USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 LYS NZ :NH3+ -160:sc= -0.788 (180deg=-0.941) USER MOD Set 1.2: B -7 PHE N :NH3+ 152:sc= 0.474 (180deg=0.101) USER MOD Set 2.1: A 88 THR OG1 : rot -170:sc= 0.928 USER MOD Set 2.2: A 91 GLN : amide:sc= 0.22 K(o=1.1,f=1.8) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0914 USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -90:sc= -0.275 USER MOD Single : A 25 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.3) USER MOD Single : A 27 SER OG : rot 95:sc= 0.724 USER MOD Single : A 29 CYS SG : rot -163:sc= 0.368 USER MOD Single : A 31 HIS : no HD1:sc= -3.36 K(o=-3.4,f=-4.1!) USER MOD Single : A 32 TYR OH : rot 171:sc= -0.667 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.563 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 138:sc= -0.868 (180deg=-3.78!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -173:sc= 0.859 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.54! K(o=-1.5!,f=0.21) USER MOD Single : A 78 MET CE :methyl -157:sc= -1.1 (180deg=-1.24) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -114:sc= 0.537 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.35) USER MOD Single : A 96 THR OG1 : rot -94:sc= 1.23 USER MOD Single : B 1 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0257) USER MOD Single : B -4 SER OG : rot 180:sc=0.000567 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 5.461 -2.901 -5.444 1.00 30.31 N ATOM 43 CA LEU A 2 6.624 -2.832 -6.322 1.00 2.15 C ATOM 44 C LEU A 2 7.105 -4.229 -6.699 1.00 65.14 C ATOM 45 O LEU A 2 6.992 -5.170 -5.913 1.00 53.05 O ATOM 46 CB LEU A 2 7.755 -2.057 -5.642 1.00 73.11 C ATOM 47 CG LEU A 2 8.344 -2.695 -4.383 1.00 74.03 C ATOM 48 CD1 LEU A 2 9.840 -2.912 -4.545 1.00 1.11 C ATOM 49 CD2 LEU A 2 8.057 -1.832 -3.164 1.00 14.44 C ATOM 0 HA LEU A 2 6.331 -2.311 -7.233 1.00 2.15 H new ATOM 0 HB2 LEU A 2 8.559 -1.918 -6.365 1.00 73.11 H new ATOM 0 HB3 LEU A 2 7.384 -1.065 -5.383 1.00 73.11 H new ATOM 0 HG LEU A 2 7.871 -3.666 -4.235 1.00 74.03 H new ATOM 0 HD11 LEU A 2 10.242 -3.367 -3.640 1.00 1.11 H new ATOM 0 HD12 LEU A 2 10.022 -3.571 -5.394 1.00 1.11 H new ATOM 0 HD13 LEU A 2 10.330 -1.954 -4.718 1.00 1.11 H new ATOM 0 HD21 LEU A 2 8.483 -2.301 -2.277 1.00 14.44 H new ATOM 0 HD22 LEU A 2 8.502 -0.847 -3.303 1.00 14.44 H new ATOM 0 HD23 LEU A 2 6.979 -1.729 -3.037 1.00 14.44 H new ATOM 61 N PHE A 3 7.645 -4.357 -7.907 1.00 4.11 N ATOM 62 CA PHE A 3 8.146 -5.639 -8.389 1.00 34.01 C ATOM 63 C PHE A 3 9.649 -5.577 -8.640 1.00 5.43 C ATOM 64 O PHE A 3 10.231 -4.495 -8.723 1.00 63.50 O ATOM 65 CB PHE A 3 7.419 -6.044 -9.673 1.00 43.55 C ATOM 66 CG PHE A 3 6.002 -6.487 -9.447 1.00 3.03 C ATOM 67 CD1 PHE A 3 5.057 -5.604 -8.949 1.00 65.10 C ATOM 68 CD2 PHE A 3 5.615 -7.786 -9.732 1.00 20.34 C ATOM 69 CE1 PHE A 3 3.753 -6.010 -8.739 1.00 2.13 C ATOM 70 CE2 PHE A 3 4.312 -8.198 -9.524 1.00 11.22 C ATOM 71 CZ PHE A 3 3.380 -7.308 -9.028 1.00 14.14 C ATOM 0 H PHE A 3 7.747 -3.588 -8.570 1.00 4.11 H new ATOM 0 HA PHE A 3 7.955 -6.387 -7.620 1.00 34.01 H new ATOM 0 HB2 PHE A 3 7.421 -5.201 -10.364 1.00 43.55 H new ATOM 0 HB3 PHE A 3 7.971 -6.851 -10.154 1.00 43.55 H new ATOM 0 HD1 PHE A 3 5.343 -4.587 -8.723 1.00 65.10 H new ATOM 0 HD2 PHE A 3 6.340 -8.485 -10.121 1.00 20.34 H new ATOM 0 HE1 PHE A 3 3.026 -5.313 -8.349 1.00 2.13 H new ATOM 0 HE2 PHE A 3 4.023 -9.214 -9.749 1.00 11.22 H new ATOM 0 HZ PHE A 3 2.361 -7.626 -8.866 1.00 14.14 H new ATOM 81 N ALA A 4 10.272 -6.745 -8.758 1.00 44.44 N ATOM 82 CA ALA A 4 11.708 -6.824 -9.001 1.00 14.31 C ATOM 83 C ALA A 4 12.043 -7.977 -9.940 1.00 72.22 C ATOM 84 O ALA A 4 11.224 -8.870 -10.161 1.00 11.41 O ATOM 85 CB ALA A 4 12.457 -6.976 -7.686 1.00 24.42 C ATOM 0 H ALA A 4 9.805 -7.649 -8.689 1.00 44.44 H new ATOM 0 HA ALA A 4 12.023 -5.897 -9.481 1.00 14.31 H new ATOM 0 HB1 ALA A 4 13.528 -7.034 -7.882 1.00 24.42 H new ATOM 0 HB2 ALA A 4 12.251 -6.116 -7.048 1.00 24.42 H new ATOM 0 HB3 ALA A 4 12.130 -7.887 -7.184 1.00 24.42 H new ATOM 91 N VAL A 5 13.252 -7.953 -10.492 1.00 51.31 N ATOM 92 CA VAL A 5 13.696 -8.997 -11.408 1.00 14.12 C ATOM 93 C VAL A 5 15.071 -9.525 -11.015 1.00 12.42 C ATOM 94 O VAL A 5 16.001 -8.753 -10.780 1.00 43.44 O ATOM 95 CB VAL A 5 13.750 -8.485 -12.859 1.00 41.53 C ATOM 96 CG1 VAL A 5 14.741 -7.337 -12.984 1.00 13.02 C ATOM 97 CG2 VAL A 5 14.110 -9.616 -13.810 1.00 61.02 C ATOM 0 H VAL A 5 13.942 -7.221 -10.321 1.00 51.31 H new ATOM 0 HA VAL A 5 12.968 -9.805 -11.343 1.00 14.12 H new ATOM 0 HB VAL A 5 12.762 -8.112 -13.131 1.00 41.53 H new ATOM 0 HG11 VAL A 5 14.766 -6.988 -14.016 1.00 13.02 H new ATOM 0 HG12 VAL A 5 14.434 -6.519 -12.332 1.00 13.02 H new ATOM 0 HG13 VAL A 5 15.734 -7.680 -12.693 1.00 13.02 H new ATOM 0 HG21 VAL A 5 14.144 -9.236 -14.831 1.00 61.02 H new ATOM 0 HG22 VAL A 5 15.086 -10.021 -13.541 1.00 61.02 H new ATOM 0 HG23 VAL A 5 13.359 -10.403 -13.740 1.00 61.02 H new ATOM 107 N THR A 6 15.194 -10.847 -10.945 1.00 14.45 N ATOM 108 CA THR A 6 16.455 -11.479 -10.579 1.00 50.33 C ATOM 109 C THR A 6 17.470 -11.375 -11.712 1.00 20.32 C ATOM 110 O THR A 6 17.126 -11.533 -12.884 1.00 50.30 O ATOM 111 CB THR A 6 16.256 -12.963 -10.218 1.00 13.33 C ATOM 112 OG1 THR A 6 14.924 -13.372 -10.546 1.00 74.44 O ATOM 113 CG2 THR A 6 16.513 -13.198 -8.737 1.00 62.20 C ATOM 0 H THR A 6 14.435 -11.501 -11.137 1.00 14.45 H new ATOM 0 HA THR A 6 16.833 -10.948 -9.705 1.00 50.33 H new ATOM 0 HB THR A 6 16.969 -13.553 -10.793 1.00 13.33 H new ATOM 0 HG1 THR A 6 14.806 -14.317 -10.315 1.00 74.44 H new ATOM 0 HG21 THR A 6 16.366 -14.253 -8.505 1.00 62.20 H new ATOM 0 HG22 THR A 6 17.537 -12.912 -8.496 1.00 62.20 H new ATOM 0 HG23 THR A 6 15.820 -12.597 -8.148 1.00 62.20 H new ATOM 121 N LEU A 7 18.722 -11.110 -11.355 1.00 60.54 N ATOM 122 CA LEU A 7 19.789 -10.987 -12.343 1.00 12.23 C ATOM 123 C LEU A 7 20.809 -12.109 -12.185 1.00 64.32 C ATOM 124 O LEU A 7 21.669 -12.306 -13.045 1.00 10.34 O ATOM 125 CB LEU A 7 20.481 -9.630 -12.207 1.00 43.41 C ATOM 126 CG LEU A 7 19.560 -8.413 -12.109 1.00 3.01 C ATOM 127 CD1 LEU A 7 20.363 -7.159 -11.798 1.00 62.32 C ATOM 128 CD2 LEU A 7 18.770 -8.237 -13.397 1.00 42.25 C ATOM 0 H LEU A 7 19.023 -10.976 -10.390 1.00 60.54 H new ATOM 0 HA LEU A 7 19.344 -11.064 -13.335 1.00 12.23 H new ATOM 0 HB2 LEU A 7 21.113 -9.654 -11.319 1.00 43.41 H new ATOM 0 HB3 LEU A 7 21.140 -9.493 -13.064 1.00 43.41 H new ATOM 0 HG LEU A 7 18.855 -8.579 -11.294 1.00 3.01 H new ATOM 0 HD11 LEU A 7 19.691 -6.304 -11.732 1.00 62.32 H new ATOM 0 HD12 LEU A 7 20.883 -7.286 -10.848 1.00 62.32 H new ATOM 0 HD13 LEU A 7 21.092 -6.988 -12.590 1.00 62.32 H new ATOM 0 HD21 LEU A 7 18.120 -7.366 -13.309 1.00 42.25 H new ATOM 0 HD22 LEU A 7 19.459 -8.093 -14.229 1.00 42.25 H new ATOM 0 HD23 LEU A 7 18.164 -9.125 -13.577 1.00 42.25 H new ATOM 140 N TYR A 8 20.707 -12.844 -11.083 1.00 64.03 N ATOM 141 CA TYR A 8 21.622 -13.947 -10.813 1.00 33.21 C ATOM 142 C TYR A 8 20.868 -15.161 -10.278 1.00 11.11 C ATOM 143 O TYR A 8 19.751 -15.039 -9.776 1.00 21.11 O ATOM 144 CB TYR A 8 22.693 -13.515 -9.810 1.00 32.31 C ATOM 145 CG TYR A 8 23.546 -12.364 -10.293 1.00 71.31 C ATOM 146 CD1 TYR A 8 23.049 -11.067 -10.314 1.00 3.33 C ATOM 147 CD2 TYR A 8 24.848 -12.574 -10.730 1.00 30.21 C ATOM 148 CE1 TYR A 8 23.825 -10.012 -10.755 1.00 13.01 C ATOM 149 CE2 TYR A 8 25.631 -11.525 -11.171 1.00 61.44 C ATOM 150 CZ TYR A 8 25.115 -10.246 -11.182 1.00 60.33 C ATOM 151 OH TYR A 8 25.891 -9.199 -11.623 1.00 25.13 O ATOM 0 H TYR A 8 20.000 -12.696 -10.363 1.00 64.03 H new ATOM 0 HA TYR A 8 22.103 -14.225 -11.751 1.00 33.21 H new ATOM 0 HB2 TYR A 8 22.210 -13.231 -8.875 1.00 32.31 H new ATOM 0 HB3 TYR A 8 23.337 -14.366 -9.590 1.00 32.31 H new ATOM 0 HD1 TYR A 8 22.039 -10.880 -9.980 1.00 3.33 H new ATOM 0 HD2 TYR A 8 25.255 -13.574 -10.725 1.00 30.21 H new ATOM 0 HE1 TYR A 8 23.423 -9.010 -10.765 1.00 13.01 H new ATOM 0 HE2 TYR A 8 26.642 -11.705 -11.505 1.00 61.44 H new ATOM 0 HH TYR A 8 25.625 -8.377 -11.160 1.00 25.13 H new ATOM 161 N GLU A 9 21.489 -16.331 -10.389 1.00 75.24 N ATOM 162 CA GLU A 9 20.877 -17.568 -9.917 1.00 55.33 C ATOM 163 C GLU A 9 21.157 -17.781 -8.432 1.00 54.14 C ATOM 164 O GLU A 9 22.285 -18.077 -8.038 1.00 72.44 O ATOM 165 CB GLU A 9 21.397 -18.760 -10.722 1.00 62.31 C ATOM 166 CG GLU A 9 20.791 -20.089 -10.303 1.00 2.05 C ATOM 167 CD GLU A 9 19.643 -20.514 -11.196 1.00 75.53 C ATOM 168 OE1 GLU A 9 19.712 -20.253 -12.416 1.00 0.24 O ATOM 169 OE2 GLU A 9 18.675 -21.108 -10.677 1.00 74.52 O ATOM 0 H GLU A 9 22.415 -16.448 -10.801 1.00 75.24 H new ATOM 0 HA GLU A 9 19.799 -17.487 -10.058 1.00 55.33 H new ATOM 0 HB2 GLU A 9 21.189 -18.592 -11.779 1.00 62.31 H new ATOM 0 HB3 GLU A 9 22.480 -18.815 -10.615 1.00 62.31 H new ATOM 0 HG2 GLU A 9 21.564 -20.858 -10.320 1.00 2.05 H new ATOM 0 HG3 GLU A 9 20.438 -20.015 -9.274 1.00 2.05 H new ATOM 176 N PHE A 10 20.122 -17.627 -7.613 1.00 73.31 N ATOM 177 CA PHE A 10 20.256 -17.801 -6.171 1.00 75.25 C ATOM 178 C PHE A 10 19.904 -19.228 -5.761 1.00 25.22 C ATOM 179 O PHE A 10 18.952 -19.818 -6.272 1.00 43.35 O ATOM 180 CB PHE A 10 19.356 -16.809 -5.431 1.00 72.51 C ATOM 181 CG PHE A 10 19.725 -16.628 -3.987 1.00 5.43 C ATOM 182 CD1 PHE A 10 21.022 -16.296 -3.626 1.00 74.21 C ATOM 183 CD2 PHE A 10 18.777 -16.787 -2.990 1.00 32.44 C ATOM 184 CE1 PHE A 10 21.364 -16.129 -2.298 1.00 24.13 C ATOM 185 CE2 PHE A 10 19.114 -16.621 -1.659 1.00 74.14 C ATOM 186 CZ PHE A 10 20.409 -16.290 -1.313 1.00 61.52 C ATOM 0 H PHE A 10 19.182 -17.382 -7.923 1.00 73.31 H new ATOM 0 HA PHE A 10 21.295 -17.610 -5.901 1.00 75.25 H new ATOM 0 HB2 PHE A 10 19.403 -15.843 -5.934 1.00 72.51 H new ATOM 0 HB3 PHE A 10 18.323 -17.151 -5.494 1.00 72.51 H new ATOM 0 HD1 PHE A 10 21.773 -16.167 -4.391 1.00 74.21 H new ATOM 0 HD2 PHE A 10 17.762 -17.044 -3.255 1.00 32.44 H new ATOM 0 HE1 PHE A 10 22.378 -15.873 -2.030 1.00 24.13 H new ATOM 0 HE2 PHE A 10 18.365 -16.750 -0.891 1.00 74.14 H new ATOM 0 HZ PHE A 10 20.675 -16.157 -0.275 1.00 61.52 H new ATOM 196 N LYS A 11 20.681 -19.779 -4.834 1.00 10.43 N ATOM 197 CA LYS A 11 20.454 -21.136 -4.352 1.00 51.01 C ATOM 198 C LYS A 11 20.015 -21.129 -2.891 1.00 42.32 C ATOM 199 O LYS A 11 20.844 -21.057 -1.985 1.00 25.12 O ATOM 200 CB LYS A 11 21.724 -21.974 -4.510 1.00 24.40 C ATOM 201 CG LYS A 11 22.397 -21.811 -5.862 1.00 0.21 C ATOM 202 CD LYS A 11 23.576 -20.855 -5.786 1.00 54.43 C ATOM 203 CE LYS A 11 24.671 -21.241 -6.769 1.00 33.04 C ATOM 204 NZ LYS A 11 25.907 -20.436 -6.566 1.00 52.42 N ATOM 0 H LYS A 11 21.474 -19.306 -4.401 1.00 10.43 H new ATOM 0 HA LYS A 11 19.657 -21.578 -4.950 1.00 51.01 H new ATOM 0 HB2 LYS A 11 22.430 -21.699 -3.727 1.00 24.40 H new ATOM 0 HB3 LYS A 11 21.476 -23.025 -4.361 1.00 24.40 H new ATOM 0 HG2 LYS A 11 22.738 -22.783 -6.219 1.00 0.21 H new ATOM 0 HG3 LYS A 11 21.673 -21.440 -6.588 1.00 0.21 H new ATOM 0 HD2 LYS A 11 23.237 -19.841 -5.997 1.00 54.43 H new ATOM 0 HD3 LYS A 11 23.979 -20.853 -4.773 1.00 54.43 H new ATOM 0 HE2 LYS A 11 24.904 -22.300 -6.655 1.00 33.04 H new ATOM 0 HE3 LYS A 11 24.310 -21.102 -7.788 1.00 33.04 H new ATOM 0 HZ1 LYS A 11 26.629 -20.729 -7.255 1.00 52.42 H new ATOM 0 HZ2 LYS A 11 25.690 -19.428 -6.699 1.00 52.42 H new ATOM 0 HZ3 LYS A 11 26.266 -20.588 -5.602 1.00 52.42 H new ATOM 218 N ALA A 12 18.707 -21.205 -2.671 1.00 11.24 N ATOM 219 CA ALA A 12 18.159 -21.211 -1.320 1.00 0.41 C ATOM 220 C ALA A 12 18.837 -22.270 -0.457 1.00 54.21 C ATOM 221 O ALA A 12 19.398 -23.236 -0.972 1.00 72.12 O ATOM 222 CB ALA A 12 16.656 -21.443 -1.361 1.00 11.00 C ATOM 0 H ALA A 12 18.007 -21.263 -3.411 1.00 11.24 H new ATOM 0 HA ALA A 12 18.353 -20.237 -0.872 1.00 0.41 H new ATOM 0 HB1 ALA A 12 16.260 -21.445 -0.345 1.00 11.00 H new ATOM 0 HB2 ALA A 12 16.180 -20.647 -1.934 1.00 11.00 H new ATOM 0 HB3 ALA A 12 16.449 -22.403 -1.833 1.00 11.00 H new ATOM 228 N GLU A 13 18.781 -22.080 0.857 1.00 34.35 N ATOM 229 CA GLU A 13 19.391 -23.020 1.791 1.00 40.13 C ATOM 230 C GLU A 13 18.331 -23.684 2.665 1.00 24.02 C ATOM 231 O GLU A 13 18.470 -24.844 3.054 1.00 41.11 O ATOM 232 CB GLU A 13 20.419 -22.305 2.670 1.00 12.41 C ATOM 233 CG GLU A 13 19.924 -20.982 3.232 1.00 70.40 C ATOM 234 CD GLU A 13 20.505 -20.675 4.598 1.00 24.13 C ATOM 235 OE1 GLU A 13 21.587 -21.211 4.918 1.00 40.13 O ATOM 236 OE2 GLU A 13 19.878 -19.898 5.348 1.00 11.11 O ATOM 0 H GLU A 13 18.320 -21.285 1.299 1.00 34.35 H new ATOM 0 HA GLU A 13 19.895 -23.793 1.211 1.00 40.13 H new ATOM 0 HB2 GLU A 13 20.697 -22.960 3.496 1.00 12.41 H new ATOM 0 HB3 GLU A 13 21.322 -22.127 2.087 1.00 12.41 H new ATOM 0 HG2 GLU A 13 20.183 -20.179 2.542 1.00 70.40 H new ATOM 0 HG3 GLU A 13 18.836 -21.005 3.301 1.00 70.40 H new ATOM 243 N ARG A 14 17.274 -22.940 2.971 1.00 12.32 N ATOM 244 CA ARG A 14 16.191 -23.455 3.801 1.00 4.20 C ATOM 245 C ARG A 14 14.833 -23.139 3.181 1.00 4.30 C ATOM 246 O ARG A 14 14.754 -22.550 2.103 1.00 60.25 O ATOM 247 CB ARG A 14 16.272 -22.861 5.208 1.00 1.44 C ATOM 248 CG ARG A 14 17.321 -23.520 6.089 1.00 72.32 C ATOM 249 CD ARG A 14 16.735 -24.679 6.880 1.00 12.14 C ATOM 250 NE ARG A 14 16.192 -25.718 6.009 1.00 11.13 N ATOM 251 CZ ARG A 14 16.941 -26.625 5.392 1.00 31.15 C ATOM 252 NH1 ARG A 14 18.257 -26.621 5.551 1.00 63.43 N ATOM 253 NH2 ARG A 14 16.373 -27.539 4.616 1.00 42.02 N ATOM 0 H ARG A 14 17.144 -21.978 2.657 1.00 12.32 H new ATOM 0 HA ARG A 14 16.299 -24.538 3.864 1.00 4.20 H new ATOM 0 HB2 ARG A 14 16.491 -21.796 5.131 1.00 1.44 H new ATOM 0 HB3 ARG A 14 15.298 -22.952 5.688 1.00 1.44 H new ATOM 0 HG2 ARG A 14 18.144 -23.879 5.471 1.00 72.32 H new ATOM 0 HG3 ARG A 14 17.737 -22.783 6.776 1.00 72.32 H new ATOM 0 HD2 ARG A 14 17.507 -25.109 7.519 1.00 12.14 H new ATOM 0 HD3 ARG A 14 15.948 -24.308 7.536 1.00 12.14 H new ATOM 0 HE ARG A 14 15.182 -25.749 5.867 1.00 11.13 H new ATOM 0 HH11 ARG A 14 18.696 -25.920 6.148 1.00 63.43 H new ATOM 0 HH12 ARG A 14 18.830 -27.318 5.076 1.00 63.43 H new ATOM 0 HH21 ARG A 14 15.360 -27.546 4.493 1.00 42.02 H new ATOM 0 HH22 ARG A 14 16.949 -28.235 4.143 1.00 42.02 H new ATOM 267 N ASP A 15 13.768 -23.534 3.869 1.00 3.04 N ATOM 268 CA ASP A 15 12.413 -23.293 3.387 1.00 4.31 C ATOM 269 C ASP A 15 12.125 -21.797 3.303 1.00 71.11 C ATOM 270 O ASP A 15 11.508 -21.327 2.347 1.00 13.30 O ATOM 271 CB ASP A 15 11.394 -23.970 4.304 1.00 23.45 C ATOM 272 CG ASP A 15 9.979 -23.490 4.052 1.00 12.34 C ATOM 273 OD1 ASP A 15 9.655 -23.181 2.886 1.00 63.50 O ATOM 274 OD2 ASP A 15 9.194 -23.422 5.021 1.00 21.53 O ATOM 0 H ASP A 15 13.817 -24.023 4.763 1.00 3.04 H new ATOM 0 HA ASP A 15 12.328 -23.718 2.387 1.00 4.31 H new ATOM 0 HB2 ASP A 15 11.440 -25.049 4.159 1.00 23.45 H new ATOM 0 HB3 ASP A 15 11.660 -23.777 5.343 1.00 23.45 H new ATOM 279 N ASP A 16 12.574 -21.056 4.309 1.00 3.43 N ATOM 280 CA ASP A 16 12.365 -19.613 4.349 1.00 14.03 C ATOM 281 C ASP A 16 12.948 -18.944 3.108 1.00 35.51 C ATOM 282 O ASP A 16 12.528 -17.853 2.725 1.00 32.10 O ATOM 283 CB ASP A 16 12.997 -19.019 5.609 1.00 44.14 C ATOM 284 CG ASP A 16 14.360 -19.612 5.907 1.00 63.03 C ATOM 285 OD1 ASP A 16 15.048 -20.030 4.951 1.00 10.42 O ATOM 286 OD2 ASP A 16 14.740 -19.658 7.095 1.00 12.13 O ATOM 0 H ASP A 16 13.085 -21.430 5.108 1.00 3.43 H new ATOM 0 HA ASP A 16 11.291 -19.427 4.369 1.00 14.03 H new ATOM 0 HB2 ASP A 16 13.092 -17.940 5.490 1.00 44.14 H new ATOM 0 HB3 ASP A 16 12.336 -19.190 6.459 1.00 44.14 H new ATOM 291 N GLU A 17 13.918 -19.607 2.486 1.00 55.13 N ATOM 292 CA GLU A 17 14.559 -19.075 1.289 1.00 11.11 C ATOM 293 C GLU A 17 13.954 -19.688 0.029 1.00 0.13 C ATOM 294 O GLU A 17 13.454 -20.813 0.051 1.00 33.32 O ATOM 295 CB GLU A 17 16.065 -19.344 1.328 1.00 33.10 C ATOM 296 CG GLU A 17 16.864 -18.237 1.994 1.00 50.53 C ATOM 297 CD GLU A 17 16.661 -18.193 3.496 1.00 41.42 C ATOM 298 OE1 GLU A 17 15.698 -17.538 3.946 1.00 1.31 O ATOM 299 OE2 GLU A 17 17.466 -18.814 4.221 1.00 41.11 O ATOM 0 H GLU A 17 14.277 -20.512 2.791 1.00 55.13 H new ATOM 0 HA GLU A 17 14.390 -17.998 1.265 1.00 11.11 H new ATOM 0 HB2 GLU A 17 16.245 -20.279 1.858 1.00 33.10 H new ATOM 0 HB3 GLU A 17 16.428 -19.480 0.309 1.00 33.10 H new ATOM 0 HG2 GLU A 17 17.923 -18.378 1.778 1.00 50.53 H new ATOM 0 HG3 GLU A 17 16.576 -17.278 1.564 1.00 50.53 H new ATOM 306 N LEU A 18 14.003 -18.940 -1.067 1.00 51.14 N ATOM 307 CA LEU A 18 13.460 -19.408 -2.338 1.00 34.22 C ATOM 308 C LEU A 18 14.458 -19.191 -3.470 1.00 50.43 C ATOM 309 O LEU A 18 14.864 -18.061 -3.744 1.00 64.34 O ATOM 310 CB LEU A 18 12.149 -18.685 -2.652 1.00 51.10 C ATOM 311 CG LEU A 18 11.384 -19.185 -3.878 1.00 14.03 C ATOM 312 CD1 LEU A 18 9.949 -19.529 -3.508 1.00 0.42 C ATOM 313 CD2 LEU A 18 11.415 -18.144 -4.988 1.00 24.25 C ATOM 0 H LEU A 18 14.413 -18.007 -1.102 1.00 51.14 H new ATOM 0 HA LEU A 18 13.266 -20.477 -2.250 1.00 34.22 H new ATOM 0 HB2 LEU A 18 11.496 -18.766 -1.783 1.00 51.10 H new ATOM 0 HB3 LEU A 18 12.366 -17.626 -2.791 1.00 51.10 H new ATOM 0 HG LEU A 18 11.871 -20.090 -4.242 1.00 14.03 H new ATOM 0 HD11 LEU A 18 9.420 -19.883 -4.393 1.00 0.42 H new ATOM 0 HD12 LEU A 18 9.947 -20.310 -2.747 1.00 0.42 H new ATOM 0 HD13 LEU A 18 9.451 -18.641 -3.118 1.00 0.42 H new ATOM 0 HD21 LEU A 18 10.866 -18.517 -5.852 1.00 24.25 H new ATOM 0 HD22 LEU A 18 10.953 -17.222 -4.635 1.00 24.25 H new ATOM 0 HD23 LEU A 18 12.448 -17.946 -5.273 1.00 24.25 H new ATOM 325 N ASP A 19 14.847 -20.278 -4.126 1.00 23.42 N ATOM 326 CA ASP A 19 15.796 -20.206 -5.231 1.00 74.54 C ATOM 327 C ASP A 19 15.217 -19.404 -6.392 1.00 51.43 C ATOM 328 O ASP A 19 14.020 -19.470 -6.671 1.00 14.11 O ATOM 329 CB ASP A 19 16.169 -21.613 -5.703 1.00 52.45 C ATOM 330 CG ASP A 19 15.000 -22.338 -6.341 1.00 64.41 C ATOM 331 OD1 ASP A 19 14.132 -22.837 -5.594 1.00 51.52 O ATOM 332 OD2 ASP A 19 14.954 -22.407 -7.587 1.00 31.51 O ATOM 0 H ASP A 19 14.520 -21.220 -3.912 1.00 23.42 H new ATOM 0 HA ASP A 19 16.694 -19.700 -4.875 1.00 74.54 H new ATOM 0 HB2 ASP A 19 16.987 -21.548 -6.420 1.00 52.45 H new ATOM 0 HB3 ASP A 19 16.534 -22.193 -4.855 1.00 52.45 H new ATOM 337 N VAL A 20 16.075 -18.644 -7.066 1.00 21.02 N ATOM 338 CA VAL A 20 15.650 -17.828 -8.197 1.00 14.14 C ATOM 339 C VAL A 20 16.682 -17.862 -9.318 1.00 53.20 C ATOM 340 O VAL A 20 17.850 -18.177 -9.091 1.00 72.33 O ATOM 341 CB VAL A 20 15.413 -16.365 -7.776 1.00 31.34 C ATOM 342 CG1 VAL A 20 14.017 -16.195 -7.197 1.00 34.42 C ATOM 343 CG2 VAL A 20 16.471 -15.921 -6.777 1.00 33.02 C ATOM 0 H VAL A 20 17.069 -18.577 -6.848 1.00 21.02 H new ATOM 0 HA VAL A 20 14.712 -18.251 -8.558 1.00 14.14 H new ATOM 0 HB VAL A 20 15.492 -15.733 -8.661 1.00 31.34 H new ATOM 0 HG11 VAL A 20 13.868 -15.155 -6.905 1.00 34.42 H new ATOM 0 HG12 VAL A 20 13.276 -16.471 -7.947 1.00 34.42 H new ATOM 0 HG13 VAL A 20 13.905 -16.837 -6.323 1.00 34.42 H new ATOM 0 HG21 VAL A 20 16.289 -14.885 -6.490 1.00 33.02 H new ATOM 0 HG22 VAL A 20 16.425 -16.556 -5.892 1.00 33.02 H new ATOM 0 HG23 VAL A 20 17.458 -16.003 -7.232 1.00 33.02 H new ATOM 353 N SER A 21 16.243 -17.534 -10.529 1.00 73.21 N ATOM 354 CA SER A 21 17.128 -17.530 -11.688 1.00 32.21 C ATOM 355 C SER A 21 17.168 -16.150 -12.336 1.00 51.31 C ATOM 356 O SER A 21 16.263 -15.332 -12.171 1.00 12.41 O ATOM 357 CB SER A 21 16.670 -18.573 -12.710 1.00 12.34 C ATOM 358 OG SER A 21 17.133 -19.866 -12.361 1.00 51.13 O ATOM 0 H SER A 21 15.280 -17.268 -10.733 1.00 73.21 H new ATOM 0 HA SER A 21 18.133 -17.782 -11.348 1.00 32.21 H new ATOM 0 HB2 SER A 21 15.582 -18.576 -12.768 1.00 12.34 H new ATOM 0 HB3 SER A 21 17.041 -18.305 -13.699 1.00 12.34 H new ATOM 0 HG SER A 21 18.012 -20.019 -12.767 1.00 51.13 H new ATOM 364 N PRO A 22 18.243 -15.883 -13.092 1.00 61.14 N ATOM 365 CA PRO A 22 18.428 -14.603 -13.782 1.00 3.43 C ATOM 366 C PRO A 22 17.449 -14.419 -14.936 1.00 0.30 C ATOM 367 O PRO A 22 17.456 -15.187 -15.897 1.00 34.02 O ATOM 368 CB PRO A 22 19.864 -14.687 -14.306 1.00 52.35 C ATOM 369 CG PRO A 22 20.134 -16.146 -14.438 1.00 3.24 C ATOM 370 CD PRO A 22 19.361 -16.811 -13.333 1.00 74.33 C ATOM 0 HA PRO A 22 18.250 -13.754 -13.121 1.00 3.43 H new ATOM 0 HB2 PRO A 22 19.966 -14.177 -15.264 1.00 52.35 H new ATOM 0 HB3 PRO A 22 20.565 -14.215 -13.617 1.00 52.35 H new ATOM 0 HG2 PRO A 22 19.817 -16.515 -15.413 1.00 3.24 H new ATOM 0 HG3 PRO A 22 21.200 -16.355 -14.349 1.00 3.24 H new ATOM 0 HD2 PRO A 22 19.007 -17.799 -13.628 1.00 74.33 H new ATOM 0 HD3 PRO A 22 19.971 -16.945 -12.440 1.00 74.33 H new ATOM 378 N GLY A 23 16.607 -13.394 -14.835 1.00 24.22 N ATOM 379 CA GLY A 23 15.634 -13.128 -15.878 1.00 21.13 C ATOM 380 C GLY A 23 14.217 -13.441 -15.441 1.00 55.04 C ATOM 381 O GLY A 23 13.282 -13.353 -16.237 1.00 42.41 O ATOM 0 H GLY A 23 16.582 -12.744 -14.050 1.00 24.22 H new ATOM 0 HA2 GLY A 23 15.698 -12.080 -16.171 1.00 21.13 H new ATOM 0 HA3 GLY A 23 15.879 -13.721 -16.759 1.00 21.13 H new ATOM 385 N GLU A 24 14.057 -13.809 -14.174 1.00 73.31 N ATOM 386 CA GLU A 24 12.743 -14.139 -13.635 1.00 55.00 C ATOM 387 C GLU A 24 12.085 -12.909 -13.015 1.00 74.44 C ATOM 388 O GLU A 24 12.765 -11.977 -12.590 1.00 14.30 O ATOM 389 CB GLU A 24 12.860 -15.250 -12.589 1.00 53.32 C ATOM 390 CG GLU A 24 12.814 -16.649 -13.180 1.00 1.02 C ATOM 391 CD GLU A 24 11.500 -16.946 -13.876 1.00 42.33 C ATOM 392 OE1 GLU A 24 10.440 -16.609 -13.309 1.00 74.02 O ATOM 393 OE2 GLU A 24 11.532 -17.514 -14.987 1.00 63.44 O ATOM 0 H GLU A 24 14.820 -13.886 -13.502 1.00 73.31 H new ATOM 0 HA GLU A 24 12.119 -14.489 -14.457 1.00 55.00 H new ATOM 0 HB2 GLU A 24 13.795 -15.126 -12.042 1.00 53.32 H new ATOM 0 HB3 GLU A 24 12.051 -15.143 -11.866 1.00 53.32 H new ATOM 0 HG2 GLU A 24 13.632 -16.766 -13.891 1.00 1.02 H new ATOM 0 HG3 GLU A 24 12.974 -17.380 -12.387 1.00 1.02 H new ATOM 400 N ASN A 25 10.756 -12.916 -12.969 1.00 63.34 N ATOM 401 CA ASN A 25 10.005 -11.802 -12.403 1.00 43.43 C ATOM 402 C ASN A 25 9.442 -12.165 -11.033 1.00 30.31 C ATOM 403 O ASN A 25 8.604 -13.060 -10.911 1.00 40.13 O ATOM 404 CB ASN A 25 8.868 -11.396 -13.343 1.00 43.12 C ATOM 405 CG ASN A 25 9.352 -11.132 -14.756 1.00 3.00 C ATOM 406 OD1 ASN A 25 9.840 -12.035 -15.436 1.00 31.12 O ATOM 407 ND2 ASN A 25 9.220 -9.889 -15.204 1.00 53.01 N ATOM 0 H ASN A 25 10.178 -13.681 -13.317 1.00 63.34 H new ATOM 0 HA ASN A 25 10.687 -10.960 -12.284 1.00 43.43 H new ATOM 0 HB2 ASN A 25 8.116 -12.185 -13.361 1.00 43.12 H new ATOM 0 HB3 ASN A 25 8.382 -10.501 -12.955 1.00 43.12 H new ATOM 0 HD21 ASN A 25 9.529 -9.651 -16.147 1.00 53.01 H new ATOM 0 HD22 ASN A 25 8.810 -9.172 -14.606 1.00 53.01 H new ATOM 414 N LEU A 26 9.907 -11.466 -10.004 1.00 11.13 N ATOM 415 CA LEU A 26 9.449 -11.714 -8.641 1.00 4.11 C ATOM 416 C LEU A 26 8.730 -10.493 -8.077 1.00 41.32 C ATOM 417 O LEU A 26 8.966 -9.365 -8.511 1.00 62.45 O ATOM 418 CB LEU A 26 10.632 -12.082 -7.744 1.00 25.32 C ATOM 419 CG LEU A 26 11.259 -13.455 -7.990 1.00 21.35 C ATOM 420 CD1 LEU A 26 12.513 -13.325 -8.840 1.00 24.14 C ATOM 421 CD2 LEU A 26 11.577 -14.141 -6.668 1.00 53.35 C ATOM 0 H LEU A 26 10.601 -10.723 -10.087 1.00 11.13 H new ATOM 0 HA LEU A 26 8.746 -12.547 -8.666 1.00 4.11 H new ATOM 0 HB2 LEU A 26 11.406 -11.324 -7.868 1.00 25.32 H new ATOM 0 HB3 LEU A 26 10.303 -12.036 -6.706 1.00 25.32 H new ATOM 0 HG LEU A 26 10.540 -14.069 -8.532 1.00 21.35 H new ATOM 0 HD11 LEU A 26 12.945 -14.312 -9.004 1.00 24.14 H new ATOM 0 HD12 LEU A 26 12.257 -12.876 -9.800 1.00 24.14 H new ATOM 0 HD13 LEU A 26 13.237 -12.693 -8.326 1.00 24.14 H new ATOM 0 HD21 LEU A 26 12.022 -15.117 -6.862 1.00 53.35 H new ATOM 0 HD22 LEU A 26 12.277 -13.529 -6.100 1.00 53.35 H new ATOM 0 HD23 LEU A 26 10.659 -14.269 -6.094 1.00 53.35 H new ATOM 433 N SER A 27 7.853 -10.725 -7.106 1.00 12.01 N ATOM 434 CA SER A 27 7.098 -9.644 -6.483 1.00 73.04 C ATOM 435 C SER A 27 7.592 -9.383 -5.064 1.00 21.32 C ATOM 436 O SER A 27 7.431 -10.221 -4.175 1.00 44.34 O ATOM 437 CB SER A 27 5.606 -9.982 -6.462 1.00 32.32 C ATOM 438 OG SER A 27 4.820 -8.813 -6.314 1.00 53.50 O ATOM 0 H SER A 27 7.648 -11.652 -6.733 1.00 12.01 H new ATOM 0 HA SER A 27 7.251 -8.741 -7.073 1.00 73.04 H new ATOM 0 HB2 SER A 27 5.333 -10.493 -7.385 1.00 32.32 H new ATOM 0 HB3 SER A 27 5.397 -10.670 -5.643 1.00 32.32 H new ATOM 0 HG SER A 27 4.541 -8.492 -7.197 1.00 53.50 H new ATOM 444 N ILE A 28 8.194 -8.217 -4.859 1.00 2.32 N ATOM 445 CA ILE A 28 8.711 -7.845 -3.548 1.00 4.42 C ATOM 446 C ILE A 28 7.582 -7.440 -2.606 1.00 64.00 C ATOM 447 O ILE A 28 6.592 -6.842 -3.028 1.00 42.35 O ATOM 448 CB ILE A 28 9.720 -6.686 -3.649 1.00 45.50 C ATOM 449 CG1 ILE A 28 10.930 -7.105 -4.487 1.00 52.04 C ATOM 450 CG2 ILE A 28 10.159 -6.243 -2.261 1.00 42.53 C ATOM 451 CD1 ILE A 28 11.990 -6.031 -4.599 1.00 34.45 C ATOM 0 H ILE A 28 8.336 -7.513 -5.584 1.00 2.32 H new ATOM 0 HA ILE A 28 9.217 -8.723 -3.148 1.00 4.42 H new ATOM 0 HB ILE A 28 9.234 -5.844 -4.142 1.00 45.50 H new ATOM 0 HG12 ILE A 28 11.374 -7.998 -4.047 1.00 52.04 H new ATOM 0 HG13 ILE A 28 10.592 -7.376 -5.487 1.00 52.04 H new ATOM 0 HG21 ILE A 28 10.872 -5.423 -2.349 1.00 42.53 H new ATOM 0 HG22 ILE A 28 9.290 -5.909 -1.694 1.00 42.53 H new ATOM 0 HG23 ILE A 28 10.630 -7.079 -1.744 1.00 42.53 H new ATOM 0 HD11 ILE A 28 12.817 -6.398 -5.207 1.00 34.45 H new ATOM 0 HD12 ILE A 28 11.562 -5.144 -5.067 1.00 34.45 H new ATOM 0 HD13 ILE A 28 12.356 -5.776 -3.604 1.00 34.45 H new ATOM 463 N CYS A 29 7.739 -7.769 -1.329 1.00 12.24 N ATOM 464 CA CYS A 29 6.733 -7.439 -0.325 1.00 53.24 C ATOM 465 C CYS A 29 7.294 -6.470 0.710 1.00 45.21 C ATOM 466 O CYS A 29 6.635 -5.504 1.093 1.00 41.25 O ATOM 467 CB CYS A 29 6.235 -8.709 0.365 1.00 72.41 C ATOM 468 SG CYS A 29 5.790 -10.042 -0.773 1.00 65.23 S ATOM 0 H CYS A 29 8.553 -8.264 -0.964 1.00 12.24 H new ATOM 0 HA CYS A 29 5.896 -6.957 -0.831 1.00 53.24 H new ATOM 0 HB2 CYS A 29 7.009 -9.068 1.043 1.00 72.41 H new ATOM 0 HB3 CYS A 29 5.366 -8.461 0.975 1.00 72.41 H new ATOM 0 HG CYS A 29 5.057 -10.917 -0.151 1.00 65.23 H new ATOM 474 N ALA A 30 8.516 -6.736 1.160 1.00 21.13 N ATOM 475 CA ALA A 30 9.167 -5.888 2.151 1.00 12.20 C ATOM 476 C ALA A 30 10.676 -6.109 2.157 1.00 54.31 C ATOM 477 O ALA A 30 11.188 -6.985 1.459 1.00 53.51 O ATOM 478 CB ALA A 30 8.587 -6.151 3.533 1.00 5.31 C ATOM 0 H ALA A 30 9.075 -7.532 0.854 1.00 21.13 H new ATOM 0 HA ALA A 30 8.980 -4.848 1.882 1.00 12.20 H new ATOM 0 HB1 ALA A 30 9.082 -5.511 4.263 1.00 5.31 H new ATOM 0 HB2 ALA A 30 7.519 -5.935 3.526 1.00 5.31 H new ATOM 0 HB3 ALA A 30 8.744 -7.196 3.801 1.00 5.31 H new ATOM 484 N HIS A 31 11.383 -5.309 2.949 1.00 41.14 N ATOM 485 CA HIS A 31 12.835 -5.417 3.045 1.00 75.52 C ATOM 486 C HIS A 31 13.264 -5.701 4.481 1.00 0.32 C ATOM 487 O HIS A 31 12.432 -5.772 5.386 1.00 51.41 O ATOM 488 CB HIS A 31 13.497 -4.133 2.546 1.00 64.22 C ATOM 489 CG HIS A 31 13.371 -2.985 3.499 1.00 53.55 C ATOM 490 ND1 HIS A 31 14.458 -2.345 4.055 1.00 1.01 N ATOM 491 CD2 HIS A 31 12.276 -2.360 3.991 1.00 12.33 C ATOM 492 CE1 HIS A 31 14.038 -1.378 4.850 1.00 14.44 C ATOM 493 NE2 HIS A 31 12.717 -1.365 4.829 1.00 60.10 N ATOM 0 H HIS A 31 10.975 -4.579 3.533 1.00 41.14 H new ATOM 0 HA HIS A 31 13.156 -6.249 2.418 1.00 75.52 H new ATOM 0 HB2 HIS A 31 14.554 -4.327 2.361 1.00 64.22 H new ATOM 0 HB3 HIS A 31 13.053 -3.852 1.591 1.00 64.22 H new ATOM 0 HD2 HIS A 31 11.247 -2.599 3.767 1.00 12.33 H new ATOM 0 HE1 HIS A 31 14.667 -0.711 5.420 1.00 14.44 H new ATOM 0 HE2 HIS A 31 12.122 -0.721 5.350 1.00 60.10 H new ATOM 501 N TYR A 32 14.567 -5.862 4.683 1.00 71.42 N ATOM 502 CA TYR A 32 15.106 -6.141 6.008 1.00 24.24 C ATOM 503 C TYR A 32 16.485 -5.510 6.179 1.00 13.15 C ATOM 504 O TYR A 32 17.487 -6.043 5.704 1.00 25.34 O ATOM 505 CB TYR A 32 15.192 -7.651 6.240 1.00 42.30 C ATOM 506 CG TYR A 32 15.265 -8.036 7.700 1.00 25.12 C ATOM 507 CD1 TYR A 32 14.118 -8.099 8.481 1.00 1.11 C ATOM 508 CD2 TYR A 32 16.482 -8.338 8.299 1.00 65.53 C ATOM 509 CE1 TYR A 32 14.181 -8.450 9.816 1.00 54.23 C ATOM 510 CE2 TYR A 32 16.554 -8.692 9.632 1.00 4.24 C ATOM 511 CZ TYR A 32 15.401 -8.746 10.387 1.00 51.43 C ATOM 512 OH TYR A 32 15.467 -9.097 11.715 1.00 2.15 O ATOM 0 H TYR A 32 15.269 -5.804 3.946 1.00 71.42 H new ATOM 0 HA TYR A 32 14.432 -5.705 6.745 1.00 24.24 H new ATOM 0 HB2 TYR A 32 14.322 -8.129 5.790 1.00 42.30 H new ATOM 0 HB3 TYR A 32 16.071 -8.040 5.726 1.00 42.30 H new ATOM 0 HD1 TYR A 32 13.160 -7.870 8.037 1.00 1.11 H new ATOM 0 HD2 TYR A 32 17.387 -8.295 7.712 1.00 65.53 H new ATOM 0 HE1 TYR A 32 13.280 -8.492 10.409 1.00 54.23 H new ATOM 0 HE2 TYR A 32 17.508 -8.925 10.081 1.00 4.24 H new ATOM 0 HH TYR A 32 16.371 -9.413 11.925 1.00 2.15 H new ATOM 522 N ASP A 33 16.526 -4.371 6.862 1.00 52.11 N ATOM 523 CA ASP A 33 17.780 -3.666 7.098 1.00 24.15 C ATOM 524 C ASP A 33 18.441 -3.275 5.780 1.00 21.42 C ATOM 525 O ASP A 33 19.633 -2.968 5.738 1.00 33.44 O ATOM 526 CB ASP A 33 18.731 -4.536 7.922 1.00 64.22 C ATOM 527 CG ASP A 33 20.042 -3.836 8.223 1.00 61.31 C ATOM 528 OD1 ASP A 33 20.053 -2.588 8.265 1.00 54.02 O ATOM 529 OD2 ASP A 33 21.057 -4.537 8.417 1.00 2.25 O ATOM 0 H ASP A 33 15.705 -3.917 7.262 1.00 52.11 H new ATOM 0 HA ASP A 33 17.557 -2.756 7.655 1.00 24.15 H new ATOM 0 HB2 ASP A 33 18.247 -4.812 8.859 1.00 64.22 H new ATOM 0 HB3 ASP A 33 18.932 -5.461 7.382 1.00 64.22 H new ATOM 534 N TYR A 34 17.660 -3.290 4.706 1.00 61.32 N ATOM 535 CA TYR A 34 18.170 -2.941 3.385 1.00 21.03 C ATOM 536 C TYR A 34 19.242 -3.929 2.936 1.00 22.44 C ATOM 537 O TYR A 34 20.150 -3.577 2.184 1.00 1.04 O ATOM 538 CB TYR A 34 18.741 -1.522 3.395 1.00 51.12 C ATOM 539 CG TYR A 34 17.790 -0.491 3.959 1.00 1.34 C ATOM 540 CD1 TYR A 34 17.739 -0.238 5.325 1.00 54.25 C ATOM 541 CD2 TYR A 34 16.944 0.232 3.127 1.00 72.30 C ATOM 542 CE1 TYR A 34 16.871 0.703 5.844 1.00 31.15 C ATOM 543 CE2 TYR A 34 16.074 1.175 3.638 1.00 11.40 C ATOM 544 CZ TYR A 34 16.041 1.407 4.997 1.00 12.03 C ATOM 545 OH TYR A 34 15.176 2.346 5.511 1.00 20.03 O ATOM 0 H TYR A 34 16.671 -3.540 4.724 1.00 61.32 H new ATOM 0 HA TYR A 34 17.341 -2.987 2.679 1.00 21.03 H new ATOM 0 HB2 TYR A 34 19.661 -1.514 3.979 1.00 51.12 H new ATOM 0 HB3 TYR A 34 19.008 -1.239 2.377 1.00 51.12 H new ATOM 0 HD1 TYR A 34 18.389 -0.786 5.991 1.00 54.25 H new ATOM 0 HD2 TYR A 34 16.967 0.053 2.062 1.00 72.30 H new ATOM 0 HE1 TYR A 34 16.843 0.886 6.908 1.00 31.15 H new ATOM 0 HE2 TYR A 34 15.423 1.728 2.977 1.00 11.40 H new ATOM 0 HH TYR A 34 14.663 2.752 4.781 1.00 20.03 H new ATOM 555 N GLU A 35 19.128 -5.169 3.404 1.00 42.33 N ATOM 556 CA GLU A 35 20.087 -6.209 3.051 1.00 45.32 C ATOM 557 C GLU A 35 19.372 -7.478 2.597 1.00 12.21 C ATOM 558 O GLU A 35 20.009 -8.463 2.225 1.00 22.13 O ATOM 559 CB GLU A 35 20.996 -6.520 4.242 1.00 64.54 C ATOM 560 CG GLU A 35 20.289 -6.443 5.584 1.00 32.10 C ATOM 561 CD GLU A 35 21.208 -6.763 6.747 1.00 34.21 C ATOM 562 OE1 GLU A 35 22.410 -6.437 6.661 1.00 31.42 O ATOM 563 OE2 GLU A 35 20.723 -7.340 7.744 1.00 43.34 O ATOM 0 H GLU A 35 18.382 -5.477 4.028 1.00 42.33 H new ATOM 0 HA GLU A 35 20.695 -5.841 2.225 1.00 45.32 H new ATOM 0 HB2 GLU A 35 21.414 -7.519 4.118 1.00 64.54 H new ATOM 0 HB3 GLU A 35 21.833 -5.822 4.241 1.00 64.54 H new ATOM 0 HG2 GLU A 35 19.877 -5.443 5.716 1.00 32.10 H new ATOM 0 HG3 GLU A 35 19.449 -7.137 5.588 1.00 32.10 H new ATOM 570 N TRP A 36 18.045 -7.445 2.631 1.00 34.55 N ATOM 571 CA TRP A 36 17.242 -8.593 2.225 1.00 74.14 C ATOM 572 C TRP A 36 15.875 -8.148 1.715 1.00 21.14 C ATOM 573 O TRP A 36 15.223 -7.297 2.321 1.00 42.13 O ATOM 574 CB TRP A 36 17.072 -9.564 3.395 1.00 44.44 C ATOM 575 CG TRP A 36 18.374 -10.072 3.937 1.00 35.42 C ATOM 576 CD1 TRP A 36 18.992 -9.676 5.089 1.00 62.45 C ATOM 577 CD2 TRP A 36 19.216 -11.070 3.349 1.00 11.33 C ATOM 578 NE1 TRP A 36 20.169 -10.368 5.252 1.00 54.43 N ATOM 579 CE2 TRP A 36 20.328 -11.229 4.199 1.00 62.02 C ATOM 580 CE3 TRP A 36 19.138 -11.845 2.189 1.00 31.14 C ATOM 581 CZ2 TRP A 36 21.353 -12.131 3.922 1.00 15.42 C ATOM 582 CZ3 TRP A 36 20.155 -12.739 1.916 1.00 24.22 C ATOM 583 CH2 TRP A 36 21.250 -12.877 2.780 1.00 44.33 C ATOM 0 H TRP A 36 17.502 -6.637 2.935 1.00 34.55 H new ATOM 0 HA TRP A 36 17.764 -9.101 1.414 1.00 74.14 H new ATOM 0 HB2 TRP A 36 16.523 -9.066 4.194 1.00 44.44 H new ATOM 0 HB3 TRP A 36 16.466 -10.410 3.071 1.00 44.44 H new ATOM 0 HD1 TRP A 36 18.612 -8.930 5.771 1.00 62.45 H new ATOM 0 HE1 TRP A 36 20.818 -10.258 6.031 1.00 54.43 H new ATOM 0 HE3 TRP A 36 18.298 -11.747 1.518 1.00 31.14 H new ATOM 0 HZ2 TRP A 36 22.199 -12.237 4.585 1.00 15.42 H new ATOM 0 HZ3 TRP A 36 20.106 -13.342 1.021 1.00 24.22 H new ATOM 0 HH2 TRP A 36 22.028 -13.586 2.539 1.00 44.33 H new ATOM 594 N PHE A 37 15.446 -8.729 0.600 1.00 43.14 N ATOM 595 CA PHE A 37 14.157 -8.391 0.009 1.00 74.02 C ATOM 596 C PHE A 37 13.271 -9.628 -0.107 1.00 15.13 C ATOM 597 O PHE A 37 13.705 -10.672 -0.593 1.00 60.34 O ATOM 598 CB PHE A 37 14.354 -7.760 -1.371 1.00 75.12 C ATOM 599 CG PHE A 37 14.152 -6.272 -1.384 1.00 52.22 C ATOM 600 CD1 PHE A 37 12.984 -5.713 -0.890 1.00 70.34 C ATOM 601 CD2 PHE A 37 15.130 -5.431 -1.891 1.00 30.32 C ATOM 602 CE1 PHE A 37 12.795 -4.344 -0.901 1.00 23.05 C ATOM 603 CE2 PHE A 37 14.947 -4.061 -1.903 1.00 61.42 C ATOM 604 CZ PHE A 37 13.778 -3.517 -1.409 1.00 31.24 C ATOM 0 H PHE A 37 15.972 -9.436 0.087 1.00 43.14 H new ATOM 0 HA PHE A 37 13.663 -7.672 0.663 1.00 74.02 H new ATOM 0 HB2 PHE A 37 15.360 -7.985 -1.724 1.00 75.12 H new ATOM 0 HB3 PHE A 37 13.659 -8.219 -2.074 1.00 75.12 H new ATOM 0 HD1 PHE A 37 12.212 -6.355 -0.492 1.00 70.34 H new ATOM 0 HD2 PHE A 37 16.045 -5.851 -2.281 1.00 30.32 H new ATOM 0 HE1 PHE A 37 11.880 -3.921 -0.513 1.00 23.05 H new ATOM 0 HE2 PHE A 37 15.718 -3.416 -2.299 1.00 61.42 H new ATOM 0 HZ PHE A 37 13.632 -2.447 -1.420 1.00 31.24 H new ATOM 614 N ILE A 38 12.027 -9.502 0.345 1.00 42.25 N ATOM 615 CA ILE A 38 11.080 -10.608 0.292 1.00 71.35 C ATOM 616 C ILE A 38 10.349 -10.643 -1.046 1.00 51.43 C ATOM 617 O ILE A 38 9.338 -9.966 -1.230 1.00 52.32 O ATOM 618 CB ILE A 38 10.044 -10.517 1.428 1.00 70.44 C ATOM 619 CG1 ILE A 38 10.721 -10.090 2.732 1.00 71.15 C ATOM 620 CG2 ILE A 38 9.334 -11.851 1.605 1.00 24.42 C ATOM 621 CD1 ILE A 38 11.855 -11.000 3.150 1.00 13.30 C ATOM 0 H ILE A 38 11.652 -8.645 0.752 1.00 42.25 H new ATOM 0 HA ILE A 38 11.658 -11.524 0.411 1.00 71.35 H new ATOM 0 HB ILE A 38 9.301 -9.765 1.163 1.00 70.44 H new ATOM 0 HG12 ILE A 38 11.103 -9.075 2.618 1.00 71.15 H new ATOM 0 HG13 ILE A 38 9.976 -10.063 3.527 1.00 71.15 H new ATOM 0 HG21 ILE A 38 8.605 -11.771 2.411 1.00 24.42 H new ATOM 0 HG22 ILE A 38 8.824 -12.117 0.679 1.00 24.42 H new ATOM 0 HG23 ILE A 38 10.064 -12.622 1.851 1.00 24.42 H new ATOM 0 HD11 ILE A 38 12.288 -10.637 4.082 1.00 13.30 H new ATOM 0 HD12 ILE A 38 11.475 -12.011 3.296 1.00 13.30 H new ATOM 0 HD13 ILE A 38 12.620 -11.008 2.373 1.00 13.30 H new ATOM 633 N ALA A 39 10.867 -11.437 -1.977 1.00 70.22 N ATOM 634 CA ALA A 39 10.262 -11.563 -3.297 1.00 74.21 C ATOM 635 C ALA A 39 9.650 -12.947 -3.491 1.00 1.32 C ATOM 636 O ALA A 39 10.231 -13.955 -3.089 1.00 74.43 O ATOM 637 CB ALA A 39 11.293 -11.284 -4.380 1.00 4.21 C ATOM 0 H ALA A 39 11.705 -12.003 -1.841 1.00 70.22 H new ATOM 0 HA ALA A 39 9.462 -10.826 -3.374 1.00 74.21 H new ATOM 0 HB1 ALA A 39 10.827 -11.382 -5.360 1.00 4.21 H new ATOM 0 HB2 ALA A 39 11.680 -10.272 -4.262 1.00 4.21 H new ATOM 0 HB3 ALA A 39 12.112 -11.998 -4.295 1.00 4.21 H new ATOM 643 N LYS A 40 8.474 -12.987 -4.108 1.00 61.50 N ATOM 644 CA LYS A 40 7.783 -14.247 -4.356 1.00 30.10 C ATOM 645 C LYS A 40 7.723 -14.550 -5.850 1.00 23.13 C ATOM 646 O LYS A 40 7.755 -13.652 -6.691 1.00 65.25 O ATOM 647 CB LYS A 40 6.367 -14.198 -3.778 1.00 31.02 C ATOM 648 CG LYS A 40 5.405 -13.355 -4.596 1.00 54.23 C ATOM 649 CD LYS A 40 4.005 -13.373 -4.004 1.00 43.33 C ATOM 650 CE LYS A 40 3.112 -12.327 -4.654 1.00 72.32 C ATOM 651 NZ LYS A 40 1.824 -12.167 -3.924 1.00 2.34 N ATOM 0 H LYS A 40 7.979 -12.161 -4.446 1.00 61.50 H new ATOM 0 HA LYS A 40 8.343 -15.042 -3.864 1.00 30.10 H new ATOM 0 HB2 LYS A 40 5.977 -15.213 -3.707 1.00 31.02 H new ATOM 0 HB3 LYS A 40 6.411 -13.802 -2.763 1.00 31.02 H new ATOM 0 HG2 LYS A 40 5.768 -12.328 -4.642 1.00 54.23 H new ATOM 0 HG3 LYS A 40 5.373 -13.728 -5.620 1.00 54.23 H new ATOM 0 HD2 LYS A 40 3.565 -14.362 -4.137 1.00 43.33 H new ATOM 0 HD3 LYS A 40 4.060 -13.190 -2.931 1.00 43.33 H new ATOM 0 HE2 LYS A 40 3.634 -11.371 -4.683 1.00 72.32 H new ATOM 0 HE3 LYS A 40 2.911 -12.612 -5.687 1.00 72.32 H new ATOM 0 HZ1 LYS A 40 1.244 -11.446 -4.398 1.00 2.34 H new ATOM 0 HZ2 LYS A 40 1.313 -13.073 -3.918 1.00 2.34 H new ATOM 0 HZ3 LYS A 40 2.014 -11.870 -2.945 1.00 2.34 H new ATOM 665 N PRO A 41 7.633 -15.845 -6.189 1.00 12.33 N ATOM 666 CA PRO A 41 7.564 -16.295 -7.582 1.00 65.30 C ATOM 667 C PRO A 41 6.242 -15.928 -8.246 1.00 12.21 C ATOM 668 O PRO A 41 5.175 -16.351 -7.801 1.00 34.14 O ATOM 669 CB PRO A 41 7.703 -17.816 -7.470 1.00 55.43 C ATOM 670 CG PRO A 41 7.214 -18.141 -6.101 1.00 53.21 C ATOM 671 CD PRO A 41 7.590 -16.968 -5.238 1.00 34.31 C ATOM 0 HA PRO A 41 8.330 -15.827 -8.200 1.00 65.30 H new ATOM 0 HB2 PRO A 41 7.113 -18.325 -8.232 1.00 55.43 H new ATOM 0 HB3 PRO A 41 8.738 -18.130 -7.606 1.00 55.43 H new ATOM 0 HG2 PRO A 41 6.135 -18.297 -6.099 1.00 53.21 H new ATOM 0 HG3 PRO A 41 7.670 -19.060 -5.731 1.00 53.21 H new ATOM 0 HD2 PRO A 41 6.857 -16.798 -4.449 1.00 34.31 H new ATOM 0 HD3 PRO A 41 8.553 -17.120 -4.751 1.00 34.31 H new ATOM 679 N ILE A 42 6.319 -15.139 -9.312 1.00 64.03 N ATOM 680 CA ILE A 42 5.128 -14.717 -10.038 1.00 12.42 C ATOM 681 C ILE A 42 4.614 -15.829 -10.946 1.00 43.41 C ATOM 682 O ILE A 42 3.456 -15.820 -11.361 1.00 43.31 O ATOM 683 CB ILE A 42 5.401 -13.461 -10.886 1.00 41.15 C ATOM 684 CG1 ILE A 42 5.946 -12.333 -10.007 1.00 72.24 C ATOM 685 CG2 ILE A 42 4.133 -13.018 -11.600 1.00 53.23 C ATOM 686 CD1 ILE A 42 6.343 -11.098 -10.786 1.00 33.32 C ATOM 0 H ILE A 42 7.194 -14.779 -9.692 1.00 64.03 H new ATOM 0 HA ILE A 42 4.370 -14.483 -9.291 1.00 12.42 H new ATOM 0 HB ILE A 42 6.152 -13.705 -11.638 1.00 41.15 H new ATOM 0 HG12 ILE A 42 5.191 -12.061 -9.270 1.00 72.24 H new ATOM 0 HG13 ILE A 42 6.812 -12.699 -9.456 1.00 72.24 H new ATOM 0 HG21 ILE A 42 4.342 -12.129 -12.195 1.00 53.23 H new ATOM 0 HG22 ILE A 42 3.785 -13.818 -12.253 1.00 53.23 H new ATOM 0 HG23 ILE A 42 3.362 -12.789 -10.864 1.00 53.23 H new ATOM 0 HD11 ILE A 42 6.720 -10.340 -10.099 1.00 33.32 H new ATOM 0 HD12 ILE A 42 7.121 -11.356 -11.505 1.00 33.32 H new ATOM 0 HD13 ILE A 42 5.474 -10.707 -11.316 1.00 33.32 H new ATOM 769 N PRO A 47 6.424 -16.693 -1.151 1.00 21.02 N ATOM 770 CA PRO A 47 7.304 -15.637 -0.641 1.00 51.13 C ATOM 771 C PRO A 47 8.359 -16.175 0.319 1.00 0.43 C ATOM 772 O PRO A 47 8.059 -16.500 1.467 1.00 22.40 O ATOM 773 CB PRO A 47 6.343 -14.697 0.091 1.00 32.43 C ATOM 774 CG PRO A 47 5.191 -15.560 0.477 1.00 54.52 C ATOM 775 CD PRO A 47 5.057 -16.584 -0.615 1.00 73.44 C ATOM 0 HA PRO A 47 7.867 -15.155 -1.440 1.00 51.13 H new ATOM 0 HB2 PRO A 47 6.815 -14.251 0.967 1.00 32.43 H new ATOM 0 HB3 PRO A 47 6.025 -13.876 -0.552 1.00 32.43 H new ATOM 0 HG2 PRO A 47 5.367 -16.038 1.441 1.00 54.52 H new ATOM 0 HG3 PRO A 47 4.278 -14.972 0.575 1.00 54.52 H new ATOM 0 HD2 PRO A 47 4.700 -17.539 -0.229 1.00 73.44 H new ATOM 0 HD3 PRO A 47 4.350 -16.265 -1.380 1.00 73.44 H new ATOM 783 N GLY A 48 9.597 -16.264 -0.158 1.00 72.51 N ATOM 784 CA GLY A 48 10.678 -16.763 0.672 1.00 33.00 C ATOM 785 C GLY A 48 11.604 -15.659 1.142 1.00 20.24 C ATOM 786 O GLY A 48 11.247 -14.870 2.018 1.00 23.24 O ATOM 0 H GLY A 48 9.871 -15.999 -1.104 1.00 72.51 H new ATOM 0 HA2 GLY A 48 10.260 -17.276 1.538 1.00 33.00 H new ATOM 0 HA3 GLY A 48 11.252 -17.501 0.111 1.00 33.00 H new ATOM 790 N LEU A 49 12.797 -15.603 0.561 1.00 3.04 N ATOM 791 CA LEU A 49 13.779 -14.588 0.927 1.00 24.13 C ATOM 792 C LEU A 49 14.872 -14.480 -0.132 1.00 34.40 C ATOM 793 O LEU A 49 15.521 -15.469 -0.472 1.00 24.33 O ATOM 794 CB LEU A 49 14.401 -14.918 2.285 1.00 20.15 C ATOM 795 CG LEU A 49 14.795 -13.721 3.152 1.00 35.30 C ATOM 796 CD1 LEU A 49 14.892 -14.130 4.614 1.00 42.23 C ATOM 797 CD2 LEU A 49 16.111 -13.126 2.674 1.00 72.25 C ATOM 0 H LEU A 49 13.108 -16.248 -0.165 1.00 3.04 H new ATOM 0 HA LEU A 49 13.266 -13.629 0.992 1.00 24.13 H new ATOM 0 HB2 LEU A 49 13.695 -15.531 2.846 1.00 20.15 H new ATOM 0 HB3 LEU A 49 15.289 -15.527 2.117 1.00 20.15 H new ATOM 0 HG LEU A 49 14.021 -12.959 3.060 1.00 35.30 H new ATOM 0 HD11 LEU A 49 15.173 -13.266 5.216 1.00 42.23 H new ATOM 0 HD12 LEU A 49 13.927 -14.508 4.951 1.00 42.23 H new ATOM 0 HD13 LEU A 49 15.646 -14.910 4.724 1.00 42.23 H new ATOM 0 HD21 LEU A 49 16.375 -12.276 3.302 1.00 72.25 H new ATOM 0 HD22 LEU A 49 16.895 -13.881 2.736 1.00 72.25 H new ATOM 0 HD23 LEU A 49 16.007 -12.795 1.641 1.00 72.25 H new ATOM 809 N VAL A 50 15.070 -13.272 -0.649 1.00 70.13 N ATOM 810 CA VAL A 50 16.086 -13.034 -1.668 1.00 11.24 C ATOM 811 C VAL A 50 16.846 -11.741 -1.393 1.00 63.24 C ATOM 812 O VAL A 50 16.262 -10.699 -1.097 1.00 52.22 O ATOM 813 CB VAL A 50 15.464 -12.962 -3.075 1.00 21.11 C ATOM 814 CG1 VAL A 50 14.406 -11.871 -3.136 1.00 72.23 C ATOM 815 CG2 VAL A 50 16.543 -12.730 -4.122 1.00 54.42 C ATOM 0 H VAL A 50 14.541 -12.443 -0.379 1.00 70.13 H new ATOM 0 HA VAL A 50 16.778 -13.875 -1.628 1.00 11.24 H new ATOM 0 HB VAL A 50 14.980 -13.915 -3.290 1.00 21.11 H new ATOM 0 HG11 VAL A 50 13.978 -11.835 -4.138 1.00 72.23 H new ATOM 0 HG12 VAL A 50 13.620 -12.086 -2.413 1.00 72.23 H new ATOM 0 HG13 VAL A 50 14.862 -10.909 -2.901 1.00 72.23 H new ATOM 0 HG21 VAL A 50 16.086 -12.682 -5.111 1.00 54.42 H new ATOM 0 HG22 VAL A 50 17.057 -11.792 -3.913 1.00 54.42 H new ATOM 0 HG23 VAL A 50 17.260 -13.550 -4.093 1.00 54.42 H new ATOM 825 N PRO A 51 18.182 -11.808 -1.494 1.00 41.23 N ATOM 826 CA PRO A 51 19.052 -10.651 -1.262 1.00 21.00 C ATOM 827 C PRO A 51 18.924 -9.600 -2.359 1.00 13.42 C ATOM 828 O PRO A 51 18.570 -9.914 -3.495 1.00 53.54 O ATOM 829 CB PRO A 51 20.457 -11.258 -1.265 1.00 4.11 C ATOM 830 CG PRO A 51 20.335 -12.494 -2.087 1.00 75.02 C ATOM 831 CD PRO A 51 18.946 -13.017 -1.843 1.00 60.34 C ATOM 0 HA PRO A 51 18.799 -10.130 -0.339 1.00 21.00 H new ATOM 0 HB2 PRO A 51 21.185 -10.569 -1.693 1.00 4.11 H new ATOM 0 HB3 PRO A 51 20.791 -11.487 -0.253 1.00 4.11 H new ATOM 0 HG2 PRO A 51 20.490 -12.277 -3.144 1.00 75.02 H new ATOM 0 HG3 PRO A 51 21.086 -13.230 -1.799 1.00 75.02 H new ATOM 0 HD2 PRO A 51 18.540 -13.507 -2.728 1.00 60.34 H new ATOM 0 HD3 PRO A 51 18.929 -13.750 -1.036 1.00 60.34 H new ATOM 839 N VAL A 52 19.214 -8.350 -2.011 1.00 40.22 N ATOM 840 CA VAL A 52 19.133 -7.252 -2.967 1.00 55.20 C ATOM 841 C VAL A 52 20.275 -7.315 -3.975 1.00 12.53 C ATOM 842 O VAL A 52 20.190 -6.743 -5.061 1.00 54.35 O ATOM 843 CB VAL A 52 19.164 -5.886 -2.256 1.00 52.45 C ATOM 844 CG1 VAL A 52 18.718 -4.781 -3.203 1.00 32.25 C ATOM 845 CG2 VAL A 52 18.293 -5.914 -1.009 1.00 64.32 C ATOM 0 H VAL A 52 19.507 -8.073 -1.074 1.00 40.22 H new ATOM 0 HA VAL A 52 18.184 -7.358 -3.492 1.00 55.20 H new ATOM 0 HB VAL A 52 20.189 -5.678 -1.950 1.00 52.45 H new ATOM 0 HG11 VAL A 52 18.746 -3.823 -2.683 1.00 32.25 H new ATOM 0 HG12 VAL A 52 19.387 -4.747 -4.063 1.00 32.25 H new ATOM 0 HG13 VAL A 52 17.701 -4.980 -3.542 1.00 32.25 H new ATOM 0 HG21 VAL A 52 18.327 -4.941 -0.520 1.00 64.32 H new ATOM 0 HG22 VAL A 52 17.265 -6.144 -1.288 1.00 64.32 H new ATOM 0 HG23 VAL A 52 18.662 -6.677 -0.324 1.00 64.32 H new ATOM 855 N SER A 53 21.344 -8.014 -3.607 1.00 14.33 N ATOM 856 CA SER A 53 22.506 -8.149 -4.477 1.00 54.13 C ATOM 857 C SER A 53 22.239 -9.163 -5.586 1.00 12.42 C ATOM 858 O SER A 53 23.082 -9.385 -6.455 1.00 71.11 O ATOM 859 CB SER A 53 23.731 -8.574 -3.666 1.00 33.34 C ATOM 860 OG SER A 53 23.929 -7.717 -2.555 1.00 4.01 O ATOM 0 H SER A 53 21.429 -8.496 -2.712 1.00 14.33 H new ATOM 0 HA SER A 53 22.701 -7.179 -4.934 1.00 54.13 H new ATOM 0 HB2 SER A 53 23.604 -9.600 -3.320 1.00 33.34 H new ATOM 0 HB3 SER A 53 24.616 -8.560 -4.303 1.00 33.34 H new ATOM 0 HG SER A 53 24.717 -8.011 -2.052 1.00 4.01 H new ATOM 866 N TYR A 54 21.060 -9.774 -5.548 1.00 64.30 N ATOM 867 CA TYR A 54 20.682 -10.767 -6.547 1.00 51.41 C ATOM 868 C TYR A 54 19.334 -10.422 -7.174 1.00 21.45 C ATOM 869 O TYR A 54 18.643 -11.292 -7.705 1.00 50.40 O ATOM 870 CB TYR A 54 20.623 -12.159 -5.917 1.00 22.03 C ATOM 871 CG TYR A 54 21.979 -12.709 -5.535 1.00 1.40 C ATOM 872 CD1 TYR A 54 22.671 -12.206 -4.439 1.00 54.05 C ATOM 873 CD2 TYR A 54 22.569 -13.729 -6.270 1.00 21.31 C ATOM 874 CE1 TYR A 54 23.910 -12.704 -4.087 1.00 60.42 C ATOM 875 CE2 TYR A 54 23.807 -14.235 -5.924 1.00 43.21 C ATOM 876 CZ TYR A 54 24.474 -13.719 -4.832 1.00 51.03 C ATOM 877 OH TYR A 54 25.708 -14.219 -4.485 1.00 42.24 O ATOM 0 H TYR A 54 20.350 -9.599 -4.837 1.00 64.30 H new ATOM 0 HA TYR A 54 21.439 -10.763 -7.331 1.00 51.41 H new ATOM 0 HB2 TYR A 54 19.993 -12.120 -5.029 1.00 22.03 H new ATOM 0 HB3 TYR A 54 20.146 -12.845 -6.617 1.00 22.03 H new ATOM 0 HD1 TYR A 54 22.232 -11.412 -3.853 1.00 54.05 H new ATOM 0 HD2 TYR A 54 22.051 -14.134 -7.127 1.00 21.31 H new ATOM 0 HE1 TYR A 54 24.435 -12.301 -3.233 1.00 60.42 H new ATOM 0 HE2 TYR A 54 24.250 -15.030 -6.505 1.00 43.21 H new ATOM 0 HH TYR A 54 25.961 -14.930 -5.111 1.00 42.24 H new ATOM 887 N VAL A 55 18.967 -9.147 -7.107 1.00 54.42 N ATOM 888 CA VAL A 55 17.703 -8.685 -7.669 1.00 12.13 C ATOM 889 C VAL A 55 17.815 -7.249 -8.168 1.00 44.13 C ATOM 890 O VAL A 55 18.747 -6.528 -7.811 1.00 10.22 O ATOM 891 CB VAL A 55 16.565 -8.769 -6.634 1.00 72.22 C ATOM 892 CG1 VAL A 55 16.504 -10.159 -6.019 1.00 5.25 C ATOM 893 CG2 VAL A 55 16.743 -7.708 -5.559 1.00 2.10 C ATOM 0 H VAL A 55 19.527 -8.415 -6.669 1.00 54.42 H new ATOM 0 HA VAL A 55 17.471 -9.341 -8.508 1.00 12.13 H new ATOM 0 HB VAL A 55 15.620 -8.582 -7.143 1.00 72.22 H new ATOM 0 HG11 VAL A 55 15.694 -10.199 -5.290 1.00 5.25 H new ATOM 0 HG12 VAL A 55 16.325 -10.896 -6.802 1.00 5.25 H new ATOM 0 HG13 VAL A 55 17.449 -10.379 -5.523 1.00 5.25 H new ATOM 0 HG21 VAL A 55 15.930 -7.782 -4.837 1.00 2.10 H new ATOM 0 HG22 VAL A 55 17.695 -7.861 -5.051 1.00 2.10 H new ATOM 0 HG23 VAL A 55 16.731 -6.719 -6.018 1.00 2.10 H new ATOM 903 N ARG A 56 16.860 -6.840 -8.997 1.00 10.35 N ATOM 904 CA ARG A 56 16.852 -5.489 -9.546 1.00 60.42 C ATOM 905 C ARG A 56 15.483 -4.839 -9.371 1.00 73.33 C ATOM 906 O ARG A 56 14.480 -5.332 -9.889 1.00 61.12 O ATOM 907 CB ARG A 56 17.230 -5.517 -11.028 1.00 72.04 C ATOM 908 CG ARG A 56 17.001 -4.193 -11.740 1.00 22.51 C ATOM 909 CD ARG A 56 17.609 -4.198 -13.134 1.00 22.13 C ATOM 910 NE ARG A 56 19.005 -3.768 -13.124 1.00 12.45 N ATOM 911 CZ ARG A 56 19.866 -4.043 -14.097 1.00 31.13 C ATOM 912 NH1 ARG A 56 19.476 -4.744 -15.152 1.00 63.43 N ATOM 913 NH2 ARG A 56 21.120 -3.616 -14.015 1.00 73.43 N ATOM 0 H ARG A 56 16.082 -7.424 -9.303 1.00 10.35 H new ATOM 0 HA ARG A 56 17.588 -4.897 -9.001 1.00 60.42 H new ATOM 0 HB2 ARG A 56 18.280 -5.793 -11.121 1.00 72.04 H new ATOM 0 HB3 ARG A 56 16.651 -6.294 -11.527 1.00 72.04 H new ATOM 0 HG2 ARG A 56 15.931 -3.996 -11.809 1.00 22.51 H new ATOM 0 HG3 ARG A 56 17.437 -3.384 -11.155 1.00 22.51 H new ATOM 0 HD2 ARG A 56 17.542 -5.201 -13.555 1.00 22.13 H new ATOM 0 HD3 ARG A 56 17.032 -3.540 -13.784 1.00 22.13 H new ATOM 0 HE ARG A 56 19.337 -3.227 -12.326 1.00 12.45 H new ATOM 0 HH11 ARG A 56 18.513 -5.073 -15.218 1.00 63.43 H new ATOM 0 HH12 ARG A 56 20.139 -4.954 -15.898 1.00 63.43 H new ATOM 0 HH21 ARG A 56 21.423 -3.076 -13.204 1.00 73.43 H new ATOM 0 HH22 ARG A 56 21.781 -3.828 -14.763 1.00 73.43 H new ATOM 927 N ILE A 57 15.449 -3.731 -8.638 1.00 72.54 N ATOM 928 CA ILE A 57 14.203 -3.014 -8.396 1.00 63.30 C ATOM 929 C ILE A 57 13.702 -2.337 -9.667 1.00 65.23 C ATOM 930 O ILE A 57 14.283 -1.355 -10.129 1.00 44.43 O ATOM 931 CB ILE A 57 14.371 -1.952 -7.294 1.00 13.23 C ATOM 932 CG1 ILE A 57 14.865 -2.602 -6.000 1.00 2.53 C ATOM 933 CG2 ILE A 57 13.057 -1.222 -7.058 1.00 11.22 C ATOM 934 CD1 ILE A 57 13.879 -3.579 -5.399 1.00 64.24 C ATOM 0 H ILE A 57 16.270 -3.311 -8.202 1.00 72.54 H new ATOM 0 HA ILE A 57 13.472 -3.753 -8.069 1.00 63.30 H new ATOM 0 HB ILE A 57 15.115 -1.225 -7.620 1.00 13.23 H new ATOM 0 HG12 ILE A 57 15.803 -3.121 -6.199 1.00 2.53 H new ATOM 0 HG13 ILE A 57 15.081 -1.821 -5.270 1.00 2.53 H new ATOM 0 HG21 ILE A 57 13.191 -0.474 -6.276 1.00 11.22 H new ATOM 0 HG22 ILE A 57 12.743 -0.731 -7.979 1.00 11.22 H new ATOM 0 HG23 ILE A 57 12.294 -1.937 -6.749 1.00 11.22 H new ATOM 0 HD11 ILE A 57 14.296 -4.001 -4.484 1.00 64.24 H new ATOM 0 HD12 ILE A 57 12.948 -3.061 -5.168 1.00 64.24 H new ATOM 0 HD13 ILE A 57 13.681 -4.380 -6.111 1.00 64.24 H new ATOM 946 N ILE A 58 12.621 -2.868 -10.227 1.00 15.12 N ATOM 947 CA ILE A 58 12.040 -2.313 -11.443 1.00 53.20 C ATOM 948 C ILE A 58 10.525 -2.189 -11.322 1.00 33.20 C ATOM 949 O ILE A 58 9.847 -3.125 -10.896 1.00 43.20 O ATOM 950 CB ILE A 58 12.376 -3.177 -12.673 1.00 3.22 C ATOM 951 CG1 ILE A 58 12.032 -4.643 -12.403 1.00 23.02 C ATOM 952 CG2 ILE A 58 13.846 -3.030 -13.037 1.00 23.34 C ATOM 953 CD1 ILE A 58 11.310 -5.315 -13.549 1.00 73.12 C ATOM 0 H ILE A 58 12.130 -3.682 -9.858 1.00 15.12 H new ATOM 0 HA ILE A 58 12.474 -1.322 -11.576 1.00 53.20 H new ATOM 0 HB ILE A 58 11.777 -2.833 -13.516 1.00 3.22 H new ATOM 0 HG12 ILE A 58 12.951 -5.190 -12.192 1.00 23.02 H new ATOM 0 HG13 ILE A 58 11.412 -4.704 -11.508 1.00 23.02 H new ATOM 0 HG21 ILE A 58 14.069 -3.646 -13.908 1.00 23.34 H new ATOM 0 HG22 ILE A 58 14.061 -1.986 -13.266 1.00 23.34 H new ATOM 0 HG23 ILE A 58 14.463 -3.352 -12.198 1.00 23.34 H new ATOM 0 HD11 ILE A 58 11.098 -6.352 -13.288 1.00 73.12 H new ATOM 0 HD12 ILE A 58 10.374 -4.792 -13.746 1.00 73.12 H new ATOM 0 HD13 ILE A 58 11.936 -5.286 -14.441 1.00 73.12 H new ATOM 965 N ASP A 59 9.999 -1.029 -11.701 1.00 22.51 N ATOM 966 CA ASP A 59 8.563 -0.784 -11.638 1.00 2.31 C ATOM 967 C ASP A 59 7.818 -1.659 -12.641 1.00 14.42 C ATOM 968 O ASP A 59 8.322 -1.944 -13.728 1.00 23.15 O ATOM 969 CB ASP A 59 8.264 0.692 -11.908 1.00 63.32 C ATOM 970 CG ASP A 59 6.999 1.162 -11.218 1.00 1.11 C ATOM 971 OD1 ASP A 59 6.306 0.319 -10.609 1.00 44.45 O ATOM 972 OD2 ASP A 59 6.702 2.373 -11.285 1.00 61.14 O ATOM 0 H ASP A 59 10.546 -0.244 -12.055 1.00 22.51 H new ATOM 0 HA ASP A 59 8.219 -1.039 -10.636 1.00 2.31 H new ATOM 0 HB2 ASP A 59 9.105 1.298 -11.570 1.00 63.32 H new ATOM 0 HB3 ASP A 59 8.168 0.850 -12.982 1.00 63.32 H new ATOM 977 N LEU A 60 6.615 -2.082 -12.269 1.00 34.11 N ATOM 978 CA LEU A 60 5.799 -2.926 -13.135 1.00 40.05 C ATOM 979 C LEU A 60 5.266 -2.132 -14.324 1.00 2.01 C ATOM 980 O LEU A 60 5.167 -2.651 -15.435 1.00 73.12 O ATOM 981 CB LEU A 60 4.635 -3.527 -12.346 1.00 31.10 C ATOM 982 CG LEU A 60 4.331 -5.001 -12.616 1.00 23.34 C ATOM 983 CD1 LEU A 60 3.112 -5.449 -11.824 1.00 4.32 C ATOM 984 CD2 LEU A 60 4.120 -5.239 -14.104 1.00 15.33 C ATOM 0 H LEU A 60 6.183 -1.854 -11.374 1.00 34.11 H new ATOM 0 HA LEU A 60 6.428 -3.732 -13.512 1.00 40.05 H new ATOM 0 HB2 LEU A 60 4.844 -3.409 -11.283 1.00 31.10 H new ATOM 0 HB3 LEU A 60 3.738 -2.946 -12.561 1.00 31.10 H new ATOM 0 HG LEU A 60 5.187 -5.593 -12.292 1.00 23.34 H new ATOM 0 HD11 LEU A 60 2.911 -6.501 -12.029 1.00 4.32 H new ATOM 0 HD12 LEU A 60 3.301 -5.317 -10.759 1.00 4.32 H new ATOM 0 HD13 LEU A 60 2.249 -4.851 -12.116 1.00 4.32 H new ATOM 0 HD21 LEU A 60 3.905 -6.293 -14.277 1.00 15.33 H new ATOM 0 HD22 LEU A 60 3.282 -4.636 -14.454 1.00 15.33 H new ATOM 0 HD23 LEU A 60 5.022 -4.959 -14.649 1.00 15.33 H new ATOM 996 N MET A 61 4.927 -0.870 -14.082 1.00 31.05 N ATOM 997 CA MET A 61 4.408 -0.003 -15.133 1.00 74.31 C ATOM 998 C MET A 61 5.545 0.608 -15.945 1.00 1.11 C ATOM 999 O MET A 61 5.361 0.985 -17.102 1.00 43.14 O ATOM 1000 CB MET A 61 3.543 1.105 -14.529 1.00 42.23 C ATOM 1001 CG MET A 61 2.318 0.588 -13.793 1.00 62.30 C ATOM 1002 SD MET A 61 2.592 0.424 -12.018 1.00 62.24 S ATOM 1003 CE MET A 61 1.936 -1.217 -11.725 1.00 1.23 C ATOM 0 H MET A 61 5.002 -0.425 -13.167 1.00 31.05 H new ATOM 0 HA MET A 61 3.795 -0.609 -15.800 1.00 74.31 H new ATOM 0 HB2 MET A 61 4.149 1.693 -13.840 1.00 42.23 H new ATOM 0 HB3 MET A 61 3.222 1.778 -15.324 1.00 42.23 H new ATOM 0 HG2 MET A 61 1.482 1.265 -13.967 1.00 62.30 H new ATOM 0 HG3 MET A 61 2.034 -0.381 -14.204 1.00 62.30 H new ATOM 0 HE1 MET A 61 2.595 -1.756 -11.045 1.00 1.23 H new ATOM 0 HE2 MET A 61 0.943 -1.138 -11.282 1.00 1.23 H new ATOM 0 HE3 MET A 61 1.870 -1.756 -12.670 1.00 1.23 H new ATOM 1013 N ASP A 62 6.719 0.703 -15.331 1.00 3.41 N ATOM 1014 CA ASP A 62 7.887 1.268 -15.997 1.00 51.43 C ATOM 1015 C ASP A 62 9.170 0.619 -15.489 1.00 22.12 C ATOM 1016 O ASP A 62 9.936 1.212 -14.729 1.00 22.10 O ATOM 1017 CB ASP A 62 7.944 2.781 -15.777 1.00 62.11 C ATOM 1018 CG ASP A 62 8.640 3.505 -16.912 1.00 41.45 C ATOM 1019 OD1 ASP A 62 9.693 3.016 -17.371 1.00 24.03 O ATOM 1020 OD2 ASP A 62 8.132 4.562 -17.342 1.00 51.33 O ATOM 0 H ASP A 62 6.887 0.396 -14.373 1.00 3.41 H new ATOM 0 HA ASP A 62 7.798 1.067 -17.065 1.00 51.43 H new ATOM 0 HB2 ASP A 62 6.931 3.168 -15.670 1.00 62.11 H new ATOM 0 HB3 ASP A 62 8.465 2.990 -14.843 1.00 62.11 H new ATOM 1025 N PRO A 63 9.411 -0.629 -15.916 1.00 23.52 N ATOM 1026 CA PRO A 63 10.601 -1.387 -15.516 1.00 11.02 C ATOM 1027 C PRO A 63 11.879 -0.825 -16.129 1.00 61.41 C ATOM 1028 O PRO A 63 12.982 -1.242 -15.777 1.00 44.41 O ATOM 1029 CB PRO A 63 10.323 -2.793 -16.053 1.00 21.22 C ATOM 1030 CG PRO A 63 9.386 -2.585 -17.192 1.00 62.43 C ATOM 1031 CD PRO A 63 8.542 -1.398 -16.822 1.00 54.55 C ATOM 0 HA PRO A 63 10.764 -1.352 -14.439 1.00 11.02 H new ATOM 0 HB2 PRO A 63 11.241 -3.281 -16.380 1.00 21.22 H new ATOM 0 HB3 PRO A 63 9.880 -3.429 -15.287 1.00 21.22 H new ATOM 0 HG2 PRO A 63 9.932 -2.403 -18.118 1.00 62.43 H new ATOM 0 HG3 PRO A 63 8.768 -3.468 -17.355 1.00 62.43 H new ATOM 0 HD2 PRO A 63 8.261 -0.816 -17.700 1.00 54.55 H new ATOM 0 HD3 PRO A 63 7.617 -1.700 -16.331 1.00 54.55 H new ATOM 1039 N ALA A 64 11.722 0.122 -17.048 1.00 5.13 N ATOM 1040 CA ALA A 64 12.864 0.742 -17.708 1.00 5.31 C ATOM 1041 C ALA A 64 13.304 2.004 -16.974 1.00 1.43 C ATOM 1042 O ALA A 64 14.424 2.483 -17.155 1.00 22.51 O ATOM 1043 CB ALA A 64 12.527 1.063 -19.156 1.00 72.55 C ATOM 0 H ALA A 64 10.815 0.476 -17.352 1.00 5.13 H new ATOM 0 HA ALA A 64 13.692 0.033 -17.687 1.00 5.31 H new ATOM 0 HB1 ALA A 64 13.389 1.526 -19.636 1.00 72.55 H new ATOM 0 HB2 ALA A 64 12.269 0.144 -19.682 1.00 72.55 H new ATOM 0 HB3 ALA A 64 11.681 1.750 -19.189 1.00 72.55 H new ATOM 1049 N LYS A 65 12.415 2.541 -16.145 1.00 23.15 N ATOM 1050 CA LYS A 65 12.711 3.748 -15.382 1.00 31.13 C ATOM 1051 C LYS A 65 13.658 3.443 -14.226 1.00 22.42 C ATOM 1052 O LYS A 65 14.675 4.115 -14.050 1.00 32.53 O ATOM 1053 CB LYS A 65 11.418 4.367 -14.846 1.00 31.44 C ATOM 1054 CG LYS A 65 11.514 5.863 -14.605 1.00 10.21 C ATOM 1055 CD LYS A 65 10.366 6.364 -13.744 1.00 44.43 C ATOM 1056 CE LYS A 65 9.038 6.274 -14.479 1.00 73.12 C ATOM 1057 NZ LYS A 65 8.028 7.212 -13.916 1.00 54.34 N ATOM 0 H LYS A 65 11.483 2.159 -15.984 1.00 23.15 H new ATOM 0 HA LYS A 65 13.198 4.459 -16.049 1.00 31.13 H new ATOM 0 HB2 LYS A 65 10.612 4.172 -15.553 1.00 31.44 H new ATOM 0 HB3 LYS A 65 11.149 3.874 -13.912 1.00 31.44 H new ATOM 0 HG2 LYS A 65 12.462 6.094 -14.119 1.00 10.21 H new ATOM 0 HG3 LYS A 65 11.509 6.387 -15.561 1.00 10.21 H new ATOM 0 HD2 LYS A 65 10.316 5.778 -12.826 1.00 44.43 H new ATOM 0 HD3 LYS A 65 10.552 7.398 -13.453 1.00 44.43 H new ATOM 0 HE2 LYS A 65 9.192 6.497 -15.535 1.00 73.12 H new ATOM 0 HE3 LYS A 65 8.659 5.254 -14.420 1.00 73.12 H new ATOM 0 HZ1 LYS A 65 7.137 7.120 -14.444 1.00 54.34 H new ATOM 0 HZ2 LYS A 65 7.862 6.984 -12.915 1.00 54.34 H new ATOM 0 HZ3 LYS A 65 8.378 8.188 -13.995 1.00 54.34 H new ATOM 1071 N TYR A 66 13.319 2.425 -13.442 1.00 41.12 N ATOM 1072 CA TYR A 66 14.139 2.032 -12.303 1.00 23.34 C ATOM 1073 C TYR A 66 15.094 0.904 -12.682 1.00 32.40 C ATOM 1074 O TYR A 66 15.553 0.150 -11.825 1.00 22.33 O ATOM 1075 CB TYR A 66 13.252 1.594 -11.136 1.00 62.31 C ATOM 1076 CG TYR A 66 12.468 2.726 -10.513 1.00 53.33 C ATOM 1077 CD1 TYR A 66 11.310 3.208 -11.113 1.00 23.41 C ATOM 1078 CD2 TYR A 66 12.884 3.316 -9.326 1.00 62.12 C ATOM 1079 CE1 TYR A 66 10.591 4.243 -10.548 1.00 75.31 C ATOM 1080 CE2 TYR A 66 12.170 4.350 -8.753 1.00 40.45 C ATOM 1081 CZ TYR A 66 11.024 4.810 -9.368 1.00 42.42 C ATOM 1082 OH TYR A 66 10.311 5.842 -8.802 1.00 33.35 O ATOM 0 H TYR A 66 12.482 1.857 -13.575 1.00 41.12 H new ATOM 0 HA TYR A 66 14.729 2.896 -11.998 1.00 23.34 H new ATOM 0 HB2 TYR A 66 12.557 0.831 -11.486 1.00 62.31 H new ATOM 0 HB3 TYR A 66 13.875 1.131 -10.371 1.00 62.31 H new ATOM 0 HD1 TYR A 66 10.967 2.766 -12.037 1.00 23.41 H new ATOM 0 HD2 TYR A 66 13.782 2.960 -8.843 1.00 62.12 H new ATOM 0 HE1 TYR A 66 9.694 4.606 -11.028 1.00 75.31 H new ATOM 0 HE2 TYR A 66 12.507 4.796 -7.829 1.00 40.45 H new ATOM 0 HH TYR A 66 10.750 6.127 -7.973 1.00 33.35 H new ATOM 1092 N ALA A 67 15.388 0.795 -13.974 1.00 13.35 N ATOM 1093 CA ALA A 67 16.289 -0.238 -14.468 1.00 22.02 C ATOM 1094 C ALA A 67 17.735 0.247 -14.465 1.00 53.53 C ATOM 1095 O ALA A 67 18.615 -0.391 -15.043 1.00 12.41 O ATOM 1096 CB ALA A 67 15.878 -0.672 -15.867 1.00 43.41 C ATOM 0 H ALA A 67 15.015 1.410 -14.697 1.00 13.35 H new ATOM 0 HA ALA A 67 16.220 -1.096 -13.799 1.00 22.02 H new ATOM 0 HB1 ALA A 67 16.560 -1.444 -16.223 1.00 43.41 H new ATOM 0 HB2 ALA A 67 14.863 -1.068 -15.842 1.00 43.41 H new ATOM 0 HB3 ALA A 67 15.916 0.185 -16.540 1.00 43.41 H new ATOM 1102 N SER A 68 17.972 1.381 -13.813 1.00 24.34 N ATOM 1103 CA SER A 68 19.311 1.954 -13.739 1.00 41.22 C ATOM 1104 C SER A 68 19.824 1.953 -12.302 1.00 45.34 C ATOM 1105 O SER A 68 21.032 1.969 -12.062 1.00 72.52 O ATOM 1106 CB SER A 68 19.309 3.381 -14.291 1.00 14.10 C ATOM 1107 OG SER A 68 18.338 4.179 -13.636 1.00 52.34 O ATOM 0 H SER A 68 17.255 1.921 -13.329 1.00 24.34 H new ATOM 0 HA SER A 68 19.977 1.339 -14.344 1.00 41.22 H new ATOM 0 HB2 SER A 68 20.296 3.825 -14.163 1.00 14.10 H new ATOM 0 HB3 SER A 68 19.105 3.360 -15.362 1.00 14.10 H new ATOM 0 HG SER A 68 18.357 5.087 -14.005 1.00 52.34 H new ATOM 1113 N VAL A 69 18.898 1.935 -11.350 1.00 13.44 N ATOM 1114 CA VAL A 69 19.255 1.931 -9.936 1.00 13.50 C ATOM 1115 C VAL A 69 20.192 0.774 -9.609 1.00 15.10 C ATOM 1116 O VAL A 69 20.026 -0.335 -10.117 1.00 54.01 O ATOM 1117 CB VAL A 69 18.004 1.834 -9.042 1.00 25.03 C ATOM 1118 CG1 VAL A 69 17.229 0.561 -9.345 1.00 12.12 C ATOM 1119 CG2 VAL A 69 18.395 1.893 -7.573 1.00 11.14 C ATOM 0 H VAL A 69 17.894 1.923 -11.532 1.00 13.44 H new ATOM 0 HA VAL A 69 19.764 2.874 -9.735 1.00 13.50 H new ATOM 0 HB VAL A 69 17.357 2.684 -9.257 1.00 25.03 H new ATOM 0 HG11 VAL A 69 16.349 0.510 -8.704 1.00 12.12 H new ATOM 0 HG12 VAL A 69 16.918 0.565 -10.390 1.00 12.12 H new ATOM 0 HG13 VAL A 69 17.864 -0.305 -9.159 1.00 12.12 H new ATOM 0 HG21 VAL A 69 17.500 1.823 -6.955 1.00 11.14 H new ATOM 0 HG22 VAL A 69 19.062 1.063 -7.340 1.00 11.14 H new ATOM 0 HG23 VAL A 69 18.904 2.835 -7.369 1.00 11.14 H new ATOM 1129 N ASP A 70 21.176 1.040 -8.757 1.00 72.43 N ATOM 1130 CA ASP A 70 22.139 0.019 -8.360 1.00 44.53 C ATOM 1131 C ASP A 70 21.776 -0.572 -7.002 1.00 72.31 C ATOM 1132 O ASP A 70 22.154 -0.039 -5.958 1.00 51.14 O ATOM 1133 CB ASP A 70 23.549 0.611 -8.312 1.00 62.51 C ATOM 1134 CG ASP A 70 23.905 1.364 -9.579 1.00 32.13 C ATOM 1135 OD1 ASP A 70 23.633 0.837 -10.678 1.00 3.32 O ATOM 1136 OD2 ASP A 70 24.455 2.480 -9.471 1.00 23.10 O ATOM 0 H ASP A 70 21.328 1.953 -8.328 1.00 72.43 H new ATOM 0 HA ASP A 70 22.112 -0.779 -9.102 1.00 44.53 H new ATOM 0 HB2 ASP A 70 23.628 1.284 -7.458 1.00 62.51 H new ATOM 0 HB3 ASP A 70 24.271 -0.190 -8.154 1.00 62.51 H new ATOM 1141 N THR A 71 21.038 -1.678 -7.022 1.00 61.23 N ATOM 1142 CA THR A 71 20.621 -2.341 -5.793 1.00 62.43 C ATOM 1143 C THR A 71 21.808 -2.577 -4.866 1.00 70.41 C ATOM 1144 O THR A 71 21.660 -2.593 -3.644 1.00 12.42 O ATOM 1145 CB THR A 71 19.937 -3.690 -6.087 1.00 24.12 C ATOM 1146 OG1 THR A 71 20.403 -4.214 -7.336 1.00 0.15 O ATOM 1147 CG2 THR A 71 18.425 -3.532 -6.130 1.00 1.03 C ATOM 0 H THR A 71 20.717 -2.133 -7.876 1.00 61.23 H new ATOM 0 HA THR A 71 19.907 -1.679 -5.303 1.00 62.43 H new ATOM 0 HB THR A 71 20.191 -4.383 -5.285 1.00 24.12 H new ATOM 0 HG1 THR A 71 19.885 -5.013 -7.569 1.00 0.15 H new ATOM 0 HG21 THR A 71 17.964 -4.497 -6.339 1.00 1.03 H new ATOM 0 HG22 THR A 71 18.070 -3.161 -5.168 1.00 1.03 H new ATOM 0 HG23 THR A 71 18.155 -2.824 -6.914 1.00 1.03 H new ATOM 1155 N TYR A 72 22.985 -2.760 -5.454 1.00 72.42 N ATOM 1156 CA TYR A 72 24.197 -2.998 -4.680 1.00 45.50 C ATOM 1157 C TYR A 72 24.448 -1.857 -3.698 1.00 22.54 C ATOM 1158 O TYR A 72 24.660 -2.085 -2.506 1.00 54.13 O ATOM 1159 CB TYR A 72 25.400 -3.156 -5.612 1.00 72.21 C ATOM 1160 CG TYR A 72 26.728 -3.172 -4.890 1.00 30.53 C ATOM 1161 CD1 TYR A 72 26.883 -3.863 -3.694 1.00 15.41 C ATOM 1162 CD2 TYR A 72 27.829 -2.498 -5.404 1.00 31.31 C ATOM 1163 CE1 TYR A 72 28.094 -3.879 -3.030 1.00 71.53 C ATOM 1164 CE2 TYR A 72 29.045 -2.511 -4.748 1.00 14.11 C ATOM 1165 CZ TYR A 72 29.172 -3.202 -3.561 1.00 70.43 C ATOM 1166 OH TYR A 72 30.381 -3.218 -2.904 1.00 12.11 O ATOM 0 H TYR A 72 23.125 -2.748 -6.464 1.00 72.42 H new ATOM 0 HA TYR A 72 24.061 -3.919 -4.113 1.00 45.50 H new ATOM 0 HB2 TYR A 72 25.292 -4.082 -6.177 1.00 72.21 H new ATOM 0 HB3 TYR A 72 25.399 -2.340 -6.335 1.00 72.21 H new ATOM 0 HD1 TYR A 72 26.042 -4.397 -3.277 1.00 15.41 H new ATOM 0 HD2 TYR A 72 27.733 -1.955 -6.332 1.00 31.31 H new ATOM 0 HE1 TYR A 72 28.196 -4.419 -2.100 1.00 71.53 H new ATOM 0 HE2 TYR A 72 29.891 -1.983 -5.162 1.00 14.11 H new ATOM 0 HH TYR A 72 31.036 -2.694 -3.411 1.00 12.11 H new ATOM 1176 N ASP A 73 24.422 -0.631 -4.206 1.00 44.35 N ATOM 1177 CA ASP A 73 24.645 0.547 -3.375 1.00 70.32 C ATOM 1178 C ASP A 73 23.544 0.689 -2.329 1.00 51.31 C ATOM 1179 O ASP A 73 22.398 0.995 -2.658 1.00 14.21 O ATOM 1180 CB ASP A 73 24.708 1.805 -4.242 1.00 51.03 C ATOM 1181 CG ASP A 73 25.544 2.901 -3.612 1.00 1.31 C ATOM 1182 OD1 ASP A 73 26.216 2.625 -2.596 1.00 3.40 O ATOM 1183 OD2 ASP A 73 25.527 4.035 -4.135 1.00 31.01 O ATOM 0 H ASP A 73 24.249 -0.426 -5.190 1.00 44.35 H new ATOM 0 HA ASP A 73 25.598 0.423 -2.860 1.00 70.32 H new ATOM 0 HB2 ASP A 73 25.123 1.550 -5.217 1.00 51.03 H new ATOM 0 HB3 ASP A 73 23.697 2.176 -4.413 1.00 51.03 H new ATOM 1188 N ARG A 74 23.900 0.465 -1.068 1.00 73.55 N ATOM 1189 CA ARG A 74 22.941 0.566 0.026 1.00 63.35 C ATOM 1190 C ARG A 74 22.279 1.940 0.043 1.00 4.41 C ATOM 1191 O ARG A 74 21.174 2.100 0.559 1.00 52.41 O ATOM 1192 CB ARG A 74 23.634 0.304 1.364 1.00 12.13 C ATOM 1193 CG ARG A 74 24.469 1.475 1.857 1.00 61.52 C ATOM 1194 CD ARG A 74 25.726 1.653 1.020 1.00 51.34 C ATOM 1195 NE ARG A 74 26.483 0.410 0.896 1.00 13.40 N ATOM 1196 CZ ARG A 74 27.161 -0.140 1.897 1.00 15.11 C ATOM 1197 NH1 ARG A 74 27.176 0.440 3.090 1.00 74.45 N ATOM 1198 NH2 ARG A 74 27.825 -1.273 1.707 1.00 52.44 N ATOM 0 H ARG A 74 24.845 0.213 -0.779 1.00 73.55 H new ATOM 0 HA ARG A 74 22.169 -0.187 -0.129 1.00 63.35 H new ATOM 0 HB2 ARG A 74 22.880 0.065 2.114 1.00 12.13 H new ATOM 0 HB3 ARG A 74 24.275 -0.572 1.266 1.00 12.13 H new ATOM 0 HG2 ARG A 74 23.874 2.388 1.822 1.00 61.52 H new ATOM 0 HG3 ARG A 74 24.744 1.314 2.899 1.00 61.52 H new ATOM 0 HD2 ARG A 74 25.453 2.011 0.028 1.00 51.34 H new ATOM 0 HD3 ARG A 74 26.357 2.418 1.472 1.00 51.34 H new ATOM 0 HE ARG A 74 26.491 -0.061 -0.009 1.00 13.40 H new ATOM 0 HH11 ARG A 74 26.666 1.310 3.240 1.00 74.45 H new ATOM 0 HH12 ARG A 74 27.697 0.015 3.857 1.00 74.45 H new ATOM 0 HH21 ARG A 74 27.815 -1.723 0.791 1.00 52.44 H new ATOM 0 HH22 ARG A 74 28.345 -1.694 2.476 1.00 52.44 H new ATOM 1212 N GLU A 75 22.965 2.929 -0.524 1.00 35.24 N ATOM 1213 CA GLU A 75 22.443 4.290 -0.571 1.00 71.42 C ATOM 1214 C GLU A 75 21.212 4.369 -1.469 1.00 54.21 C ATOM 1215 O GLU A 75 20.161 4.860 -1.056 1.00 62.24 O ATOM 1216 CB GLU A 75 23.518 5.254 -1.075 1.00 3.40 C ATOM 1217 CG GLU A 75 24.306 5.923 0.039 1.00 64.01 C ATOM 1218 CD GLU A 75 25.252 6.991 -0.475 1.00 53.33 C ATOM 1219 OE1 GLU A 75 24.804 7.852 -1.262 1.00 63.50 O ATOM 1220 OE2 GLU A 75 26.440 6.967 -0.090 1.00 74.32 O ATOM 0 H GLU A 75 23.882 2.813 -0.956 1.00 35.24 H new ATOM 0 HA GLU A 75 22.153 4.577 0.440 1.00 71.42 H new ATOM 0 HB2 GLU A 75 24.208 4.710 -1.721 1.00 3.40 H new ATOM 0 HB3 GLU A 75 23.047 6.023 -1.687 1.00 3.40 H new ATOM 0 HG2 GLU A 75 23.613 6.370 0.752 1.00 64.01 H new ATOM 0 HG3 GLU A 75 24.876 5.168 0.580 1.00 64.01 H new ATOM 1227 N GLN A 76 21.351 3.884 -2.699 1.00 32.34 N ATOM 1228 CA GLN A 76 20.251 3.901 -3.655 1.00 54.13 C ATOM 1229 C GLN A 76 19.061 3.104 -3.131 1.00 15.42 C ATOM 1230 O GLN A 76 17.960 3.636 -2.986 1.00 75.01 O ATOM 1231 CB GLN A 76 20.707 3.333 -5.000 1.00 62.20 C ATOM 1232 CG GLN A 76 21.871 4.091 -5.617 1.00 40.24 C ATOM 1233 CD GLN A 76 21.594 4.526 -7.043 1.00 14.42 C ATOM 1234 OE1 GLN A 76 20.814 5.449 -7.282 1.00 3.43 O ATOM 1235 NE2 GLN A 76 22.232 3.863 -8.000 1.00 33.44 N ATOM 0 H GLN A 76 22.214 3.475 -3.056 1.00 32.34 H new ATOM 0 HA GLN A 76 19.939 4.936 -3.792 1.00 54.13 H new ATOM 0 HB2 GLN A 76 20.994 2.290 -4.866 1.00 62.20 H new ATOM 0 HB3 GLN A 76 19.867 3.346 -5.694 1.00 62.20 H new ATOM 0 HG2 GLN A 76 22.091 4.969 -5.010 1.00 40.24 H new ATOM 0 HG3 GLN A 76 22.760 3.461 -5.600 1.00 40.24 H new ATOM 0 HE21 GLN A 76 22.870 3.105 -7.757 1.00 33.44 H new ATOM 0 HE22 GLN A 76 22.085 4.112 -8.978 1.00 33.44 H new ATOM 1244 N VAL A 77 19.289 1.826 -2.848 1.00 20.13 N ATOM 1245 CA VAL A 77 18.236 0.956 -2.339 1.00 31.54 C ATOM 1246 C VAL A 77 17.541 1.580 -1.134 1.00 51.51 C ATOM 1247 O VAL A 77 16.347 1.375 -0.918 1.00 52.55 O ATOM 1248 CB VAL A 77 18.792 -0.424 -1.938 1.00 4.42 C ATOM 1249 CG1 VAL A 77 19.418 -0.365 -0.552 1.00 73.35 C ATOM 1250 CG2 VAL A 77 17.696 -1.477 -1.993 1.00 11.41 C ATOM 0 H VAL A 77 20.194 1.370 -2.963 1.00 20.13 H new ATOM 0 HA VAL A 77 17.514 0.829 -3.146 1.00 31.54 H new ATOM 0 HB VAL A 77 19.568 -0.704 -2.650 1.00 4.42 H new ATOM 0 HG11 VAL A 77 19.805 -1.348 -0.286 1.00 73.35 H new ATOM 0 HG12 VAL A 77 20.233 0.358 -0.552 1.00 73.35 H new ATOM 0 HG13 VAL A 77 18.664 -0.063 0.175 1.00 73.35 H new ATOM 0 HG21 VAL A 77 18.107 -2.445 -1.707 1.00 11.41 H new ATOM 0 HG22 VAL A 77 16.895 -1.205 -1.305 1.00 11.41 H new ATOM 0 HG23 VAL A 77 17.299 -1.537 -3.006 1.00 11.41 H new ATOM 1260 N MET A 78 18.297 2.344 -0.352 1.00 51.43 N ATOM 1261 CA MET A 78 17.753 3.001 0.830 1.00 14.35 C ATOM 1262 C MET A 78 16.762 4.093 0.439 1.00 70.04 C ATOM 1263 O MET A 78 15.634 4.129 0.931 1.00 23.44 O ATOM 1264 CB MET A 78 18.881 3.599 1.673 1.00 62.01 C ATOM 1265 CG MET A 78 19.317 2.708 2.824 1.00 24.34 C ATOM 1266 SD MET A 78 20.358 3.572 4.016 1.00 4.21 S ATOM 1267 CE MET A 78 21.988 3.218 3.362 1.00 32.31 C ATOM 0 H MET A 78 19.288 2.523 -0.516 1.00 51.43 H new ATOM 0 HA MET A 78 17.226 2.251 1.420 1.00 14.35 H new ATOM 0 HB2 MET A 78 19.739 3.794 1.030 1.00 62.01 H new ATOM 0 HB3 MET A 78 18.556 4.560 2.071 1.00 62.01 H new ATOM 0 HG2 MET A 78 18.434 2.320 3.332 1.00 24.34 H new ATOM 0 HG3 MET A 78 19.860 1.850 2.428 1.00 24.34 H new ATOM 0 HE1 MET A 78 22.727 3.312 4.157 1.00 32.31 H new ATOM 0 HE2 MET A 78 22.008 2.203 2.965 1.00 32.31 H new ATOM 0 HE3 MET A 78 22.221 3.924 2.565 1.00 32.31 H new ATOM 1277 N LYS A 79 17.190 4.983 -0.451 1.00 21.34 N ATOM 1278 CA LYS A 79 16.341 6.075 -0.910 1.00 40.40 C ATOM 1279 C LYS A 79 15.026 5.544 -1.472 1.00 65.32 C ATOM 1280 O LYS A 79 13.951 6.045 -1.141 1.00 25.41 O ATOM 1281 CB LYS A 79 17.067 6.900 -1.975 1.00 63.45 C ATOM 1282 CG LYS A 79 18.265 7.666 -1.440 1.00 74.22 C ATOM 1283 CD LYS A 79 19.306 7.900 -2.522 1.00 32.11 C ATOM 1284 CE LYS A 79 20.430 8.798 -2.028 1.00 71.15 C ATOM 1285 NZ LYS A 79 20.099 10.241 -2.190 1.00 72.33 N ATOM 0 H LYS A 79 18.121 4.969 -0.868 1.00 21.34 H new ATOM 0 HA LYS A 79 16.118 6.712 -0.054 1.00 40.40 H new ATOM 0 HB2 LYS A 79 17.398 6.236 -2.774 1.00 63.45 H new ATOM 0 HB3 LYS A 79 16.364 7.605 -2.418 1.00 63.45 H new ATOM 0 HG2 LYS A 79 17.935 8.624 -1.038 1.00 74.22 H new ATOM 0 HG3 LYS A 79 18.714 7.112 -0.616 1.00 74.22 H new ATOM 0 HD2 LYS A 79 19.718 6.944 -2.845 1.00 32.11 H new ATOM 0 HD3 LYS A 79 18.832 8.354 -3.393 1.00 32.11 H new ATOM 0 HE2 LYS A 79 20.628 8.587 -0.977 1.00 71.15 H new ATOM 0 HE3 LYS A 79 21.344 8.571 -2.577 1.00 71.15 H new ATOM 0 HZ1 LYS A 79 20.890 10.820 -1.842 1.00 72.33 H new ATOM 0 HZ2 LYS A 79 19.934 10.449 -3.196 1.00 72.33 H new ATOM 0 HZ3 LYS A 79 19.241 10.464 -1.646 1.00 72.33 H new ATOM 1299 N ILE A 80 15.120 4.527 -2.322 1.00 60.31 N ATOM 1300 CA ILE A 80 13.938 3.926 -2.927 1.00 53.32 C ATOM 1301 C ILE A 80 13.012 3.344 -1.865 1.00 21.43 C ATOM 1302 O ILE A 80 11.825 3.666 -1.817 1.00 53.21 O ATOM 1303 CB ILE A 80 14.318 2.817 -3.925 1.00 71.32 C ATOM 1304 CG1 ILE A 80 14.839 3.428 -5.227 1.00 44.31 C ATOM 1305 CG2 ILE A 80 13.122 1.917 -4.198 1.00 53.11 C ATOM 1306 CD1 ILE A 80 16.343 3.349 -5.372 1.00 41.30 C ATOM 0 H ILE A 80 16.002 4.102 -2.607 1.00 60.31 H new ATOM 0 HA ILE A 80 13.419 4.721 -3.461 1.00 53.32 H new ATOM 0 HB ILE A 80 15.111 2.212 -3.487 1.00 71.32 H new ATOM 0 HG12 ILE A 80 14.373 2.918 -6.070 1.00 44.31 H new ATOM 0 HG13 ILE A 80 14.532 4.473 -5.277 1.00 44.31 H new ATOM 0 HG21 ILE A 80 13.407 1.138 -4.905 1.00 53.11 H new ATOM 0 HG22 ILE A 80 12.792 1.458 -3.266 1.00 53.11 H new ATOM 0 HG23 ILE A 80 12.309 2.509 -4.618 1.00 53.11 H new ATOM 0 HD11 ILE A 80 16.642 3.801 -6.318 1.00 41.30 H new ATOM 0 HD12 ILE A 80 16.816 3.884 -4.549 1.00 41.30 H new ATOM 0 HD13 ILE A 80 16.656 2.305 -5.354 1.00 41.30 H new ATOM 1318 N ILE A 81 13.564 2.485 -1.013 1.00 51.54 N ATOM 1319 CA ILE A 81 12.788 1.860 0.051 1.00 43.24 C ATOM 1320 C ILE A 81 12.147 2.909 0.953 1.00 44.11 C ATOM 1321 O ILE A 81 11.029 2.729 1.434 1.00 33.23 O ATOM 1322 CB ILE A 81 13.661 0.925 0.909 1.00 41.34 C ATOM 1323 CG1 ILE A 81 14.068 -0.310 0.103 1.00 31.30 C ATOM 1324 CG2 ILE A 81 12.918 0.519 2.173 1.00 41.24 C ATOM 1325 CD1 ILE A 81 15.066 -1.195 0.816 1.00 20.04 C ATOM 0 H ILE A 81 14.545 2.207 -1.039 1.00 51.54 H new ATOM 0 HA ILE A 81 12.006 1.273 -0.431 1.00 43.24 H new ATOM 0 HB ILE A 81 14.565 1.460 1.199 1.00 41.34 H new ATOM 0 HG12 ILE A 81 13.177 -0.894 -0.127 1.00 31.30 H new ATOM 0 HG13 ILE A 81 14.493 0.011 -0.848 1.00 31.30 H new ATOM 0 HG21 ILE A 81 13.548 -0.142 2.769 1.00 41.24 H new ATOM 0 HG22 ILE A 81 12.674 1.409 2.753 1.00 41.24 H new ATOM 0 HG23 ILE A 81 11.999 -0.002 1.904 1.00 41.24 H new ATOM 0 HD11 ILE A 81 15.309 -2.051 0.186 1.00 20.04 H new ATOM 0 HD12 ILE A 81 15.973 -0.627 1.022 1.00 20.04 H new ATOM 0 HD13 ILE A 81 14.636 -1.546 1.754 1.00 20.04 H new ATOM 1337 N ASP A 82 12.863 4.006 1.177 1.00 71.25 N ATOM 1338 CA ASP A 82 12.363 5.086 2.019 1.00 42.31 C ATOM 1339 C ASP A 82 11.231 5.837 1.325 1.00 34.32 C ATOM 1340 O ASP A 82 10.156 6.021 1.895 1.00 13.10 O ATOM 1341 CB ASP A 82 13.495 6.055 2.368 1.00 75.51 C ATOM 1342 CG ASP A 82 12.991 7.312 3.048 1.00 11.30 C ATOM 1343 OD1 ASP A 82 12.866 7.305 4.290 1.00 12.03 O ATOM 1344 OD2 ASP A 82 12.721 8.304 2.338 1.00 60.21 O ATOM 0 H ASP A 82 13.791 4.170 0.787 1.00 71.25 H new ATOM 0 HA ASP A 82 11.974 4.647 2.938 1.00 42.31 H new ATOM 0 HB2 ASP A 82 14.210 5.554 3.021 1.00 75.51 H new ATOM 0 HB3 ASP A 82 14.030 6.327 1.458 1.00 75.51 H new ATOM 1349 N GLU A 83 11.481 6.268 0.093 1.00 74.33 N ATOM 1350 CA GLU A 83 10.482 7.000 -0.677 1.00 72.22 C ATOM 1351 C GLU A 83 9.217 6.166 -0.861 1.00 23.55 C ATOM 1352 O GLU A 83 8.107 6.638 -0.614 1.00 63.11 O ATOM 1353 CB GLU A 83 11.047 7.395 -2.043 1.00 4.43 C ATOM 1354 CG GLU A 83 12.001 8.577 -1.987 1.00 54.45 C ATOM 1355 CD GLU A 83 11.987 9.398 -3.263 1.00 11.04 C ATOM 1356 OE1 GLU A 83 11.361 8.954 -4.248 1.00 12.44 O ATOM 1357 OE2 GLU A 83 12.603 10.485 -3.275 1.00 34.43 O ATOM 0 H GLU A 83 12.366 6.123 -0.393 1.00 74.33 H new ATOM 0 HA GLU A 83 10.224 7.903 -0.123 1.00 72.22 H new ATOM 0 HB2 GLU A 83 11.567 6.539 -2.473 1.00 4.43 H new ATOM 0 HB3 GLU A 83 10.221 7.636 -2.713 1.00 4.43 H new ATOM 0 HG2 GLU A 83 11.733 9.216 -1.145 1.00 54.45 H new ATOM 0 HG3 GLU A 83 13.012 8.215 -1.803 1.00 54.45 H new ATOM 1364 N PHE A 84 9.394 4.922 -1.295 1.00 53.34 N ATOM 1365 CA PHE A 84 8.268 4.022 -1.514 1.00 33.32 C ATOM 1366 C PHE A 84 7.604 3.650 -0.191 1.00 24.40 C ATOM 1367 O PHE A 84 6.482 3.145 -0.166 1.00 54.12 O ATOM 1368 CB PHE A 84 8.732 2.756 -2.238 1.00 42.50 C ATOM 1369 CG PHE A 84 8.943 2.953 -3.712 1.00 62.31 C ATOM 1370 CD1 PHE A 84 9.864 3.879 -4.176 1.00 75.55 C ATOM 1371 CD2 PHE A 84 8.221 2.212 -4.633 1.00 73.24 C ATOM 1372 CE1 PHE A 84 10.060 4.061 -5.532 1.00 44.44 C ATOM 1373 CE2 PHE A 84 8.414 2.390 -5.990 1.00 74.13 C ATOM 1374 CZ PHE A 84 9.334 3.317 -6.440 1.00 74.34 C ATOM 0 H PHE A 84 10.306 4.515 -1.502 1.00 53.34 H new ATOM 0 HA PHE A 84 7.537 4.540 -2.135 1.00 33.32 H new ATOM 0 HB2 PHE A 84 9.663 2.410 -1.789 1.00 42.50 H new ATOM 0 HB3 PHE A 84 7.993 1.969 -2.087 1.00 42.50 H new ATOM 0 HD1 PHE A 84 10.435 4.465 -3.470 1.00 75.55 H new ATOM 0 HD2 PHE A 84 7.499 1.487 -4.287 1.00 73.24 H new ATOM 0 HE1 PHE A 84 10.781 4.785 -5.881 1.00 44.44 H new ATOM 0 HE2 PHE A 84 7.846 1.805 -6.698 1.00 74.13 H new ATOM 0 HZ PHE A 84 9.485 3.459 -7.500 1.00 74.34 H new ATOM 1384 N LYS A 85 8.307 3.902 0.908 1.00 63.11 N ATOM 1385 CA LYS A 85 7.789 3.595 2.236 1.00 52.13 C ATOM 1386 C LYS A 85 7.530 2.099 2.386 1.00 12.55 C ATOM 1387 O LYS A 85 6.455 1.687 2.825 1.00 5.50 O ATOM 1388 CB LYS A 85 6.498 4.376 2.495 1.00 62.44 C ATOM 1389 CG LYS A 85 6.646 5.875 2.304 1.00 54.24 C ATOM 1390 CD LYS A 85 7.248 6.537 3.532 1.00 54.33 C ATOM 1391 CE LYS A 85 7.315 8.049 3.374 1.00 75.43 C ATOM 1392 NZ LYS A 85 8.593 8.485 2.746 1.00 75.42 N ATOM 0 H LYS A 85 9.238 4.319 0.905 1.00 63.11 H new ATOM 0 HA LYS A 85 8.539 3.891 2.969 1.00 52.13 H new ATOM 0 HB2 LYS A 85 5.720 4.008 1.826 1.00 62.44 H new ATOM 0 HB3 LYS A 85 6.162 4.179 3.513 1.00 62.44 H new ATOM 0 HG2 LYS A 85 7.277 6.072 1.437 1.00 54.24 H new ATOM 0 HG3 LYS A 85 5.671 6.314 2.094 1.00 54.24 H new ATOM 0 HD2 LYS A 85 6.652 6.288 4.410 1.00 54.33 H new ATOM 0 HD3 LYS A 85 8.250 6.143 3.705 1.00 54.33 H new ATOM 0 HE2 LYS A 85 6.477 8.388 2.765 1.00 75.43 H new ATOM 0 HE3 LYS A 85 7.211 8.521 4.351 1.00 75.43 H new ATOM 0 HZ1 LYS A 85 9.148 9.035 3.433 1.00 75.42 H new ATOM 0 HZ2 LYS A 85 9.137 7.650 2.451 1.00 75.42 H new ATOM 0 HZ3 LYS A 85 8.388 9.076 1.915 1.00 75.42 H new ATOM 1406 N ILE A 86 8.520 1.292 2.022 1.00 43.41 N ATOM 1407 CA ILE A 86 8.399 -0.157 2.120 1.00 44.15 C ATOM 1408 C ILE A 86 8.619 -0.632 3.552 1.00 43.41 C ATOM 1409 O ILE A 86 9.639 -0.343 4.178 1.00 22.13 O ATOM 1410 CB ILE A 86 9.404 -0.869 1.195 1.00 61.23 C ATOM 1411 CG1 ILE A 86 9.328 -0.290 -0.220 1.00 32.35 C ATOM 1412 CG2 ILE A 86 9.136 -2.367 1.175 1.00 2.31 C ATOM 1413 CD1 ILE A 86 10.359 -0.866 -1.164 1.00 43.35 C ATOM 0 H ILE A 86 9.415 1.617 1.656 1.00 43.41 H new ATOM 0 HA ILE A 86 7.386 -0.411 1.807 1.00 44.15 H new ATOM 0 HB ILE A 86 10.410 -0.704 1.581 1.00 61.23 H new ATOM 0 HG12 ILE A 86 8.333 -0.473 -0.626 1.00 32.35 H new ATOM 0 HG13 ILE A 86 9.458 0.791 -0.169 1.00 32.35 H new ATOM 0 HG21 ILE A 86 9.854 -2.856 0.517 1.00 2.31 H new ATOM 0 HG22 ILE A 86 9.236 -2.768 2.184 1.00 2.31 H new ATOM 0 HG23 ILE A 86 8.126 -2.551 0.810 1.00 2.31 H new ATOM 0 HD11 ILE A 86 10.246 -0.410 -2.148 1.00 43.35 H new ATOM 0 HD12 ILE A 86 11.358 -0.660 -0.781 1.00 43.35 H new ATOM 0 HD13 ILE A 86 10.216 -1.944 -1.245 1.00 43.35 H new ATOM 1425 N PRO A 87 7.641 -1.379 4.084 1.00 21.31 N ATOM 1426 CA PRO A 87 7.705 -1.913 5.448 1.00 3.41 C ATOM 1427 C PRO A 87 8.756 -3.008 5.593 1.00 32.33 C ATOM 1428 O PRO A 87 9.294 -3.503 4.602 1.00 34.30 O ATOM 1429 CB PRO A 87 6.303 -2.483 5.672 1.00 32.32 C ATOM 1430 CG PRO A 87 5.799 -2.798 4.306 1.00 63.40 C ATOM 1431 CD PRO A 87 6.397 -1.762 3.395 1.00 23.30 C ATOM 0 HA PRO A 87 7.990 -1.149 6.172 1.00 3.41 H new ATOM 0 HB2 PRO A 87 6.334 -3.375 6.298 1.00 32.32 H new ATOM 0 HB3 PRO A 87 5.658 -1.762 6.175 1.00 32.32 H new ATOM 0 HG2 PRO A 87 6.095 -3.802 4.003 1.00 63.40 H new ATOM 0 HG3 PRO A 87 4.710 -2.764 4.274 1.00 63.40 H new ATOM 0 HD2 PRO A 87 6.596 -2.166 2.402 1.00 23.30 H new ATOM 0 HD3 PRO A 87 5.731 -0.909 3.264 1.00 23.30 H new ATOM 1439 N THR A 88 9.044 -3.384 6.835 1.00 24.53 N ATOM 1440 CA THR A 88 10.031 -4.421 7.110 1.00 20.32 C ATOM 1441 C THR A 88 9.392 -5.805 7.097 1.00 23.33 C ATOM 1442 O THR A 88 8.168 -5.935 7.113 1.00 22.53 O ATOM 1443 CB THR A 88 10.717 -4.198 8.471 1.00 12.42 C ATOM 1444 OG1 THR A 88 10.132 -3.072 9.135 1.00 1.32 O ATOM 1445 CG2 THR A 88 12.210 -3.969 8.294 1.00 42.45 C ATOM 0 H THR A 88 8.608 -2.986 7.667 1.00 24.53 H new ATOM 0 HA THR A 88 10.780 -4.361 6.320 1.00 20.32 H new ATOM 0 HB THR A 88 10.573 -5.093 9.077 1.00 12.42 H new ATOM 0 HG1 THR A 88 10.671 -2.839 9.920 1.00 1.32 H new ATOM 0 HG21 THR A 88 12.672 -3.814 9.269 1.00 42.45 H new ATOM 0 HG22 THR A 88 12.657 -4.840 7.815 1.00 42.45 H new ATOM 0 HG23 THR A 88 12.372 -3.089 7.672 1.00 42.45 H new ATOM 1453 N VAL A 89 10.229 -6.838 7.069 1.00 50.12 N ATOM 1454 CA VAL A 89 9.746 -8.213 7.056 1.00 74.43 C ATOM 1455 C VAL A 89 8.737 -8.452 8.174 1.00 62.31 C ATOM 1456 O VAL A 89 7.594 -8.829 7.921 1.00 35.10 O ATOM 1457 CB VAL A 89 10.905 -9.217 7.202 1.00 73.14 C ATOM 1458 CG1 VAL A 89 10.376 -10.643 7.229 1.00 62.22 C ATOM 1459 CG2 VAL A 89 11.912 -9.034 6.076 1.00 31.43 C ATOM 0 H VAL A 89 11.245 -6.748 7.055 1.00 50.12 H new ATOM 0 HA VAL A 89 9.260 -8.368 6.093 1.00 74.43 H new ATOM 0 HB VAL A 89 11.412 -9.026 8.148 1.00 73.14 H new ATOM 0 HG11 VAL A 89 11.209 -11.338 7.333 1.00 62.22 H new ATOM 0 HG12 VAL A 89 9.696 -10.763 8.073 1.00 62.22 H new ATOM 0 HG13 VAL A 89 9.843 -10.851 6.301 1.00 62.22 H new ATOM 0 HG21 VAL A 89 12.724 -9.751 6.194 1.00 31.43 H new ATOM 0 HG22 VAL A 89 11.420 -9.198 5.117 1.00 31.43 H new ATOM 0 HG23 VAL A 89 12.314 -8.021 6.109 1.00 31.43 H new ATOM 1469 N GLU A 90 9.170 -8.230 9.411 1.00 11.31 N ATOM 1470 CA GLU A 90 8.304 -8.421 10.569 1.00 60.44 C ATOM 1471 C GLU A 90 6.983 -7.680 10.388 1.00 13.42 C ATOM 1472 O GLU A 90 5.910 -8.241 10.609 1.00 12.53 O ATOM 1473 CB GLU A 90 9.003 -7.939 11.842 1.00 73.05 C ATOM 1474 CG GLU A 90 10.357 -8.587 12.076 1.00 72.34 C ATOM 1475 CD GLU A 90 10.829 -8.451 13.510 1.00 33.02 C ATOM 1476 OE1 GLU A 90 9.970 -8.362 14.412 1.00 12.10 O ATOM 1477 OE2 GLU A 90 12.058 -8.434 13.731 1.00 50.35 O ATOM 0 H GLU A 90 10.114 -7.918 9.637 1.00 11.31 H new ATOM 0 HA GLU A 90 8.093 -9.486 10.661 1.00 60.44 H new ATOM 0 HB2 GLU A 90 9.132 -6.858 11.789 1.00 73.05 H new ATOM 0 HB3 GLU A 90 8.360 -8.142 12.698 1.00 73.05 H new ATOM 0 HG2 GLU A 90 10.300 -9.644 11.815 1.00 72.34 H new ATOM 0 HG3 GLU A 90 11.092 -8.134 11.411 1.00 72.34 H new ATOM 1484 N GLN A 91 7.070 -6.416 9.986 1.00 4.11 N ATOM 1485 CA GLN A 91 5.882 -5.597 9.778 1.00 42.15 C ATOM 1486 C GLN A 91 4.940 -6.251 8.773 1.00 73.14 C ATOM 1487 O GLN A 91 3.720 -6.126 8.879 1.00 33.22 O ATOM 1488 CB GLN A 91 6.278 -4.202 9.290 1.00 14.24 C ATOM 1489 CG GLN A 91 6.592 -3.231 10.417 1.00 43.32 C ATOM 1490 CD GLN A 91 7.407 -3.867 11.526 1.00 71.24 C ATOM 1491 OE1 GLN A 91 6.908 -4.090 12.629 1.00 75.42 O ATOM 1492 NE2 GLN A 91 8.669 -4.164 11.238 1.00 11.30 N ATOM 0 H GLN A 91 7.951 -5.937 9.798 1.00 4.11 H new ATOM 0 HA GLN A 91 5.362 -5.507 10.731 1.00 42.15 H new ATOM 0 HB2 GLN A 91 7.150 -4.287 8.641 1.00 14.24 H new ATOM 0 HB3 GLN A 91 5.468 -3.794 8.685 1.00 14.24 H new ATOM 0 HG2 GLN A 91 7.137 -2.377 10.014 1.00 43.32 H new ATOM 0 HG3 GLN A 91 5.660 -2.847 10.831 1.00 43.32 H new ATOM 0 HE21 GLN A 91 9.042 -3.962 10.310 1.00 11.30 H new ATOM 0 HE22 GLN A 91 9.266 -4.594 11.945 1.00 11.30 H new ATOM 1501 N TRP A 92 5.513 -6.947 7.798 1.00 23.51 N ATOM 1502 CA TRP A 92 4.724 -7.621 6.773 1.00 34.24 C ATOM 1503 C TRP A 92 3.913 -8.764 7.375 1.00 54.42 C ATOM 1504 O TRP A 92 2.750 -8.966 7.022 1.00 25.42 O ATOM 1505 CB TRP A 92 5.635 -8.154 5.666 1.00 13.43 C ATOM 1506 CG TRP A 92 4.884 -8.741 4.510 1.00 35.42 C ATOM 1507 CD1 TRP A 92 3.853 -8.165 3.824 1.00 33.14 C ATOM 1508 CD2 TRP A 92 5.104 -10.021 3.907 1.00 53.03 C ATOM 1509 NE1 TRP A 92 3.419 -9.009 2.831 1.00 73.40 N ATOM 1510 CE2 TRP A 92 4.171 -10.154 2.860 1.00 75.01 C ATOM 1511 CE3 TRP A 92 5.999 -11.066 4.147 1.00 25.22 C ATOM 1512 CZ2 TRP A 92 4.109 -11.291 2.058 1.00 11.50 C ATOM 1513 CZ3 TRP A 92 5.937 -12.194 3.351 1.00 52.33 C ATOM 1514 CH2 TRP A 92 4.998 -12.299 2.316 1.00 52.51 C ATOM 0 H TRP A 92 6.522 -7.060 7.695 1.00 23.51 H new ATOM 0 HA TRP A 92 4.033 -6.894 6.346 1.00 34.24 H new ATOM 0 HB2 TRP A 92 6.268 -7.344 5.305 1.00 13.43 H new ATOM 0 HB3 TRP A 92 6.296 -8.913 6.084 1.00 13.43 H new ATOM 0 HD1 TRP A 92 3.440 -7.189 4.032 1.00 33.14 H new ATOM 0 HE1 TRP A 92 2.660 -8.815 2.178 1.00 73.40 H new ATOM 0 HE3 TRP A 92 6.727 -10.994 4.941 1.00 25.22 H new ATOM 0 HZ2 TRP A 92 3.385 -11.374 1.261 1.00 11.50 H new ATOM 0 HZ3 TRP A 92 6.624 -13.008 3.530 1.00 52.33 H new ATOM 0 HH2 TRP A 92 4.975 -13.193 1.710 1.00 52.51 H new ATOM 1525 N LYS A 93 4.532 -9.508 8.285 1.00 73.24 N ATOM 1526 CA LYS A 93 3.867 -10.630 8.937 1.00 61.12 C ATOM 1527 C LYS A 93 2.738 -10.144 9.839 1.00 13.43 C ATOM 1528 O LYS A 93 1.616 -10.646 9.771 1.00 12.12 O ATOM 1529 CB LYS A 93 4.875 -11.441 9.755 1.00 13.20 C ATOM 1530 CG LYS A 93 5.720 -12.384 8.917 1.00 43.12 C ATOM 1531 CD LYS A 93 7.039 -12.705 9.599 1.00 25.50 C ATOM 1532 CE LYS A 93 8.119 -11.701 9.226 1.00 22.20 C ATOM 1533 NZ LYS A 93 9.217 -11.668 10.232 1.00 52.41 N ATOM 0 H LYS A 93 5.494 -9.354 8.588 1.00 73.24 H new ATOM 0 HA LYS A 93 3.440 -11.267 8.162 1.00 61.12 H new ATOM 0 HB2 LYS A 93 5.532 -10.755 10.289 1.00 13.20 H new ATOM 0 HB3 LYS A 93 4.338 -12.019 10.507 1.00 13.20 H new ATOM 0 HG2 LYS A 93 5.168 -13.307 8.738 1.00 43.12 H new ATOM 0 HG3 LYS A 93 5.913 -11.933 7.943 1.00 43.12 H new ATOM 0 HD2 LYS A 93 6.900 -12.706 10.680 1.00 25.50 H new ATOM 0 HD3 LYS A 93 7.360 -13.708 9.318 1.00 25.50 H new ATOM 0 HE2 LYS A 93 8.529 -11.955 8.249 1.00 22.20 H new ATOM 0 HE3 LYS A 93 7.677 -10.708 9.138 1.00 22.20 H new ATOM 0 HZ1 LYS A 93 9.742 -10.775 10.144 1.00 52.41 H new ATOM 0 HZ2 LYS A 93 8.814 -11.740 11.188 1.00 52.41 H new ATOM 0 HZ3 LYS A 93 9.862 -12.467 10.068 1.00 52.41 H new ATOM 1547 N ASP A 94 3.041 -9.163 10.682 1.00 2.05 N ATOM 1548 CA ASP A 94 2.051 -8.607 11.597 1.00 54.33 C ATOM 1549 C ASP A 94 0.890 -7.983 10.827 1.00 25.11 C ATOM 1550 O ASP A 94 -0.268 -8.112 11.221 1.00 32.03 O ATOM 1551 CB ASP A 94 2.696 -7.561 12.507 1.00 51.40 C ATOM 1552 CG ASP A 94 1.708 -6.957 13.486 1.00 25.13 C ATOM 1553 OD1 ASP A 94 1.162 -7.711 14.319 1.00 3.12 O ATOM 1554 OD2 ASP A 94 1.483 -5.731 13.421 1.00 55.14 O ATOM 0 H ASP A 94 3.965 -8.736 10.751 1.00 2.05 H new ATOM 0 HA ASP A 94 1.662 -9.420 12.210 1.00 54.33 H new ATOM 0 HB2 ASP A 94 3.516 -8.020 13.059 1.00 51.40 H new ATOM 0 HB3 ASP A 94 3.128 -6.769 11.896 1.00 51.40 H new ATOM 1559 N GLN A 95 1.211 -7.307 9.729 1.00 42.32 N ATOM 1560 CA GLN A 95 0.195 -6.662 8.905 1.00 3.45 C ATOM 1561 C GLN A 95 -0.727 -7.696 8.268 1.00 24.25 C ATOM 1562 O GLN A 95 -1.951 -7.572 8.325 1.00 44.13 O ATOM 1563 CB GLN A 95 0.854 -5.810 7.819 1.00 63.43 C ATOM 1564 CG GLN A 95 1.146 -4.384 8.256 1.00 30.14 C ATOM 1565 CD GLN A 95 -0.098 -3.647 8.712 1.00 72.51 C ATOM 1566 OE1 GLN A 95 -0.262 -3.356 9.897 1.00 40.41 O ATOM 1567 NE2 GLN A 95 -0.984 -3.342 7.771 1.00 62.34 N ATOM 0 H GLN A 95 2.166 -7.192 9.389 1.00 42.32 H new ATOM 0 HA GLN A 95 -0.403 -6.017 9.549 1.00 3.45 H new ATOM 0 HB2 GLN A 95 1.786 -6.285 7.512 1.00 63.43 H new ATOM 0 HB3 GLN A 95 0.205 -5.787 6.944 1.00 63.43 H new ATOM 0 HG2 GLN A 95 1.873 -4.399 9.068 1.00 30.14 H new ATOM 0 HG3 GLN A 95 1.603 -3.841 7.429 1.00 30.14 H new ATOM 0 HE21 GLN A 95 -0.808 -3.602 6.801 1.00 62.34 H new ATOM 0 HE22 GLN A 95 -1.841 -2.847 8.018 1.00 62.34 H new ATOM 1576 N THR A 96 -0.131 -8.718 7.661 1.00 33.35 N ATOM 1577 CA THR A 96 -0.898 -9.774 7.012 1.00 14.33 C ATOM 1578 C THR A 96 -1.750 -10.535 8.022 1.00 54.43 C ATOM 1579 O THR A 96 -2.851 -10.985 7.705 1.00 55.24 O ATOM 1580 CB THR A 96 0.022 -10.769 6.281 1.00 3.11 C ATOM 1581 OG1 THR A 96 1.183 -11.036 7.075 1.00 25.31 O ATOM 1582 CG2 THR A 96 0.444 -10.221 4.926 1.00 75.01 C ATOM 0 H THR A 96 0.881 -8.836 7.605 1.00 33.35 H new ATOM 0 HA THR A 96 -1.548 -9.290 6.284 1.00 14.33 H new ATOM 0 HB THR A 96 -0.532 -11.695 6.124 1.00 3.11 H new ATOM 0 HG1 THR A 96 1.910 -10.437 6.804 1.00 25.31 H new ATOM 0 HG21 THR A 96 1.093 -10.941 4.428 1.00 75.01 H new ATOM 0 HG22 THR A 96 -0.440 -10.046 4.313 1.00 75.01 H new ATOM 0 HG23 THR A 96 0.982 -9.283 5.064 1.00 75.01 H new ATOM 1941 N PHE B -7 10.949 -15.125 9.345 1.00 21.55 N ATOM 1942 CA PHE B -7 12.110 -15.144 8.463 1.00 55.35 C ATOM 1943 C PHE B -7 13.365 -14.698 9.206 1.00 65.12 C ATOM 1944 O PHE B -7 14.207 -15.519 9.572 1.00 33.33 O ATOM 1945 CB PHE B -7 11.871 -14.238 7.253 1.00 52.13 C ATOM 1946 CG PHE B -7 10.790 -14.735 6.335 1.00 25.34 C ATOM 1947 CD1 PHE B -7 9.468 -14.376 6.542 1.00 63.32 C ATOM 1948 CD2 PHE B -7 11.097 -15.562 5.267 1.00 62.41 C ATOM 1949 CE1 PHE B -7 8.472 -14.832 5.699 1.00 13.13 C ATOM 1950 CE2 PHE B -7 10.105 -16.021 4.421 1.00 41.31 C ATOM 1951 CZ PHE B -7 8.791 -15.656 4.638 1.00 34.10 C ATOM 0 H1 PHE B -7 10.089 -14.959 8.784 1.00 21.55 H new ATOM 0 H2 PHE B -7 10.871 -16.038 9.836 1.00 21.55 H new ATOM 0 H3 PHE B -7 11.057 -14.364 10.045 1.00 21.55 H new ATOM 0 HA PHE B -7 12.258 -16.168 8.119 1.00 55.35 H new ATOM 0 HB2 PHE B -7 11.609 -13.240 7.603 1.00 52.13 H new ATOM 0 HB3 PHE B -7 12.800 -14.145 6.690 1.00 52.13 H new ATOM 0 HD1 PHE B -7 9.213 -13.733 7.371 1.00 63.32 H new ATOM 0 HD2 PHE B -7 12.123 -15.851 5.093 1.00 62.41 H new ATOM 0 HE1 PHE B -7 7.445 -14.544 5.870 1.00 13.13 H new ATOM 0 HE2 PHE B -7 10.357 -16.664 3.591 1.00 41.31 H new ATOM 0 HZ PHE B -7 8.014 -16.014 3.979 1.00 34.10 H new ATOM 1961 N ILE B -6 13.485 -13.393 9.424 1.00 52.23 N ATOM 1962 CA ILE B -6 14.637 -12.838 10.123 1.00 11.21 C ATOM 1963 C ILE B -6 15.942 -13.356 9.530 1.00 64.52 C ATOM 1964 O ILE B -6 16.590 -14.249 10.077 1.00 62.34 O ATOM 1965 CB ILE B -6 14.599 -13.175 11.625 1.00 3.45 C ATOM 1966 CG1 ILE B -6 13.219 -12.861 12.206 1.00 30.23 C ATOM 1967 CG2 ILE B -6 15.680 -12.403 12.368 1.00 21.53 C ATOM 1968 CD1 ILE B -6 12.798 -11.420 12.020 1.00 70.31 C ATOM 0 H ILE B -6 12.798 -12.700 9.126 1.00 52.23 H new ATOM 0 HA ILE B -6 14.590 -11.756 10.000 1.00 11.21 H new ATOM 0 HB ILE B -6 14.790 -14.241 11.748 1.00 3.45 H new ATOM 0 HG12 ILE B -6 12.480 -13.510 11.737 1.00 30.23 H new ATOM 0 HG13 ILE B -6 13.220 -13.096 13.270 1.00 30.23 H new ATOM 0 HG21 ILE B -6 15.641 -12.651 13.429 1.00 21.53 H new ATOM 0 HG22 ILE B -6 16.658 -12.671 11.968 1.00 21.53 H new ATOM 0 HG23 ILE B -6 15.516 -11.333 12.240 1.00 21.53 H new ATOM 0 HD11 ILE B -6 11.810 -11.270 12.456 1.00 70.31 H new ATOM 0 HD12 ILE B -6 13.516 -10.765 12.514 1.00 70.31 H new ATOM 0 HD13 ILE B -6 12.764 -11.185 10.956 1.00 70.31 H new ATOM 1980 N PRO B -5 16.341 -12.783 8.384 1.00 34.44 N ATOM 1981 CA PRO B -5 17.574 -13.170 7.693 1.00 72.24 C ATOM 1982 C PRO B -5 18.824 -12.744 8.455 1.00 60.13 C ATOM 1983 O PRO B -5 19.355 -11.655 8.236 1.00 33.22 O ATOM 1984 CB PRO B -5 17.481 -12.425 6.359 1.00 71.24 C ATOM 1985 CG PRO B -5 16.605 -11.253 6.639 1.00 32.44 C ATOM 1986 CD PRO B -5 15.618 -11.713 7.677 1.00 71.34 C ATOM 0 HA PRO B -5 17.660 -14.252 7.588 1.00 72.24 H new ATOM 0 HB2 PRO B -5 18.465 -12.110 6.012 1.00 71.24 H new ATOM 0 HB3 PRO B -5 17.057 -13.059 5.580 1.00 71.24 H new ATOM 0 HG2 PRO B -5 17.189 -10.407 7.003 1.00 32.44 H new ATOM 0 HG3 PRO B -5 16.095 -10.922 5.734 1.00 32.44 H new ATOM 0 HD2 PRO B -5 15.338 -10.904 8.351 1.00 71.34 H new ATOM 0 HD3 PRO B -5 14.699 -12.082 7.222 1.00 71.34 H new ATOM 1994 N SER B -4 19.290 -13.610 9.349 1.00 11.34 N ATOM 1995 CA SER B -4 20.476 -13.321 10.146 1.00 24.14 C ATOM 1996 C SER B -4 21.746 -13.547 9.331 1.00 3.45 C ATOM 1997 O SER B -4 22.855 -13.307 9.810 1.00 11.02 O ATOM 1998 CB SER B -4 20.500 -14.197 11.401 1.00 55.23 C ATOM 1999 OG SER B -4 20.366 -15.568 11.068 1.00 0.21 O ATOM 0 H SER B -4 18.864 -14.517 9.539 1.00 11.34 H new ATOM 0 HA SER B -4 20.437 -12.273 10.444 1.00 24.14 H new ATOM 0 HB2 SER B -4 21.434 -14.040 11.940 1.00 55.23 H new ATOM 0 HB3 SER B -4 19.692 -13.901 12.070 1.00 55.23 H new ATOM 0 HG SER B -4 20.386 -16.107 11.886 1.00 0.21 H new ATOM 2005 N ARG B -3 21.575 -14.009 8.097 1.00 25.34 N ATOM 2006 CA ARG B -3 22.707 -14.269 7.215 1.00 11.13 C ATOM 2007 C ARG B -3 23.648 -13.069 7.171 1.00 4.13 C ATOM 2008 O ARG B -3 23.278 -11.946 7.513 1.00 4.52 O ATOM 2009 CB ARG B -3 22.216 -14.597 5.804 1.00 31.42 C ATOM 2010 CG ARG B -3 21.819 -16.053 5.621 1.00 64.32 C ATOM 2011 CD ARG B -3 23.034 -16.968 5.636 1.00 3.32 C ATOM 2012 NE ARG B -3 23.709 -17.003 4.342 1.00 45.44 N ATOM 2013 CZ ARG B -3 23.216 -17.616 3.272 1.00 52.23 C ATOM 2014 NH1 ARG B -3 22.049 -18.241 3.341 1.00 31.45 N ATOM 2015 NH2 ARG B -3 23.890 -17.603 2.129 1.00 75.54 N ATOM 0 H ARG B -3 20.664 -14.211 7.685 1.00 25.34 H new ATOM 0 HA ARG B -3 23.255 -15.125 7.610 1.00 11.13 H new ATOM 0 HB2 ARG B -3 21.360 -13.964 5.570 1.00 31.42 H new ATOM 0 HB3 ARG B -3 23.001 -14.350 5.089 1.00 31.42 H new ATOM 0 HG2 ARG B -3 21.132 -16.346 6.414 1.00 64.32 H new ATOM 0 HG3 ARG B -3 21.286 -16.170 4.678 1.00 64.32 H new ATOM 0 HD2 ARG B -3 23.733 -16.629 6.400 1.00 3.32 H new ATOM 0 HD3 ARG B -3 22.725 -17.976 5.911 1.00 3.32 H new ATOM 0 HE ARG B -3 24.609 -16.531 4.255 1.00 45.44 H new ATOM 0 HH11 ARG B -3 21.527 -18.252 4.217 1.00 31.45 H new ATOM 0 HH12 ARG B -3 21.673 -18.711 2.518 1.00 31.45 H new ATOM 0 HH21 ARG B -3 24.788 -17.122 2.072 1.00 75.54 H new ATOM 0 HH22 ARG B -3 23.510 -18.074 1.308 1.00 75.54 H new ATOM 2029 N PRO B -2 24.896 -13.311 6.741 1.00 54.40 N ATOM 2030 CA PRO B -2 25.916 -12.263 6.642 1.00 11.41 C ATOM 2031 C PRO B -2 25.618 -11.268 5.526 1.00 44.54 C ATOM 2032 O PRO B -2 26.146 -10.156 5.516 1.00 54.43 O ATOM 2033 CB PRO B -2 27.197 -13.042 6.336 1.00 30.51 C ATOM 2034 CG PRO B -2 26.730 -14.298 5.684 1.00 53.20 C ATOM 2035 CD PRO B -2 25.406 -14.625 6.317 1.00 32.43 C ATOM 0 HA PRO B -2 25.973 -11.663 7.550 1.00 11.41 H new ATOM 0 HB2 PRO B -2 27.857 -12.476 5.678 1.00 30.51 H new ATOM 0 HB3 PRO B -2 27.759 -13.253 7.246 1.00 30.51 H new ATOM 0 HG2 PRO B -2 26.625 -14.163 4.607 1.00 53.20 H new ATOM 0 HG3 PRO B -2 27.446 -15.106 5.836 1.00 53.20 H new ATOM 0 HD2 PRO B -2 24.732 -15.109 5.610 1.00 32.43 H new ATOM 0 HD3 PRO B -2 25.522 -15.303 7.163 1.00 32.43 H new ATOM 2043 N ALA B -1 24.770 -11.675 4.587 1.00 45.33 N ATOM 2044 CA ALA B -1 24.401 -10.818 3.467 1.00 2.51 C ATOM 2045 C ALA B -1 25.606 -10.523 2.580 1.00 24.14 C ATOM 2046 O ALA B -1 26.273 -9.497 2.718 1.00 22.34 O ATOM 2047 CB ALA B -1 23.788 -9.521 3.975 1.00 72.01 C ATOM 0 H ALA B -1 24.326 -12.593 4.580 1.00 45.33 H new ATOM 0 HA ALA B -1 23.661 -11.347 2.866 1.00 2.51 H new ATOM 0 HB1 ALA B -1 23.517 -8.890 3.128 1.00 72.01 H new ATOM 0 HB2 ALA B -1 22.896 -9.745 4.561 1.00 72.01 H new ATOM 0 HB3 ALA B -1 24.511 -8.997 4.601 1.00 72.01 H new ATOM 2053 N PRO B 0 25.895 -11.443 1.648 1.00 72.11 N ATOM 2054 CA PRO B 0 27.021 -11.304 0.720 1.00 4.23 C ATOM 2055 C PRO B 0 26.797 -10.195 -0.302 1.00 73.34 C ATOM 2056 O PRO B 0 25.663 -9.779 -0.543 1.00 44.05 O ATOM 2057 CB PRO B 0 27.080 -12.667 0.027 1.00 65.21 C ATOM 2058 CG PRO B 0 25.694 -13.202 0.125 1.00 73.51 C ATOM 2059 CD PRO B 0 25.143 -12.690 1.427 1.00 51.32 C ATOM 0 HA PRO B 0 27.942 -11.033 1.235 1.00 4.23 H new ATOM 0 HB2 PRO B 0 27.394 -12.569 -1.012 1.00 65.21 H new ATOM 0 HB3 PRO B 0 27.795 -13.329 0.515 1.00 65.21 H new ATOM 0 HG2 PRO B 0 25.086 -12.866 -0.715 1.00 73.51 H new ATOM 0 HG3 PRO B 0 25.694 -14.292 0.103 1.00 73.51 H new ATOM 0 HD2 PRO B 0 24.070 -12.507 1.365 1.00 51.32 H new ATOM 0 HD3 PRO B 0 25.299 -13.402 2.237 1.00 51.32 H new ATOM 2067 N LYS B 1 27.883 -9.721 -0.902 1.00 43.20 N ATOM 2068 CA LYS B 1 27.806 -8.661 -1.901 1.00 33.42 C ATOM 2069 C LYS B 1 27.854 -9.239 -3.312 1.00 24.03 C ATOM 2070 O LYS B 1 28.294 -10.368 -3.531 1.00 51.13 O ATOM 2071 CB LYS B 1 28.950 -7.664 -1.707 1.00 24.43 C ATOM 2072 CG LYS B 1 28.636 -6.564 -0.708 1.00 53.23 C ATOM 2073 CD LYS B 1 28.851 -7.030 0.722 1.00 43.22 C ATOM 2074 CE LYS B 1 30.328 -7.041 1.088 1.00 54.13 C ATOM 2075 NZ LYS B 1 30.845 -5.669 1.349 1.00 34.01 N ATOM 0 H LYS B 1 28.828 -10.054 -0.714 1.00 43.20 H new ATOM 0 HA LYS B 1 26.856 -8.143 -1.772 1.00 33.42 H new ATOM 0 HB2 LYS B 1 29.837 -8.203 -1.375 1.00 24.43 H new ATOM 0 HB3 LYS B 1 29.193 -7.211 -2.668 1.00 24.43 H new ATOM 0 HG2 LYS B 1 29.268 -5.699 -0.908 1.00 53.23 H new ATOM 0 HG3 LYS B 1 27.603 -6.241 -0.835 1.00 53.23 H new ATOM 0 HD2 LYS B 1 28.311 -6.374 1.405 1.00 43.22 H new ATOM 0 HD3 LYS B 1 28.437 -8.031 0.846 1.00 43.22 H new ATOM 0 HE2 LYS B 1 30.478 -7.660 1.972 1.00 54.13 H new ATOM 0 HE3 LYS B 1 30.899 -7.497 0.279 1.00 54.13 H new ATOM 0 HZ1 LYS B 1 31.825 -5.727 1.693 1.00 34.01 H new ATOM 0 HZ2 LYS B 1 30.819 -5.115 0.469 1.00 34.01 H new ATOM 0 HZ3 LYS B 1 30.253 -5.206 2.067 1.00 34.01 H new ATOM 2089 N PRO B 2 27.394 -8.448 -4.292 1.00 40.02 N ATOM 2090 CA PRO B 2 27.377 -8.860 -5.699 1.00 13.40 C ATOM 2091 C PRO B 2 28.778 -8.948 -6.294 1.00 53.24 C ATOM 2092 O PRO B 2 29.756 -8.476 -5.714 1.00 72.31 O ATOM 2093 CB PRO B 2 26.574 -7.750 -6.383 1.00 72.42 C ATOM 2094 CG PRO B 2 26.749 -6.559 -5.506 1.00 21.43 C ATOM 2095 CD PRO B 2 26.855 -7.091 -4.103 1.00 5.40 C ATOM 0 HA PRO B 2 26.951 -9.855 -5.828 1.00 13.40 H new ATOM 0 HB2 PRO B 2 26.944 -7.557 -7.390 1.00 72.42 H new ATOM 0 HB3 PRO B 2 25.523 -8.022 -6.476 1.00 72.42 H new ATOM 0 HG2 PRO B 2 27.644 -6.000 -5.780 1.00 21.43 H new ATOM 0 HG3 PRO B 2 25.905 -5.876 -5.602 1.00 21.43 H new ATOM 0 HD2 PRO B 2 27.516 -6.478 -3.490 1.00 5.40 H new ATOM 0 HD3 PRO B 2 25.885 -7.110 -3.606 1.00 5.40 H new ATOM 2103 N PRO B 3 28.880 -9.565 -7.481 1.00 34.53 N ATOM 2104 CA PRO B 3 30.157 -9.729 -8.181 1.00 0.10 C ATOM 2105 C PRO B 3 30.700 -8.407 -8.712 1.00 41.23 C ATOM 2106 O PRO B 3 30.105 -7.350 -8.500 1.00 62.31 O ATOM 2107 CB PRO B 3 29.809 -10.668 -9.339 1.00 23.14 C ATOM 2108 CG PRO B 3 28.354 -10.455 -9.576 1.00 1.53 C ATOM 2109 CD PRO B 3 27.755 -10.151 -8.230 1.00 25.40 C ATOM 0 HA PRO B 3 30.936 -10.113 -7.523 1.00 0.10 H new ATOM 0 HB2 PRO B 3 30.393 -10.433 -10.229 1.00 23.14 H new ATOM 0 HB3 PRO B 3 30.021 -11.706 -9.084 1.00 23.14 H new ATOM 0 HG2 PRO B 3 28.188 -9.632 -10.272 1.00 1.53 H new ATOM 0 HG3 PRO B 3 27.896 -11.341 -10.016 1.00 1.53 H new ATOM 0 HD2 PRO B 3 26.919 -9.456 -8.310 1.00 25.40 H new ATOM 0 HD3 PRO B 3 27.376 -11.051 -7.746 1.00 25.40 H new