USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 819 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 25 ASN : amide:sc= -0.314 K(o=-2.5,f=-5.9!) USER MOD Set 1.2: A 90 MET CE :methyl -134:sc= -2.22 (180deg=-3.21!) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 109 HIS : no HD1:sc= 0.677 K(o=0.68,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 161:sc= -0.101 (180deg=-0.57) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.0466 (180deg=-0.273) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0635) USER MOD Single : A 10 CYS SG : rot 46:sc= -0.141 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.777 K(o=0.78,f=-7.8!) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= 0.573 (180deg=0.415) USER MOD Single : A 33 SER OG : rot -100:sc= 1.29 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 44 SER OG : rot 71:sc= 0.484 USER MOD Single : A 46 MET CE :methyl 157:sc= -0.103 (180deg=-0.885) USER MOD Single : A 47 THR OG1 : rot 67:sc= 1.25 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0119 (180deg=-0.18) USER MOD Single : A 57 SER OG : rot 50:sc= 1.45 USER MOD Single : A 58 SER OG : rot -93:sc= 1.29 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -165:sc= 1.28 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 174:sc=-0.00661 (180deg=-0.0828) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0.305 USER MOD Single : A 87 GLN : amide:sc= -1.46! C(o=-1.5!,f=-1.8!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 81:sc= 0.958 USER MOD Single : A 104 HIS : no HD1:sc= -0.0573 X(o=-0.057,f=-0.24) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 106 HIS : no HD1:sc= 0.417 K(o=0.42,f=-2.8!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.876 -22.166 -43.848 1.00 45.10 N ATOM 2 CA MET A 1 15.053 -22.546 -44.662 1.00 74.22 C ATOM 3 C MET A 1 16.329 -21.960 -44.074 1.00 44.43 C ATOM 4 O MET A 1 16.544 -20.749 -44.134 1.00 44.24 O ATOM 5 CB MET A 1 14.876 -22.060 -46.105 1.00 22.03 C ATOM 6 CG MET A 1 16.047 -22.396 -47.014 1.00 74.52 C ATOM 7 SD MET A 1 15.846 -21.741 -48.682 1.00 72.54 S ATOM 8 CE MET A 1 17.376 -22.293 -49.433 1.00 33.30 C ATOM 0 H1 MET A 1 13.017 -22.576 -44.267 1.00 45.10 H new ATOM 0 H2 MET A 1 13.994 -22.525 -42.879 1.00 45.10 H new ATOM 0 H3 MET A 1 13.789 -21.130 -43.826 1.00 45.10 H new ATOM 0 HA MET A 1 15.135 -23.633 -44.656 1.00 74.22 H new ATOM 0 HB2 MET A 1 13.969 -22.501 -46.518 1.00 22.03 H new ATOM 0 HB3 MET A 1 14.731 -20.980 -46.099 1.00 22.03 H new ATOM 0 HG2 MET A 1 16.964 -21.998 -46.580 1.00 74.52 H new ATOM 0 HG3 MET A 1 16.163 -23.479 -47.065 1.00 74.52 H new ATOM 0 HE1 MET A 1 17.409 -21.967 -50.473 1.00 33.30 H new ATOM 0 HE2 MET A 1 18.221 -21.867 -48.892 1.00 33.30 H new ATOM 0 HE3 MET A 1 17.430 -23.381 -49.392 1.00 33.30 H new ATOM 20 N ALA A 2 17.154 -22.838 -43.505 1.00 14.32 N ATOM 21 CA ALA A 2 18.437 -22.465 -42.910 1.00 54.44 C ATOM 22 C ALA A 2 18.323 -21.256 -41.989 1.00 22.45 C ATOM 23 O ALA A 2 18.927 -20.209 -42.239 1.00 74.52 O ATOM 24 CB ALA A 2 19.472 -22.213 -43.990 1.00 30.23 C ATOM 0 H ALA A 2 16.950 -23.835 -43.443 1.00 14.32 H new ATOM 0 HA ALA A 2 18.759 -23.306 -42.296 1.00 54.44 H new ATOM 0 HB1 ALA A 2 20.420 -21.937 -43.528 1.00 30.23 H new ATOM 0 HB2 ALA A 2 19.607 -23.118 -44.583 1.00 30.23 H new ATOM 0 HB3 ALA A 2 19.134 -21.403 -44.636 1.00 30.23 H new ATOM 30 N MET A 3 17.530 -21.392 -40.938 1.00 20.21 N ATOM 31 CA MET A 3 17.424 -20.344 -39.938 1.00 40.24 C ATOM 32 C MET A 3 17.274 -20.950 -38.551 1.00 61.00 C ATOM 33 O MET A 3 16.166 -21.249 -38.103 1.00 52.24 O ATOM 34 CB MET A 3 16.259 -19.395 -40.241 1.00 4.21 C ATOM 35 CG MET A 3 16.206 -18.192 -39.309 1.00 34.44 C ATOM 36 SD MET A 3 14.853 -17.059 -39.687 1.00 13.20 S ATOM 37 CE MET A 3 13.441 -18.120 -39.394 1.00 10.32 C ATOM 0 H MET A 3 16.953 -22.214 -40.757 1.00 20.21 H new ATOM 0 HA MET A 3 18.343 -19.758 -39.968 1.00 40.24 H new ATOM 0 HB2 MET A 3 16.342 -19.046 -41.270 1.00 4.21 H new ATOM 0 HB3 MET A 3 15.321 -19.946 -40.166 1.00 4.21 H new ATOM 0 HG2 MET A 3 16.103 -18.541 -38.281 1.00 34.44 H new ATOM 0 HG3 MET A 3 17.151 -17.652 -39.369 1.00 34.44 H new ATOM 0 HE1 MET A 3 12.550 -17.509 -39.252 1.00 10.32 H new ATOM 0 HE2 MET A 3 13.296 -18.778 -40.251 1.00 10.32 H new ATOM 0 HE3 MET A 3 13.616 -18.720 -38.501 1.00 10.32 H new ATOM 47 N LYS A 4 18.404 -21.175 -37.903 1.00 61.23 N ATOM 48 CA LYS A 4 18.425 -21.684 -36.544 1.00 71.33 C ATOM 49 C LYS A 4 19.125 -20.688 -35.631 1.00 55.33 C ATOM 50 O LYS A 4 20.330 -20.792 -35.377 1.00 12.31 O ATOM 51 CB LYS A 4 19.135 -23.039 -36.491 1.00 72.25 C ATOM 52 CG LYS A 4 18.515 -24.084 -37.404 1.00 63.14 C ATOM 53 CD LYS A 4 19.293 -25.386 -37.368 1.00 43.51 C ATOM 54 CE LYS A 4 18.678 -26.424 -38.289 1.00 0.13 C ATOM 55 NZ LYS A 4 17.284 -26.759 -37.893 1.00 12.15 N ATOM 0 H LYS A 4 19.328 -21.011 -38.302 1.00 61.23 H new ATOM 0 HA LYS A 4 17.398 -21.819 -36.203 1.00 71.33 H new ATOM 0 HB2 LYS A 4 20.181 -22.903 -36.765 1.00 72.25 H new ATOM 0 HB3 LYS A 4 19.120 -23.409 -35.466 1.00 72.25 H new ATOM 0 HG2 LYS A 4 17.484 -24.267 -37.102 1.00 63.14 H new ATOM 0 HG3 LYS A 4 18.485 -23.705 -38.425 1.00 63.14 H new ATOM 0 HD2 LYS A 4 20.326 -25.202 -37.663 1.00 43.51 H new ATOM 0 HD3 LYS A 4 19.316 -25.770 -36.348 1.00 43.51 H new ATOM 0 HE2 LYS A 4 18.685 -26.051 -39.313 1.00 0.13 H new ATOM 0 HE3 LYS A 4 19.287 -27.328 -38.275 1.00 0.13 H new ATOM 0 HZ1 LYS A 4 16.982 -27.625 -38.383 1.00 12.15 H new ATOM 0 HZ2 LYS A 4 17.242 -26.911 -36.865 1.00 12.15 H new ATOM 0 HZ3 LYS A 4 16.651 -25.976 -38.153 1.00 12.15 H new ATOM 69 N ASP A 5 18.375 -19.705 -35.161 1.00 45.40 N ATOM 70 CA ASP A 5 18.938 -18.657 -34.326 1.00 24.44 C ATOM 71 C ASP A 5 18.209 -18.602 -32.990 1.00 3.12 C ATOM 72 O ASP A 5 17.103 -18.066 -32.891 1.00 64.31 O ATOM 73 CB ASP A 5 18.855 -17.304 -35.037 1.00 54.44 C ATOM 74 CG ASP A 5 19.730 -16.252 -34.388 1.00 21.30 C ATOM 75 OD1 ASP A 5 19.256 -15.553 -33.472 1.00 75.43 O ATOM 76 OD2 ASP A 5 20.900 -16.114 -34.806 1.00 2.24 O ATOM 0 H ASP A 5 17.376 -19.611 -35.343 1.00 45.40 H new ATOM 0 HA ASP A 5 19.988 -18.884 -34.141 1.00 24.44 H new ATOM 0 HB2 ASP A 5 19.152 -17.426 -36.079 1.00 54.44 H new ATOM 0 HB3 ASP A 5 17.820 -16.961 -35.038 1.00 54.44 H new ATOM 81 N VAL A 6 18.821 -19.188 -31.975 1.00 22.40 N ATOM 82 CA VAL A 6 18.222 -19.247 -30.652 1.00 11.30 C ATOM 83 C VAL A 6 18.506 -17.964 -29.877 1.00 54.24 C ATOM 84 O VAL A 6 19.665 -17.597 -29.670 1.00 61.14 O ATOM 85 CB VAL A 6 18.752 -20.451 -29.849 1.00 71.41 C ATOM 86 CG1 VAL A 6 18.035 -20.569 -28.514 1.00 60.24 C ATOM 87 CG2 VAL A 6 18.607 -21.737 -30.648 1.00 41.15 C ATOM 0 H VAL A 6 19.737 -19.632 -32.042 1.00 22.40 H new ATOM 0 HA VAL A 6 17.147 -19.362 -30.788 1.00 11.30 H new ATOM 0 HB VAL A 6 19.812 -20.286 -29.654 1.00 71.41 H new ATOM 0 HG11 VAL A 6 18.426 -21.426 -27.965 1.00 60.24 H new ATOM 0 HG12 VAL A 6 18.197 -19.661 -27.933 1.00 60.24 H new ATOM 0 HG13 VAL A 6 16.967 -20.705 -28.685 1.00 60.24 H new ATOM 0 HG21 VAL A 6 18.987 -22.574 -30.062 1.00 41.15 H new ATOM 0 HG22 VAL A 6 17.555 -21.905 -30.880 1.00 41.15 H new ATOM 0 HG23 VAL A 6 19.174 -21.655 -31.575 1.00 41.15 H new ATOM 97 N VAL A 7 17.453 -17.282 -29.458 1.00 11.12 N ATOM 98 CA VAL A 7 17.595 -16.050 -28.695 1.00 64.21 C ATOM 99 C VAL A 7 16.732 -16.098 -27.435 1.00 1.41 C ATOM 100 O VAL A 7 15.583 -16.547 -27.471 1.00 33.51 O ATOM 101 CB VAL A 7 17.236 -14.807 -29.548 1.00 23.11 C ATOM 102 CG1 VAL A 7 15.807 -14.884 -30.062 1.00 71.42 C ATOM 103 CG2 VAL A 7 17.452 -13.526 -28.754 1.00 23.20 C ATOM 0 H VAL A 7 16.487 -17.560 -29.633 1.00 11.12 H new ATOM 0 HA VAL A 7 18.641 -15.962 -28.403 1.00 64.21 H new ATOM 0 HB VAL A 7 17.902 -14.794 -30.411 1.00 23.11 H new ATOM 0 HG11 VAL A 7 15.586 -13.998 -30.657 1.00 71.42 H new ATOM 0 HG12 VAL A 7 15.690 -15.774 -30.680 1.00 71.42 H new ATOM 0 HG13 VAL A 7 15.119 -14.936 -29.218 1.00 71.42 H new ATOM 0 HG21 VAL A 7 17.194 -12.667 -29.373 1.00 23.20 H new ATOM 0 HG22 VAL A 7 16.820 -13.537 -27.866 1.00 23.20 H new ATOM 0 HG23 VAL A 7 18.498 -13.456 -28.454 1.00 23.20 H new ATOM 113 N ASP A 8 17.302 -15.661 -26.320 1.00 41.14 N ATOM 114 CA ASP A 8 16.603 -15.664 -25.040 1.00 5.24 C ATOM 115 C ASP A 8 17.281 -14.717 -24.070 1.00 53.32 C ATOM 116 O ASP A 8 18.507 -14.717 -23.934 1.00 73.33 O ATOM 117 CB ASP A 8 16.552 -17.076 -24.455 1.00 53.55 C ATOM 118 CG ASP A 8 15.783 -17.135 -23.152 1.00 42.23 C ATOM 119 OD1 ASP A 8 14.540 -17.033 -23.184 1.00 30.10 O ATOM 120 OD2 ASP A 8 16.416 -17.285 -22.088 1.00 74.11 O ATOM 0 H ASP A 8 18.254 -15.297 -26.276 1.00 41.14 H new ATOM 0 HA ASP A 8 15.581 -15.325 -25.206 1.00 5.24 H new ATOM 0 HB2 ASP A 8 16.089 -17.749 -25.177 1.00 53.55 H new ATOM 0 HB3 ASP A 8 17.568 -17.435 -24.290 1.00 53.55 H new ATOM 125 N LYS A 9 16.482 -13.905 -23.407 1.00 31.00 N ATOM 126 CA LYS A 9 17.008 -12.876 -22.537 1.00 43.14 C ATOM 127 C LYS A 9 16.515 -13.046 -21.105 1.00 51.12 C ATOM 128 O LYS A 9 15.529 -13.740 -20.850 1.00 44.25 O ATOM 129 CB LYS A 9 16.647 -11.488 -23.087 1.00 21.35 C ATOM 130 CG LYS A 9 15.190 -11.311 -23.517 1.00 65.20 C ATOM 131 CD LYS A 9 14.230 -11.268 -22.336 1.00 51.42 C ATOM 132 CE LYS A 9 12.806 -10.974 -22.783 1.00 24.22 C ATOM 133 NZ LYS A 9 12.641 -9.565 -23.232 1.00 13.31 N ATOM 0 H LYS A 9 15.464 -13.939 -23.455 1.00 31.00 H new ATOM 0 HA LYS A 9 18.094 -12.971 -22.514 1.00 43.14 H new ATOM 0 HB2 LYS A 9 16.876 -10.743 -22.325 1.00 21.35 H new ATOM 0 HB3 LYS A 9 17.289 -11.277 -23.942 1.00 21.35 H new ATOM 0 HG2 LYS A 9 15.094 -10.390 -24.091 1.00 65.20 H new ATOM 0 HG3 LYS A 9 14.909 -12.130 -24.179 1.00 65.20 H new ATOM 0 HD2 LYS A 9 14.257 -12.222 -21.809 1.00 51.42 H new ATOM 0 HD3 LYS A 9 14.555 -10.504 -21.629 1.00 51.42 H new ATOM 0 HE2 LYS A 9 12.535 -11.647 -23.596 1.00 24.22 H new ATOM 0 HE3 LYS A 9 12.119 -11.175 -21.961 1.00 24.22 H new ATOM 0 HZ1 LYS A 9 11.630 -9.359 -23.366 1.00 13.31 H new ATOM 0 HZ2 LYS A 9 13.033 -8.923 -22.513 1.00 13.31 H new ATOM 0 HZ3 LYS A 9 13.145 -9.426 -24.131 1.00 13.31 H new ATOM 147 N CYS A 10 17.210 -12.409 -20.180 1.00 22.45 N ATOM 148 CA CYS A 10 16.827 -12.426 -18.780 1.00 10.42 C ATOM 149 C CYS A 10 16.673 -11.000 -18.265 1.00 44.21 C ATOM 150 O CYS A 10 17.647 -10.355 -17.879 1.00 42.11 O ATOM 151 CB CYS A 10 17.860 -13.203 -17.952 1.00 72.23 C ATOM 152 SG CYS A 10 19.575 -12.701 -18.246 1.00 12.32 S ATOM 0 H CYS A 10 18.052 -11.868 -20.377 1.00 22.45 H new ATOM 0 HA CYS A 10 15.867 -12.933 -18.680 1.00 10.42 H new ATOM 0 HB2 CYS A 10 17.632 -13.075 -16.894 1.00 72.23 H new ATOM 0 HB3 CYS A 10 17.761 -14.266 -18.173 1.00 72.23 H new ATOM 0 HG CYS A 10 19.653 -11.403 -18.246 1.00 12.32 H new ATOM 158 N SER A 11 15.447 -10.500 -18.296 1.00 21.21 N ATOM 159 CA SER A 11 15.168 -9.143 -17.857 1.00 75.01 C ATOM 160 C SER A 11 13.696 -8.996 -17.492 1.00 10.41 C ATOM 161 O SER A 11 12.847 -8.754 -18.356 1.00 53.14 O ATOM 162 CB SER A 11 15.553 -8.137 -18.951 1.00 61.43 C ATOM 163 OG SER A 11 15.439 -6.799 -18.489 1.00 52.34 O ATOM 0 H SER A 11 14.629 -11.015 -18.621 1.00 21.21 H new ATOM 0 HA SER A 11 15.767 -8.935 -16.970 1.00 75.01 H new ATOM 0 HB2 SER A 11 16.576 -8.325 -19.276 1.00 61.43 H new ATOM 0 HB3 SER A 11 14.911 -8.279 -19.820 1.00 61.43 H new ATOM 0 HG SER A 11 15.692 -6.182 -19.207 1.00 52.34 H new ATOM 169 N THR A 12 13.389 -9.205 -16.225 1.00 43.04 N ATOM 170 CA THR A 12 12.037 -9.016 -15.722 1.00 34.03 C ATOM 171 C THR A 12 12.064 -8.727 -14.221 1.00 31.03 C ATOM 172 O THR A 12 11.083 -8.247 -13.649 1.00 14.21 O ATOM 173 CB THR A 12 11.144 -10.250 -16.014 1.00 21.22 C ATOM 174 OG1 THR A 12 9.769 -9.964 -15.713 1.00 12.14 O ATOM 175 CG2 THR A 12 11.596 -11.464 -15.212 1.00 4.34 C ATOM 0 H THR A 12 14.061 -9.508 -15.520 1.00 43.04 H new ATOM 0 HA THR A 12 11.606 -8.161 -16.242 1.00 34.03 H new ATOM 0 HB THR A 12 11.241 -10.477 -17.076 1.00 21.22 H new ATOM 0 HG1 THR A 12 9.221 -10.754 -15.905 1.00 12.14 H new ATOM 0 HG21 THR A 12 10.950 -12.312 -15.440 1.00 4.34 H new ATOM 0 HG22 THR A 12 12.625 -11.711 -15.475 1.00 4.34 H new ATOM 0 HG23 THR A 12 11.538 -11.239 -14.147 1.00 4.34 H new ATOM 183 N LYS A 13 13.195 -9.026 -13.594 1.00 34.30 N ATOM 184 CA LYS A 13 13.380 -8.792 -12.171 1.00 51.50 C ATOM 185 C LYS A 13 14.475 -7.756 -11.954 1.00 61.42 C ATOM 186 O LYS A 13 15.496 -7.777 -12.643 1.00 32.34 O ATOM 187 CB LYS A 13 13.765 -10.103 -11.485 1.00 2.33 C ATOM 188 CG LYS A 13 12.741 -11.214 -11.667 1.00 4.31 C ATOM 189 CD LYS A 13 13.350 -12.582 -11.401 1.00 44.13 C ATOM 190 CE LYS A 13 13.861 -12.716 -9.976 1.00 10.31 C ATOM 191 NZ LYS A 13 14.548 -14.016 -9.759 1.00 54.44 N ATOM 0 H LYS A 13 14.006 -9.436 -14.057 1.00 34.30 H new ATOM 0 HA LYS A 13 12.449 -8.419 -11.743 1.00 51.50 H new ATOM 0 HB2 LYS A 13 14.725 -10.439 -11.876 1.00 2.33 H new ATOM 0 HB3 LYS A 13 13.902 -9.918 -10.419 1.00 2.33 H new ATOM 0 HG2 LYS A 13 11.901 -11.051 -10.991 1.00 4.31 H new ATOM 0 HG3 LYS A 13 12.344 -11.182 -12.682 1.00 4.31 H new ATOM 0 HD2 LYS A 13 12.604 -13.353 -11.592 1.00 44.13 H new ATOM 0 HD3 LYS A 13 14.171 -12.754 -12.097 1.00 44.13 H new ATOM 0 HE2 LYS A 13 14.549 -11.900 -9.758 1.00 10.31 H new ATOM 0 HE3 LYS A 13 13.027 -12.624 -9.280 1.00 10.31 H new ATOM 0 HZ1 LYS A 13 14.883 -14.072 -8.776 1.00 54.44 H new ATOM 0 HZ2 LYS A 13 13.884 -14.795 -9.943 1.00 54.44 H new ATOM 0 HZ3 LYS A 13 15.359 -14.092 -10.406 1.00 54.44 H new ATOM 205 N GLY A 14 14.264 -6.847 -11.017 1.00 2.43 N ATOM 206 CA GLY A 14 15.277 -5.853 -10.733 1.00 23.14 C ATOM 207 C GLY A 14 14.751 -4.661 -9.966 1.00 54.30 C ATOM 208 O GLY A 14 14.297 -3.689 -10.570 1.00 14.10 O ATOM 0 H GLY A 14 13.418 -6.779 -10.452 1.00 2.43 H new ATOM 0 HA2 GLY A 14 16.081 -6.317 -10.162 1.00 23.14 H new ATOM 0 HA3 GLY A 14 15.711 -5.509 -11.672 1.00 23.14 H new ATOM 212 N CYS A 15 14.821 -4.747 -8.637 1.00 54.04 N ATOM 213 CA CYS A 15 14.449 -3.649 -7.746 1.00 13.24 C ATOM 214 C CYS A 15 13.027 -3.153 -8.018 1.00 41.23 C ATOM 215 O CYS A 15 12.813 -2.229 -8.807 1.00 21.41 O ATOM 216 CB CYS A 15 15.455 -2.497 -7.873 1.00 23.40 C ATOM 217 SG CYS A 15 15.256 -1.186 -6.641 1.00 64.13 S ATOM 0 H CYS A 15 15.139 -5.583 -8.147 1.00 54.04 H new ATOM 0 HA CYS A 15 14.472 -4.029 -6.725 1.00 13.24 H new ATOM 0 HB2 CYS A 15 16.464 -2.902 -7.794 1.00 23.40 H new ATOM 0 HB3 CYS A 15 15.364 -2.060 -8.868 1.00 23.40 H new ATOM 0 HG CYS A 15 16.154 -0.267 -6.837 1.00 64.13 H new ATOM 223 N ALA A 16 12.054 -3.778 -7.371 1.00 31.11 N ATOM 224 CA ALA A 16 10.662 -3.403 -7.555 1.00 75.45 C ATOM 225 C ALA A 16 9.989 -3.107 -6.221 1.00 51.24 C ATOM 226 O ALA A 16 9.551 -1.983 -5.970 1.00 62.52 O ATOM 227 CB ALA A 16 9.912 -4.499 -8.299 1.00 4.03 C ATOM 0 H ALA A 16 12.203 -4.545 -6.716 1.00 31.11 H new ATOM 0 HA ALA A 16 10.635 -2.492 -8.152 1.00 75.45 H new ATOM 0 HB1 ALA A 16 8.871 -4.204 -8.429 1.00 4.03 H new ATOM 0 HB2 ALA A 16 10.370 -4.655 -9.276 1.00 4.03 H new ATOM 0 HB3 ALA A 16 9.957 -5.425 -7.725 1.00 4.03 H new ATOM 233 N ILE A 17 9.929 -4.111 -5.358 1.00 64.25 N ATOM 234 CA ILE A 17 9.200 -3.992 -4.105 1.00 74.24 C ATOM 235 C ILE A 17 10.131 -3.774 -2.912 1.00 61.12 C ATOM 236 O ILE A 17 10.412 -4.697 -2.146 1.00 22.44 O ATOM 237 CB ILE A 17 8.292 -5.215 -3.855 1.00 10.02 C ATOM 238 CG1 ILE A 17 9.069 -6.524 -4.051 1.00 52.24 C ATOM 239 CG2 ILE A 17 7.083 -5.163 -4.779 1.00 75.24 C ATOM 240 CD1 ILE A 17 8.266 -7.767 -3.724 1.00 63.23 C ATOM 0 H ILE A 17 10.376 -5.016 -5.503 1.00 64.25 H new ATOM 0 HA ILE A 17 8.569 -3.108 -4.203 1.00 74.24 H new ATOM 0 HB ILE A 17 7.946 -5.185 -2.822 1.00 10.02 H new ATOM 0 HG12 ILE A 17 9.408 -6.583 -5.085 1.00 52.24 H new ATOM 0 HG13 ILE A 17 9.961 -6.504 -3.424 1.00 52.24 H new ATOM 0 HG21 ILE A 17 6.448 -6.030 -4.596 1.00 75.24 H new ATOM 0 HG22 ILE A 17 6.517 -4.251 -4.587 1.00 75.24 H new ATOM 0 HG23 ILE A 17 7.417 -5.171 -5.816 1.00 75.24 H new ATOM 0 HD11 ILE A 17 8.882 -8.651 -3.887 1.00 63.23 H new ATOM 0 HD12 ILE A 17 7.950 -7.732 -2.682 1.00 63.23 H new ATOM 0 HD13 ILE A 17 7.388 -7.813 -4.368 1.00 63.23 H new ATOM 252 N ASP A 18 10.624 -2.544 -2.793 1.00 11.41 N ATOM 253 CA ASP A 18 11.423 -2.114 -1.644 1.00 11.42 C ATOM 254 C ASP A 18 11.787 -0.644 -1.790 1.00 33.34 C ATOM 255 O ASP A 18 12.652 -0.281 -2.592 1.00 14.43 O ATOM 256 CB ASP A 18 12.702 -2.945 -1.481 1.00 43.43 C ATOM 257 CG ASP A 18 13.475 -2.558 -0.233 1.00 61.32 C ATOM 258 OD1 ASP A 18 13.041 -2.925 0.883 1.00 5.30 O ATOM 259 OD2 ASP A 18 14.522 -1.894 -0.357 1.00 25.13 O ATOM 0 H ASP A 18 10.482 -1.814 -3.491 1.00 11.41 H new ATOM 0 HA ASP A 18 10.815 -2.265 -0.752 1.00 11.42 H new ATOM 0 HB2 ASP A 18 12.444 -4.003 -1.434 1.00 43.43 H new ATOM 0 HB3 ASP A 18 13.336 -2.810 -2.357 1.00 43.43 H new ATOM 264 N ILE A 19 11.113 0.199 -1.028 1.00 74.24 N ATOM 265 CA ILE A 19 11.317 1.637 -1.109 1.00 42.53 C ATOM 266 C ILE A 19 12.406 2.086 -0.143 1.00 70.51 C ATOM 267 O ILE A 19 13.448 2.598 -0.555 1.00 72.25 O ATOM 268 CB ILE A 19 10.012 2.404 -0.801 1.00 32.30 C ATOM 269 CG1 ILE A 19 8.915 2.008 -1.796 1.00 65.23 C ATOM 270 CG2 ILE A 19 10.254 3.908 -0.831 1.00 60.31 C ATOM 271 CD1 ILE A 19 7.593 2.705 -1.561 1.00 33.52 C ATOM 0 H ILE A 19 10.415 -0.088 -0.342 1.00 74.24 H new ATOM 0 HA ILE A 19 11.627 1.863 -2.129 1.00 42.53 H new ATOM 0 HB ILE A 19 9.679 2.136 0.202 1.00 32.30 H new ATOM 0 HG12 ILE A 19 9.257 2.231 -2.807 1.00 65.23 H new ATOM 0 HG13 ILE A 19 8.761 0.930 -1.742 1.00 65.23 H new ATOM 0 HG21 ILE A 19 9.323 4.431 -0.612 1.00 60.31 H new ATOM 0 HG22 ILE A 19 11.003 4.171 -0.084 1.00 60.31 H new ATOM 0 HG23 ILE A 19 10.610 4.200 -1.819 1.00 60.31 H new ATOM 0 HD11 ILE A 19 6.869 2.372 -2.305 1.00 33.52 H new ATOM 0 HD12 ILE A 19 7.226 2.463 -0.564 1.00 33.52 H new ATOM 0 HD13 ILE A 19 7.730 3.783 -1.645 1.00 33.52 H new ATOM 283 N GLY A 20 12.165 1.871 1.140 1.00 11.22 N ATOM 284 CA GLY A 20 13.098 2.314 2.153 1.00 44.33 C ATOM 285 C GLY A 20 12.445 3.255 3.139 1.00 2.24 C ATOM 286 O GLY A 20 13.082 4.170 3.658 1.00 53.24 O ATOM 0 H GLY A 20 11.337 1.396 1.499 1.00 11.22 H new ATOM 0 HA2 GLY A 20 13.497 1.450 2.684 1.00 44.33 H new ATOM 0 HA3 GLY A 20 13.942 2.813 1.677 1.00 44.33 H new ATOM 290 N THR A 21 11.164 3.039 3.386 1.00 33.41 N ATOM 291 CA THR A 21 10.418 3.858 4.320 1.00 31.00 C ATOM 292 C THR A 21 9.771 2.981 5.388 1.00 33.15 C ATOM 293 O THR A 21 9.015 2.056 5.075 1.00 44.31 O ATOM 294 CB THR A 21 9.336 4.681 3.591 1.00 34.13 C ATOM 295 OG1 THR A 21 9.926 5.391 2.492 1.00 33.13 O ATOM 296 CG2 THR A 21 8.673 5.672 4.538 1.00 74.20 C ATOM 0 H THR A 21 10.618 2.297 2.948 1.00 33.41 H new ATOM 0 HA THR A 21 11.114 4.549 4.796 1.00 31.00 H new ATOM 0 HB THR A 21 8.575 3.993 3.222 1.00 34.13 H new ATOM 0 HG1 THR A 21 9.236 5.911 2.030 1.00 33.13 H new ATOM 0 HG21 THR A 21 7.914 6.239 3.998 1.00 74.20 H new ATOM 0 HG22 THR A 21 8.205 5.132 5.361 1.00 74.20 H new ATOM 0 HG23 THR A 21 9.424 6.356 4.933 1.00 74.20 H new ATOM 304 N VAL A 22 10.095 3.252 6.641 1.00 35.32 N ATOM 305 CA VAL A 22 9.532 2.500 7.750 1.00 61.21 C ATOM 306 C VAL A 22 8.212 3.117 8.205 1.00 23.10 C ATOM 307 O VAL A 22 8.009 4.326 8.095 1.00 74.31 O ATOM 308 CB VAL A 22 10.509 2.426 8.945 1.00 24.12 C ATOM 309 CG1 VAL A 22 11.781 1.691 8.550 1.00 23.13 C ATOM 310 CG2 VAL A 22 10.840 3.819 9.473 1.00 42.04 C ATOM 0 H VAL A 22 10.746 3.988 6.916 1.00 35.32 H new ATOM 0 HA VAL A 22 9.352 1.486 7.392 1.00 61.21 H new ATOM 0 HB VAL A 22 10.019 1.870 9.745 1.00 24.12 H new ATOM 0 HG11 VAL A 22 12.457 1.649 9.404 1.00 23.13 H new ATOM 0 HG12 VAL A 22 11.533 0.678 8.233 1.00 23.13 H new ATOM 0 HG13 VAL A 22 12.266 2.219 7.729 1.00 23.13 H new ATOM 0 HG21 VAL A 22 11.529 3.735 10.313 1.00 42.04 H new ATOM 0 HG22 VAL A 22 11.303 4.408 8.681 1.00 42.04 H new ATOM 0 HG23 VAL A 22 9.924 4.310 9.802 1.00 42.04 H new ATOM 320 N ILE A 23 7.316 2.280 8.706 1.00 11.14 N ATOM 321 CA ILE A 23 6.018 2.741 9.175 1.00 53.32 C ATOM 322 C ILE A 23 5.413 1.729 10.144 1.00 75.22 C ATOM 323 O ILE A 23 4.951 2.101 11.222 1.00 25.14 O ATOM 324 CB ILE A 23 5.048 3.023 7.996 1.00 71.12 C ATOM 325 CG1 ILE A 23 3.664 3.420 8.521 1.00 34.41 C ATOM 326 CG2 ILE A 23 4.947 1.823 7.060 1.00 43.43 C ATOM 327 CD1 ILE A 23 2.684 3.797 7.430 1.00 24.40 C ATOM 0 H ILE A 23 7.465 1.275 8.798 1.00 11.14 H new ATOM 0 HA ILE A 23 6.170 3.683 9.702 1.00 53.32 H new ATOM 0 HB ILE A 23 5.453 3.857 7.422 1.00 71.12 H new ATOM 0 HG12 ILE A 23 3.252 2.591 9.097 1.00 34.41 H new ATOM 0 HG13 ILE A 23 3.773 4.261 9.206 1.00 34.41 H new ATOM 0 HG21 ILE A 23 4.260 2.054 6.246 1.00 43.43 H new ATOM 0 HG22 ILE A 23 5.932 1.597 6.651 1.00 43.43 H new ATOM 0 HG23 ILE A 23 4.577 0.960 7.613 1.00 43.43 H new ATOM 0 HD11 ILE A 23 1.727 4.066 7.877 1.00 24.40 H new ATOM 0 HD12 ILE A 23 3.074 4.646 6.869 1.00 24.40 H new ATOM 0 HD13 ILE A 23 2.545 2.951 6.757 1.00 24.40 H new ATOM 339 N ASP A 24 5.452 0.453 9.752 1.00 4.10 N ATOM 340 CA ASP A 24 4.996 -0.658 10.592 1.00 25.23 C ATOM 341 C ASP A 24 3.486 -0.621 10.806 1.00 55.34 C ATOM 342 O ASP A 24 2.963 0.211 11.547 1.00 40.12 O ATOM 343 CB ASP A 24 5.732 -0.678 11.939 1.00 60.14 C ATOM 344 CG ASP A 24 7.200 -1.031 11.796 1.00 21.31 C ATOM 345 OD1 ASP A 24 7.994 -0.153 11.394 1.00 4.54 O ATOM 346 OD2 ASP A 24 7.570 -2.188 12.089 1.00 71.32 O ATOM 0 H ASP A 24 5.802 0.160 8.840 1.00 4.10 H new ATOM 0 HA ASP A 24 5.234 -1.579 10.060 1.00 25.23 H new ATOM 0 HB2 ASP A 24 5.642 0.299 12.413 1.00 60.14 H new ATOM 0 HB3 ASP A 24 5.252 -1.399 12.601 1.00 60.14 H new ATOM 351 N ASN A 25 2.792 -1.541 10.153 1.00 52.10 N ATOM 352 CA ASN A 25 1.337 -1.604 10.223 1.00 14.44 C ATOM 353 C ASN A 25 0.877 -2.270 11.509 1.00 13.14 C ATOM 354 O ASN A 25 1.633 -2.989 12.161 1.00 31.33 O ATOM 355 CB ASN A 25 0.769 -2.376 9.030 1.00 15.25 C ATOM 356 CG ASN A 25 0.799 -1.580 7.744 1.00 22.43 C ATOM 357 OD1 ASN A 25 1.791 -1.585 7.025 1.00 42.24 O ATOM 358 ND2 ASN A 25 -0.296 -0.907 7.435 1.00 52.20 N ATOM 0 H ASN A 25 3.215 -2.259 9.565 1.00 52.10 H new ATOM 0 HA ASN A 25 0.968 -0.579 10.202 1.00 14.44 H new ATOM 0 HB2 ASN A 25 1.338 -3.296 8.895 1.00 15.25 H new ATOM 0 HB3 ASN A 25 -0.259 -2.666 9.248 1.00 15.25 H new ATOM 0 HD21 ASN A 25 -0.336 -0.366 6.571 1.00 52.20 H new ATOM 0 HD22 ASN A 25 -1.101 -0.928 8.061 1.00 52.20 H new ATOM 365 N ASP A 26 -0.376 -2.023 11.861 1.00 65.33 N ATOM 366 CA ASP A 26 -0.988 -2.635 13.033 1.00 11.13 C ATOM 367 C ASP A 26 -1.592 -3.987 12.670 1.00 32.34 C ATOM 368 O ASP A 26 -1.866 -4.815 13.540 1.00 40.34 O ATOM 369 CB ASP A 26 -2.072 -1.712 13.599 1.00 12.01 C ATOM 370 CG ASP A 26 -3.160 -1.418 12.588 1.00 42.14 C ATOM 371 OD1 ASP A 26 -2.928 -0.587 11.681 1.00 31.53 O ATOM 372 OD2 ASP A 26 -4.241 -2.029 12.679 1.00 14.53 O ATOM 0 H ASP A 26 -0.995 -1.397 11.346 1.00 65.33 H new ATOM 0 HA ASP A 26 -0.219 -2.788 13.790 1.00 11.13 H new ATOM 0 HB2 ASP A 26 -2.514 -2.173 14.482 1.00 12.01 H new ATOM 0 HB3 ASP A 26 -1.617 -0.776 13.922 1.00 12.01 H new ATOM 377 N ASN A 27 -1.789 -4.208 11.377 1.00 1.44 N ATOM 378 CA ASN A 27 -2.357 -5.456 10.889 1.00 50.23 C ATOM 379 C ASN A 27 -1.938 -5.680 9.436 1.00 1.01 C ATOM 380 O ASN A 27 -1.413 -4.769 8.797 1.00 54.30 O ATOM 381 CB ASN A 27 -3.887 -5.440 11.019 1.00 42.03 C ATOM 382 CG ASN A 27 -4.566 -4.527 10.018 1.00 52.14 C ATOM 383 OD1 ASN A 27 -4.933 -4.958 8.935 1.00 1.34 O ATOM 384 ND2 ASN A 27 -4.753 -3.267 10.370 1.00 70.21 N ATOM 0 H ASN A 27 -1.562 -3.535 10.645 1.00 1.44 H new ATOM 0 HA ASN A 27 -1.978 -6.279 11.495 1.00 50.23 H new ATOM 0 HB2 ASN A 27 -4.266 -6.454 10.890 1.00 42.03 H new ATOM 0 HB3 ASN A 27 -4.155 -5.125 12.027 1.00 42.03 H new ATOM 0 HD21 ASN A 27 -5.216 -2.622 9.730 1.00 70.21 H new ATOM 0 HD22 ASN A 27 -4.434 -2.940 11.282 1.00 70.21 H new ATOM 391 N CYS A 28 -2.166 -6.883 8.919 1.00 44.31 N ATOM 392 CA CYS A 28 -1.724 -7.237 7.570 1.00 45.54 C ATOM 393 C CYS A 28 -2.858 -7.113 6.548 1.00 52.21 C ATOM 394 O CYS A 28 -2.748 -7.591 5.415 1.00 14.43 O ATOM 395 CB CYS A 28 -1.170 -8.663 7.562 1.00 12.10 C ATOM 396 SG CYS A 28 0.216 -8.928 8.690 1.00 51.10 S ATOM 0 H CYS A 28 -2.654 -7.631 9.412 1.00 44.31 H new ATOM 0 HA CYS A 28 -0.941 -6.536 7.283 1.00 45.54 H new ATOM 0 HB2 CYS A 28 -1.972 -9.353 7.822 1.00 12.10 H new ATOM 0 HB3 CYS A 28 -0.852 -8.911 6.549 1.00 12.10 H new ATOM 0 HG CYS A 28 0.610 -10.164 8.610 1.00 51.10 H new ATOM 402 N THR A 29 -3.940 -6.466 6.947 1.00 52.24 N ATOM 403 CA THR A 29 -5.071 -6.238 6.060 1.00 41.44 C ATOM 404 C THR A 29 -5.023 -4.815 5.510 1.00 13.44 C ATOM 405 O THR A 29 -4.990 -3.843 6.267 1.00 14.34 O ATOM 406 CB THR A 29 -6.412 -6.474 6.790 1.00 22.32 C ATOM 407 OG1 THR A 29 -6.425 -7.788 7.365 1.00 12.12 O ATOM 408 CG2 THR A 29 -7.593 -6.322 5.839 1.00 22.04 C ATOM 0 H THR A 29 -4.060 -6.086 7.886 1.00 52.24 H new ATOM 0 HA THR A 29 -5.003 -6.949 5.236 1.00 41.44 H new ATOM 0 HB THR A 29 -6.507 -5.725 7.576 1.00 22.32 H new ATOM 0 HG1 THR A 29 -7.276 -7.934 7.829 1.00 12.12 H new ATOM 0 HG21 THR A 29 -8.522 -6.494 6.382 1.00 22.04 H new ATOM 0 HG22 THR A 29 -7.597 -5.315 5.422 1.00 22.04 H new ATOM 0 HG23 THR A 29 -7.505 -7.048 5.031 1.00 22.04 H new ATOM 416 N SER A 30 -5.007 -4.691 4.195 1.00 13.44 N ATOM 417 CA SER A 30 -4.897 -3.395 3.561 1.00 23.55 C ATOM 418 C SER A 30 -6.270 -2.898 3.131 1.00 72.53 C ATOM 419 O SER A 30 -6.849 -3.401 2.169 1.00 4.25 O ATOM 420 CB SER A 30 -3.955 -3.472 2.356 1.00 4.50 C ATOM 421 OG SER A 30 -3.644 -2.181 1.861 1.00 32.43 O ATOM 0 H SER A 30 -5.069 -5.476 3.546 1.00 13.44 H new ATOM 0 HA SER A 30 -4.483 -2.689 4.281 1.00 23.55 H new ATOM 0 HB2 SER A 30 -3.037 -3.985 2.642 1.00 4.50 H new ATOM 0 HB3 SER A 30 -4.418 -4.064 1.567 1.00 4.50 H new ATOM 0 HG SER A 30 -3.040 -2.262 1.094 1.00 32.43 H new ATOM 427 N LYS A 31 -6.798 -1.940 3.874 1.00 34.23 N ATOM 428 CA LYS A 31 -8.043 -1.286 3.505 1.00 31.32 C ATOM 429 C LYS A 31 -7.760 0.065 2.877 1.00 54.44 C ATOM 430 O LYS A 31 -7.126 0.925 3.488 1.00 54.54 O ATOM 431 CB LYS A 31 -8.950 -1.080 4.722 1.00 51.22 C ATOM 432 CG LYS A 31 -9.799 -2.285 5.096 1.00 12.05 C ATOM 433 CD LYS A 31 -10.672 -2.746 3.935 1.00 13.40 C ATOM 434 CE LYS A 31 -11.438 -1.597 3.286 1.00 21.53 C ATOM 435 NZ LYS A 31 -12.413 -0.955 4.204 1.00 51.04 N ATOM 0 H LYS A 31 -6.382 -1.597 4.740 1.00 34.23 H new ATOM 0 HA LYS A 31 -8.551 -1.934 2.791 1.00 31.32 H new ATOM 0 HB2 LYS A 31 -8.331 -0.810 5.577 1.00 51.22 H new ATOM 0 HB3 LYS A 31 -9.610 -0.235 4.527 1.00 51.22 H new ATOM 0 HG2 LYS A 31 -9.150 -3.103 5.410 1.00 12.05 H new ATOM 0 HG3 LYS A 31 -10.431 -2.034 5.948 1.00 12.05 H new ATOM 0 HD2 LYS A 31 -10.047 -3.231 3.185 1.00 13.40 H new ATOM 0 HD3 LYS A 31 -11.380 -3.494 4.292 1.00 13.40 H new ATOM 0 HE2 LYS A 31 -10.729 -0.847 2.937 1.00 21.53 H new ATOM 0 HE3 LYS A 31 -11.966 -1.970 2.408 1.00 21.53 H new ATOM 0 HZ1 LYS A 31 -13.072 -0.367 3.655 1.00 51.04 H new ATOM 0 HZ2 LYS A 31 -12.946 -1.689 4.713 1.00 51.04 H new ATOM 0 HZ3 LYS A 31 -11.905 -0.359 4.888 1.00 51.04 H new ATOM 449 N PHE A 32 -8.221 0.245 1.659 1.00 32.43 N ATOM 450 CA PHE A 32 -8.121 1.529 0.998 1.00 61.40 C ATOM 451 C PHE A 32 -9.506 1.977 0.562 1.00 30.22 C ATOM 452 O PHE A 32 -10.154 1.315 -0.247 1.00 70.42 O ATOM 453 CB PHE A 32 -7.177 1.446 -0.204 1.00 44.11 C ATOM 454 CG PHE A 32 -6.886 2.781 -0.830 1.00 24.23 C ATOM 455 CD1 PHE A 32 -5.996 3.659 -0.233 1.00 54.43 C ATOM 456 CD2 PHE A 32 -7.508 3.161 -2.007 1.00 71.14 C ATOM 457 CE1 PHE A 32 -5.728 4.888 -0.801 1.00 62.35 C ATOM 458 CE2 PHE A 32 -7.244 4.390 -2.579 1.00 54.12 C ATOM 459 CZ PHE A 32 -6.354 5.256 -1.975 1.00 2.24 C ATOM 0 H PHE A 32 -8.670 -0.483 1.104 1.00 32.43 H new ATOM 0 HA PHE A 32 -7.710 2.260 1.694 1.00 61.40 H new ATOM 0 HB2 PHE A 32 -6.239 0.989 0.111 1.00 44.11 H new ATOM 0 HB3 PHE A 32 -7.615 0.789 -0.955 1.00 44.11 H new ATOM 0 HD1 PHE A 32 -5.506 3.378 0.688 1.00 54.43 H new ATOM 0 HD2 PHE A 32 -8.207 2.489 -2.483 1.00 71.14 H new ATOM 0 HE1 PHE A 32 -5.029 5.561 -0.327 1.00 62.35 H new ATOM 0 HE2 PHE A 32 -7.734 4.674 -3.499 1.00 54.12 H new ATOM 0 HZ PHE A 32 -6.148 6.218 -2.420 1.00 2.24 H new ATOM 469 N SER A 33 -9.957 3.092 1.106 1.00 24.44 N ATOM 470 CA SER A 33 -11.282 3.606 0.809 1.00 63.43 C ATOM 471 C SER A 33 -11.179 5.046 0.325 1.00 73.22 C ATOM 472 O SER A 33 -10.901 5.957 1.107 1.00 41.01 O ATOM 473 CB SER A 33 -12.167 3.508 2.054 1.00 70.21 C ATOM 474 OG SER A 33 -12.122 2.200 2.607 1.00 52.54 O ATOM 0 H SER A 33 -9.421 3.663 1.760 1.00 24.44 H new ATOM 0 HA SER A 33 -11.736 3.010 0.018 1.00 63.43 H new ATOM 0 HB2 SER A 33 -11.837 4.233 2.798 1.00 70.21 H new ATOM 0 HB3 SER A 33 -13.195 3.763 1.795 1.00 70.21 H new ATOM 0 HG SER A 33 -12.921 1.702 2.335 1.00 52.54 H new ATOM 480 N ARG A 34 -11.381 5.244 -0.966 1.00 73.54 N ATOM 481 CA ARG A 34 -11.199 6.554 -1.577 1.00 62.32 C ATOM 482 C ARG A 34 -12.393 6.880 -2.458 1.00 24.10 C ATOM 483 O ARG A 34 -12.973 5.993 -3.085 1.00 64.22 O ATOM 484 CB ARG A 34 -9.909 6.555 -2.403 1.00 23.43 C ATOM 485 CG ARG A 34 -9.112 7.852 -2.368 1.00 1.04 C ATOM 486 CD ARG A 34 -9.670 8.910 -3.308 1.00 21.12 C ATOM 487 NE ARG A 34 -8.728 10.017 -3.484 1.00 61.14 N ATOM 488 CZ ARG A 34 -8.989 11.127 -4.171 1.00 25.15 C ATOM 489 NH1 ARG A 34 -10.181 11.316 -4.715 1.00 23.35 N ATOM 490 NH2 ARG A 34 -8.051 12.058 -4.303 1.00 14.11 N ATOM 0 H ARG A 34 -11.672 4.513 -1.615 1.00 73.54 H new ATOM 0 HA ARG A 34 -11.123 7.314 -0.799 1.00 62.32 H new ATOM 0 HB2 ARG A 34 -9.270 5.746 -2.049 1.00 23.43 H new ATOM 0 HB3 ARG A 34 -10.161 6.331 -3.440 1.00 23.43 H new ATOM 0 HG2 ARG A 34 -9.106 8.243 -1.350 1.00 1.04 H new ATOM 0 HG3 ARG A 34 -8.076 7.644 -2.636 1.00 1.04 H new ATOM 0 HD2 ARG A 34 -9.890 8.460 -4.276 1.00 21.12 H new ATOM 0 HD3 ARG A 34 -10.612 9.291 -2.912 1.00 21.12 H new ATOM 0 HE ARG A 34 -7.809 9.932 -3.050 1.00 61.14 H new ATOM 0 HH11 ARG A 34 -10.908 10.608 -4.609 1.00 23.35 H new ATOM 0 HH12 ARG A 34 -10.373 12.169 -5.240 1.00 23.35 H new ATOM 0 HH21 ARG A 34 -7.134 11.921 -3.879 1.00 14.11 H new ATOM 0 HH22 ARG A 34 -8.248 12.910 -4.829 1.00 14.11 H new ATOM 504 N PHE A 35 -12.765 8.143 -2.492 1.00 43.45 N ATOM 505 CA PHE A 35 -13.870 8.587 -3.324 1.00 42.33 C ATOM 506 C PHE A 35 -13.345 9.096 -4.655 1.00 22.51 C ATOM 507 O PHE A 35 -12.413 9.899 -4.695 1.00 13.01 O ATOM 508 CB PHE A 35 -14.679 9.681 -2.624 1.00 65.21 C ATOM 509 CG PHE A 35 -15.244 9.258 -1.295 1.00 21.42 C ATOM 510 CD1 PHE A 35 -16.321 8.389 -1.232 1.00 14.13 C ATOM 511 CD2 PHE A 35 -14.698 9.731 -0.112 1.00 64.21 C ATOM 512 CE1 PHE A 35 -16.841 7.998 -0.014 1.00 74.34 C ATOM 513 CE2 PHE A 35 -15.215 9.343 1.109 1.00 20.14 C ATOM 514 CZ PHE A 35 -16.288 8.475 1.158 1.00 42.43 C ATOM 0 H PHE A 35 -12.318 8.884 -1.952 1.00 43.45 H new ATOM 0 HA PHE A 35 -14.529 7.737 -3.500 1.00 42.33 H new ATOM 0 HB2 PHE A 35 -14.043 10.554 -2.477 1.00 65.21 H new ATOM 0 HB3 PHE A 35 -15.497 9.989 -3.275 1.00 65.21 H new ATOM 0 HD1 PHE A 35 -16.759 8.013 -2.145 1.00 14.13 H new ATOM 0 HD2 PHE A 35 -13.859 10.410 -0.145 1.00 64.21 H new ATOM 0 HE1 PHE A 35 -17.680 7.319 0.022 1.00 74.34 H new ATOM 0 HE2 PHE A 35 -14.781 9.718 2.024 1.00 20.14 H new ATOM 0 HZ PHE A 35 -16.694 8.170 2.111 1.00 42.43 H new ATOM 524 N PHE A 36 -13.929 8.625 -5.741 1.00 25.20 N ATOM 525 CA PHE A 36 -13.481 9.010 -7.074 1.00 33.23 C ATOM 526 C PHE A 36 -14.608 9.667 -7.853 1.00 54.04 C ATOM 527 O PHE A 36 -15.777 9.445 -7.549 1.00 72.44 O ATOM 528 CB PHE A 36 -12.945 7.795 -7.834 1.00 5.34 C ATOM 529 CG PHE A 36 -11.647 7.274 -7.285 1.00 14.41 C ATOM 530 CD1 PHE A 36 -10.455 7.915 -7.574 1.00 42.01 C ATOM 531 CD2 PHE A 36 -11.623 6.148 -6.483 1.00 24.03 C ATOM 532 CE1 PHE A 36 -9.260 7.443 -7.070 1.00 1.02 C ATOM 533 CE2 PHE A 36 -10.430 5.670 -5.976 1.00 31.33 C ATOM 534 CZ PHE A 36 -9.247 6.318 -6.271 1.00 51.22 C ATOM 0 H PHE A 36 -14.715 7.975 -5.730 1.00 25.20 H new ATOM 0 HA PHE A 36 -12.673 9.733 -6.964 1.00 33.23 H new ATOM 0 HB2 PHE A 36 -13.689 6.999 -7.804 1.00 5.34 H new ATOM 0 HB3 PHE A 36 -12.807 8.063 -8.882 1.00 5.34 H new ATOM 0 HD1 PHE A 36 -10.460 8.794 -8.201 1.00 42.01 H new ATOM 0 HD2 PHE A 36 -12.546 5.637 -6.251 1.00 24.03 H new ATOM 0 HE1 PHE A 36 -8.337 7.953 -7.301 1.00 1.02 H new ATOM 0 HE2 PHE A 36 -10.423 4.790 -5.350 1.00 31.33 H new ATOM 0 HZ PHE A 36 -8.313 5.945 -5.877 1.00 51.22 H new ATOM 544 N ALA A 37 -14.240 10.473 -8.849 1.00 43.42 N ATOM 545 CA ALA A 37 -15.201 11.233 -9.651 1.00 50.14 C ATOM 546 C ALA A 37 -16.324 10.352 -10.190 1.00 55.22 C ATOM 547 O ALA A 37 -17.501 10.687 -10.063 1.00 24.51 O ATOM 548 CB ALA A 37 -14.486 11.936 -10.797 1.00 61.41 C ATOM 0 H ALA A 37 -13.268 10.618 -9.123 1.00 43.42 H new ATOM 0 HA ALA A 37 -15.657 11.976 -8.997 1.00 50.14 H new ATOM 0 HB1 ALA A 37 -15.210 12.498 -11.387 1.00 61.41 H new ATOM 0 HB2 ALA A 37 -13.737 12.618 -10.395 1.00 61.41 H new ATOM 0 HB3 ALA A 37 -13.998 11.195 -11.431 1.00 61.41 H new ATOM 554 N THR A 38 -15.961 9.231 -10.790 1.00 31.23 N ATOM 555 CA THR A 38 -16.943 8.303 -11.326 1.00 70.43 C ATOM 556 C THR A 38 -16.582 6.877 -10.951 1.00 21.43 C ATOM 557 O THR A 38 -15.472 6.616 -10.481 1.00 24.34 O ATOM 558 CB THR A 38 -17.038 8.403 -12.861 1.00 72.11 C ATOM 559 OG1 THR A 38 -15.725 8.347 -13.434 1.00 32.02 O ATOM 560 CG2 THR A 38 -17.735 9.686 -13.292 1.00 64.31 C ATOM 0 H THR A 38 -14.992 8.941 -10.918 1.00 31.23 H new ATOM 0 HA THR A 38 -17.908 8.570 -10.895 1.00 70.43 H new ATOM 0 HB THR A 38 -17.630 7.561 -13.218 1.00 72.11 H new ATOM 0 HG1 THR A 38 -15.791 8.409 -14.410 1.00 32.02 H new ATOM 0 HG21 THR A 38 -17.785 9.725 -14.380 1.00 64.31 H new ATOM 0 HG22 THR A 38 -18.744 9.707 -12.881 1.00 64.31 H new ATOM 0 HG23 THR A 38 -17.175 10.546 -12.924 1.00 64.31 H new ATOM 568 N ARG A 39 -17.509 5.947 -11.169 1.00 10.44 N ATOM 569 CA ARG A 39 -17.248 4.540 -10.899 1.00 72.35 C ATOM 570 C ARG A 39 -16.176 4.026 -11.860 1.00 50.12 C ATOM 571 O ARG A 39 -15.523 3.013 -11.608 1.00 42.12 O ATOM 572 CB ARG A 39 -18.537 3.720 -11.021 1.00 54.12 C ATOM 573 CG ARG A 39 -19.000 3.489 -12.448 1.00 74.11 C ATOM 574 CD ARG A 39 -20.411 2.932 -12.477 1.00 25.11 C ATOM 575 NE ARG A 39 -21.387 3.914 -12.006 1.00 75.41 N ATOM 576 CZ ARG A 39 -22.652 3.628 -11.702 1.00 52.34 C ATOM 577 NH1 ARG A 39 -23.080 2.369 -11.702 1.00 33.00 N ATOM 578 NH2 ARG A 39 -23.478 4.607 -11.360 1.00 20.35 N ATOM 0 H ARG A 39 -18.442 6.143 -11.530 1.00 10.44 H new ATOM 0 HA ARG A 39 -16.883 4.432 -9.878 1.00 72.35 H new ATOM 0 HB2 ARG A 39 -18.385 2.754 -10.540 1.00 54.12 H new ATOM 0 HB3 ARG A 39 -19.330 4.228 -10.472 1.00 54.12 H new ATOM 0 HG2 ARG A 39 -18.964 4.427 -13.002 1.00 74.11 H new ATOM 0 HG3 ARG A 39 -18.321 2.797 -12.947 1.00 74.11 H new ATOM 0 HD2 ARG A 39 -20.662 2.627 -13.493 1.00 25.11 H new ATOM 0 HD3 ARG A 39 -20.463 2.039 -11.854 1.00 25.11 H new ATOM 0 HE ARG A 39 -21.079 4.881 -11.904 1.00 75.41 H new ATOM 0 HH11 ARG A 39 -22.438 1.612 -11.936 1.00 33.00 H new ATOM 0 HH12 ARG A 39 -24.051 2.160 -11.468 1.00 33.00 H new ATOM 0 HH21 ARG A 39 -23.143 5.570 -11.331 1.00 20.35 H new ATOM 0 HH22 ARG A 39 -24.448 4.397 -11.126 1.00 20.35 H new ATOM 592 N GLU A 40 -15.999 4.759 -12.957 1.00 2.32 N ATOM 593 CA GLU A 40 -14.941 4.493 -13.914 1.00 63.22 C ATOM 594 C GLU A 40 -13.580 4.663 -13.252 1.00 23.42 C ATOM 595 O GLU A 40 -12.713 3.794 -13.341 1.00 72.34 O ATOM 596 CB GLU A 40 -15.045 5.458 -15.078 1.00 13.01 C ATOM 597 CG GLU A 40 -16.376 5.399 -15.799 1.00 73.04 C ATOM 598 CD GLU A 40 -16.539 4.157 -16.646 1.00 24.40 C ATOM 599 OE1 GLU A 40 -15.659 3.892 -17.490 1.00 42.20 O ATOM 600 OE2 GLU A 40 -17.559 3.457 -16.486 1.00 32.14 O ATOM 0 H GLU A 40 -16.589 5.554 -13.203 1.00 2.32 H new ATOM 0 HA GLU A 40 -15.046 3.469 -14.272 1.00 63.22 H new ATOM 0 HB2 GLU A 40 -14.884 6.472 -14.713 1.00 13.01 H new ATOM 0 HB3 GLU A 40 -14.247 5.244 -15.789 1.00 13.01 H new ATOM 0 HG2 GLU A 40 -17.181 5.439 -15.066 1.00 73.04 H new ATOM 0 HG3 GLU A 40 -16.478 6.280 -16.433 1.00 73.04 H new ATOM 607 N GLU A 41 -13.426 5.797 -12.573 1.00 53.43 N ATOM 608 CA GLU A 41 -12.195 6.141 -11.871 1.00 35.10 C ATOM 609 C GLU A 41 -11.844 5.079 -10.833 1.00 42.22 C ATOM 610 O GLU A 41 -10.672 4.838 -10.544 1.00 12.22 O ATOM 611 CB GLU A 41 -12.359 7.501 -11.192 1.00 41.24 C ATOM 612 CG GLU A 41 -12.467 8.658 -12.168 1.00 33.13 C ATOM 613 CD GLU A 41 -11.182 8.876 -12.938 1.00 13.31 C ATOM 614 OE1 GLU A 41 -10.286 9.581 -12.428 1.00 62.33 O ATOM 615 OE2 GLU A 41 -11.055 8.339 -14.055 1.00 71.24 O ATOM 0 H GLU A 41 -14.156 6.505 -12.495 1.00 53.43 H new ATOM 0 HA GLU A 41 -11.382 6.189 -12.596 1.00 35.10 H new ATOM 0 HB2 GLU A 41 -13.251 7.480 -10.566 1.00 41.24 H new ATOM 0 HB3 GLU A 41 -11.510 7.672 -10.531 1.00 41.24 H new ATOM 0 HG2 GLU A 41 -13.280 8.466 -12.868 1.00 33.13 H new ATOM 0 HG3 GLU A 41 -12.722 9.568 -11.624 1.00 33.13 H new ATOM 622 N ALA A 42 -12.870 4.432 -10.299 1.00 14.02 N ATOM 623 CA ALA A 42 -12.677 3.391 -9.298 1.00 52.23 C ATOM 624 C ALA A 42 -12.021 2.171 -9.931 1.00 72.34 C ATOM 625 O ALA A 42 -11.029 1.645 -9.421 1.00 50.43 O ATOM 626 CB ALA A 42 -14.005 3.021 -8.653 1.00 13.11 C ATOM 0 H ALA A 42 -13.845 4.609 -10.542 1.00 14.02 H new ATOM 0 HA ALA A 42 -12.017 3.770 -8.518 1.00 52.23 H new ATOM 0 HB1 ALA A 42 -13.843 2.242 -7.908 1.00 13.11 H new ATOM 0 HB2 ALA A 42 -14.433 3.900 -8.172 1.00 13.11 H new ATOM 0 HB3 ALA A 42 -14.691 2.655 -9.417 1.00 13.11 H new ATOM 632 N GLU A 43 -12.570 1.742 -11.063 1.00 24.15 N ATOM 633 CA GLU A 43 -11.997 0.647 -11.832 1.00 11.11 C ATOM 634 C GLU A 43 -10.607 1.010 -12.338 1.00 12.42 C ATOM 635 O GLU A 43 -9.706 0.173 -12.353 1.00 41.10 O ATOM 636 CB GLU A 43 -12.902 0.290 -13.009 1.00 61.21 C ATOM 637 CG GLU A 43 -14.015 -0.676 -12.650 1.00 54.41 C ATOM 638 CD GLU A 43 -13.480 -2.040 -12.261 1.00 10.54 C ATOM 639 OE1 GLU A 43 -12.580 -2.553 -12.965 1.00 0.34 O ATOM 640 OE2 GLU A 43 -13.953 -2.611 -11.256 1.00 51.22 O ATOM 0 H GLU A 43 -13.417 2.140 -11.469 1.00 24.15 H new ATOM 0 HA GLU A 43 -11.913 -0.218 -11.175 1.00 11.11 H new ATOM 0 HB2 GLU A 43 -13.341 1.204 -13.409 1.00 61.21 H new ATOM 0 HB3 GLU A 43 -12.296 -0.146 -13.803 1.00 61.21 H new ATOM 0 HG2 GLU A 43 -14.598 -0.267 -11.825 1.00 54.41 H new ATOM 0 HG3 GLU A 43 -14.692 -0.780 -13.498 1.00 54.41 H new ATOM 647 N SER A 44 -10.434 2.263 -12.742 1.00 24.34 N ATOM 648 CA SER A 44 -9.150 2.734 -13.235 1.00 63.02 C ATOM 649 C SER A 44 -8.070 2.611 -12.168 1.00 65.42 C ATOM 650 O SER A 44 -6.932 2.234 -12.467 1.00 54.21 O ATOM 651 CB SER A 44 -9.265 4.180 -13.713 1.00 35.11 C ATOM 652 OG SER A 44 -10.170 4.280 -14.802 1.00 51.52 O ATOM 0 H SER A 44 -11.169 2.970 -12.737 1.00 24.34 H new ATOM 0 HA SER A 44 -8.861 2.106 -14.077 1.00 63.02 H new ATOM 0 HB2 SER A 44 -9.604 4.813 -12.893 1.00 35.11 H new ATOM 0 HB3 SER A 44 -8.284 4.547 -14.014 1.00 35.11 H new ATOM 0 HG SER A 44 -11.085 4.138 -14.481 1.00 51.52 H new ATOM 658 N PHE A 45 -8.430 2.894 -10.919 1.00 31.15 N ATOM 659 CA PHE A 45 -7.483 2.800 -9.827 1.00 52.00 C ATOM 660 C PHE A 45 -7.186 1.335 -9.536 1.00 2.43 C ATOM 661 O PHE A 45 -6.044 0.958 -9.294 1.00 15.31 O ATOM 662 CB PHE A 45 -8.029 3.502 -8.580 1.00 65.35 C ATOM 663 CG PHE A 45 -7.004 3.686 -7.496 1.00 73.31 C ATOM 664 CD1 PHE A 45 -6.065 4.704 -7.581 1.00 61.13 C ATOM 665 CD2 PHE A 45 -6.973 2.844 -6.396 1.00 34.22 C ATOM 666 CE1 PHE A 45 -5.120 4.880 -6.589 1.00 42.11 C ATOM 667 CE2 PHE A 45 -6.029 3.014 -5.401 1.00 51.30 C ATOM 668 CZ PHE A 45 -5.101 4.033 -5.499 1.00 44.21 C ATOM 0 H PHE A 45 -9.367 3.188 -10.645 1.00 31.15 H new ATOM 0 HA PHE A 45 -6.557 3.299 -10.113 1.00 52.00 H new ATOM 0 HB2 PHE A 45 -8.423 4.477 -8.865 1.00 65.35 H new ATOM 0 HB3 PHE A 45 -8.864 2.924 -8.184 1.00 65.35 H new ATOM 0 HD1 PHE A 45 -6.073 5.367 -8.433 1.00 61.13 H new ATOM 0 HD2 PHE A 45 -7.695 2.045 -6.315 1.00 34.22 H new ATOM 0 HE1 PHE A 45 -4.397 5.679 -6.666 1.00 42.11 H new ATOM 0 HE2 PHE A 45 -6.017 2.351 -4.548 1.00 51.30 H new ATOM 0 HZ PHE A 45 -4.361 4.167 -4.723 1.00 44.21 H new ATOM 678 N MET A 46 -8.221 0.510 -9.605 1.00 75.35 N ATOM 679 CA MET A 46 -8.082 -0.917 -9.349 1.00 2.51 C ATOM 680 C MET A 46 -7.250 -1.594 -10.442 1.00 52.24 C ATOM 681 O MET A 46 -6.552 -2.570 -10.183 1.00 71.40 O ATOM 682 CB MET A 46 -9.466 -1.567 -9.248 1.00 45.32 C ATOM 683 CG MET A 46 -9.434 -3.048 -8.899 1.00 54.12 C ATOM 684 SD MET A 46 -8.531 -3.388 -7.374 1.00 50.25 S ATOM 685 CE MET A 46 -9.439 -2.384 -6.201 1.00 71.13 C ATOM 0 H MET A 46 -9.169 0.805 -9.837 1.00 75.35 H new ATOM 0 HA MET A 46 -7.558 -1.048 -8.402 1.00 2.51 H new ATOM 0 HB2 MET A 46 -10.049 -1.039 -8.493 1.00 45.32 H new ATOM 0 HB3 MET A 46 -9.985 -1.440 -10.198 1.00 45.32 H new ATOM 0 HG2 MET A 46 -10.455 -3.416 -8.801 1.00 54.12 H new ATOM 0 HG3 MET A 46 -8.974 -3.600 -9.719 1.00 54.12 H new ATOM 0 HE1 MET A 46 -9.290 -2.776 -5.195 1.00 71.13 H new ATOM 0 HE2 MET A 46 -9.079 -1.356 -6.247 1.00 71.13 H new ATOM 0 HE3 MET A 46 -10.501 -2.408 -6.447 1.00 71.13 H new ATOM 695 N THR A 47 -7.309 -1.056 -11.656 1.00 75.35 N ATOM 696 CA THR A 47 -6.566 -1.616 -12.782 1.00 73.44 C ATOM 697 C THR A 47 -5.057 -1.618 -12.509 1.00 52.41 C ATOM 698 O THR A 47 -4.388 -2.633 -12.690 1.00 53.21 O ATOM 699 CB THR A 47 -6.852 -0.836 -14.082 1.00 14.43 C ATOM 700 OG1 THR A 47 -8.264 -0.819 -14.342 1.00 40.20 O ATOM 701 CG2 THR A 47 -6.124 -1.459 -15.266 1.00 45.21 C ATOM 0 H THR A 47 -7.864 -0.232 -11.886 1.00 75.35 H new ATOM 0 HA THR A 47 -6.902 -2.645 -12.905 1.00 73.44 H new ATOM 0 HB THR A 47 -6.490 0.184 -13.951 1.00 14.43 H new ATOM 0 HG1 THR A 47 -8.717 -0.289 -13.653 1.00 40.20 H new ATOM 0 HG21 THR A 47 -6.344 -0.889 -16.169 1.00 45.21 H new ATOM 0 HG22 THR A 47 -5.050 -1.446 -15.081 1.00 45.21 H new ATOM 0 HG23 THR A 47 -6.457 -2.489 -15.397 1.00 45.21 H new ATOM 709 N LYS A 48 -4.530 -0.488 -12.057 1.00 64.43 N ATOM 710 CA LYS A 48 -3.108 -0.386 -11.753 1.00 54.02 C ATOM 711 C LYS A 48 -2.774 -1.143 -10.468 1.00 23.31 C ATOM 712 O LYS A 48 -1.649 -1.614 -10.279 1.00 0.14 O ATOM 713 CB LYS A 48 -2.676 1.077 -11.674 1.00 13.40 C ATOM 714 CG LYS A 48 -3.507 1.924 -10.735 1.00 32.11 C ATOM 715 CD LYS A 48 -3.208 3.399 -10.923 1.00 10.04 C ATOM 716 CE LYS A 48 -1.757 3.731 -10.613 1.00 40.10 C ATOM 717 NZ LYS A 48 -1.434 5.149 -10.921 1.00 13.02 N ATOM 0 H LYS A 48 -5.062 0.367 -11.893 1.00 64.43 H new ATOM 0 HA LYS A 48 -2.546 -0.851 -12.563 1.00 54.02 H new ATOM 0 HB2 LYS A 48 -1.634 1.119 -11.356 1.00 13.40 H new ATOM 0 HB3 LYS A 48 -2.722 1.511 -12.673 1.00 13.40 H new ATOM 0 HG2 LYS A 48 -4.566 1.739 -10.914 1.00 32.11 H new ATOM 0 HG3 LYS A 48 -3.303 1.637 -9.704 1.00 32.11 H new ATOM 0 HD2 LYS A 48 -3.434 3.687 -11.950 1.00 10.04 H new ATOM 0 HD3 LYS A 48 -3.860 3.986 -10.277 1.00 10.04 H new ATOM 0 HE2 LYS A 48 -1.557 3.534 -9.560 1.00 40.10 H new ATOM 0 HE3 LYS A 48 -1.104 3.076 -11.190 1.00 40.10 H new ATOM 0 HZ1 LYS A 48 -0.436 5.335 -10.696 1.00 13.02 H new ATOM 0 HZ2 LYS A 48 -1.601 5.331 -11.931 1.00 13.02 H new ATOM 0 HZ3 LYS A 48 -2.039 5.774 -10.352 1.00 13.02 H new ATOM 731 N LEU A 49 -3.766 -1.254 -9.592 1.00 4.35 N ATOM 732 CA LEU A 49 -3.636 -2.027 -8.360 1.00 55.54 C ATOM 733 C LEU A 49 -3.404 -3.506 -8.662 1.00 41.00 C ATOM 734 O LEU A 49 -2.678 -4.184 -7.935 1.00 74.13 O ATOM 735 CB LEU A 49 -4.890 -1.852 -7.497 1.00 21.01 C ATOM 736 CG LEU A 49 -4.823 -0.752 -6.426 1.00 23.13 C ATOM 737 CD1 LEU A 49 -4.128 -1.274 -5.180 1.00 60.30 C ATOM 738 CD2 LEU A 49 -4.094 0.479 -6.948 1.00 51.34 C ATOM 0 H LEU A 49 -4.678 -0.814 -9.713 1.00 4.35 H new ATOM 0 HA LEU A 49 -2.770 -1.655 -7.812 1.00 55.54 H new ATOM 0 HB2 LEU A 49 -5.733 -1.640 -8.155 1.00 21.01 H new ATOM 0 HB3 LEU A 49 -5.102 -2.800 -7.003 1.00 21.01 H new ATOM 0 HG LEU A 49 -5.844 -0.465 -6.175 1.00 23.13 H new ATOM 0 HD11 LEU A 49 -4.087 -0.485 -4.429 1.00 60.30 H new ATOM 0 HD12 LEU A 49 -4.683 -2.124 -4.783 1.00 60.30 H new ATOM 0 HD13 LEU A 49 -3.115 -1.587 -5.433 1.00 60.30 H new ATOM 0 HD21 LEU A 49 -4.062 1.241 -6.169 1.00 51.34 H new ATOM 0 HD22 LEU A 49 -3.077 0.207 -7.231 1.00 51.34 H new ATOM 0 HD23 LEU A 49 -4.620 0.872 -7.818 1.00 51.34 H new ATOM 750 N LYS A 50 -4.020 -3.998 -9.739 1.00 23.04 N ATOM 751 CA LYS A 50 -3.827 -5.382 -10.182 1.00 31.45 C ATOM 752 C LYS A 50 -2.343 -5.692 -10.360 1.00 65.12 C ATOM 753 O LYS A 50 -1.839 -6.699 -9.849 1.00 30.51 O ATOM 754 CB LYS A 50 -4.565 -5.631 -11.505 1.00 42.15 C ATOM 755 CG LYS A 50 -5.905 -6.343 -11.367 1.00 60.01 C ATOM 756 CD LYS A 50 -6.889 -5.558 -10.516 1.00 72.54 C ATOM 757 CE LYS A 50 -8.277 -6.176 -10.552 1.00 71.20 C ATOM 758 NZ LYS A 50 -8.920 -6.043 -11.890 1.00 72.14 N ATOM 0 H LYS A 50 -4.659 -3.457 -10.322 1.00 23.04 H new ATOM 0 HA LYS A 50 -4.236 -6.039 -9.414 1.00 31.45 H new ATOM 0 HB2 LYS A 50 -4.728 -4.673 -11.999 1.00 42.15 H new ATOM 0 HB3 LYS A 50 -3.922 -6.221 -12.158 1.00 42.15 H new ATOM 0 HG2 LYS A 50 -6.332 -6.504 -12.357 1.00 60.01 H new ATOM 0 HG3 LYS A 50 -5.748 -7.326 -10.923 1.00 60.01 H new ATOM 0 HD2 LYS A 50 -6.533 -5.522 -9.487 1.00 72.54 H new ATOM 0 HD3 LYS A 50 -6.939 -4.529 -10.872 1.00 72.54 H new ATOM 0 HE2 LYS A 50 -8.210 -7.231 -10.287 1.00 71.20 H new ATOM 0 HE3 LYS A 50 -8.905 -5.698 -9.800 1.00 71.20 H new ATOM 0 HZ1 LYS A 50 -9.935 -6.257 -11.810 1.00 72.14 H new ATOM 0 HZ2 LYS A 50 -8.798 -5.071 -12.239 1.00 72.14 H new ATOM 0 HZ3 LYS A 50 -8.477 -6.708 -12.556 1.00 72.14 H new ATOM 772 N GLU A 51 -1.653 -4.809 -11.075 1.00 31.32 N ATOM 773 CA GLU A 51 -0.225 -4.962 -11.336 1.00 70.41 C ATOM 774 C GLU A 51 0.562 -4.967 -10.032 1.00 52.42 C ATOM 775 O GLU A 51 1.421 -5.825 -9.808 1.00 51.21 O ATOM 776 CB GLU A 51 0.276 -3.814 -12.213 1.00 72.33 C ATOM 777 CG GLU A 51 -0.546 -3.586 -13.468 1.00 34.21 C ATOM 778 CD GLU A 51 -0.096 -2.358 -14.230 1.00 73.43 C ATOM 779 OE1 GLU A 51 -0.461 -1.235 -13.824 1.00 44.31 O ATOM 780 OE2 GLU A 51 0.631 -2.507 -15.232 1.00 41.14 O ATOM 0 H GLU A 51 -2.064 -3.972 -11.488 1.00 31.32 H new ATOM 0 HA GLU A 51 -0.076 -5.912 -11.850 1.00 70.41 H new ATOM 0 HB2 GLU A 51 0.281 -2.897 -11.624 1.00 72.33 H new ATOM 0 HB3 GLU A 51 1.308 -4.014 -12.500 1.00 72.33 H new ATOM 0 HG2 GLU A 51 -0.470 -4.461 -14.114 1.00 34.21 H new ATOM 0 HG3 GLU A 51 -1.597 -3.479 -13.198 1.00 34.21 H new ATOM 787 N LEU A 52 0.251 -3.999 -9.177 1.00 74.24 N ATOM 788 CA LEU A 52 0.954 -3.815 -7.914 1.00 73.42 C ATOM 789 C LEU A 52 0.774 -5.016 -6.995 1.00 60.43 C ATOM 790 O LEU A 52 1.747 -5.556 -6.474 1.00 22.43 O ATOM 791 CB LEU A 52 0.455 -2.550 -7.214 1.00 11.51 C ATOM 792 CG LEU A 52 0.690 -1.244 -7.977 1.00 73.45 C ATOM 793 CD1 LEU A 52 0.069 -0.077 -7.228 1.00 75.11 C ATOM 794 CD2 LEU A 52 2.179 -1.008 -8.194 1.00 2.23 C ATOM 0 H LEU A 52 -0.494 -3.322 -9.340 1.00 74.24 H new ATOM 0 HA LEU A 52 2.016 -3.714 -8.137 1.00 73.42 H new ATOM 0 HB2 LEU A 52 -0.614 -2.655 -7.028 1.00 11.51 H new ATOM 0 HB3 LEU A 52 0.942 -2.476 -6.242 1.00 11.51 H new ATOM 0 HG LEU A 52 0.212 -1.324 -8.953 1.00 73.45 H new ATOM 0 HD11 LEU A 52 0.244 0.845 -7.782 1.00 75.11 H new ATOM 0 HD12 LEU A 52 -1.004 -0.240 -7.125 1.00 75.11 H new ATOM 0 HD13 LEU A 52 0.521 0.003 -6.239 1.00 75.11 H new ATOM 0 HD21 LEU A 52 2.324 -0.075 -8.738 1.00 2.23 H new ATOM 0 HD22 LEU A 52 2.682 -0.947 -7.229 1.00 2.23 H new ATOM 0 HD23 LEU A 52 2.598 -1.833 -8.770 1.00 2.23 H new ATOM 806 N ALA A 53 -0.473 -5.435 -6.811 1.00 30.13 N ATOM 807 CA ALA A 53 -0.789 -6.545 -5.919 1.00 64.30 C ATOM 808 C ALA A 53 -0.066 -7.818 -6.344 1.00 53.30 C ATOM 809 O ALA A 53 0.398 -8.589 -5.503 1.00 34.03 O ATOM 810 CB ALA A 53 -2.292 -6.778 -5.881 1.00 63.44 C ATOM 0 H ALA A 53 -1.285 -5.021 -7.270 1.00 30.13 H new ATOM 0 HA ALA A 53 -0.446 -6.282 -4.918 1.00 64.30 H new ATOM 0 HB1 ALA A 53 -2.515 -7.609 -5.212 1.00 63.44 H new ATOM 0 HB2 ALA A 53 -2.791 -5.878 -5.521 1.00 63.44 H new ATOM 0 HB3 ALA A 53 -2.649 -7.014 -6.883 1.00 63.44 H new ATOM 816 N ALA A 54 0.042 -8.022 -7.652 1.00 22.42 N ATOM 817 CA ALA A 54 0.684 -9.213 -8.192 1.00 33.31 C ATOM 818 C ALA A 54 2.184 -9.215 -7.916 1.00 73.33 C ATOM 819 O ALA A 54 2.780 -10.261 -7.661 1.00 44.30 O ATOM 820 CB ALA A 54 0.420 -9.324 -9.687 1.00 12.30 C ATOM 0 H ALA A 54 -0.308 -7.376 -8.359 1.00 22.42 H new ATOM 0 HA ALA A 54 0.253 -10.080 -7.690 1.00 33.31 H new ATOM 0 HB1 ALA A 54 0.906 -10.219 -10.077 1.00 12.30 H new ATOM 0 HB2 ALA A 54 -0.654 -9.388 -9.863 1.00 12.30 H new ATOM 0 HB3 ALA A 54 0.819 -8.445 -10.193 1.00 12.30 H new ATOM 826 N ALA A 55 2.790 -8.039 -7.956 1.00 52.20 N ATOM 827 CA ALA A 55 4.230 -7.919 -7.771 1.00 12.30 C ATOM 828 C ALA A 55 4.604 -7.840 -6.293 1.00 20.54 C ATOM 829 O ALA A 55 5.685 -8.273 -5.896 1.00 34.32 O ATOM 830 CB ALA A 55 4.749 -6.701 -8.516 1.00 13.20 C ATOM 0 H ALA A 55 2.309 -7.154 -8.115 1.00 52.20 H new ATOM 0 HA ALA A 55 4.697 -8.815 -8.179 1.00 12.30 H new ATOM 0 HB1 ALA A 55 5.826 -6.619 -8.373 1.00 13.20 H new ATOM 0 HB2 ALA A 55 4.531 -6.805 -9.579 1.00 13.20 H new ATOM 0 HB3 ALA A 55 4.262 -5.805 -8.132 1.00 13.20 H new ATOM 836 N ALA A 56 3.707 -7.288 -5.489 1.00 1.14 N ATOM 837 CA ALA A 56 3.980 -7.057 -4.076 1.00 70.33 C ATOM 838 C ALA A 56 3.868 -8.334 -3.252 1.00 52.13 C ATOM 839 O ALA A 56 4.786 -8.689 -2.511 1.00 64.34 O ATOM 840 CB ALA A 56 3.034 -5.999 -3.528 1.00 64.45 C ATOM 0 H ALA A 56 2.780 -6.990 -5.792 1.00 1.14 H new ATOM 0 HA ALA A 56 5.009 -6.706 -3.996 1.00 70.33 H new ATOM 0 HB1 ALA A 56 3.246 -5.834 -2.472 1.00 64.45 H new ATOM 0 HB2 ALA A 56 3.173 -5.067 -4.076 1.00 64.45 H new ATOM 0 HB3 ALA A 56 2.004 -6.337 -3.643 1.00 64.45 H new ATOM 846 N SER A 57 2.748 -9.025 -3.389 1.00 21.21 N ATOM 847 CA SER A 57 2.463 -10.179 -2.562 1.00 51.22 C ATOM 848 C SER A 57 3.231 -11.404 -3.035 1.00 11.12 C ATOM 849 O SER A 57 3.372 -11.644 -4.236 1.00 44.33 O ATOM 850 CB SER A 57 0.963 -10.473 -2.569 1.00 72.35 C ATOM 851 OG SER A 57 0.660 -11.586 -1.746 1.00 32.30 O ATOM 0 H SER A 57 2.021 -8.803 -4.069 1.00 21.21 H new ATOM 0 HA SER A 57 2.783 -9.949 -1.546 1.00 51.22 H new ATOM 0 HB2 SER A 57 0.416 -9.598 -2.219 1.00 72.35 H new ATOM 0 HB3 SER A 57 0.632 -10.669 -3.589 1.00 72.35 H new ATOM 0 HG SER A 57 1.081 -11.469 -0.869 1.00 32.30 H new ATOM 857 N SER A 58 3.710 -12.185 -2.076 1.00 62.20 N ATOM 858 CA SER A 58 4.391 -13.438 -2.370 1.00 11.31 C ATOM 859 C SER A 58 3.390 -14.494 -2.833 1.00 40.23 C ATOM 860 O SER A 58 3.771 -15.555 -3.332 1.00 53.41 O ATOM 861 CB SER A 58 5.159 -13.929 -1.139 1.00 12.53 C ATOM 862 OG SER A 58 4.325 -13.962 0.011 1.00 12.34 O ATOM 0 H SER A 58 3.638 -11.970 -1.081 1.00 62.20 H new ATOM 0 HA SER A 58 5.104 -13.264 -3.176 1.00 11.31 H new ATOM 0 HB2 SER A 58 5.558 -14.925 -1.330 1.00 12.53 H new ATOM 0 HB3 SER A 58 6.011 -13.275 -0.954 1.00 12.53 H new ATOM 0 HG SER A 58 4.408 -13.117 0.500 1.00 12.34 H new ATOM 868 N ALA A 59 2.104 -14.196 -2.662 1.00 63.34 N ATOM 869 CA ALA A 59 1.047 -15.056 -3.173 1.00 63.41 C ATOM 870 C ALA A 59 0.929 -14.894 -4.682 1.00 63.03 C ATOM 871 O ALA A 59 0.253 -15.682 -5.349 1.00 52.51 O ATOM 872 CB ALA A 59 -0.279 -14.744 -2.492 1.00 0.12 C ATOM 0 H ALA A 59 1.772 -13.365 -2.173 1.00 63.34 H new ATOM 0 HA ALA A 59 1.302 -16.092 -2.951 1.00 63.41 H new ATOM 0 HB1 ALA A 59 -1.055 -15.398 -2.889 1.00 0.12 H new ATOM 0 HB2 ALA A 59 -0.183 -14.905 -1.418 1.00 0.12 H new ATOM 0 HB3 ALA A 59 -0.549 -13.705 -2.681 1.00 0.12 H new ATOM 878 N ASP A 60 1.574 -13.837 -5.195 1.00 5.10 N ATOM 879 CA ASP A 60 1.684 -13.562 -6.635 1.00 5.31 C ATOM 880 C ASP A 60 0.366 -13.081 -7.241 1.00 64.12 C ATOM 881 O ASP A 60 0.356 -12.206 -8.099 1.00 45.52 O ATOM 882 CB ASP A 60 2.200 -14.792 -7.387 1.00 62.00 C ATOM 883 CG ASP A 60 2.380 -14.536 -8.870 1.00 14.22 C ATOM 884 OD1 ASP A 60 3.399 -13.921 -9.257 1.00 73.15 O ATOM 885 OD2 ASP A 60 1.515 -14.964 -9.658 1.00 61.05 O ATOM 0 H ASP A 60 2.040 -13.140 -4.614 1.00 5.10 H new ATOM 0 HA ASP A 60 2.404 -12.751 -6.745 1.00 5.31 H new ATOM 0 HB2 ASP A 60 3.152 -15.103 -6.958 1.00 62.00 H new ATOM 0 HB3 ASP A 60 1.503 -15.618 -7.247 1.00 62.00 H new ATOM 890 N GLU A 61 -0.742 -13.642 -6.785 1.00 14.50 N ATOM 891 CA GLU A 61 -2.055 -13.277 -7.305 1.00 20.20 C ATOM 892 C GLU A 61 -2.627 -12.061 -6.581 1.00 55.34 C ATOM 893 O GLU A 61 -3.769 -11.667 -6.821 1.00 73.35 O ATOM 894 CB GLU A 61 -3.013 -14.457 -7.182 1.00 40.22 C ATOM 895 CG GLU A 61 -2.645 -15.625 -8.078 1.00 63.21 C ATOM 896 CD GLU A 61 -3.501 -16.840 -7.822 1.00 14.54 C ATOM 897 OE1 GLU A 61 -4.721 -16.782 -8.089 1.00 11.41 O ATOM 898 OE2 GLU A 61 -2.961 -17.855 -7.336 1.00 75.40 O ATOM 0 H GLU A 61 -0.761 -14.354 -6.054 1.00 14.50 H new ATOM 0 HA GLU A 61 -1.936 -13.015 -8.356 1.00 20.20 H new ATOM 0 HB2 GLU A 61 -3.031 -14.795 -6.146 1.00 40.22 H new ATOM 0 HB3 GLU A 61 -4.022 -14.124 -7.427 1.00 40.22 H new ATOM 0 HG2 GLU A 61 -2.748 -15.325 -9.121 1.00 63.21 H new ATOM 0 HG3 GLU A 61 -1.598 -15.883 -7.922 1.00 63.21 H new ATOM 905 N GLY A 62 -1.833 -11.471 -5.696 1.00 3.43 N ATOM 906 CA GLY A 62 -2.265 -10.280 -4.986 1.00 31.22 C ATOM 907 C GLY A 62 -2.894 -10.588 -3.643 1.00 63.52 C ATOM 908 O GLY A 62 -3.457 -9.698 -3.001 1.00 34.34 O ATOM 0 H GLY A 62 -0.896 -11.796 -5.456 1.00 3.43 H new ATOM 0 HA2 GLY A 62 -1.409 -9.621 -4.838 1.00 31.22 H new ATOM 0 HA3 GLY A 62 -2.982 -9.737 -5.601 1.00 31.22 H new ATOM 912 N ALA A 63 -2.794 -11.852 -3.229 1.00 42.51 N ATOM 913 CA ALA A 63 -3.349 -12.312 -1.957 1.00 13.24 C ATOM 914 C ALA A 63 -4.871 -12.203 -1.957 1.00 72.14 C ATOM 915 O ALA A 63 -5.492 -12.130 -3.021 1.00 35.40 O ATOM 916 CB ALA A 63 -2.739 -11.537 -0.801 1.00 25.35 C ATOM 0 H ALA A 63 -2.327 -12.583 -3.765 1.00 42.51 H new ATOM 0 HA ALA A 63 -3.095 -13.364 -1.829 1.00 13.24 H new ATOM 0 HB1 ALA A 63 -3.163 -11.892 0.139 1.00 25.35 H new ATOM 0 HB2 ALA A 63 -1.659 -11.687 -0.792 1.00 25.35 H new ATOM 0 HB3 ALA A 63 -2.957 -10.476 -0.920 1.00 25.35 H new ATOM 922 N SER A 64 -5.471 -12.231 -0.773 1.00 45.11 N ATOM 923 CA SER A 64 -6.911 -12.092 -0.645 1.00 22.32 C ATOM 924 C SER A 64 -7.340 -10.690 -1.061 1.00 73.52 C ATOM 925 O SER A 64 -7.057 -9.713 -0.365 1.00 13.25 O ATOM 926 CB SER A 64 -7.335 -12.376 0.797 1.00 62.32 C ATOM 927 OG SER A 64 -6.855 -13.639 1.222 1.00 25.12 O ATOM 0 H SER A 64 -4.979 -12.349 0.112 1.00 45.11 H new ATOM 0 HA SER A 64 -7.399 -12.812 -1.301 1.00 22.32 H new ATOM 0 HB2 SER A 64 -6.951 -11.596 1.454 1.00 62.32 H new ATOM 0 HB3 SER A 64 -8.422 -12.350 0.873 1.00 62.32 H new ATOM 0 HG SER A 64 -7.135 -13.801 2.147 1.00 25.12 H new ATOM 933 N VAL A 65 -7.999 -10.596 -2.206 1.00 43.53 N ATOM 934 CA VAL A 65 -8.412 -9.312 -2.741 1.00 51.44 C ATOM 935 C VAL A 65 -9.931 -9.217 -2.837 1.00 61.35 C ATOM 936 O VAL A 65 -10.590 -10.072 -3.432 1.00 31.22 O ATOM 937 CB VAL A 65 -7.773 -9.040 -4.128 1.00 52.33 C ATOM 938 CG1 VAL A 65 -8.035 -10.185 -5.099 1.00 41.12 C ATOM 939 CG2 VAL A 65 -8.274 -7.723 -4.708 1.00 22.01 C ATOM 0 H VAL A 65 -8.259 -11.397 -2.782 1.00 43.53 H new ATOM 0 HA VAL A 65 -8.059 -8.549 -2.047 1.00 51.44 H new ATOM 0 HB VAL A 65 -6.695 -8.966 -3.982 1.00 52.33 H new ATOM 0 HG11 VAL A 65 -7.573 -9.960 -6.060 1.00 41.12 H new ATOM 0 HG12 VAL A 65 -7.610 -11.106 -4.699 1.00 41.12 H new ATOM 0 HG13 VAL A 65 -9.110 -10.309 -5.233 1.00 41.12 H new ATOM 0 HG21 VAL A 65 -7.812 -7.554 -5.681 1.00 22.01 H new ATOM 0 HG22 VAL A 65 -9.357 -7.765 -4.823 1.00 22.01 H new ATOM 0 HG23 VAL A 65 -8.012 -6.906 -4.035 1.00 22.01 H new ATOM 949 N ALA A 66 -10.479 -8.192 -2.215 1.00 32.20 N ATOM 950 CA ALA A 66 -11.897 -7.898 -2.308 1.00 43.35 C ATOM 951 C ALA A 66 -12.088 -6.396 -2.413 1.00 33.30 C ATOM 952 O ALA A 66 -11.338 -5.639 -1.805 1.00 75.50 O ATOM 953 CB ALA A 66 -12.639 -8.448 -1.099 1.00 5.21 C ATOM 0 H ALA A 66 -9.955 -7.540 -1.631 1.00 32.20 H new ATOM 0 HA ALA A 66 -12.307 -8.377 -3.197 1.00 43.35 H new ATOM 0 HB1 ALA A 66 -13.701 -8.217 -1.188 1.00 5.21 H new ATOM 0 HB2 ALA A 66 -12.505 -9.529 -1.051 1.00 5.21 H new ATOM 0 HB3 ALA A 66 -12.243 -7.993 -0.191 1.00 5.21 H new ATOM 959 N TYR A 67 -13.061 -5.957 -3.195 1.00 21.32 N ATOM 960 CA TYR A 67 -13.308 -4.532 -3.337 1.00 10.10 C ATOM 961 C TYR A 67 -14.755 -4.267 -3.724 1.00 21.40 C ATOM 962 O TYR A 67 -15.411 -5.110 -4.337 1.00 12.20 O ATOM 963 CB TYR A 67 -12.361 -3.910 -4.376 1.00 21.14 C ATOM 964 CG TYR A 67 -12.750 -4.164 -5.822 1.00 44.05 C ATOM 965 CD1 TYR A 67 -12.455 -5.371 -6.450 1.00 34.03 C ATOM 966 CD2 TYR A 67 -13.411 -3.187 -6.559 1.00 22.43 C ATOM 967 CE1 TYR A 67 -12.811 -5.594 -7.769 1.00 25.15 C ATOM 968 CE2 TYR A 67 -13.768 -3.403 -7.876 1.00 72.11 C ATOM 969 CZ TYR A 67 -13.467 -4.607 -8.476 1.00 55.03 C ATOM 970 OH TYR A 67 -13.825 -4.825 -9.788 1.00 44.13 O ATOM 0 H TYR A 67 -13.685 -6.557 -3.734 1.00 21.32 H new ATOM 0 HA TYR A 67 -13.116 -4.066 -2.371 1.00 10.10 H new ATOM 0 HB2 TYR A 67 -12.318 -2.834 -4.209 1.00 21.14 H new ATOM 0 HB3 TYR A 67 -11.356 -4.299 -4.211 1.00 21.14 H new ATOM 0 HD1 TYR A 67 -11.941 -6.145 -5.900 1.00 34.03 H new ATOM 0 HD2 TYR A 67 -13.650 -2.242 -6.093 1.00 22.43 H new ATOM 0 HE1 TYR A 67 -12.576 -6.536 -8.242 1.00 25.15 H new ATOM 0 HE2 TYR A 67 -14.280 -2.632 -8.433 1.00 72.11 H new ATOM 0 HH TYR A 67 -14.056 -3.971 -10.210 1.00 44.13 H new ATOM 980 N LYS A 68 -15.244 -3.095 -3.353 1.00 51.34 N ATOM 981 CA LYS A 68 -16.579 -2.664 -3.733 1.00 63.03 C ATOM 982 C LYS A 68 -16.543 -1.254 -4.286 1.00 74.22 C ATOM 983 O LYS A 68 -15.601 -0.495 -4.040 1.00 5.42 O ATOM 984 CB LYS A 68 -17.541 -2.703 -2.546 1.00 54.31 C ATOM 985 CG LYS A 68 -17.857 -4.100 -2.053 1.00 11.10 C ATOM 986 CD LYS A 68 -18.806 -4.063 -0.866 1.00 43.42 C ATOM 987 CE LYS A 68 -18.239 -3.238 0.279 1.00 64.50 C ATOM 988 NZ LYS A 68 -19.229 -3.053 1.370 1.00 61.53 N ATOM 0 H LYS A 68 -14.732 -2.421 -2.785 1.00 51.34 H new ATOM 0 HA LYS A 68 -16.934 -3.355 -4.497 1.00 63.03 H new ATOM 0 HB2 LYS A 68 -17.112 -2.128 -1.725 1.00 54.31 H new ATOM 0 HB3 LYS A 68 -18.471 -2.210 -2.829 1.00 54.31 H new ATOM 0 HG2 LYS A 68 -18.303 -4.681 -2.860 1.00 11.10 H new ATOM 0 HG3 LYS A 68 -16.934 -4.605 -1.768 1.00 11.10 H new ATOM 0 HD2 LYS A 68 -19.763 -3.645 -1.178 1.00 43.42 H new ATOM 0 HD3 LYS A 68 -18.999 -5.079 -0.522 1.00 43.42 H new ATOM 0 HE2 LYS A 68 -17.350 -3.729 0.675 1.00 64.50 H new ATOM 0 HE3 LYS A 68 -17.925 -2.264 -0.096 1.00 64.50 H new ATOM 0 HZ1 LYS A 68 -18.805 -2.486 2.131 1.00 61.53 H new ATOM 0 HZ2 LYS A 68 -20.067 -2.562 0.999 1.00 61.53 H new ATOM 0 HZ3 LYS A 68 -19.510 -3.981 1.745 1.00 61.53 H new ATOM 1002 N ILE A 69 -17.582 -0.920 -5.022 1.00 3.33 N ATOM 1003 CA ILE A 69 -17.749 0.412 -5.570 1.00 31.33 C ATOM 1004 C ILE A 69 -19.164 0.896 -5.292 1.00 75.51 C ATOM 1005 O ILE A 69 -20.118 0.436 -5.921 1.00 22.24 O ATOM 1006 CB ILE A 69 -17.495 0.452 -7.094 1.00 20.22 C ATOM 1007 CG1 ILE A 69 -16.102 -0.094 -7.423 1.00 60.20 C ATOM 1008 CG2 ILE A 69 -17.645 1.876 -7.617 1.00 40.33 C ATOM 1009 CD1 ILE A 69 -15.808 -0.160 -8.906 1.00 10.20 C ATOM 0 H ILE A 69 -18.336 -1.565 -5.258 1.00 3.33 H new ATOM 0 HA ILE A 69 -17.015 1.060 -5.090 1.00 31.33 H new ATOM 0 HB ILE A 69 -18.235 -0.180 -7.584 1.00 20.22 H new ATOM 0 HG12 ILE A 69 -15.352 0.534 -6.941 1.00 60.20 H new ATOM 0 HG13 ILE A 69 -16.003 -1.093 -6.997 1.00 60.20 H new ATOM 0 HG21 ILE A 69 -17.463 1.890 -8.692 1.00 40.33 H new ATOM 0 HG22 ILE A 69 -18.655 2.233 -7.415 1.00 40.33 H new ATOM 0 HG23 ILE A 69 -16.924 2.524 -7.119 1.00 40.33 H new ATOM 0 HD11 ILE A 69 -14.804 -0.556 -9.061 1.00 10.20 H new ATOM 0 HD12 ILE A 69 -16.534 -0.811 -9.392 1.00 10.20 H new ATOM 0 HD13 ILE A 69 -15.873 0.840 -9.335 1.00 10.20 H new ATOM 1021 N LYS A 70 -19.308 1.792 -4.330 1.00 32.31 N ATOM 1022 CA LYS A 70 -20.620 2.313 -3.985 1.00 41.02 C ATOM 1023 C LYS A 70 -20.835 3.661 -4.648 1.00 20.13 C ATOM 1024 O LYS A 70 -20.040 4.587 -4.475 1.00 11.23 O ATOM 1025 CB LYS A 70 -20.783 2.428 -2.468 1.00 75.55 C ATOM 1026 CG LYS A 70 -22.128 2.994 -2.040 1.00 31.32 C ATOM 1027 CD LYS A 70 -22.346 2.841 -0.545 1.00 43.30 C ATOM 1028 CE LYS A 70 -23.620 3.535 -0.088 1.00 22.24 C ATOM 1029 NZ LYS A 70 -24.833 3.017 -0.778 1.00 71.23 N ATOM 0 H LYS A 70 -18.539 2.171 -3.778 1.00 32.31 H new ATOM 0 HA LYS A 70 -21.374 1.616 -4.350 1.00 41.02 H new ATOM 0 HB2 LYS A 70 -20.655 1.442 -2.022 1.00 75.55 H new ATOM 0 HB3 LYS A 70 -19.989 3.062 -2.073 1.00 75.55 H new ATOM 0 HG2 LYS A 70 -22.183 4.048 -2.311 1.00 31.32 H new ATOM 0 HG3 LYS A 70 -22.927 2.484 -2.579 1.00 31.32 H new ATOM 0 HD2 LYS A 70 -22.397 1.782 -0.291 1.00 43.30 H new ATOM 0 HD3 LYS A 70 -21.493 3.256 -0.009 1.00 43.30 H new ATOM 0 HE2 LYS A 70 -23.735 3.404 0.988 1.00 22.24 H new ATOM 0 HE3 LYS A 70 -23.532 4.606 -0.271 1.00 22.24 H new ATOM 0 HZ1 LYS A 70 -25.681 3.449 -0.360 1.00 71.23 H new ATOM 0 HZ2 LYS A 70 -24.786 3.255 -1.789 1.00 71.23 H new ATOM 0 HZ3 LYS A 70 -24.881 1.984 -0.668 1.00 71.23 H new ATOM 1043 N ASP A 71 -21.904 3.757 -5.416 1.00 1.22 N ATOM 1044 CA ASP A 71 -22.214 4.961 -6.160 1.00 63.24 C ATOM 1045 C ASP A 71 -22.780 6.037 -5.236 1.00 62.15 C ATOM 1046 O ASP A 71 -23.662 5.771 -4.416 1.00 53.14 O ATOM 1047 CB ASP A 71 -23.215 4.643 -7.275 1.00 62.44 C ATOM 1048 CG ASP A 71 -24.575 4.221 -6.749 1.00 13.03 C ATOM 1049 OD1 ASP A 71 -24.694 3.087 -6.233 1.00 63.24 O ATOM 1050 OD2 ASP A 71 -25.531 5.020 -6.848 1.00 54.53 O ATOM 0 H ASP A 71 -22.580 3.004 -5.541 1.00 1.22 H new ATOM 0 HA ASP A 71 -21.294 5.340 -6.604 1.00 63.24 H new ATOM 0 HB2 ASP A 71 -23.334 5.521 -7.910 1.00 62.44 H new ATOM 0 HB3 ASP A 71 -22.811 3.848 -7.902 1.00 62.44 H new ATOM 1055 N LEU A 72 -22.246 7.241 -5.353 1.00 22.43 N ATOM 1056 CA LEU A 72 -22.735 8.381 -4.592 1.00 12.32 C ATOM 1057 C LEU A 72 -23.070 9.519 -5.543 1.00 22.12 C ATOM 1058 O LEU A 72 -23.021 9.351 -6.764 1.00 42.43 O ATOM 1059 CB LEU A 72 -21.687 8.844 -3.573 1.00 54.31 C ATOM 1060 CG LEU A 72 -21.268 7.794 -2.546 1.00 23.12 C ATOM 1061 CD1 LEU A 72 -20.153 8.328 -1.662 1.00 42.13 C ATOM 1062 CD2 LEU A 72 -22.458 7.366 -1.701 1.00 55.42 C ATOM 0 H LEU A 72 -21.466 7.456 -5.974 1.00 22.43 H new ATOM 0 HA LEU A 72 -23.632 8.081 -4.049 1.00 12.32 H new ATOM 0 HB2 LEU A 72 -20.800 9.174 -4.113 1.00 54.31 H new ATOM 0 HB3 LEU A 72 -22.079 9.712 -3.042 1.00 54.31 H new ATOM 0 HG LEU A 72 -20.896 6.921 -3.082 1.00 23.12 H new ATOM 0 HD11 LEU A 72 -19.867 7.566 -0.936 1.00 42.13 H new ATOM 0 HD12 LEU A 72 -19.291 8.584 -2.278 1.00 42.13 H new ATOM 0 HD13 LEU A 72 -20.500 9.218 -1.136 1.00 42.13 H new ATOM 0 HD21 LEU A 72 -22.139 6.618 -0.976 1.00 55.42 H new ATOM 0 HD22 LEU A 72 -22.861 8.232 -1.176 1.00 55.42 H new ATOM 0 HD23 LEU A 72 -23.228 6.941 -2.345 1.00 55.42 H new ATOM 1074 N GLU A 73 -23.388 10.677 -4.993 1.00 73.30 N ATOM 1075 CA GLU A 73 -23.740 11.821 -5.812 1.00 15.53 C ATOM 1076 C GLU A 73 -22.478 12.550 -6.255 1.00 33.11 C ATOM 1077 O GLU A 73 -21.810 13.212 -5.454 1.00 53.50 O ATOM 1078 CB GLU A 73 -24.665 12.763 -5.039 1.00 55.42 C ATOM 1079 CG GLU A 73 -25.607 13.574 -5.921 1.00 22.02 C ATOM 1080 CD GLU A 73 -24.888 14.498 -6.879 1.00 11.25 C ATOM 1081 OE1 GLU A 73 -24.550 15.631 -6.478 1.00 75.21 O ATOM 1082 OE2 GLU A 73 -24.661 14.099 -8.041 1.00 43.31 O ATOM 0 H GLU A 73 -23.410 10.849 -3.988 1.00 73.30 H new ATOM 0 HA GLU A 73 -24.271 11.473 -6.698 1.00 15.53 H new ATOM 0 HB2 GLU A 73 -25.257 12.177 -4.336 1.00 55.42 H new ATOM 0 HB3 GLU A 73 -24.057 13.449 -4.449 1.00 55.42 H new ATOM 0 HG2 GLU A 73 -26.237 12.891 -6.491 1.00 22.02 H new ATOM 0 HG3 GLU A 73 -26.269 14.164 -5.287 1.00 22.02 H new ATOM 1089 N GLY A 74 -22.141 12.392 -7.525 1.00 62.13 N ATOM 1090 CA GLY A 74 -21.017 13.102 -8.101 1.00 31.22 C ATOM 1091 C GLY A 74 -19.695 12.404 -7.869 1.00 41.12 C ATOM 1092 O GLY A 74 -18.654 12.877 -8.321 1.00 52.45 O ATOM 0 H GLY A 74 -22.632 11.777 -8.175 1.00 62.13 H new ATOM 0 HA2 GLY A 74 -21.178 13.217 -9.173 1.00 31.22 H new ATOM 0 HA3 GLY A 74 -20.972 14.105 -7.676 1.00 31.22 H new ATOM 1096 N GLN A 75 -19.734 11.287 -7.162 1.00 64.40 N ATOM 1097 CA GLN A 75 -18.536 10.517 -6.876 1.00 53.54 C ATOM 1098 C GLN A 75 -18.915 9.118 -6.428 1.00 52.14 C ATOM 1099 O GLN A 75 -20.084 8.836 -6.192 1.00 43.42 O ATOM 1100 CB GLN A 75 -17.681 11.207 -5.804 1.00 10.24 C ATOM 1101 CG GLN A 75 -18.428 11.523 -4.519 1.00 2.51 C ATOM 1102 CD GLN A 75 -17.530 12.145 -3.467 1.00 31.25 C ATOM 1103 OE1 GLN A 75 -16.541 12.809 -3.786 1.00 12.13 O ATOM 1104 NE2 GLN A 75 -17.876 11.950 -2.207 1.00 5.41 N ATOM 0 H GLN A 75 -20.590 10.891 -6.773 1.00 64.40 H new ATOM 0 HA GLN A 75 -17.943 10.451 -7.788 1.00 53.54 H new ATOM 0 HB2 GLN A 75 -16.829 10.569 -5.568 1.00 10.24 H new ATOM 0 HB3 GLN A 75 -17.281 12.134 -6.216 1.00 10.24 H new ATOM 0 HG2 GLN A 75 -19.251 12.203 -4.738 1.00 2.51 H new ATOM 0 HG3 GLN A 75 -18.867 10.608 -4.123 1.00 2.51 H new ATOM 0 HE21 GLN A 75 -18.702 11.394 -1.985 1.00 5.41 H new ATOM 0 HE22 GLN A 75 -17.317 12.355 -1.456 1.00 5.41 H new ATOM 1113 N VAL A 76 -17.935 8.244 -6.331 1.00 73.14 N ATOM 1114 CA VAL A 76 -18.163 6.887 -5.862 1.00 55.20 C ATOM 1115 C VAL A 76 -17.160 6.520 -4.788 1.00 0.24 C ATOM 1116 O VAL A 76 -16.111 7.150 -4.669 1.00 22.53 O ATOM 1117 CB VAL A 76 -18.058 5.851 -6.999 1.00 71.31 C ATOM 1118 CG1 VAL A 76 -19.136 6.078 -8.047 1.00 23.22 C ATOM 1119 CG2 VAL A 76 -16.672 5.878 -7.629 1.00 54.54 C ATOM 0 H VAL A 76 -16.965 8.448 -6.572 1.00 73.14 H new ATOM 0 HA VAL A 76 -19.176 6.865 -5.461 1.00 55.20 H new ATOM 0 HB VAL A 76 -18.215 4.862 -6.568 1.00 71.31 H new ATOM 0 HG11 VAL A 76 -19.038 5.333 -8.837 1.00 23.22 H new ATOM 0 HG12 VAL A 76 -20.119 5.989 -7.584 1.00 23.22 H new ATOM 0 HG13 VAL A 76 -19.025 7.075 -8.473 1.00 23.22 H new ATOM 0 HG21 VAL A 76 -16.621 5.139 -8.429 1.00 54.54 H new ATOM 0 HG22 VAL A 76 -16.478 6.869 -8.038 1.00 54.54 H new ATOM 0 HG23 VAL A 76 -15.923 5.645 -6.872 1.00 54.54 H new ATOM 1129 N GLU A 77 -17.483 5.499 -4.016 1.00 70.03 N ATOM 1130 CA GLU A 77 -16.580 5.002 -2.997 1.00 1.32 C ATOM 1131 C GLU A 77 -15.892 3.733 -3.474 1.00 72.52 C ATOM 1132 O GLU A 77 -16.541 2.706 -3.695 1.00 20.20 O ATOM 1133 CB GLU A 77 -17.340 4.729 -1.696 1.00 23.21 C ATOM 1134 CG GLU A 77 -16.498 4.040 -0.632 1.00 63.03 C ATOM 1135 CD GLU A 77 -17.283 3.733 0.625 1.00 42.34 C ATOM 1136 OE1 GLU A 77 -18.278 2.979 0.543 1.00 74.43 O ATOM 1137 OE2 GLU A 77 -16.921 4.253 1.698 1.00 1.45 O ATOM 0 H GLU A 77 -18.368 4.996 -4.077 1.00 70.03 H new ATOM 0 HA GLU A 77 -15.823 5.763 -2.807 1.00 1.32 H new ATOM 0 HB2 GLU A 77 -17.713 5.673 -1.298 1.00 23.21 H new ATOM 0 HB3 GLU A 77 -18.210 4.110 -1.916 1.00 23.21 H new ATOM 0 HG2 GLU A 77 -16.094 3.113 -1.038 1.00 63.03 H new ATOM 0 HG3 GLU A 77 -15.649 4.675 -0.379 1.00 63.03 H new ATOM 1144 N LEU A 78 -14.585 3.817 -3.654 1.00 54.41 N ATOM 1145 CA LEU A 78 -13.785 2.655 -3.985 1.00 52.31 C ATOM 1146 C LEU A 78 -13.203 2.096 -2.695 1.00 44.43 C ATOM 1147 O LEU A 78 -12.365 2.731 -2.050 1.00 31.11 O ATOM 1148 CB LEU A 78 -12.681 3.029 -4.993 1.00 74.20 C ATOM 1149 CG LEU A 78 -11.879 1.864 -5.610 1.00 4.52 C ATOM 1150 CD1 LEU A 78 -10.785 1.384 -4.667 1.00 24.02 C ATOM 1151 CD2 LEU A 78 -12.802 0.709 -5.980 1.00 33.45 C ATOM 0 H LEU A 78 -14.054 4.685 -3.575 1.00 54.41 H new ATOM 0 HA LEU A 78 -14.401 1.892 -4.461 1.00 52.31 H new ATOM 0 HB2 LEU A 78 -13.139 3.594 -5.805 1.00 74.20 H new ATOM 0 HB3 LEU A 78 -11.979 3.699 -4.496 1.00 74.20 H new ATOM 0 HG LEU A 78 -11.404 2.236 -6.518 1.00 4.52 H new ATOM 0 HD11 LEU A 78 -10.239 0.563 -5.131 1.00 24.02 H new ATOM 0 HD12 LEU A 78 -10.099 2.205 -4.458 1.00 24.02 H new ATOM 0 HD13 LEU A 78 -11.233 1.040 -3.735 1.00 24.02 H new ATOM 0 HD21 LEU A 78 -12.215 -0.101 -6.413 1.00 33.45 H new ATOM 0 HD22 LEU A 78 -13.312 0.350 -5.086 1.00 33.45 H new ATOM 0 HD23 LEU A 78 -13.540 1.051 -6.706 1.00 33.45 H new ATOM 1163 N ASP A 79 -13.673 0.926 -2.311 1.00 75.02 N ATOM 1164 CA ASP A 79 -13.269 0.321 -1.047 1.00 22.24 C ATOM 1165 C ASP A 79 -12.563 -1.000 -1.305 1.00 61.33 C ATOM 1166 O ASP A 79 -13.197 -1.991 -1.670 1.00 51.32 O ATOM 1167 CB ASP A 79 -14.490 0.109 -0.144 1.00 42.43 C ATOM 1168 CG ASP A 79 -14.122 -0.357 1.254 1.00 24.44 C ATOM 1169 OD1 ASP A 79 -13.879 -1.564 1.442 1.00 74.10 O ATOM 1170 OD2 ASP A 79 -14.089 0.483 2.182 1.00 34.10 O ATOM 0 H ASP A 79 -14.336 0.371 -2.853 1.00 75.02 H new ATOM 0 HA ASP A 79 -12.578 0.994 -0.539 1.00 22.24 H new ATOM 0 HB2 ASP A 79 -15.049 1.042 -0.074 1.00 42.43 H new ATOM 0 HB3 ASP A 79 -15.151 -0.626 -0.603 1.00 42.43 H new ATOM 1175 N ALA A 80 -11.251 -1.001 -1.138 1.00 54.10 N ATOM 1176 CA ALA A 80 -10.445 -2.183 -1.402 1.00 53.50 C ATOM 1177 C ALA A 80 -9.938 -2.811 -0.108 1.00 23.03 C ATOM 1178 O ALA A 80 -9.468 -2.113 0.791 1.00 64.14 O ATOM 1179 CB ALA A 80 -9.281 -1.828 -2.313 1.00 31.21 C ATOM 0 H ALA A 80 -10.718 -0.192 -0.819 1.00 54.10 H new ATOM 0 HA ALA A 80 -11.076 -2.918 -1.901 1.00 53.50 H new ATOM 0 HB1 ALA A 80 -8.684 -2.720 -2.505 1.00 31.21 H new ATOM 0 HB2 ALA A 80 -9.663 -1.438 -3.256 1.00 31.21 H new ATOM 0 HB3 ALA A 80 -8.660 -1.072 -1.832 1.00 31.21 H new ATOM 1185 N ALA A 81 -10.050 -4.126 -0.029 1.00 2.40 N ATOM 1186 CA ALA A 81 -9.589 -4.885 1.119 1.00 33.44 C ATOM 1187 C ALA A 81 -8.636 -5.992 0.678 1.00 4.03 C ATOM 1188 O ALA A 81 -9.045 -6.955 0.027 1.00 53.00 O ATOM 1189 CB ALA A 81 -10.769 -5.482 1.873 1.00 5.21 C ATOM 0 H ALA A 81 -10.465 -4.699 -0.763 1.00 2.40 H new ATOM 0 HA ALA A 81 -9.055 -4.207 1.785 1.00 33.44 H new ATOM 0 HB1 ALA A 81 -10.404 -6.048 2.730 1.00 5.21 H new ATOM 0 HB2 ALA A 81 -11.423 -4.681 2.218 1.00 5.21 H new ATOM 0 HB3 ALA A 81 -11.326 -6.145 1.211 1.00 5.21 H new ATOM 1195 N PHE A 82 -7.368 -5.836 1.010 1.00 70.42 N ATOM 1196 CA PHE A 82 -6.367 -6.849 0.707 1.00 70.42 C ATOM 1197 C PHE A 82 -5.908 -7.519 1.993 1.00 12.14 C ATOM 1198 O PHE A 82 -5.953 -6.914 3.060 1.00 75.55 O ATOM 1199 CB PHE A 82 -5.155 -6.222 0.009 1.00 61.13 C ATOM 1200 CG PHE A 82 -5.457 -5.584 -1.320 1.00 33.04 C ATOM 1201 CD1 PHE A 82 -5.906 -4.275 -1.391 1.00 53.14 C ATOM 1202 CD2 PHE A 82 -5.284 -6.294 -2.496 1.00 54.34 C ATOM 1203 CE1 PHE A 82 -6.178 -3.687 -2.611 1.00 25.11 C ATOM 1204 CE2 PHE A 82 -5.555 -5.711 -3.719 1.00 12.14 C ATOM 1205 CZ PHE A 82 -6.005 -4.405 -3.777 1.00 65.42 C ATOM 0 H PHE A 82 -7.003 -5.014 1.492 1.00 70.42 H new ATOM 0 HA PHE A 82 -6.817 -7.587 0.043 1.00 70.42 H new ATOM 0 HB2 PHE A 82 -4.722 -5.470 0.668 1.00 61.13 H new ATOM 0 HB3 PHE A 82 -4.398 -6.992 -0.136 1.00 61.13 H new ATOM 0 HD1 PHE A 82 -6.045 -3.708 -0.482 1.00 53.14 H new ATOM 0 HD2 PHE A 82 -4.933 -7.315 -2.457 1.00 54.34 H new ATOM 0 HE1 PHE A 82 -6.526 -2.665 -2.652 1.00 25.11 H new ATOM 0 HE2 PHE A 82 -5.415 -6.275 -4.629 1.00 12.14 H new ATOM 0 HZ PHE A 82 -6.220 -3.948 -4.732 1.00 65.42 H new ATOM 1215 N THR A 83 -5.482 -8.766 1.905 1.00 41.43 N ATOM 1216 CA THR A 83 -4.913 -9.445 3.056 1.00 40.40 C ATOM 1217 C THR A 83 -3.685 -10.232 2.629 1.00 43.40 C ATOM 1218 O THR A 83 -3.797 -11.291 2.016 1.00 23.43 O ATOM 1219 CB THR A 83 -5.940 -10.377 3.728 1.00 15.41 C ATOM 1220 OG1 THR A 83 -7.130 -9.636 4.042 1.00 61.43 O ATOM 1221 CG2 THR A 83 -5.371 -10.983 5.001 1.00 53.00 C ATOM 0 H THR A 83 -5.519 -9.327 1.054 1.00 41.43 H new ATOM 0 HA THR A 83 -4.625 -8.691 3.789 1.00 40.40 H new ATOM 0 HB THR A 83 -6.177 -11.184 3.035 1.00 15.41 H new ATOM 0 HG1 THR A 83 -7.783 -10.230 4.468 1.00 61.43 H new ATOM 0 HG21 THR A 83 -6.115 -11.637 5.457 1.00 53.00 H new ATOM 0 HG22 THR A 83 -4.478 -11.561 4.762 1.00 53.00 H new ATOM 0 HG23 THR A 83 -5.112 -10.187 5.699 1.00 53.00 H new ATOM 1229 N PHE A 84 -2.518 -9.698 2.951 1.00 3.31 N ATOM 1230 CA PHE A 84 -1.264 -10.241 2.455 1.00 73.34 C ATOM 1231 C PHE A 84 -0.721 -11.317 3.378 1.00 52.14 C ATOM 1232 O PHE A 84 -1.115 -11.410 4.541 1.00 72.42 O ATOM 1233 CB PHE A 84 -0.244 -9.117 2.290 1.00 60.22 C ATOM 1234 CG PHE A 84 -0.649 -8.104 1.260 1.00 23.03 C ATOM 1235 CD1 PHE A 84 -0.441 -8.352 -0.087 1.00 71.25 C ATOM 1236 CD2 PHE A 84 -1.249 -6.914 1.634 1.00 24.10 C ATOM 1237 CE1 PHE A 84 -0.821 -7.433 -1.042 1.00 34.31 C ATOM 1238 CE2 PHE A 84 -1.634 -5.990 0.682 1.00 63.14 C ATOM 1239 CZ PHE A 84 -1.420 -6.252 -0.657 1.00 54.52 C ATOM 0 H PHE A 84 -2.413 -8.884 3.557 1.00 3.31 H new ATOM 0 HA PHE A 84 -1.452 -10.703 1.486 1.00 73.34 H new ATOM 0 HB2 PHE A 84 -0.105 -8.617 3.248 1.00 60.22 H new ATOM 0 HB3 PHE A 84 0.719 -9.546 2.011 1.00 60.22 H new ATOM 0 HD1 PHE A 84 0.025 -9.277 -0.393 1.00 71.25 H new ATOM 0 HD2 PHE A 84 -1.418 -6.706 2.680 1.00 24.10 H new ATOM 0 HE1 PHE A 84 -0.650 -7.637 -2.089 1.00 34.31 H new ATOM 0 HE2 PHE A 84 -2.101 -5.065 0.984 1.00 63.14 H new ATOM 0 HZ PHE A 84 -1.722 -5.532 -1.403 1.00 54.52 H new ATOM 1249 N SER A 85 0.198 -12.115 2.851 1.00 32.34 N ATOM 1250 CA SER A 85 0.772 -13.224 3.594 1.00 3.20 C ATOM 1251 C SER A 85 1.663 -12.720 4.721 1.00 60.11 C ATOM 1252 O SER A 85 1.755 -13.341 5.784 1.00 24.45 O ATOM 1253 CB SER A 85 1.575 -14.120 2.648 1.00 10.22 C ATOM 1254 OG SER A 85 0.759 -14.604 1.596 1.00 64.12 O ATOM 0 H SER A 85 0.563 -12.012 1.904 1.00 32.34 H new ATOM 0 HA SER A 85 -0.040 -13.802 4.036 1.00 3.20 H new ATOM 0 HB2 SER A 85 2.414 -13.560 2.235 1.00 10.22 H new ATOM 0 HB3 SER A 85 1.994 -14.959 3.204 1.00 10.22 H new ATOM 0 HG SER A 85 1.293 -15.173 1.003 1.00 64.12 H new ATOM 1260 N CYS A 86 2.307 -11.586 4.495 1.00 71.15 N ATOM 1261 CA CYS A 86 3.206 -11.020 5.484 1.00 11.50 C ATOM 1262 C CYS A 86 3.124 -9.501 5.463 1.00 13.53 C ATOM 1263 O CYS A 86 2.748 -8.905 4.456 1.00 14.01 O ATOM 1264 CB CYS A 86 4.643 -11.481 5.216 1.00 43.32 C ATOM 1265 SG CYS A 86 5.862 -10.866 6.401 1.00 5.52 S ATOM 0 H CYS A 86 2.223 -11.041 3.637 1.00 71.15 H new ATOM 0 HA CYS A 86 2.906 -11.369 6.472 1.00 11.50 H new ATOM 0 HB2 CYS A 86 4.668 -12.571 5.221 1.00 43.32 H new ATOM 0 HB3 CYS A 86 4.933 -11.160 4.216 1.00 43.32 H new ATOM 0 HG CYS A 86 7.040 -11.316 6.085 1.00 5.52 H new ATOM 1271 N GLN A 87 3.472 -8.879 6.575 1.00 5.41 N ATOM 1272 CA GLN A 87 3.493 -7.429 6.661 1.00 50.42 C ATOM 1273 C GLN A 87 4.596 -6.852 5.775 1.00 71.43 C ATOM 1274 O GLN A 87 4.528 -5.695 5.370 1.00 23.21 O ATOM 1275 CB GLN A 87 3.669 -6.984 8.113 1.00 71.21 C ATOM 1276 CG GLN A 87 3.799 -5.479 8.283 1.00 73.42 C ATOM 1277 CD GLN A 87 3.610 -5.028 9.715 1.00 14.51 C ATOM 1278 OE1 GLN A 87 4.208 -4.046 10.152 1.00 2.34 O ATOM 1279 NE2 GLN A 87 2.763 -5.729 10.451 1.00 52.41 N ATOM 0 H GLN A 87 3.745 -9.357 7.434 1.00 5.41 H new ATOM 0 HA GLN A 87 2.538 -7.047 6.300 1.00 50.42 H new ATOM 0 HB2 GLN A 87 2.817 -7.334 8.696 1.00 71.21 H new ATOM 0 HB3 GLN A 87 4.556 -7.465 8.525 1.00 71.21 H new ATOM 0 HG2 GLN A 87 4.782 -5.163 7.935 1.00 73.42 H new ATOM 0 HG3 GLN A 87 3.063 -4.982 7.651 1.00 73.42 H new ATOM 0 HE21 GLN A 87 2.287 -6.537 10.050 1.00 52.41 H new ATOM 0 HE22 GLN A 87 2.586 -5.461 11.419 1.00 52.41 H new ATOM 1288 N ALA A 88 5.595 -7.677 5.458 1.00 61.32 N ATOM 1289 CA ALA A 88 6.676 -7.268 4.565 1.00 14.24 C ATOM 1290 C ALA A 88 6.121 -6.801 3.223 1.00 1.45 C ATOM 1291 O ALA A 88 6.523 -5.762 2.705 1.00 71.24 O ATOM 1292 CB ALA A 88 7.660 -8.412 4.364 1.00 54.52 C ATOM 0 H ALA A 88 5.676 -8.632 5.807 1.00 61.32 H new ATOM 0 HA ALA A 88 7.203 -6.433 5.026 1.00 14.24 H new ATOM 0 HB1 ALA A 88 8.459 -8.091 3.696 1.00 54.52 H new ATOM 0 HB2 ALA A 88 8.084 -8.700 5.326 1.00 54.52 H new ATOM 0 HB3 ALA A 88 7.142 -9.265 3.926 1.00 54.52 H new ATOM 1298 N GLU A 89 5.179 -7.563 2.680 1.00 53.32 N ATOM 1299 CA GLU A 89 4.542 -7.207 1.418 1.00 34.02 C ATOM 1300 C GLU A 89 3.427 -6.189 1.644 1.00 73.35 C ATOM 1301 O GLU A 89 3.100 -5.404 0.758 1.00 53.31 O ATOM 1302 CB GLU A 89 4.015 -8.460 0.704 1.00 12.42 C ATOM 1303 CG GLU A 89 3.267 -9.424 1.605 1.00 72.55 C ATOM 1304 CD GLU A 89 2.904 -10.714 0.901 1.00 70.04 C ATOM 1305 OE1 GLU A 89 3.823 -11.498 0.592 1.00 72.22 O ATOM 1306 OE2 GLU A 89 1.708 -10.949 0.649 1.00 55.42 O ATOM 0 H GLU A 89 4.839 -8.431 3.094 1.00 53.32 H new ATOM 0 HA GLU A 89 5.290 -6.745 0.773 1.00 34.02 H new ATOM 0 HB2 GLU A 89 3.354 -8.151 -0.106 1.00 12.42 H new ATOM 0 HB3 GLU A 89 4.855 -8.984 0.248 1.00 12.42 H new ATOM 0 HG2 GLU A 89 3.880 -9.650 2.478 1.00 72.55 H new ATOM 0 HG3 GLU A 89 2.358 -8.945 1.969 1.00 72.55 H new ATOM 1313 N MET A 90 2.864 -6.200 2.845 1.00 64.22 N ATOM 1314 CA MET A 90 1.824 -5.249 3.228 1.00 14.20 C ATOM 1315 C MET A 90 2.347 -3.808 3.200 1.00 12.40 C ATOM 1316 O MET A 90 1.806 -2.960 2.486 1.00 2.30 O ATOM 1317 CB MET A 90 1.296 -5.597 4.624 1.00 11.53 C ATOM 1318 CG MET A 90 0.399 -4.536 5.238 1.00 31.00 C ATOM 1319 SD MET A 90 -1.114 -4.267 4.302 1.00 72.12 S ATOM 1320 CE MET A 90 -1.885 -3.008 5.317 1.00 31.40 C ATOM 0 H MET A 90 3.112 -6.864 3.579 1.00 64.22 H new ATOM 0 HA MET A 90 1.011 -5.320 2.505 1.00 14.20 H new ATOM 0 HB2 MET A 90 0.743 -6.534 4.567 1.00 11.53 H new ATOM 0 HB3 MET A 90 2.144 -5.767 5.288 1.00 11.53 H new ATOM 0 HG2 MET A 90 0.143 -4.830 6.256 1.00 31.00 H new ATOM 0 HG3 MET A 90 0.949 -3.598 5.306 1.00 31.00 H new ATOM 0 HE1 MET A 90 -2.935 -3.257 5.471 1.00 31.40 H new ATOM 0 HE2 MET A 90 -1.379 -2.958 6.281 1.00 31.40 H new ATOM 0 HE3 MET A 90 -1.811 -2.042 4.817 1.00 31.40 H new ATOM 1330 N ILE A 91 3.412 -3.548 3.958 1.00 13.12 N ATOM 1331 CA ILE A 91 3.957 -2.202 4.091 1.00 14.13 C ATOM 1332 C ILE A 91 4.397 -1.633 2.745 1.00 0.34 C ATOM 1333 O ILE A 91 4.071 -0.495 2.411 1.00 42.30 O ATOM 1334 CB ILE A 91 5.151 -2.158 5.075 1.00 34.13 C ATOM 1335 CG1 ILE A 91 6.197 -3.221 4.721 1.00 4.34 C ATOM 1336 CG2 ILE A 91 4.673 -2.334 6.510 1.00 74.42 C ATOM 1337 CD1 ILE A 91 7.473 -3.117 5.531 1.00 23.24 C ATOM 0 H ILE A 91 3.915 -4.258 4.491 1.00 13.12 H new ATOM 0 HA ILE A 91 3.149 -1.588 4.488 1.00 14.13 H new ATOM 0 HB ILE A 91 5.622 -1.179 4.986 1.00 34.13 H new ATOM 0 HG12 ILE A 91 5.762 -4.209 4.871 1.00 4.34 H new ATOM 0 HG13 ILE A 91 6.442 -3.138 3.662 1.00 4.34 H new ATOM 0 HG21 ILE A 91 5.528 -2.300 7.185 1.00 74.42 H new ATOM 0 HG22 ILE A 91 3.979 -1.533 6.763 1.00 74.42 H new ATOM 0 HG23 ILE A 91 4.170 -3.296 6.610 1.00 74.42 H new ATOM 0 HD11 ILE A 91 8.164 -3.902 5.224 1.00 23.24 H new ATOM 0 HD12 ILE A 91 7.932 -2.143 5.363 1.00 23.24 H new ATOM 0 HD13 ILE A 91 7.242 -3.231 6.590 1.00 23.24 H new ATOM 1349 N ILE A 92 5.109 -2.432 1.958 1.00 52.41 N ATOM 1350 CA ILE A 92 5.637 -1.963 0.687 1.00 53.02 C ATOM 1351 C ILE A 92 4.516 -1.716 -0.314 1.00 61.25 C ATOM 1352 O ILE A 92 4.627 -0.844 -1.172 1.00 42.13 O ATOM 1353 CB ILE A 92 6.700 -2.931 0.098 1.00 33.13 C ATOM 1354 CG1 ILE A 92 6.166 -4.363 -0.037 1.00 20.24 C ATOM 1355 CG2 ILE A 92 7.959 -2.913 0.951 1.00 52.31 C ATOM 1356 CD1 ILE A 92 5.500 -4.645 -1.367 1.00 3.31 C ATOM 0 H ILE A 92 5.332 -3.403 2.178 1.00 52.41 H new ATOM 0 HA ILE A 92 6.139 -1.016 0.883 1.00 53.02 H new ATOM 0 HB ILE A 92 6.941 -2.580 -0.905 1.00 33.13 H new ATOM 0 HG12 ILE A 92 6.990 -5.063 0.101 1.00 20.24 H new ATOM 0 HG13 ILE A 92 5.451 -4.551 0.764 1.00 20.24 H new ATOM 0 HG21 ILE A 92 8.695 -3.596 0.527 1.00 52.31 H new ATOM 0 HG22 ILE A 92 8.370 -1.904 0.972 1.00 52.31 H new ATOM 0 HG23 ILE A 92 7.715 -3.227 1.966 1.00 52.31 H new ATOM 0 HD11 ILE A 92 5.149 -5.677 -1.387 1.00 3.31 H new ATOM 0 HD12 ILE A 92 4.654 -3.971 -1.500 1.00 3.31 H new ATOM 0 HD13 ILE A 92 6.217 -4.491 -2.173 1.00 3.31 H new ATOM 1368 N PHE A 93 3.430 -2.467 -0.185 1.00 54.40 N ATOM 1369 CA PHE A 93 2.300 -2.331 -1.089 1.00 4.34 C ATOM 1370 C PHE A 93 1.639 -0.969 -0.928 1.00 71.11 C ATOM 1371 O PHE A 93 1.476 -0.235 -1.903 1.00 23.35 O ATOM 1372 CB PHE A 93 1.278 -3.440 -0.835 1.00 14.24 C ATOM 1373 CG PHE A 93 0.058 -3.358 -1.707 1.00 43.12 C ATOM 1374 CD1 PHE A 93 0.101 -3.786 -3.022 1.00 12.15 C ATOM 1375 CD2 PHE A 93 -1.136 -2.864 -1.205 1.00 25.14 C ATOM 1376 CE1 PHE A 93 -1.022 -3.726 -3.822 1.00 61.35 C ATOM 1377 CE2 PHE A 93 -2.263 -2.800 -2.000 1.00 34.13 C ATOM 1378 CZ PHE A 93 -2.205 -3.232 -3.309 1.00 3.31 C ATOM 0 H PHE A 93 3.310 -3.176 0.538 1.00 54.40 H new ATOM 0 HA PHE A 93 2.671 -2.418 -2.110 1.00 4.34 H new ATOM 0 HB2 PHE A 93 1.759 -4.406 -0.991 1.00 14.24 H new ATOM 0 HB3 PHE A 93 0.969 -3.403 0.209 1.00 14.24 H new ATOM 0 HD1 PHE A 93 1.025 -4.172 -3.427 1.00 12.15 H new ATOM 0 HD2 PHE A 93 -1.185 -2.525 -0.181 1.00 25.14 H new ATOM 0 HE1 PHE A 93 -0.976 -4.065 -4.847 1.00 61.35 H new ATOM 0 HE2 PHE A 93 -3.188 -2.413 -1.598 1.00 34.13 H new ATOM 0 HZ PHE A 93 -3.085 -3.184 -3.933 1.00 3.31 H new ATOM 1388 N GLU A 94 1.293 -0.616 0.305 1.00 64.01 N ATOM 1389 CA GLU A 94 0.602 0.642 0.557 1.00 62.50 C ATOM 1390 C GLU A 94 1.546 1.828 0.406 1.00 54.43 C ATOM 1391 O GLU A 94 1.119 2.930 0.054 1.00 50.12 O ATOM 1392 CB GLU A 94 -0.062 0.653 1.934 1.00 41.11 C ATOM 1393 CG GLU A 94 0.850 0.270 3.086 1.00 25.41 C ATOM 1394 CD GLU A 94 0.319 0.792 4.401 1.00 70.15 C ATOM 1395 OE1 GLU A 94 -0.541 0.128 5.009 1.00 15.51 O ATOM 1396 OE2 GLU A 94 0.734 1.895 4.817 1.00 61.40 O ATOM 0 H GLU A 94 1.477 -1.176 1.137 1.00 64.01 H new ATOM 0 HA GLU A 94 -0.184 0.734 -0.192 1.00 62.50 H new ATOM 0 HB2 GLU A 94 -0.461 1.650 2.121 1.00 41.11 H new ATOM 0 HB3 GLU A 94 -0.910 -0.032 1.918 1.00 41.11 H new ATOM 0 HG2 GLU A 94 0.944 -0.815 3.134 1.00 25.41 H new ATOM 0 HG3 GLU A 94 1.849 0.669 2.910 1.00 25.41 H new ATOM 1403 N LEU A 95 2.826 1.605 0.667 1.00 0.43 N ATOM 1404 CA LEU A 95 3.835 2.626 0.420 1.00 62.31 C ATOM 1405 C LEU A 95 3.946 2.896 -1.076 1.00 53.31 C ATOM 1406 O LEU A 95 3.950 4.048 -1.513 1.00 54.12 O ATOM 1407 CB LEU A 95 5.196 2.196 0.977 1.00 35.13 C ATOM 1408 CG LEU A 95 5.329 2.253 2.500 1.00 13.33 C ATOM 1409 CD1 LEU A 95 6.641 1.626 2.943 1.00 34.24 C ATOM 1410 CD2 LEU A 95 5.244 3.692 2.986 1.00 11.41 C ATOM 0 H LEU A 95 3.190 0.731 1.048 1.00 0.43 H new ATOM 0 HA LEU A 95 3.530 3.540 0.929 1.00 62.31 H new ATOM 0 HB2 LEU A 95 5.398 1.176 0.649 1.00 35.13 H new ATOM 0 HB3 LEU A 95 5.966 2.830 0.538 1.00 35.13 H new ATOM 0 HG LEU A 95 4.507 1.687 2.939 1.00 13.33 H new ATOM 0 HD11 LEU A 95 6.719 1.675 4.029 1.00 34.24 H new ATOM 0 HD12 LEU A 95 6.673 0.584 2.624 1.00 34.24 H new ATOM 0 HD13 LEU A 95 7.473 2.168 2.494 1.00 34.24 H new ATOM 0 HD21 LEU A 95 5.340 3.716 4.071 1.00 11.41 H new ATOM 0 HD22 LEU A 95 6.048 4.276 2.538 1.00 11.41 H new ATOM 0 HD23 LEU A 95 4.283 4.117 2.698 1.00 11.41 H new ATOM 1422 N SER A 96 4.014 1.824 -1.857 1.00 32.32 N ATOM 1423 CA SER A 96 4.130 1.929 -3.304 1.00 2.30 C ATOM 1424 C SER A 96 2.863 2.521 -3.922 1.00 74.30 C ATOM 1425 O SER A 96 2.906 3.050 -5.025 1.00 62.41 O ATOM 1426 CB SER A 96 4.423 0.558 -3.914 1.00 60.24 C ATOM 1427 OG SER A 96 4.803 0.674 -5.275 1.00 4.02 O ATOM 0 H SER A 96 3.990 0.866 -1.508 1.00 32.32 H new ATOM 0 HA SER A 96 4.959 2.602 -3.525 1.00 2.30 H new ATOM 0 HB2 SER A 96 5.219 0.069 -3.352 1.00 60.24 H new ATOM 0 HB3 SER A 96 3.540 -0.076 -3.833 1.00 60.24 H new ATOM 0 HG SER A 96 4.986 -0.217 -5.641 1.00 4.02 H new ATOM 1433 N LEU A 97 1.735 2.421 -3.221 1.00 53.53 N ATOM 1434 CA LEU A 97 0.498 3.054 -3.682 1.00 11.25 C ATOM 1435 C LEU A 97 0.682 4.565 -3.752 1.00 41.24 C ATOM 1436 O LEU A 97 0.398 5.199 -4.769 1.00 2.12 O ATOM 1437 CB LEU A 97 -0.672 2.724 -2.748 1.00 1.24 C ATOM 1438 CG LEU A 97 -1.071 1.249 -2.684 1.00 75.42 C ATOM 1439 CD1 LEU A 97 -2.249 1.055 -1.744 1.00 3.44 C ATOM 1440 CD2 LEU A 97 -1.406 0.727 -4.071 1.00 73.24 C ATOM 0 H LEU A 97 1.650 1.913 -2.340 1.00 53.53 H new ATOM 0 HA LEU A 97 0.269 2.665 -4.674 1.00 11.25 H new ATOM 0 HB2 LEU A 97 -0.415 3.056 -1.742 1.00 1.24 H new ATOM 0 HB3 LEU A 97 -1.540 3.303 -3.063 1.00 1.24 H new ATOM 0 HG LEU A 97 -0.225 0.681 -2.297 1.00 75.42 H new ATOM 0 HD11 LEU A 97 -2.519 -0.001 -1.711 1.00 3.44 H new ATOM 0 HD12 LEU A 97 -1.975 1.391 -0.744 1.00 3.44 H new ATOM 0 HD13 LEU A 97 -3.099 1.636 -2.102 1.00 3.44 H new ATOM 0 HD21 LEU A 97 -1.688 -0.324 -4.006 1.00 73.24 H new ATOM 0 HD22 LEU A 97 -2.236 1.300 -4.485 1.00 73.24 H new ATOM 0 HD23 LEU A 97 -0.535 0.830 -4.719 1.00 73.24 H new ATOM 1452 N ARG A 98 1.180 5.122 -2.661 1.00 21.45 N ATOM 1453 CA ARG A 98 1.430 6.553 -2.564 1.00 13.13 C ATOM 1454 C ARG A 98 2.633 6.954 -3.410 1.00 54.34 C ATOM 1455 O ARG A 98 2.708 8.072 -3.921 1.00 43.12 O ATOM 1456 CB ARG A 98 1.661 6.941 -1.104 1.00 1.13 C ATOM 1457 CG ARG A 98 0.406 6.854 -0.252 1.00 32.11 C ATOM 1458 CD ARG A 98 0.723 6.980 1.229 1.00 42.34 C ATOM 1459 NE ARG A 98 -0.480 7.215 2.028 1.00 33.41 N ATOM 1460 CZ ARG A 98 -0.663 6.775 3.274 1.00 0.55 C ATOM 1461 NH1 ARG A 98 0.252 6.010 3.859 1.00 1.41 N ATOM 1462 NH2 ARG A 98 -1.779 7.081 3.927 1.00 50.02 N ATOM 0 H ARG A 98 1.422 4.599 -1.820 1.00 21.45 H new ATOM 0 HA ARG A 98 0.556 7.083 -2.943 1.00 13.13 H new ATOM 0 HB2 ARG A 98 2.426 6.291 -0.679 1.00 1.13 H new ATOM 0 HB3 ARG A 98 2.049 7.959 -1.063 1.00 1.13 H new ATOM 0 HG2 ARG A 98 -0.288 7.642 -0.544 1.00 32.11 H new ATOM 0 HG3 ARG A 98 -0.095 5.904 -0.438 1.00 32.11 H new ATOM 0 HD2 ARG A 98 1.215 6.070 1.573 1.00 42.34 H new ATOM 0 HD3 ARG A 98 1.425 7.800 1.381 1.00 42.34 H new ATOM 0 HE ARG A 98 -1.233 7.754 1.601 1.00 33.41 H new ATOM 0 HH11 ARG A 98 1.102 5.755 3.355 1.00 1.41 H new ATOM 0 HH12 ARG A 98 0.105 5.677 4.812 1.00 1.41 H new ATOM 0 HH21 ARG A 98 -2.494 7.651 3.476 1.00 50.02 H new ATOM 0 HH22 ARG A 98 -1.921 6.745 4.880 1.00 50.02 H new ATOM 1476 N SER A 99 3.569 6.029 -3.562 1.00 64.40 N ATOM 1477 CA SER A 99 4.829 6.318 -4.233 1.00 4.50 C ATOM 1478 C SER A 99 4.824 5.880 -5.700 1.00 13.24 C ATOM 1479 O SER A 99 5.860 5.912 -6.364 1.00 14.05 O ATOM 1480 CB SER A 99 5.967 5.633 -3.485 1.00 21.05 C ATOM 1481 OG SER A 99 5.916 5.942 -2.099 1.00 45.22 O ATOM 0 H SER A 99 3.480 5.069 -3.229 1.00 64.40 H new ATOM 0 HA SER A 99 4.970 7.399 -4.225 1.00 4.50 H new ATOM 0 HB2 SER A 99 5.903 4.554 -3.624 1.00 21.05 H new ATOM 0 HB3 SER A 99 6.924 5.951 -3.898 1.00 21.05 H new ATOM 0 HG SER A 99 5.253 5.369 -1.660 1.00 45.22 H new ATOM 1487 N LEU A 100 3.669 5.474 -6.211 1.00 22.41 N ATOM 1488 CA LEU A 100 3.568 5.099 -7.619 1.00 22.22 C ATOM 1489 C LEU A 100 3.279 6.329 -8.465 1.00 25.43 C ATOM 1490 O LEU A 100 3.610 6.384 -9.648 1.00 3.51 O ATOM 1491 CB LEU A 100 2.480 4.047 -7.839 1.00 64.41 C ATOM 1492 CG LEU A 100 2.463 3.421 -9.238 1.00 25.24 C ATOM 1493 CD1 LEU A 100 3.771 2.698 -9.520 1.00 51.12 C ATOM 1494 CD2 LEU A 100 1.289 2.469 -9.381 1.00 55.01 C ATOM 0 H LEU A 100 2.800 5.396 -5.683 1.00 22.41 H new ATOM 0 HA LEU A 100 4.522 4.666 -7.921 1.00 22.22 H new ATOM 0 HB2 LEU A 100 2.608 3.253 -7.103 1.00 64.41 H new ATOM 0 HB3 LEU A 100 1.509 4.504 -7.649 1.00 64.41 H new ATOM 0 HG LEU A 100 2.350 4.222 -9.969 1.00 25.24 H new ATOM 0 HD11 LEU A 100 3.737 2.261 -10.518 1.00 51.12 H new ATOM 0 HD12 LEU A 100 4.598 3.406 -9.461 1.00 51.12 H new ATOM 0 HD13 LEU A 100 3.916 1.908 -8.783 1.00 51.12 H new ATOM 0 HD21 LEU A 100 1.293 2.034 -10.380 1.00 55.01 H new ATOM 0 HD22 LEU A 100 1.372 1.675 -8.639 1.00 55.01 H new ATOM 0 HD23 LEU A 100 0.358 3.014 -9.226 1.00 55.01 H new ATOM 1506 N ALA A 101 2.639 7.310 -7.851 1.00 34.21 N ATOM 1507 CA ALA A 101 2.411 8.586 -8.505 1.00 2.14 C ATOM 1508 C ALA A 101 3.600 9.502 -8.254 1.00 54.40 C ATOM 1509 O ALA A 101 3.840 10.457 -8.995 1.00 3.12 O ATOM 1510 CB ALA A 101 1.125 9.226 -8.003 1.00 21.24 C ATOM 0 H ALA A 101 2.269 7.247 -6.903 1.00 34.21 H new ATOM 0 HA ALA A 101 2.305 8.423 -9.578 1.00 2.14 H new ATOM 0 HB1 ALA A 101 0.973 10.181 -8.506 1.00 21.24 H new ATOM 0 HB2 ALA A 101 0.283 8.567 -8.215 1.00 21.24 H new ATOM 0 HB3 ALA A 101 1.196 9.389 -6.928 1.00 21.24 H new ATOM 1516 N LEU A 102 4.349 9.178 -7.209 1.00 43.54 N ATOM 1517 CA LEU A 102 5.512 9.954 -6.814 1.00 44.34 C ATOM 1518 C LEU A 102 6.713 9.033 -6.635 1.00 1.11 C ATOM 1519 O LEU A 102 6.999 8.575 -5.526 1.00 32.24 O ATOM 1520 CB LEU A 102 5.237 10.705 -5.507 1.00 25.03 C ATOM 1521 CG LEU A 102 4.043 11.661 -5.530 1.00 3.21 C ATOM 1522 CD1 LEU A 102 3.824 12.260 -4.152 1.00 24.50 C ATOM 1523 CD2 LEU A 102 4.259 12.759 -6.558 1.00 42.13 C ATOM 0 H LEU A 102 4.166 8.371 -6.613 1.00 43.54 H new ATOM 0 HA LEU A 102 5.727 10.681 -7.597 1.00 44.34 H new ATOM 0 HB2 LEU A 102 5.078 9.973 -4.715 1.00 25.03 H new ATOM 0 HB3 LEU A 102 6.129 11.273 -5.241 1.00 25.03 H new ATOM 0 HG LEU A 102 3.153 11.098 -5.811 1.00 3.21 H new ATOM 0 HD11 LEU A 102 2.972 12.939 -4.182 1.00 24.50 H new ATOM 0 HD12 LEU A 102 3.628 11.462 -3.435 1.00 24.50 H new ATOM 0 HD13 LEU A 102 4.715 12.810 -3.848 1.00 24.50 H new ATOM 0 HD21 LEU A 102 3.400 13.429 -6.560 1.00 42.13 H new ATOM 0 HD22 LEU A 102 5.158 13.322 -6.306 1.00 42.13 H new ATOM 0 HD23 LEU A 102 4.375 12.314 -7.546 1.00 42.13 H new ATOM 1535 N GLU A 103 7.413 8.762 -7.730 1.00 63.21 N ATOM 1536 CA GLU A 103 8.527 7.819 -7.714 1.00 71.13 C ATOM 1537 C GLU A 103 9.793 8.429 -7.123 1.00 63.42 C ATOM 1538 O GLU A 103 10.867 7.834 -7.202 1.00 33.31 O ATOM 1539 CB GLU A 103 8.808 7.271 -9.112 1.00 22.42 C ATOM 1540 CG GLU A 103 7.764 6.274 -9.583 1.00 54.24 C ATOM 1541 CD GLU A 103 8.173 5.564 -10.854 1.00 61.41 C ATOM 1542 OE1 GLU A 103 9.023 4.651 -10.784 1.00 64.41 O ATOM 1543 OE2 GLU A 103 7.645 5.914 -11.931 1.00 25.44 O ATOM 0 H GLU A 103 7.230 9.182 -8.641 1.00 63.21 H new ATOM 0 HA GLU A 103 8.226 6.994 -7.068 1.00 71.13 H new ATOM 0 HB2 GLU A 103 8.854 8.100 -9.818 1.00 22.42 H new ATOM 0 HB3 GLU A 103 9.787 6.792 -9.118 1.00 22.42 H new ATOM 0 HG2 GLU A 103 7.590 5.537 -8.799 1.00 54.24 H new ATOM 0 HG3 GLU A 103 6.820 6.793 -9.748 1.00 54.24 H new ATOM 1550 N HIS A 104 9.671 9.606 -6.519 1.00 61.10 N ATOM 1551 CA HIS A 104 10.770 10.152 -5.730 1.00 3.12 C ATOM 1552 C HIS A 104 10.868 9.388 -4.413 1.00 61.31 C ATOM 1553 O HIS A 104 11.848 9.503 -3.681 1.00 51.22 O ATOM 1554 CB HIS A 104 10.598 11.653 -5.467 1.00 25.01 C ATOM 1555 CG HIS A 104 10.973 12.523 -6.632 1.00 61.43 C ATOM 1556 ND1 HIS A 104 12.150 12.381 -7.334 1.00 0.54 N ATOM 1557 CD2 HIS A 104 10.322 13.561 -7.207 1.00 10.25 C ATOM 1558 CE1 HIS A 104 12.208 13.294 -8.284 1.00 34.41 C ATOM 1559 NE2 HIS A 104 11.111 14.025 -8.231 1.00 3.04 N ATOM 0 H HIS A 104 8.837 10.192 -6.559 1.00 61.10 H new ATOM 0 HA HIS A 104 11.692 10.033 -6.299 1.00 3.12 H new ATOM 0 HB2 HIS A 104 9.559 11.848 -5.200 1.00 25.01 H new ATOM 0 HB3 HIS A 104 11.206 11.933 -4.607 1.00 25.01 H new ATOM 0 HD2 HIS A 104 9.359 13.953 -6.914 1.00 10.25 H new ATOM 0 HE1 HIS A 104 13.018 13.422 -8.987 1.00 34.41 H new ATOM 0 HE2 HIS A 104 10.886 14.805 -8.848 1.00 3.04 H new ATOM 1568 N HIS A 105 9.840 8.598 -4.126 1.00 32.24 N ATOM 1569 CA HIS A 105 9.858 7.702 -2.979 1.00 11.22 C ATOM 1570 C HIS A 105 9.992 6.258 -3.449 1.00 65.22 C ATOM 1571 O HIS A 105 9.040 5.487 -3.398 1.00 0.34 O ATOM 1572 CB HIS A 105 8.594 7.849 -2.124 1.00 1.15 C ATOM 1573 CG HIS A 105 8.443 9.181 -1.459 1.00 24.12 C ATOM 1574 ND1 HIS A 105 7.298 9.942 -1.555 1.00 10.15 N ATOM 1575 CD2 HIS A 105 9.287 9.878 -0.662 1.00 13.34 C ATOM 1576 CE1 HIS A 105 7.443 11.046 -0.849 1.00 15.41 C ATOM 1577 NE2 HIS A 105 8.639 11.031 -0.295 1.00 13.04 N ATOM 0 H HIS A 105 8.981 8.561 -4.675 1.00 32.24 H new ATOM 0 HA HIS A 105 10.715 7.972 -2.362 1.00 11.22 H new ATOM 0 HB2 HIS A 105 7.722 7.671 -2.754 1.00 1.15 H new ATOM 0 HB3 HIS A 105 8.597 7.073 -1.358 1.00 1.15 H new ATOM 0 HD2 HIS A 105 10.284 9.582 -0.370 1.00 13.34 H new ATOM 0 HE1 HIS A 105 6.707 11.829 -0.743 1.00 15.41 H new ATOM 0 HE2 HIS A 105 9.021 11.759 0.309 1.00 13.04 H new ATOM 1586 N HIS A 106 11.166 5.907 -3.945 1.00 60.31 N ATOM 1587 CA HIS A 106 11.432 4.540 -4.371 1.00 74.32 C ATOM 1588 C HIS A 106 12.917 4.241 -4.228 1.00 15.42 C ATOM 1589 O HIS A 106 13.317 3.103 -3.990 1.00 14.42 O ATOM 1590 CB HIS A 106 10.972 4.321 -5.819 1.00 25.42 C ATOM 1591 CG HIS A 106 10.845 2.876 -6.201 1.00 30.42 C ATOM 1592 ND1 HIS A 106 11.084 2.410 -7.475 1.00 63.23 N ATOM 1593 CD2 HIS A 106 10.482 1.795 -5.472 1.00 2.24 C ATOM 1594 CE1 HIS A 106 10.873 1.107 -7.514 1.00 32.15 C ATOM 1595 NE2 HIS A 106 10.507 0.706 -6.310 1.00 13.15 N ATOM 0 H HIS A 106 11.951 6.548 -4.063 1.00 60.31 H new ATOM 0 HA HIS A 106 10.869 3.856 -3.736 1.00 74.32 H new ATOM 0 HB2 HIS A 106 10.009 4.811 -5.963 1.00 25.42 H new ATOM 0 HB3 HIS A 106 11.680 4.805 -6.492 1.00 25.42 H new ATOM 0 HD2 HIS A 106 10.221 1.789 -4.424 1.00 2.24 H new ATOM 0 HE1 HIS A 106 10.981 0.476 -8.384 1.00 32.15 H new ATOM 0 HE2 HIS A 106 10.280 -0.253 -6.046 1.00 13.15 H new ATOM 1604 N HIS A 107 13.731 5.274 -4.395 1.00 64.34 N ATOM 1605 CA HIS A 107 15.155 5.184 -4.109 1.00 13.45 C ATOM 1606 C HIS A 107 15.428 5.657 -2.691 1.00 22.52 C ATOM 1607 O HIS A 107 14.787 6.593 -2.206 1.00 22.52 O ATOM 1608 CB HIS A 107 15.976 6.006 -5.105 1.00 73.52 C ATOM 1609 CG HIS A 107 16.160 5.333 -6.430 1.00 74.45 C ATOM 1610 ND1 HIS A 107 17.194 4.459 -6.684 1.00 42.30 N ATOM 1611 CD2 HIS A 107 15.443 5.407 -7.575 1.00 52.34 C ATOM 1612 CE1 HIS A 107 17.110 4.029 -7.928 1.00 44.05 C ATOM 1613 NE2 HIS A 107 16.054 4.587 -8.491 1.00 54.42 N ATOM 0 H HIS A 107 13.427 6.189 -4.729 1.00 64.34 H new ATOM 0 HA HIS A 107 15.456 4.141 -4.207 1.00 13.45 H new ATOM 0 HB2 HIS A 107 15.487 6.968 -5.260 1.00 73.52 H new ATOM 0 HB3 HIS A 107 16.955 6.213 -4.673 1.00 73.52 H new ATOM 0 HD2 HIS A 107 14.556 6.000 -7.738 1.00 52.34 H new ATOM 0 HE1 HIS A 107 17.789 3.338 -8.405 1.00 44.05 H new ATOM 0 HE2 HIS A 107 15.743 4.434 -9.450 1.00 54.42 H new ATOM 1622 N HIS A 108 16.386 5.011 -2.045 1.00 1.43 N ATOM 1623 CA HIS A 108 16.699 5.268 -0.640 1.00 74.14 C ATOM 1624 C HIS A 108 17.837 4.352 -0.213 1.00 25.52 C ATOM 1625 O HIS A 108 18.580 4.641 0.723 1.00 61.20 O ATOM 1626 CB HIS A 108 15.467 5.022 0.244 1.00 12.21 C ATOM 1627 CG HIS A 108 15.652 5.411 1.680 1.00 23.44 C ATOM 1628 ND1 HIS A 108 15.980 4.513 2.674 1.00 34.42 N ATOM 1629 CD2 HIS A 108 15.533 6.614 2.290 1.00 3.44 C ATOM 1630 CE1 HIS A 108 16.049 5.146 3.829 1.00 24.31 C ATOM 1631 NE2 HIS A 108 15.786 6.420 3.624 1.00 61.01 N ATOM 0 H HIS A 108 16.970 4.294 -2.475 1.00 1.43 H new ATOM 0 HA HIS A 108 16.997 6.310 -0.523 1.00 74.14 H new ATOM 0 HB2 HIS A 108 14.623 5.578 -0.165 1.00 12.21 H new ATOM 0 HB3 HIS A 108 15.205 3.965 0.197 1.00 12.21 H new ATOM 0 HD2 HIS A 108 15.285 7.552 1.815 1.00 3.44 H new ATOM 0 HE1 HIS A 108 16.282 4.695 4.782 1.00 24.31 H new ATOM 0 HE2 HIS A 108 15.773 7.145 4.341 1.00 61.01 H new ATOM 1640 N HIS A 109 17.948 3.241 -0.924 1.00 72.51 N ATOM 1641 CA HIS A 109 18.991 2.260 -0.685 1.00 32.32 C ATOM 1642 C HIS A 109 19.895 2.172 -1.906 1.00 44.21 C ATOM 1643 O HIS A 109 21.032 2.678 -1.847 1.00 38.73 O ATOM 1644 CB HIS A 109 18.386 0.883 -0.348 1.00 23.24 C ATOM 1645 CG HIS A 109 17.311 0.420 -1.295 1.00 71.13 C ATOM 1646 ND1 HIS A 109 17.528 -0.495 -2.300 1.00 41.13 N ATOM 1647 CD2 HIS A 109 16.001 0.750 -1.371 1.00 3.53 C ATOM 1648 CE1 HIS A 109 16.402 -0.705 -2.953 1.00 44.00 C ATOM 1649 NE2 HIS A 109 15.455 0.037 -2.409 1.00 55.43 N ATOM 1650 OXT HIS A 109 19.441 1.656 -2.944 1.00 38.73 O ATOM 0 H HIS A 109 17.315 2.995 -1.685 1.00 72.51 H new ATOM 0 HA HIS A 109 19.584 2.576 0.173 1.00 32.32 H new ATOM 0 HB2 HIS A 109 19.186 0.143 -0.338 1.00 23.24 H new ATOM 0 HB3 HIS A 109 17.972 0.920 0.660 1.00 23.24 H new ATOM 0 HD2 HIS A 109 15.480 1.447 -0.732 1.00 3.53 H new ATOM 0 HE1 HIS A 109 16.275 -1.372 -3.793 1.00 44.00 H new ATOM 0 HE2 HIS A 109 14.481 0.074 -2.710 1.00 55.43 H new TER 1659 HIS A 109