOM 0 HD2 ARG A 26 12.366 17.750 -25.697 1.00 62.43 H new ATOM 0 HD3 ARG A 26 10.759 17.152 -26.060 1.00 62.43 H new ATOM 0 HE ARG A 26 11.079 19.852 -24.686 1.00 34.20 H new ATOM 0 HH11 ARG A 26 8.698 18.077 -26.084 1.00 34.04 H new ATOM 0 HH12 ARG A 26 8.312 19.199 -27.392 1.00 34.04 H new ATOM 0 HH21 ARG A 26 11.165 21.155 -26.891 1.00 12.01 H new ATOM 0 HH22 ARG A 26 9.696 20.926 -27.845 1.00 12.01 H new ATOM 419 N ARG A 27 7.117 17.332 -23.296 1.00 72.53 N ATOM 420 CA ARG A 27 5.971 18.275 -23.325 1.00 23.11 C ATOM 421 C ARG A 27 5.413 18.221 -21.921 1.00 2.14 C ATOM 422 O ARG A 27 4.983 19.210 -21.373 1.00 62.20 O ATOM 423 CB ARG A 27 4.940 17.798 -24.369 1.00 60.00 C ATOM 424 CG ARG A 27 5.068 16.303 -24.609 1.00 45.24 C ATOM 425 CD ARG A 27 3.764 15.684 -25.111 1.00 32.25 C ATOM 426 NE ARG A 27 3.057 16.758 -25.868 1.00 1.11 N ATOM 427 CZ ARG A 27 2.784 16.593 -27.134 1.00 25.33 C ATOM 428 NH1 ARG A 27 2.269 15.468 -27.550 1.00 11.35 N ATOM 429 NH2 ARG A 27 3.024 17.554 -27.984 1.00 42.14 N ATOM 0 H ARG A 27 7.004 16.468 -23.827 1.00 72.53 H new ATOM 0 HA ARG A 27 6.246 19.291 -23.607 1.00 23.11 H new ATOM 0 HB2 ARG A 27 3.932 18.031 -24.024 1.00 60.00 H new ATOM 0 HB3 ARG A 27 5.089 18.335 -25.306 1.00 60.00 H new ATOM 0 HG2 ARG A 27 5.859 16.120 -25.337 1.00 45.24 H new ATOM 0 HG3 ARG A 27 5.368 15.813 -23.683 1.00 45.24 H new ATOM 0 HD2 ARG A 27 3.962 14.824 -25.750 1.00 32.25 H new ATOM 0 HD3 ARG A 27 3.156 15.330 -24.279 1.00 32.25 H new ATOM 0 HE ARG A 27 2.787 17.621 -25.396 1.00 1.11 H new ATOM 0 HH11 ARG A 27 2.080 14.717 -26.886 1.00 11.35 H new ATOM 0 HH12 ARG A 27 2.056 15.340 -28.539 1.00 11.35 H new ATOM 0 HH21 ARG A 27 3.425 18.434 -27.659 1.00 42.14 H new ATOM 0 HH22 ARG A 27 2.811 17.425 -28.973 1.00 42.14 H new ATOM 443 N LEU A 28 5.501 17.055 -21.314 1.00 23.01 N ATOM 444 CA LEU A 28 5.057 16.901 -19.910 1.00 22.02 C ATOM 445 C LEU A 28 5.862 17.813 -19.053 1.00 25.54 C ATOM 446 O LEU A 28 5.428 18.838 -18.628 1.00 44.34 O ATOM 447 CB LEU A 28 5.403 15.501 -19.501 1.00 25.51 C ATOM 448 CG LEU A 28 4.122 14.748 -19.311 1.00 33.42 C ATOM 449 CD1 LEU A 28 3.313 15.428 -18.236 1.00 71.34 C ATOM 450 CD2 LEU A 28 3.329 14.762 -20.580 1.00 2.05 C ATOM 0 H LEU A 28 5.866 16.205 -21.745 1.00 23.01 H new ATOM 0 HA LEU A 28 3.993 17.116 -19.811 1.00 22.02 H new ATOM 0 HB2 LEU A 28 6.018 15.022 -20.263 1.00 25.51 H new ATOM 0 HB3 LEU A 28 5.984 15.505 -18.579 1.00 25.51 H new ATOM 0 HG LEU A 28 4.348 13.719 -19.031 1.00 33.42 H new ATOM 0 HD11 LEU A 28 2.377 14.889 -18.089 1.00 71.34 H new ATOM 0 HD12 LEU A 28 3.879 15.435 -17.304 1.00 71.34 H new ATOM 0 HD13 LEU A 28 3.097 16.453 -18.537 1.00 71.34 H new ATOM 0 HD21 LEU A 28 2.399 14.213 -20.434 1.00 2.05 H new ATOM 0 HD22 LEU A 28 3.102 15.792 -20.856 1.00 2.05 H new ATOM 0 HD23 LEU A 28 3.907 14.292 -21.376 1.00 2.05 H new ATOM 462 N ALA A 29 7.071 17.437 -18.827 1.00 24.03 N ATOM 463 CA ALA A 29 7.944 18.266 -18.006 1.00 54.31 C ATOM 464 C ALA A 29 7.825 19.706 -18.480 1.00 63.44 C ATOM 465 O ALA A 29 8.028 20.641 -17.744 1.00 0.44 O ATOM 466 CB ALA A 29 9.313 17.739 -18.313 1.00 22.11 C ATOM 0 H ALA A 29 7.492 16.579 -19.183 1.00 24.03 H new ATOM 0 HA ALA A 29 7.711 18.240 -16.941 1.00 54.31 H new ATOM 0 HB1 ALA A 29 10.055 18.298 -17.742 1.00 22.11 H new ATOM 0 HB2 ALA A 29 9.366 16.685 -18.042 1.00 22.11 H new ATOM 0 HB3 ALA A 29 9.515 17.851 -19.378 1.00 22.11 H new ATOM 472 N ARG A 30 7.466 19.883 -19.718 1.00 52.25 N ATOM 473 CA ARG A 30 7.295 21.248 -20.244 1.00 51.13 C ATOM 474 C ARG A 30 5.961 21.786 -19.733 1.00 73.02 C ATOM 475 O ARG A 30 5.836 22.931 -19.345 1.00 12.40 O ATOM 476 CB ARG A 30 7.266 21.070 -21.753 1.00 24.45 C ATOM 477 CG ARG A 30 6.762 22.350 -22.413 1.00 44.00 C ATOM 478 CD ARG A 30 7.757 23.477 -22.143 1.00 25.00 C ATOM 479 NE ARG A 30 8.878 23.236 -23.095 1.00 4.43 N ATOM 480 CZ ARG A 30 9.124 24.093 -24.050 1.00 23.45 C ATOM 481 NH1 ARG A 30 8.139 24.626 -24.722 1.00 11.04 N ATOM 482 NH2 ARG A 30 10.356 24.415 -24.336 1.00 0.23 N ATOM 0 H ARG A 30 7.285 19.133 -20.385 1.00 52.25 H new ATOM 0 HA ARG A 30 8.077 21.944 -19.941 1.00 51.13 H new ATOM 0 HB2 ARG A 30 8.264 20.829 -22.120 1.00 24.45 H new ATOM 0 HB3 ARG A 30 6.619 20.234 -22.018 1.00 24.45 H new ATOM 0 HG2 ARG A 30 6.647 22.199 -23.486 1.00 44.00 H new ATOM 0 HG3 ARG A 30 5.780 22.614 -22.021 1.00 44.00 H new ATOM 0 HD2 ARG A 30 7.302 24.454 -22.308 1.00 25.00 H new ATOM 0 HD3 ARG A 30 8.105 23.458 -21.110 1.00 25.00 H new ATOM 0 HE ARG A 30 9.455 22.400 -23.001 1.00 4.43 H new ATOM 0 HH11 ARG A 30 7.176 24.373 -24.502 1.00 11.04 H new ATOM 0 HH12 ARG A 30 8.333 25.295 -25.467 1.00 11.04 H new ATOM 0 HH21 ARG A 30 11.127 23.998 -23.814 1.00 0.23 H new ATOM 0 HH22 ARG A 30 10.548 25.084 -25.082 1.00 0.23 H new ATOM 496 N LYS A 31 4.973 20.932 -19.696 1.00 64.41 N ATOM 497 CA LYS A 31 3.643 21.327 -19.173 1.00 21.22 C ATOM 498 C LYS A 31 3.613 21.000 -17.685 1.00 73.41 C ATOM 499 O LYS A 31 2.647 21.254 -16.992 1.00 45.33 O ATOM 500 CB LYS A 31 2.644 20.433 -19.941 1.00 3.10 C ATOM 501 CG LYS A 31 2.933 18.944 -19.644 1.00 21.35 C ATOM 502 CD LYS A 31 1.663 18.100 -19.540 1.00 43.13 C ATOM 503 CE LYS A 31 1.147 17.773 -20.933 1.00 42.33 C ATOM 504 NZ LYS A 31 -0.019 18.677 -21.138 1.00 64.54 N ATOM 0 H LYS A 31 5.037 19.964 -20.012 1.00 64.41 H new ATOM 0 HA LYS A 31 3.413 22.385 -19.299 1.00 21.22 H new ATOM 0 HB2 LYS A 31 1.623 20.679 -19.649 1.00 3.10 H new ATOM 0 HB3 LYS A 31 2.723 20.621 -21.012 1.00 3.10 H new ATOM 0 HG2 LYS A 31 3.569 18.539 -20.431 1.00 21.35 H new ATOM 0 HG3 LYS A 31 3.492 18.867 -18.711 1.00 21.35 H new ATOM 0 HD2 LYS A 31 1.870 17.180 -18.994 1.00 43.13 H new ATOM 0 HD3 LYS A 31 0.901 18.640 -18.977 1.00 43.13 H new ATOM 0 HE2 LYS A 31 1.915 17.943 -21.688 1.00 42.33 H new ATOM 0 HE3 LYS A 31 0.852 16.726 -21.008 1.00 42.33 H new ATOM 0 HZ1 LYS A 31 -0.428 18.508 -22.079 1.00 64.54 H new ATOM 0 HZ2 LYS A 31 -0.737 18.488 -20.410 1.00 64.54 H new ATOM 0 HZ3 LYS A 31 0.293 19.667 -21.068 1.00 64.54 H new ATOM 518 N TYR A 32 4.660 20.371 -17.206 1.00 44.51 N ATOM 519 CA TYR A 32 4.713 19.940 -15.794 1.00 13.02 C ATOM 520 C TYR A 32 5.823 20.641 -15.025 1.00 74.21 C ATOM 521 O TYR A 32 5.702 20.831 -13.831 1.00 14.22 O ATOM 522 CB TYR A 32 5.029 18.452 -15.865 1.00 13.10 C ATOM 523 CG TYR A 32 3.770 17.658 -15.996 1.00 24.52 C ATOM 524 CD1 TYR A 32 2.676 18.172 -16.681 1.00 12.13 C ATOM 525 CD2 TYR A 32 3.716 16.392 -15.439 1.00 63.53 C ATOM 526 CE1 TYR A 32 1.515 17.412 -16.816 1.00 10.51 C ATOM 527 CE2 TYR A 32 2.552 15.623 -15.563 1.00 50.12 C ATOM 528 CZ TYR A 32 1.449 16.133 -16.257 1.00 35.33 C ATOM 529 OH TYR A 32 0.302 15.376 -16.388 1.00 33.23 O ATOM 0 H TYR A 32 5.489 20.139 -17.753 1.00 44.51 H new ATOM 0 HA TYR A 32 3.780 20.172 -15.280 1.00 13.02 H new ATOM 0 HB2 TYR A 32 5.682 18.253 -16.714 1.00 13.10 H new ATOM 0 HB3 TYR A 32 5.568 18.145 -14.969 1.00 13.10 H new ATOM 0 HD1 TYR A 32 2.725 19.162 -17.110 1.00 12.13 H new ATOM 0 HD2 TYR A 32 4.571 15.998 -14.909 1.00 63.53 H new ATOM 0 HE1 TYR A 32 0.667 17.812 -17.352 1.00 10.51 H new ATOM 0 HE2 TYR A 32 2.506 14.638 -15.124 1.00 50.12 H new ATOM 0 HH TYR A 32 -0.310 15.815 -17.014 1.00 33.23 H new ATOM 539 N HIS A 33 6.922 21.013 -15.658 1.00 0.34 N ATOM 540 CA HIS A 33 7.989 21.673 -14.858 1.00 55.40 C ATOM 541 C HIS A 33 7.303 22.744 -14.034 1.00 71.11 C ATOM 542 O HIS A 33 6.712 23.646 -14.568 1.00 42.01 O ATOM 543 CB HIS A 33 9.027 22.270 -15.803 1.00 40.23 C ATOM 544 CG HIS A 33 10.156 22.690 -14.923 1.00 10.31 C ATOM 545 ND1 HIS A 33 10.082 23.852 -14.194 1.00 64.50 N ATOM 546 CD2 HIS A 33 11.284 22.042 -14.494 1.00 43.43 C ATOM 547 CE1 HIS A 33 11.115 23.862 -13.341 1.00 72.41 C ATOM 548 NE2 HIS A 33 11.891 22.785 -13.487 1.00 71.12 N ATOM 0 H HIS A 33 7.112 20.890 -16.653 1.00 0.34 H new ATOM 0 HA HIS A 33 8.511 20.975 -14.204 1.00 55.40 H new ATOM 0 HB2 HIS A 33 9.354 21.539 -16.542 1.00 40.23 H new ATOM 0 HB3 HIS A 33 8.619 23.118 -16.352 1.00 40.23 H new ATOM 0 HD2 HIS A 33 11.646 21.100 -14.878 1.00 43.43 H new ATOM 0 HE1 HIS A 33 11.298 24.647 -12.622 1.00 72.41 H new ATOM 0 HE2 HIS A 33 12.742 22.557 -12.973 1.00 71.12 H new ATOM 556 N PRO A 34 7.313 22.539 -12.761 1.00 31.40 N ATOM 557 CA PRO A 34 6.548 23.412 -11.855 1.00 12.42 C ATOM 558 C PRO A 34 6.838 24.905 -12.029 1.00 34.33 C ATOM 559 O PRO A 34 5.986 25.733 -11.775 1.00 73.32 O ATOM 560 CB PRO A 34 6.852 22.861 -10.482 1.00 4.31 C ATOM 561 CG PRO A 34 8.131 22.109 -10.649 1.00 11.55 C ATOM 562 CD PRO A 34 8.071 21.525 -12.032 1.00 63.41 C ATOM 0 HA PRO A 34 5.479 23.391 -12.067 1.00 12.42 H new ATOM 0 HB2 PRO A 34 6.956 23.661 -9.749 1.00 4.31 H new ATOM 0 HB3 PRO A 34 6.052 22.209 -10.131 1.00 4.31 H new ATOM 0 HG2 PRO A 34 8.992 22.768 -10.538 1.00 11.55 H new ATOM 0 HG3 PRO A 34 8.229 21.327 -9.896 1.00 11.55 H new ATOM 0 HD2 PRO A 34 9.065 21.377 -12.455 1.00 63.41 H new ATOM 0 HD3 PRO A 34 7.572 20.556 -12.044 1.00 63.41 H new ATOM 570 N ASP A 35 7.977 25.266 -12.523 1.00 33.24 N ATOM 571 CA ASP A 35 8.222 26.716 -12.777 1.00 54.43 C ATOM 572 C ASP A 35 7.261 27.135 -13.863 1.00 14.31 C ATOM 573 O ASP A 35 6.953 28.294 -14.057 1.00 43.23 O ATOM 574 CB ASP A 35 9.610 26.801 -13.385 1.00 74.02 C ATOM 575 CG ASP A 35 10.367 27.988 -12.791 1.00 23.12 C ATOM 576 OD1 ASP A 35 10.569 27.994 -11.588 1.00 25.33 O ATOM 577 OD2 ASP A 35 10.734 28.872 -13.548 1.00 73.43 O ATOM 0 H ASP A 35 8.744 24.638 -12.762 1.00 33.24 H new ATOM 0 HA ASP A 35 8.114 27.321 -11.877 1.00 54.43 H new ATOM 0 HB2 ASP A 35 10.157 25.878 -13.194 1.00 74.02 H new ATOM 0 HB3 ASP A 35 9.536 26.910 -14.467 1.00 74.02 H new ATOM 582 N VAL A 36 6.822 26.162 -14.592 1.00 22.44 N ATOM 583 CA VAL A 36 5.914 26.392 -15.712 1.00 61.50 C ATOM 584 C VAL A 36 5.186 25.088 -15.956 1.00 35.25 C ATOM 585 O VAL A 36 5.704 24.171 -16.563 1.00 51.31 O ATOM 586 CB VAL A 36 6.892 26.660 -16.858 1.00 44.20 C ATOM 587 CG1 VAL A 36 8.232 25.943 -16.590 1.00 22.25 C ATOM 588 CG2 VAL A 36 6.338 26.092 -18.139 1.00 61.02 C ATOM 0 H VAL A 36 7.070 25.184 -14.445 1.00 22.44 H new ATOM 0 HA VAL A 36 5.180 27.186 -15.577 1.00 61.50 H new ATOM 0 HB VAL A 36 7.039 27.737 -16.935 1.00 44.20 H new ATOM 0 HG11 VAL A 36 8.921 26.140 -17.411 1.00 22.25 H new ATOM 0 HG12 VAL A 36 8.662 26.312 -15.659 1.00 22.25 H new ATOM 0 HG13 VAL A 36 8.061 24.870 -16.510 1.00 22.25 H new ATOM 0 HG21 VAL A 36 7.036 26.284 -18.954 1.00 61.02 H new ATOM 0 HG22 VAL A 36 6.196 25.017 -18.029 1.00 61.02 H new ATOM 0 HG23 VAL A 36 5.381 26.564 -18.362 1.00 61.02 H new ATOM 598 N SER A 37 4.016 24.991 -15.481 1.00 31.42 N ATOM 599 CA SER A 37 3.273 23.739 -15.664 1.00 15.33 C ATOM 600 C SER A 37 1.778 23.959 -15.521 1.00 42.11 C ATOM 601 O SER A 37 1.350 24.713 -14.670 1.00 71.13 O ATOM 602 CB SER A 37 3.826 22.883 -14.564 1.00 65.35 C ATOM 603 OG SER A 37 3.027 23.043 -13.399 1.00 2.01 O ATOM 0 H SER A 37 3.526 25.724 -14.967 1.00 31.42 H new ATOM 0 HA SER A 37 3.387 23.295 -16.653 1.00 15.33 H new ATOM 0 HB2 SER A 37 3.836 21.837 -14.871 1.00 65.35 H new ATOM 0 HB3 SER A 37 4.858 23.163 -14.353 1.00 65.35 H new ATOM 0 HG SER A 37 3.461 23.676 -12.789 1.00 2.01 H new ATOM 609 N LYS A 38 0.959 23.300 -16.284 1.00 74.11 N ATOM 610 CA LYS A 38 -0.485 23.521 -16.055 1.00 75.02 C ATOM 611 C LYS A 38 -1.165 22.236 -15.593 1.00 62.21 C ATOM 612 O LYS A 38 -2.011 21.677 -16.263 1.00 60.21 O ATOM 613 CB LYS A 38 -1.054 24.005 -17.389 1.00 32.34 C ATOM 614 CG LYS A 38 -1.759 25.348 -17.188 1.00 73.11 C ATOM 615 CD LYS A 38 -0.769 26.358 -16.606 1.00 75.00 C ATOM 616 CE LYS A 38 -1.038 27.742 -17.202 1.00 3.13 C ATOM 617 NZ LYS A 38 -2.059 28.353 -16.307 1.00 65.33 N ATOM 0 H LYS A 38 1.212 22.646 -17.025 1.00 74.11 H new ATOM 0 HA LYS A 38 -0.657 24.255 -15.268 1.00 75.02 H new ATOM 0 HB2 LYS A 38 -0.253 24.109 -18.121 1.00 32.34 H new ATOM 0 HB3 LYS A 38 -1.755 23.270 -17.785 1.00 32.34 H new ATOM 0 HG2 LYS A 38 -2.151 25.712 -18.138 1.00 73.11 H new ATOM 0 HG3 LYS A 38 -2.610 25.228 -16.517 1.00 73.11 H new ATOM 0 HD2 LYS A 38 -0.865 26.393 -15.521 1.00 75.00 H new ATOM 0 HD3 LYS A 38 0.253 26.049 -16.825 1.00 75.00 H new ATOM 0 HE2 LYS A 38 -0.129 28.343 -17.232 1.00 3.13 H new ATOM 0 HE3 LYS A 38 -1.404 27.667 -18.226 1.00 3.13 H new ATOM 0 HZ1 LYS A 38 -2.296 29.306 -16.650 1.00 65.33 H new ATOM 0 HZ2 LYS A 38 -2.915 27.763 -16.304 1.00 65.33 H new ATOM 0 HZ3 LYS A 38 -1.680 28.418 -15.341 1.00 65.33 H new ATOM 631 N GLU A 39 -0.818 21.802 -14.418 1.00 1.02 N ATOM 632 CA GLU A 39 -1.442 20.592 -13.830 1.00 53.05 C ATOM 633 C GLU A 39 -1.687 20.842 -12.341 1.00 72.15 C ATOM 634 O GLU A 39 -1.047 21.688 -11.749 1.00 0.01 O ATOM 635 CB GLU A 39 -0.458 19.453 -14.083 1.00 35.20 C ATOM 636 CG GLU A 39 -0.651 18.970 -15.519 1.00 42.30 C ATOM 637 CD GLU A 39 -0.958 17.472 -15.522 1.00 53.34 C ATOM 638 OE1 GLU A 39 -0.656 16.825 -14.535 1.00 0.11 O ATOM 639 OE2 GLU A 39 -1.491 16.998 -16.512 1.00 73.41 O ATOM 0 H GLU A 39 -0.113 22.245 -13.829 1.00 1.02 H new ATOM 0 HA GLU A 39 -2.408 20.343 -14.269 1.00 53.05 H new ATOM 0 HB2 GLU A 39 0.566 19.794 -13.930 1.00 35.20 H new ATOM 0 HB3 GLU A 39 -0.631 18.638 -13.381 1.00 35.20 H new ATOM 0 HG2 GLU A 39 -1.466 19.519 -15.991 1.00 42.30 H new ATOM 0 HG3 GLU A 39 0.248 19.168 -16.103 1.00 42.30 H new ATOM 646 N PRO A 40 -2.608 20.116 -11.783 1.00 2.34 N ATOM 647 CA PRO A 40 -2.936 20.288 -10.344 1.00 51.45 C ATOM 648 C PRO A 40 -1.714 19.979 -9.479 1.00 15.14 C ATOM 649 O PRO A 40 -1.601 20.435 -8.358 1.00 31.10 O ATOM 650 CB PRO A 40 -4.063 19.283 -10.119 1.00 55.12 C ATOM 651 CG PRO A 40 -3.893 18.280 -11.212 1.00 63.42 C ATOM 652 CD PRO A 40 -3.408 19.060 -12.403 1.00 50.33 C ATOM 0 HA PRO A 40 -3.229 21.304 -10.078 1.00 51.45 H new ATOM 0 HB2 PRO A 40 -3.988 18.816 -9.137 1.00 55.12 H new ATOM 0 HB3 PRO A 40 -5.040 19.764 -10.170 1.00 55.12 H new ATOM 0 HG2 PRO A 40 -3.176 17.510 -10.929 1.00 63.42 H new ATOM 0 HG3 PRO A 40 -4.834 17.775 -11.431 1.00 63.42 H new ATOM 0 HD2 PRO A 40 -2.814 18.444 -13.078 1.00 50.33 H new ATOM 0 HD3 PRO A 40 -4.234 19.466 -12.987 1.00 50.33 H new ATOM 660 N ASP A 41 -0.796 19.217 -9.997 1.00 23.35 N ATOM 661 CA ASP A 41 0.430 18.886 -9.214 1.00 63.51 C ATOM 662 C ASP A 41 1.634 18.745 -10.149 1.00 51.03 C ATOM 663 O ASP A 41 2.555 18.009 -9.877 1.00 12.31 O ATOM 664 CB ASP A 41 0.118 17.553 -8.530 1.00 21.52 C ATOM 665 CG ASP A 41 0.119 17.738 -7.011 1.00 44.41 C ATOM 666 OD1 ASP A 41 0.266 18.865 -6.568 1.00 12.50 O ATOM 667 OD2 ASP A 41 -0.028 16.746 -6.314 1.00 74.13 O ATOM 0 H ASP A 41 -0.839 18.807 -10.930 1.00 23.35 H new ATOM 0 HA ASP A 41 0.681 19.663 -8.492 1.00 63.51 H new ATOM 0 HB2 ASP A 41 -0.853 17.183 -8.860 1.00 21.52 H new ATOM 0 HB3 ASP A 41 0.858 16.805 -8.815 1.00 21.52 H new ATOM 672 N ALA A 42 1.630 19.449 -11.245 1.00 53.42 N ATOM 673 CA ALA A 42 2.774 19.358 -12.205 1.00 13.34 C ATOM 674 C ALA A 42 4.099 19.382 -11.450 1.00 21.31 C ATOM 675 O ALA A 42 5.056 18.775 -11.862 1.00 13.11 O ATOM 676 CB ALA A 42 2.668 20.575 -13.117 1.00 4.31 C ATOM 0 H ALA A 42 0.884 20.087 -11.522 1.00 53.42 H new ATOM 0 HA ALA A 42 2.737 18.430 -12.776 1.00 13.34 H new ATOM 0 HB1 ALA A 42 3.483 20.559 -13.841 1.00 4.31 H new ATOM 0 HB2 ALA A 42 1.714 20.553 -13.644 1.00 4.31 H new ATOM 0 HB3 ALA A 42 2.732 21.484 -12.519 1.00 4.31 H new ATOM 682 N GLU A 43 4.178 20.046 -10.332 1.00 10.22 N ATOM 683 CA GLU A 43 5.469 20.012 -9.598 1.00 54.12 C ATOM 684 C GLU A 43 5.711 18.552 -9.246 1.00 20.32 C ATOM 685 O GLU A 43 6.767 17.994 -9.479 1.00 23.22 O ATOM 686 CB GLU A 43 5.278 20.881 -8.346 1.00 34.23 C ATOM 687 CG GLU A 43 4.121 20.344 -7.502 1.00 31.22 C ATOM 688 CD GLU A 43 3.742 21.376 -6.437 1.00 15.23 C ATOM 689 OE1 GLU A 43 4.042 22.541 -6.636 1.00 3.51 O ATOM 690 OE2 GLU A 43 3.159 20.982 -5.441 1.00 72.24 O ATOM 0 H GLU A 43 3.430 20.594 -9.906 1.00 10.22 H new ATOM 0 HA GLU A 43 6.321 20.391 -10.162 1.00 54.12 H new ATOM 0 HB2 GLU A 43 6.195 20.889 -7.756 1.00 34.23 H new ATOM 0 HB3 GLU A 43 5.077 21.912 -8.637 1.00 34.23 H new ATOM 0 HG2 GLU A 43 3.262 20.130 -8.138 1.00 31.22 H new ATOM 0 HG3 GLU A 43 4.408 19.405 -7.028 1.00 31.22 H new ATOM 697 N ALA A 44 4.689 17.918 -8.755 1.00 34.21 N ATOM 698 CA ALA A 44 4.769 16.477 -8.436 1.00 74.11 C ATOM 699 C ALA A 44 4.705 15.701 -9.727 1.00 51.32 C ATOM 700 O ALA A 44 5.548 14.887 -10.039 1.00 24.01 O ATOM 701 CB ALA A 44 3.496 16.210 -7.668 1.00 41.13 C ATOM 0 H ALA A 44 3.786 18.349 -8.559 1.00 34.21 H new ATOM 0 HA ALA A 44 5.674 16.204 -7.893 1.00 74.11 H new ATOM 0 HB1 ALA A 44 3.457 15.159 -7.382 1.00 41.13 H new ATOM 0 HB2 ALA A 44 3.474 16.831 -6.772 1.00 41.13 H new ATOM 0 HB3 ALA A 44 2.636 16.447 -8.295 1.00 41.13 H new ATOM 707 N ARG A 45 3.683 15.969 -10.481 1.00 31.24 N ATOM 708 CA ARG A 45 3.509 15.284 -11.768 1.00 4.21 C ATOM 709 C ARG A 45 4.813 15.399 -12.554 1.00 63.21 C ATOM 710 O ARG A 45 5.389 14.415 -12.965 1.00 32.35 O ATOM 711 CB ARG A 45 2.369 16.043 -12.451 1.00 65.01 C ATOM 712 CG ARG A 45 1.104 15.178 -12.515 1.00 1.25 C ATOM 713 CD ARG A 45 1.455 13.745 -12.923 1.00 72.41 C ATOM 714 NE ARG A 45 0.270 13.266 -13.688 1.00 23.34 N ATOM 715 CZ ARG A 45 -0.880 13.121 -13.087 1.00 44.23 C ATOM 716 NH1 ARG A 45 -0.925 12.687 -11.857 1.00 71.30 N ATOM 717 NH2 ARG A 45 -1.986 13.413 -13.715 1.00 33.45 N ATOM 0 H ARG A 45 2.954 16.645 -10.250 1.00 31.24 H new ATOM 0 HA ARG A 45 3.276 14.223 -11.682 1.00 4.21 H new ATOM 0 HB2 ARG A 45 2.159 16.963 -11.905 1.00 65.01 H new ATOM 0 HB3 ARG A 45 2.670 16.332 -13.458 1.00 65.01 H new ATOM 0 HG2 ARG A 45 0.609 15.175 -11.544 1.00 1.25 H new ATOM 0 HG3 ARG A 45 0.401 15.604 -13.230 1.00 1.25 H new ATOM 0 HD2 ARG A 45 2.358 13.717 -13.534 1.00 72.41 H new ATOM 0 HD3 ARG A 45 1.641 13.120 -12.050 1.00 72.41 H new ATOM 0 HE ARG A 45 0.357 13.051 -14.681 1.00 23.34 H new ATOM 0 HH11 ARG A 45 -0.061 12.461 -11.364 1.00 71.30 H new ATOM 0 HH12 ARG A 45 -1.824 12.574 -11.389 1.00 71.30 H new ATOM 0 HH21 ARG A 45 -1.952 13.755 -14.676 1.00 33.45 H new ATOM 0 HH22 ARG A 45 -2.884 13.300 -13.245 1.00 33.45 H new ATOM 731 N PHE A 46 5.312 16.594 -12.733 1.00 22.25 N ATOM 732 CA PHE A 46 6.602 16.733 -13.457 1.00 70.34 C ATOM 733 C PHE A 46 7.601 15.825 -12.793 1.00 44.40 C ATOM 734 O PHE A 46 8.155 14.941 -13.404 1.00 23.42 O ATOM 735 CB PHE A 46 7.087 18.163 -13.268 1.00 15.34 C ATOM 736 CG PHE A 46 8.482 18.257 -13.839 1.00 42.12 C ATOM 737 CD1 PHE A 46 8.820 17.550 -15.004 1.00 21.34 C ATOM 738 CD2 PHE A 46 9.443 19.029 -13.190 1.00 54.03 C ATOM 739 CE1 PHE A 46 10.124 17.631 -15.510 1.00 13.00 C ATOM 740 CE2 PHE A 46 10.742 19.112 -13.696 1.00 63.40 C ATOM 741 CZ PHE A 46 11.084 18.413 -14.858 1.00 43.22 C ATOM 0 H PHE A 46 4.888 17.465 -12.414 1.00 22.25 H new ATOM 0 HA PHE A 46 6.487 16.490 -14.513 1.00 70.34 H new ATOM 0 HB2 PHE A 46 6.420 18.862 -13.772 1.00 15.34 H new ATOM 0 HB3 PHE A 46 7.088 18.429 -12.211 1.00 15.34 H new ATOM 0 HD1 PHE A 46 8.079 16.947 -15.507 1.00 21.34 H new ATOM 0 HD2 PHE A 46 9.182 19.566 -12.290 1.00 54.03 H new ATOM 0 HE1 PHE A 46 10.389 17.089 -16.406 1.00 13.00 H new ATOM 0 HE2 PHE A 46 11.482 19.715 -13.191 1.00 63.40 H new ATOM 0 HZ PHE A 46 12.088 18.477 -15.252 1.00 43.22 H new ATOM 751 N LYS A 47 7.832 16.024 -11.525 1.00 25.04 N ATOM 752 CA LYS A 47 8.789 15.136 -10.853 1.00 74.44 C ATOM 753 C LYS A 47 8.365 13.711 -11.152 1.00 33.51 C ATOM 754 O LYS A 47 9.186 12.841 -11.342 1.00 14.50 O ATOM 755 CB LYS A 47 8.699 15.443 -9.368 1.00 64.35 C ATOM 756 CG LYS A 47 9.420 16.761 -9.082 1.00 3.22 C ATOM 757 CD LYS A 47 10.309 16.599 -7.850 1.00 74.04 C ATOM 758 CE LYS A 47 10.308 17.900 -7.045 1.00 72.51 C ATOM 759 NZ LYS A 47 9.506 17.597 -5.827 1.00 53.23 N ATOM 0 H LYS A 47 7.406 16.748 -10.946 1.00 25.04 H new ATOM 0 HA LYS A 47 9.817 15.274 -11.188 1.00 74.44 H new ATOM 0 HB2 LYS A 47 7.655 15.512 -9.061 1.00 64.35 H new ATOM 0 HB3 LYS A 47 9.149 14.636 -8.790 1.00 64.35 H new ATOM 0 HG2 LYS A 47 10.022 17.052 -9.942 1.00 3.22 H new ATOM 0 HG3 LYS A 47 8.694 17.557 -8.917 1.00 3.22 H new ATOM 0 HD2 LYS A 47 9.947 15.777 -7.233 1.00 74.04 H new ATOM 0 HD3 LYS A 47 11.325 16.347 -8.152 1.00 74.04 H new ATOM 0 HE2 LYS A 47 11.322 18.204 -6.785 1.00 72.51 H new ATOM 0 HE3 LYS A 47 9.866 18.717 -7.615 1.00 72.51 H new ATOM 0 HZ1 LYS A 47 9.459 18.442 -5.223 1.00 53.23 H new ATOM 0 HZ2 LYS A 47 8.544 17.317 -6.106 1.00 53.23 H new ATOM 0 HZ3 LYS A 47 9.954 16.820 -5.301 1.00 53.23 H new ATOM 773 N GLU A 48 7.074 13.477 -11.255 1.00 64.34 N ATOM 774 CA GLU A 48 6.607 12.136 -11.611 1.00 41.44 C ATOM 775 C GLU A 48 7.095 11.863 -13.012 1.00 54.55 C ATOM 776 O GLU A 48 7.536 10.780 -13.338 1.00 72.01 O ATOM 777 CB GLU A 48 5.091 12.211 -11.578 1.00 64.21 C ATOM 778 CG GLU A 48 4.600 11.338 -10.459 1.00 12.24 C ATOM 779 CD GLU A 48 3.341 11.943 -9.835 1.00 33.20 C ATOM 780 OE1 GLU A 48 3.411 13.078 -9.393 1.00 53.43 O ATOM 781 OE2 GLU A 48 2.329 11.263 -9.810 1.00 62.42 O ATOM 0 H GLU A 48 6.340 14.169 -11.104 1.00 64.34 H new ATOM 0 HA GLU A 48 6.964 11.350 -10.946 1.00 41.44 H new ATOM 0 HB2 GLU A 48 4.765 13.240 -11.428 1.00 64.21 H new ATOM 0 HB3 GLU A 48 4.674 11.880 -12.529 1.00 64.21 H new ATOM 0 HG2 GLU A 48 4.384 10.338 -10.835 1.00 12.24 H new ATOM 0 HG3 GLU A 48 5.377 11.233 -9.701 1.00 12.24 H new ATOM 788 N VAL A 49 7.042 12.852 -13.849 1.00 34.42 N ATOM 789 CA VAL A 49 7.541 12.641 -15.216 1.00 70.03 C ATOM 790 C VAL A 49 9.001 12.510 -15.154 1.00 62.23 C ATOM 791 O VAL A 49 9.558 11.536 -15.505 1.00 64.53 O ATOM 792 CB VAL A 49 7.267 13.890 -15.984 1.00 52.44 C ATOM 793 CG1 VAL A 49 7.676 13.641 -17.404 1.00 21.14 C ATOM 794 CG2 VAL A 49 5.813 14.189 -15.914 1.00 74.12 C ATOM 0 H VAL A 49 6.679 13.783 -13.645 1.00 34.42 H new ATOM 0 HA VAL A 49 7.076 11.764 -15.666 1.00 70.03 H new ATOM 0 HB VAL A 49 7.818 14.738 -15.577 1.00 52.44 H new ATOM 0 HG11 VAL A 49 7.490 14.535 -17.998 1.00 21.14 H new ATOM 0 HG12 VAL A 49 8.738 13.396 -17.439 1.00 21.14 H new ATOM 0 HG13 VAL A 49 7.098 12.810 -17.809 1.00 21.14 H new ATOM 0 HG21 VAL A 49 5.602 15.101 -16.473 1.00 74.12 H new ATOM 0 HG22 VAL A 49 5.250 13.361 -16.345 1.00 74.12 H new ATOM 0 HG23 VAL A 49 5.519 14.325 -14.873 1.00 74.12 H new ATOM 804 N ALA A 50 9.618 13.505 -14.677 1.00 22.31 N ATOM 805 CA ALA A 50 11.061 13.469 -14.563 1.00 20.04 C ATOM 806 C ALA A 50 11.466 12.146 -13.928 1.00 24.41 C ATOM 807 O ALA A 50 12.259 11.426 -14.479 1.00 33.41 O ATOM 808 CB ALA A 50 11.302 14.642 -13.680 1.00 62.23 C ATOM 0 H ALA A 50 9.176 14.365 -14.352 1.00 22.31 H new ATOM 0 HA ALA A 50 11.628 13.525 -15.492 1.00 20.04 H new ATOM 0 HB1 ALA A 50 12.372 14.747 -13.499 1.00 62.23 H new ATOM 0 HB2 ALA A 50 10.925 15.544 -14.162 1.00 62.23 H new ATOM 0 HB3 ALA A 50 10.786 14.495 -12.731 1.00 62.23 H new ATOM 814 N GLU A 51 10.879 11.776 -12.819 1.00 34.00 N ATOM 815 CA GLU A 51 11.220 10.449 -12.245 1.00 73.11 C ATOM 816 C GLU A 51 10.761 9.393 -13.221 1.00 20.14 C ATOM 817 O GLU A 51 11.486 8.470 -13.519 1.00 5.31 O ATOM 818 CB GLU A 51 10.486 10.333 -10.926 1.00 72.13 C ATOM 819 CG GLU A 51 9.013 10.074 -11.153 1.00 62.12 C ATOM 820 CD GLU A 51 8.335 9.814 -9.806 1.00 55.33 C ATOM 821 OE1 GLU A 51 7.926 10.774 -9.174 1.00 10.43 O ATOM 822 OE2 GLU A 51 8.243 8.659 -9.423 1.00 21.11 O ATOM 0 H GLU A 51 10.194 12.324 -12.299 1.00 34.00 H new ATOM 0 HA GLU A 51 12.290 10.326 -12.075 1.00 73.11 H new ATOM 0 HB2 GLU A 51 10.916 9.524 -10.335 1.00 72.13 H new ATOM 0 HB3 GLU A 51 10.614 11.250 -10.351 1.00 72.13 H new ATOM 0 HG2 GLU A 51 8.553 10.930 -11.646 1.00 62.12 H new ATOM 0 HG3 GLU A 51 8.880 9.216 -11.812 1.00 62.12 H new ATOM 829 N ALA A 52 9.593 9.551 -13.791 1.00 22.32 N ATOM 830 CA ALA A 52 9.182 8.569 -14.815 1.00 70.41 C ATOM 831 C ALA A 52 10.244 8.663 -15.860 1.00 63.21 C ATOM 832 O ALA A 52 10.938 7.774 -16.260 1.00 61.03 O ATOM 833 CB ALA A 52 7.907 9.118 -15.421 1.00 44.25 C ATOM 0 H ALA A 52 8.928 10.299 -13.593 1.00 22.32 H new ATOM 0 HA ALA A 52 9.045 7.556 -14.437 1.00 70.41 H new ATOM 0 HB1 ALA A 52 7.547 8.436 -16.191 1.00 44.25 H new ATOM 0 HB2 ALA A 52 7.150 9.221 -14.644 1.00 44.25 H new ATOM 0 HB3 ALA A 52 8.106 10.093 -15.865 1.00 44.25 H new ATOM 839 N TRP A 53 10.374 9.782 -16.279 1.00 11.02 N ATOM 840 CA TRP A 53 11.363 10.074 -17.255 1.00 4.10 C ATOM 841 C TRP A 53 12.713 9.507 -16.806 1.00 5.44 C ATOM 842 O TRP A 53 13.480 9.059 -17.619 1.00 15.11 O ATOM 843 CB TRP A 53 11.311 11.560 -17.304 1.00 54.33 C ATOM 844 CG TRP A 53 12.349 11.961 -18.212 1.00 31.14 C ATOM 845 CD1 TRP A 53 13.338 12.806 -17.958 1.00 33.00 C ATOM 846 CD2 TRP A 53 12.522 11.472 -19.518 1.00 53.43 C ATOM 847 NE1 TRP A 53 14.161 12.852 -19.066 1.00 64.24 N ATOM 848 CE2 TRP A 53 13.675 12.030 -20.064 1.00 61.13 C ATOM 849 CE3 TRP A 53 11.772 10.588 -20.268 1.00 62.50 C ATOM 850 CZ2 TRP A 53 14.077 11.700 -21.333 1.00 20.13 C ATOM 851 CZ3 TRP A 53 12.154 10.259 -21.530 1.00 15.33 C ATOM 852 CH2 TRP A 53 13.317 10.807 -22.081 1.00 73.54 C ATOM 0 H TRP A 53 9.812 10.580 -15.983 1.00 11.02 H new ATOM 0 HA TRP A 53 11.207 9.634 -18.240 1.00 4.10 H new ATOM 0 HB2 TRP A 53 10.336 11.905 -17.648 1.00 54.33 H new ATOM 0 HB3 TRP A 53 11.470 11.989 -16.315 1.00 54.33 H new ATOM 0 HD1 TRP A 53 13.476 13.362 -17.043 1.00 33.00 H new ATOM 0 HE1 TRP A 53 15.009 13.414 -19.137 1.00 64.24 H new ATOM 0 HE3 TRP A 53 10.876 10.155 -19.849 1.00 62.50 H new ATOM 0 HZ2 TRP A 53 14.976 12.130 -21.748 1.00 20.13 H new ATOM 0 HZ3 TRP A 53 11.557 9.571 -22.110 1.00 15.33 H new ATOM 0 HH2 TRP A 53 13.623 10.538 -23.081 1.00 73.54 H new ATOM 863 N GLU A 54 12.998 9.423 -15.523 1.00 35.01 N ATOM 864 CA GLU A 54 14.283 8.764 -15.172 1.00 41.54 C ATOM 865 C GLU A 54 14.118 7.362 -15.676 1.00 2.32 C ATOM 866 O GLU A 54 14.682 6.958 -16.654 1.00 3.44 O ATOM 867 CB GLU A 54 14.371 8.679 -13.643 1.00 54.05 C ATOM 868 CG GLU A 54 14.434 10.053 -13.020 1.00 52.43 C ATOM 869 CD GLU A 54 15.882 10.544 -12.997 1.00 61.22 C ATOM 870 OE1 GLU A 54 16.347 11.007 -14.026 1.00 62.35 O ATOM 871 OE2 GLU A 54 16.503 10.447 -11.951 1.00 2.33 O ATOM 0 H GLU A 54 12.428 9.764 -14.749 1.00 35.01 H new ATOM 0 HA GLU A 54 15.153 9.283 -15.574 1.00 41.54 H new ATOM 0 HB2 GLU A 54 13.505 8.141 -13.256 1.00 54.05 H new ATOM 0 HB3 GLU A 54 15.255 8.108 -13.359 1.00 54.05 H new ATOM 0 HG2 GLU A 54 13.813 10.748 -13.586 1.00 52.43 H new ATOM 0 HG3 GLU A 54 14.035 10.022 -12.006 1.00 52.43 H new ATOM 878 N VAL A 55 13.228 6.670 -15.041 1.00 10.52 N ATOM 879 CA VAL A 55 12.877 5.300 -15.450 1.00 74.11 C ATOM 880 C VAL A 55 12.735 5.200 -16.907 1.00 14.32 C ATOM 881 O VAL A 55 13.439 4.491 -17.559 1.00 61.40 O ATOM 882 CB VAL A 55 11.527 5.014 -14.802 1.00 53.32 C ATOM 883 CG1 VAL A 55 11.719 4.428 -13.436 1.00 50.21 C ATOM 884 CG2 VAL A 55 10.736 6.246 -14.632 1.00 54.35 C ATOM 0 H VAL A 55 12.714 7.012 -14.229 1.00 10.52 H new ATOM 0 HA VAL A 55 13.653 4.596 -15.148 1.00 74.11 H new ATOM 0 HB VAL A 55 11.004 4.321 -15.461 1.00 53.32 H new ATOM 0 HG11 VAL A 55 10.747 4.229 -12.985 1.00 50.21 H new ATOM 0 HG12 VAL A 55 12.280 3.497 -13.515 1.00 50.21 H new ATOM 0 HG13 VAL A 55 12.271 5.132 -12.812 1.00 50.21 H new ATOM 0 HG21 VAL A 55 9.780 6.004 -14.167 1.00 54.35 H new ATOM 0 HG22 VAL A 55 11.282 6.944 -13.997 1.00 54.35 H new ATOM 0 HG23 VAL A 55 10.560 6.703 -15.606 1.00 54.35 H new ATOM 894 N LEU A 56 11.850 5.914 -17.413 1.00 4.44 N ATOM 895 CA LEU A 56 11.619 5.852 -18.839 1.00 43.02 C ATOM 896 C LEU A 56 12.887 6.218 -19.597 1.00 63.52 C ATOM 897 O LEU A 56 13.231 5.612 -20.592 1.00 54.02 O ATOM 898 CB LEU A 56 10.482 6.818 -19.047 1.00 32.10 C ATOM 899 CG LEU A 56 9.416 6.627 -17.979 1.00 31.43 C ATOM 900 CD1 LEU A 56 8.118 7.142 -18.474 1.00 23.23 C ATOM 901 CD2 LEU A 56 9.289 5.173 -17.618 1.00 3.53 C ATOM 0 H LEU A 56 11.252 6.561 -16.899 1.00 4.44 H new ATOM 0 HA LEU A 56 11.364 4.861 -19.214 1.00 43.02 H new ATOM 0 HB2 LEU A 56 10.857 7.841 -19.016 1.00 32.10 H new ATOM 0 HB3 LEU A 56 10.046 6.668 -20.035 1.00 32.10 H new ATOM 0 HG LEU A 56 9.707 7.181 -17.086 1.00 31.43 H new ATOM 0 HD11 LEU A 56 7.356 7.004 -17.707 1.00 23.23 H new ATOM 0 HD12 LEU A 56 8.212 8.203 -18.706 1.00 23.23 H new ATOM 0 HD13 LEU A 56 7.830 6.598 -19.374 1.00 23.23 H new ATOM 0 HD21 LEU A 56 8.522 5.054 -16.853 1.00 3.53 H new ATOM 0 HD22 LEU A 56 9.010 4.601 -18.503 1.00 3.53 H new ATOM 0 HD23 LEU A 56 10.243 4.808 -17.236 1.00 3.53 H new ATOM 913 N SER A 57 13.602 7.176 -19.107 1.00 3.11 N ATOM 914 CA SER A 57 14.889 7.561 -19.779 1.00 41.04 C ATOM 915 C SER A 57 16.058 6.794 -19.151 1.00 61.25 C ATOM 916 O SER A 57 17.211 7.061 -19.426 1.00 73.14 O ATOM 917 CB SER A 57 15.053 9.066 -19.564 1.00 32.22 C ATOM 918 OG SER A 57 15.691 9.295 -18.314 1.00 74.01 O ATOM 0 H SER A 57 13.365 7.716 -18.275 1.00 3.11 H new ATOM 0 HA SER A 57 14.875 7.319 -20.842 1.00 41.04 H new ATOM 0 HB2 SER A 57 15.644 9.498 -20.372 1.00 32.22 H new ATOM 0 HB3 SER A 57 14.080 9.556 -19.584 1.00 32.22 H new ATOM 0 HG SER A 57 15.205 8.822 -17.607 1.00 74.01 H new ATOM 924 N ASP A 58 15.763 5.837 -18.315 1.00 61.41 N ATOM 925 CA ASP A 58 16.841 5.038 -17.669 1.00 52.10 C ATOM 926 C ASP A 58 16.669 3.576 -18.037 1.00 20.32 C ATOM 927 O ASP A 58 15.745 2.929 -17.584 1.00 1.31 O ATOM 928 CB ASP A 58 16.649 5.180 -16.153 1.00 21.25 C ATOM 929 CG ASP A 58 18.000 5.438 -15.484 1.00 54.12 C ATOM 930 OD1 ASP A 58 18.550 6.507 -15.697 1.00 62.24 O ATOM 931 OD2 ASP A 58 18.461 4.564 -14.769 1.00 45.43 O ATOM 0 H ASP A 58 14.814 5.573 -18.050 1.00 61.41 H new ATOM 0 HA ASP A 58 17.826 5.380 -17.988 1.00 52.10 H new ATOM 0 HB2 ASP A 58 15.964 6.000 -15.939 1.00 21.25 H new ATOM 0 HB3 ASP A 58 16.199 4.274 -15.747 1.00 21.25 H new ATOM 936 N GLU A 59 17.543 3.029 -18.827 1.00 21.02 N ATOM 937 CA GLU A 59 17.391 1.594 -19.163 1.00 71.15 C ATOM 938 C GLU A 59 17.145 0.829 -17.864 1.00 44.43 C ATOM 939 O GLU A 59 16.389 -0.123 -17.818 1.00 14.14 O ATOM 940 CB GLU A 59 18.717 1.186 -19.805 1.00 71.11 C ATOM 941 CG GLU A 59 18.554 1.158 -21.327 1.00 50.34 C ATOM 942 CD GLU A 59 19.902 0.853 -21.984 1.00 54.23 C ATOM 943 OE1 GLU A 59 20.916 1.162 -21.381 1.00 4.53 O ATOM 944 OE2 GLU A 59 19.896 0.318 -23.080 1.00 40.11 O ATOM 0 H GLU A 59 18.342 3.503 -19.248 1.00 21.02 H new ATOM 0 HA GLU A 59 16.560 1.388 -19.838 1.00 71.15 H new ATOM 0 HB2 GLU A 59 19.502 1.889 -19.525 1.00 71.11 H new ATOM 0 HB3 GLU A 59 19.023 0.205 -19.442 1.00 71.11 H new ATOM 0 HG2 GLU A 59 17.821 0.402 -21.610 1.00 50.34 H new ATOM 0 HG3 GLU A 59 18.175 2.117 -21.680 1.00 50.34 H new ATOM 951 N GLN A 60 17.753 1.273 -16.791 1.00 70.24 N ATOM 952 CA GLN A 60 17.539 0.597 -15.488 1.00 72.12 C ATOM 953 C GLN A 60 16.244 1.093 -14.852 1.00 21.14 C ATOM 954 O GLN A 60 15.322 0.330 -14.664 1.00 23.54 O ATOM 955 CB GLN A 60 18.747 0.954 -14.629 1.00 42.11 C ATOM 956 CG GLN A 60 19.313 -0.332 -14.026 1.00 62.34 C ATOM 957 CD GLN A 60 19.703 -0.087 -12.567 1.00 5.23 C ATOM 958 OE1 GLN A 60 20.818 -0.362 -12.170 1.00 61.53 O ATOM 959 NE2 GLN A 60 18.825 0.421 -11.747 1.00 43.34 N ATOM 0 H GLN A 60 18.385 2.073 -16.768 1.00 70.24 H new ATOM 0 HA GLN A 60 17.446 -0.484 -15.597 1.00 72.12 H new ATOM 0 HB2 GLN A 60 19.505 1.455 -15.231 1.00 42.11 H new ATOM 0 HB3 GLN A 60 18.458 1.647 -13.839 1.00 42.11 H new ATOM 0 HG2 GLN A 60 18.573 -1.130 -14.086 1.00 62.34 H new ATOM 0 HG3 GLN A 60 20.183 -0.660 -14.595 1.00 62.34 H new ATOM 0 HE21 GLN A 60 17.889 0.652 -12.081 1.00 43.34 H new ATOM 0 HE22 GLN A 60 19.074 0.588 -10.772 1.00 43.34 H new ATOM 968 N ARG A 61 16.132 2.352 -14.515 1.00 1.03 N ATOM 969 CA ARG A 61 14.843 2.772 -13.911 1.00 24.12 C ATOM 970 C ARG A 61 13.707 2.319 -14.834 1.00 72.40 C ATOM 971 O ARG A 61 12.803 1.679 -14.383 1.00 51.21 O ATOM 972 CB ARG A 61 14.836 4.296 -13.722 1.00 24.42 C ATOM 973 CG ARG A 61 15.895 4.753 -12.765 1.00 2.32 C ATOM 974 CD ARG A 61 15.799 3.960 -11.468 1.00 44.32 C ATOM 975 NE ARG A 61 17.146 3.352 -11.283 1.00 53.33 N ATOM 976 CZ ARG A 61 18.093 4.028 -10.692 1.00 54.42 C ATOM 977 NH1 ARG A 61 18.216 3.979 -9.393 1.00 75.13 N ATOM 978 NH2 ARG A 61 18.916 4.752 -11.399 1.00 75.23 N ATOM 0 H ARG A 61 16.843 3.075 -14.626 1.00 1.03 H new ATOM 0 HA ARG A 61 14.708 2.315 -12.931 1.00 24.12 H new ATOM 0 HB2 ARG A 61 14.987 4.781 -14.687 1.00 24.42 H new ATOM 0 HB3 ARG A 61 13.858 4.611 -13.357 1.00 24.42 H new ATOM 0 HG2 ARG A 61 16.881 4.621 -13.210 1.00 2.32 H new ATOM 0 HG3 ARG A 61 15.778 5.817 -12.560 1.00 2.32 H new ATOM 0 HD2 ARG A 61 15.540 4.606 -10.629 1.00 44.32 H new ATOM 0 HD3 ARG A 61 15.026 3.194 -11.531 1.00 44.32 H new ATOM 0 HE ARG A 61 17.329 2.406 -11.619 1.00 53.33 H new ATOM 0 HH11 ARG A 61 17.572 3.413 -8.841 1.00 75.13 H new ATOM 0 HH12 ARG A 61 18.956 4.507 -8.931 1.00 75.13 H new ATOM 0 HH21 ARG A 61 18.819 4.790 -12.414 1.00 75.23 H new ATOM 0 HH22 ARG A 61 19.656 5.280 -10.937 1.00 75.23 H new ATOM 992 N ARG A 62 13.720 2.596 -16.122 1.00 35.52 N ATOM 993 CA ARG A 62 12.569 2.059 -16.931 1.00 0.44 C ATOM 994 C ARG A 62 12.538 0.559 -16.680 1.00 31.24 C ATOM 995 O ARG A 62 11.514 -0.014 -16.439 1.00 60.23 O ATOM 996 CB ARG A 62 12.781 2.266 -18.433 1.00 43.31 C ATOM 997 CG ARG A 62 11.389 2.281 -19.076 1.00 10.34 C ATOM 998 CD ARG A 62 11.491 1.932 -20.562 1.00 62.31 C ATOM 999 NE ARG A 62 10.802 0.617 -20.687 1.00 32.30 N ATOM 1000 CZ ARG A 62 10.807 -0.019 -21.827 1.00 4.42 C ATOM 1001 NH1 ARG A 62 11.018 0.633 -22.937 1.00 15.34 N ATOM 1002 NH2 ARG A 62 10.600 -1.307 -21.855 1.00 71.22 N ATOM 0 H ARG A 62 14.427 3.134 -16.623 1.00 35.52 H new ATOM 0 HA ARG A 62 11.652 2.573 -16.641 1.00 0.44 H new ATOM 0 HB2 ARG A 62 13.306 3.202 -18.624 1.00 43.31 H new ATOM 0 HB3 ARG A 62 13.392 1.466 -18.852 1.00 43.31 H new ATOM 0 HG2 ARG A 62 10.739 1.567 -18.571 1.00 10.34 H new ATOM 0 HG3 ARG A 62 10.935 3.265 -18.956 1.00 10.34 H new ATOM 0 HD2 ARG A 62 11.012 2.691 -21.181 1.00 62.31 H new ATOM 0 HD3 ARG A 62 12.530 1.867 -20.884 1.00 62.31 H new ATOM 0 HE ARG A 62 10.326 0.213 -19.881 1.00 32.30 H new ATOM 0 HH11 ARG A 62 11.179 1.640 -22.914 1.00 15.34 H new ATOM 0 HH12 ARG A 62 11.022 0.136 -23.828 1.00 15.34 H new ATOM 0 HH21 ARG A 62 10.434 -1.816 -20.987 1.00 71.22 H new ATOM 0 HH22 ARG A 62 10.604 -1.805 -22.745 1.00 71.22 H new ATOM 1016 N ALA A 63 13.679 -0.090 -16.725 1.00 33.35 N ATOM 1017 CA ALA A 63 13.691 -1.554 -16.463 1.00 13.32 C ATOM 1018 C ALA A 63 13.003 -1.814 -15.129 1.00 72.24 C ATOM 1019 O ALA A 63 12.023 -2.520 -15.057 1.00 35.44 O ATOM 1020 CB ALA A 63 15.161 -1.938 -16.383 1.00 12.13 C ATOM 0 H ALA A 63 14.586 0.329 -16.929 1.00 33.35 H new ATOM 0 HA ALA A 63 13.173 -2.128 -17.232 1.00 13.32 H new ATOM 0 HB1 ALA A 63 15.248 -3.007 -16.191 1.00 12.13 H new ATOM 0 HB2 ALA A 63 15.652 -1.698 -17.326 1.00 12.13 H new ATOM 0 HB3 ALA A 63 15.638 -1.384 -15.574 1.00 12.13 H new ATOM 1026 N GLU A 64 13.492 -1.218 -14.074 1.00 13.12 N ATOM 1027 CA GLU A 64 12.835 -1.402 -12.754 1.00 32.20 C ATOM 1028 C GLU A 64 11.406 -0.887 -12.874 1.00 70.32 C ATOM 1029 O GLU A 64 10.455 -1.538 -12.481 1.00 35.22 O ATOM 1030 CB GLU A 64 13.643 -0.548 -11.776 1.00 63.10 C ATOM 1031 CG GLU A 64 14.443 -1.455 -10.840 1.00 14.31 C ATOM 1032 CD GLU A 64 13.564 -1.881 -9.661 1.00 24.21 C ATOM 1033 OE1 GLU A 64 13.349 -1.063 -8.782 1.00 23.02 O ATOM 1034 OE2 GLU A 64 13.122 -3.019 -9.657 1.00 20.22 O ATOM 0 H GLU A 64 14.315 -0.615 -14.072 1.00 13.12 H new ATOM 0 HA GLU A 64 12.802 -2.439 -12.421 1.00 32.20 H new ATOM 0 HB2 GLU A 64 14.317 0.110 -12.324 1.00 63.10 H new ATOM 0 HB3 GLU A 64 12.975 0.090 -11.197 1.00 63.10 H new ATOM 0 HG2 GLU A 64 14.794 -2.334 -11.381 1.00 14.31 H new ATOM 0 HG3 GLU A 64 15.327 -0.930 -10.477 1.00 14.31 H new ATOM 1041 N TYR A 65 11.245 0.276 -13.447 1.00 72.33 N ATOM 1042 CA TYR A 65 9.889 0.818 -13.626 1.00 45.41 C ATOM 1043 C TYR A 65 9.054 -0.230 -14.317 1.00 63.34 C ATOM 1044 O TYR A 65 8.052 -0.693 -13.830 1.00 74.31 O ATOM 1045 CB TYR A 65 10.036 2.008 -14.582 1.00 70.54 C ATOM 1046 CG TYR A 65 8.685 2.521 -14.854 1.00 42.42 C ATOM 1047 CD1 TYR A 65 7.818 2.669 -13.793 1.00 24.22 C ATOM 1048 CD2 TYR A 65 8.281 2.841 -16.154 1.00 55.53 C ATOM 1049 CE1 TYR A 65 6.555 3.132 -14.006 1.00 43.44 C ATOM 1050 CE2 TYR A 65 6.991 3.297 -16.372 1.00 24.32 C ATOM 1051 CZ TYR A 65 6.121 3.447 -15.296 1.00 41.12 C ATOM 1052 OH TYR A 65 4.832 3.870 -15.516 1.00 0.03 O ATOM 0 H TYR A 65 12.001 0.866 -13.795 1.00 72.33 H new ATOM 0 HA TYR A 65 9.431 1.102 -12.678 1.00 45.41 H new ATOM 0 HB2 TYR A 65 10.659 2.784 -14.137 1.00 70.54 H new ATOM 0 HB3 TYR A 65 10.523 1.700 -15.507 1.00 70.54 H new ATOM 0 HD1 TYR A 65 8.140 2.418 -12.793 1.00 24.22 H new ATOM 0 HD2 TYR A 65 8.968 2.734 -16.980 1.00 55.53 H new ATOM 0 HE1 TYR A 65 5.883 3.257 -13.170 1.00 43.44 H new ATOM 0 HE2 TYR A 65 6.662 3.535 -17.373 1.00 24.32 H new ATOM 0 HH TYR A 65 4.264 3.097 -15.719 1.00 0.03 H new ATOM 1062 N ASP A 66 9.506 -0.625 -15.449 1.00 53.43 N ATOM 1063 CA ASP A 66 8.781 -1.674 -16.210 1.00 60.02 C ATOM 1064 C ASP A 66 8.735 -2.952 -15.375 1.00 62.20 C ATOM 1065 O ASP A 66 7.771 -3.689 -15.404 1.00 74.34 O ATOM 1066 CB ASP A 66 9.596 -1.886 -17.486 1.00 14.24 C ATOM 1067 CG ASP A 66 8.652 -2.166 -18.657 1.00 33.11 C ATOM 1068 OD1 ASP A 66 7.574 -1.596 -18.672 1.00 23.04 O ATOM 1069 OD2 ASP A 66 9.024 -2.945 -19.519 1.00 53.54 O ATOM 0 H ASP A 66 10.353 -0.271 -15.894 1.00 53.43 H new ATOM 0 HA ASP A 66 7.753 -1.395 -16.443 1.00 60.02 H new ATOM 0 HB2 ASP A 66 10.199 -1.003 -17.695 1.00 14.24 H new ATOM 0 HB3 ASP A 66 10.286 -2.719 -17.355 1.00 14.24 H new ATOM 1074 N GLN A 67 9.774 -3.204 -14.620 1.00 21.02 N ATOM 1075 CA GLN A 67 9.816 -4.424 -13.762 1.00 63.22 C ATOM 1076 C GLN A 67 8.550 -4.506 -12.913 1.00 21.43 C ATOM 1077 O GLN A 67 7.878 -5.518 -12.875 1.00 53.35 O ATOM 1078 CB GLN A 67 11.043 -4.240 -12.868 1.00 75.23 C ATOM 1079 CG GLN A 67 11.452 -5.589 -12.275 1.00 1.12 C ATOM 1080 CD GLN A 67 12.610 -6.171 -13.088 1.00 30.20 C ATOM 1081 OE1 GLN A 67 12.672 -5.998 -14.289 1.00 2.02 O ATOM 1082 NE2 GLN A 67 13.538 -6.859 -12.480 1.00 41.44 N ATOM 0 H GLN A 67 10.602 -2.611 -14.562 1.00 21.02 H new ATOM 0 HA GLN A 67 9.873 -5.341 -14.349 1.00 63.22 H new ATOM 0 HB2 GLN A 67 11.867 -3.820 -13.446 1.00 75.23 H new ATOM 0 HB3 GLN A 67 10.821 -3.532 -12.069 1.00 75.23 H new ATOM 0 HG2 GLN A 67 11.750 -5.466 -11.234 1.00 1.12 H new ATOM 0 HG3 GLN A 67 10.605 -6.275 -12.285 1.00 1.12 H new ATOM 0 HE21 GLN A 67 13.487 -7.005 -11.472 1.00 41.44 H new ATOM 0 HE22 GLN A 67 14.314 -7.251 -13.013 1.00 41.44 H new ATOM 1091 N MET A 68 8.214 -3.440 -12.240 1.00 22.53 N ATOM 1092 CA MET A 68 6.972 -3.465 -11.400 1.00 31.12 C ATOM 1093 C MET A 68 5.746 -3.355 -12.308 1.00 13.03 C ATOM 1094 O MET A 68 4.709 -3.930 -12.041 1.00 53.11 O ATOM 1095 CB MET A 68 7.008 -2.269 -10.415 1.00 15.11 C ATOM 1096 CG MET A 68 8.238 -1.374 -10.622 1.00 54.44 C ATOM 1097 SD MET A 68 8.192 0.001 -9.443 1.00 41.32 S ATOM 1098 CE MET A 68 7.828 1.310 -10.639 1.00 34.13 C ATOM 0 H MET A 68 8.734 -2.562 -12.231 1.00 22.53 H new ATOM 0 HA MET A 68 6.918 -4.398 -10.838 1.00 31.12 H new ATOM 0 HB2 MET A 68 6.104 -1.673 -10.539 1.00 15.11 H new ATOM 0 HB3 MET A 68 7.004 -2.645 -9.392 1.00 15.11 H new ATOM 0 HG2 MET A 68 9.150 -1.954 -10.484 1.00 54.44 H new ATOM 0 HG3 MET A 68 8.255 -0.991 -11.642 1.00 54.44 H new ATOM 0 HE1 MET A 68 8.589 2.087 -10.571 1.00 34.13 H new ATOM 0 HE2 MET A 68 7.825 0.892 -11.646 1.00 34.13 H new ATOM 0 HE3 MET A 68 6.850 1.740 -10.422 1.00 34.13 H new ATOM 1108 N TRP A 69 5.855 -2.615 -13.379 1.00 75.05 N ATOM 1109 CA TRP A 69 4.690 -2.465 -14.301 1.00 63.41 C ATOM 1110 C TRP A 69 4.277 -3.831 -14.895 1.00 31.01 C ATOM 1111 O TRP A 69 3.883 -4.726 -14.174 1.00 22.25 O ATOM 1112 CB TRP A 69 5.168 -1.478 -15.375 1.00 14.22 C ATOM 1113 CG TRP A 69 4.038 -0.575 -15.779 1.00 54.10 C ATOM 1114 CD1 TRP A 69 4.140 0.769 -15.885 1.00 54.41 C ATOM 1115 CD2 TRP A 69 2.651 -0.903 -16.119 1.00 44.34 C ATOM 1116 NE1 TRP A 69 2.919 1.287 -16.268 1.00 34.14 N ATOM 1117 CE2 TRP A 69 1.970 0.300 -16.426 1.00 64.23 C ATOM 1118 CE3 TRP A 69 1.921 -2.107 -16.194 1.00 42.13 C ATOM 1119 CZ2 TRP A 69 0.622 0.310 -16.791 1.00 73.11 C ATOM 1120 CZ3 TRP A 69 0.565 -2.099 -16.561 1.00 14.24 C ATOM 1121 CH2 TRP A 69 -0.082 -0.893 -16.859 1.00 4.34 C ATOM 0 H TRP A 69 6.697 -2.109 -13.655 1.00 75.05 H new ATOM 0 HA TRP A 69 3.797 -2.096 -13.796 1.00 63.41 H new ATOM 0 HB2 TRP A 69 5.999 -0.886 -14.993 1.00 14.22 H new ATOM 0 HB3 TRP A 69 5.538 -2.023 -16.243 1.00 14.22 H new ATOM 0 HD1 TRP A 69 5.034 1.346 -15.700 1.00 54.41 H new ATOM 0 HE1 TRP A 69 2.741 2.280 -16.416 1.00 34.14 H new ATOM 0 HE3 TRP A 69 2.409 -3.044 -15.967 1.00 42.13 H new ATOM 0 HZ2 TRP A 69 0.128 1.243 -17.019 1.00 73.11 H new ATOM 0 HZ3 TRP A 69 0.018 -3.029 -16.614 1.00 14.24 H new ATOM 0 HH2 TRP A 69 -1.125 -0.894 -17.141 1.00 4.34 H new ATOM 1132 N GLN A 70 4.325 -3.996 -16.196 1.00 5.32 N ATOM 1133 CA GLN A 70 3.895 -5.290 -16.809 1.00 44.44 C ATOM 1134 C GLN A 70 4.842 -6.435 -16.439 1.00 34.35 C ATOM 1135 O GLN A 70 4.477 -7.593 -16.495 1.00 31.23 O ATOM 1136 CB GLN A 70 3.933 -5.035 -18.316 1.00 52.03 C ATOM 1137 CG GLN A 70 2.764 -4.129 -18.712 1.00 52.31 C ATOM 1138 CD GLN A 70 2.475 -4.292 -20.206 1.00 74.02 C ATOM 1139 OE1 GLN A 70 3.065 -5.126 -20.863 1.00 21.43 O ATOM 1140 NE2 GLN A 70 1.585 -3.524 -20.773 1.00 24.02 N ATOM 0 H GLN A 70 4.644 -3.289 -16.859 1.00 5.32 H new ATOM 0 HA GLN A 70 2.909 -5.591 -16.455 1.00 44.44 H new ATOM 0 HB2 GLN A 70 4.878 -4.568 -18.593 1.00 52.03 H new ATOM 0 HB3 GLN A 70 3.874 -5.980 -18.857 1.00 52.03 H new ATOM 0 HG2 GLN A 70 1.879 -4.384 -18.130 1.00 52.31 H new ATOM 0 HG3 GLN A 70 3.004 -3.089 -18.488 1.00 52.31 H new ATOM 0 HE21 GLN A 70 1.090 -2.824 -20.221 1.00 24.02 H new ATOM 0 HE22 GLN A 70 1.385 -3.624 -21.768 1.00 24.02 H new ATOM 1149 N HIS A 71 6.053 -6.131 -16.073 1.00 3.44 N ATOM 1150 CA HIS A 71 7.012 -7.215 -15.716 1.00 70.43 C ATOM 1151 C HIS A 71 6.696 -7.781 -14.328 1.00 4.33 C ATOM 1152 O HIS A 71 7.376 -8.661 -13.839 1.00 34.23 O ATOM 1153 CB HIS A 71 8.379 -6.540 -15.716 1.00 15.01 C ATOM 1154 CG HIS A 71 8.783 -6.219 -17.128 1.00 45.25 C ATOM 1155 ND1 HIS A 71 10.076 -6.412 -17.589 1.00 2.41 N ATOM 1156 CD2 HIS A 71 8.077 -5.715 -18.191 1.00 64.42 C ATOM 1157 CE1 HIS A 71 10.108 -6.030 -18.878 1.00 31.50 C ATOM 1158 NE2 HIS A 71 8.915 -5.597 -19.296 1.00 42.03 N ATOM 0 H HIS A 71 6.422 -5.182 -16.005 1.00 3.44 H new ATOM 0 HA HIS A 71 6.963 -8.052 -16.413 1.00 70.43 H new ATOM 0 HB2 HIS A 71 8.345 -5.628 -15.120 1.00 15.01 H new ATOM 0 HB3 HIS A 71 9.119 -7.194 -15.255 1.00 15.01 H new ATOM 0 HD2 HIS A 71 7.030 -5.450 -18.173 1.00 64.42 H new ATOM 0 HE1 HIS A 71 10.990 -6.068 -19.500 1.00 31.50 H new ATOM 0 HE2 HIS A 71 8.671 -5.254 -20.225 1.00 42.03 H new ATOM 1166 N ARG A 72 5.673 -7.284 -13.689 1.00 5.40 N ATOM 1167 CA ARG A 72 5.322 -7.799 -12.334 1.00 15.32 C ATOM 1168 C ARG A 72 5.425 -9.326 -12.306 1.00 70.22 C ATOM 1169 O ARG A 72 5.414 -9.921 -13.371 1.00 71.32 O ATOM 1170 CB ARG A 72 3.878 -7.353 -12.101 1.00 22.43 C ATOM 1171 CG ARG A 72 2.977 -7.963 -13.176 1.00 25.02 C ATOM 1172 CD ARG A 72 2.462 -9.323 -12.700 1.00 61.34 C ATOM 1173 NE ARG A 72 1.005 -9.309 -13.006 1.00 20.34 N ATOM 1174 CZ ARG A 72 0.147 -9.723 -12.114 1.00 71.33 C ATOM 1175 NH1 ARG A 72 0.043 -9.102 -10.970 1.00 64.32 N ATOM 1176 NH2 ARG A 72 -0.607 -10.757 -12.366 1.00 42.32 N ATOM 1177 OXT ARG A 72 5.515 -9.874 -11.219 1.00 71.32 O ATOM 0 H ARG A 72 5.066 -6.546 -14.045 1.00 5.40 H new ATOM 0 HA ARG A 72 5.993 -7.422 -11.562 1.00 15.32 H new ATOM 0 HB2 ARG A 72 3.545 -7.666 -11.111 1.00 22.43 H new ATOM 0 HB3 ARG A 72 3.813 -6.265 -12.131 1.00 22.43 H new ATOM 0 HG2 ARG A 72 2.139 -7.297 -13.384 1.00 25.02 H new ATOM 0 HG3 ARG A 72 3.531 -8.078 -14.108 1.00 25.02 H new ATOM 0 HD2 ARG A 72 2.966 -10.139 -13.217 1.00 61.34 H new ATOM 0 HD3 ARG A 72 2.641 -9.462 -11.634 1.00 61.34 H new ATOM 0 HE ARG A 72 0.677 -8.976 -13.913 1.00 20.34 H new ATOM 0 HH11 ARG A 72 0.632 -8.293 -10.773 1.00 64.32 H new ATOM 0 HH12 ARG A 72 -0.628 -9.426 -10.273 1.00 64.32 H new ATOM 0 HH21 ARG A 72 -0.526 -11.242 -13.260 1.00 42.32 H new ATOM 0 HH22 ARG A 72 -1.278 -11.081 -11.669 1.00 42.32 H new TER 1191 ARG A 72