USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 927 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 85 TYR OH : rot 47:sc= 0.632 USER MOD Set 1.2: A 97 THR OG1 : rot 69:sc= 0.98 USER MOD Set 2.1: A 59 LYS NZ :NH3+ -109:sc= 0.378 (180deg=0) USER MOD Set 2.2: A 69 TYR OH : rot 174:sc= 0.637 USER MOD Set 3.1: A 47 HIS : no HD1:sc= 0.432 K(o=1.1,f=-2.4) USER MOD Set 3.2: A 48 GLN :FLIP amide:sc= 0.674 F(o=0.14,f=1.1) USER MOD Set 4.1: A 18 MET CE :methyl -125:sc= -0.902 (180deg=-1.23) USER MOD Set 4.2: A 60 SER OG : rot 67:sc= 0.159 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0446 (180deg=-0.343) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.00726 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 5 HIS : no HD1:sc=-0.00532 X(o=-0.0053,f=-0.0089) USER MOD Single : A 6 HIS : no HD1:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.027) USER MOD Single : A 11 MET CE :methyl 167:sc= -0.0363 (180deg=-0.257) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.314 K(o=0.31,f=-3.2!) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.0348 (180deg=-0.231) USER MOD Single : A 26 THR OG1 : rot 77:sc= 0.542 USER MOD Single : A 29 TYR OH : rot 14:sc= 1.08 USER MOD Single : A 33 SER OG : rot 170:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc=-0.00202 X(o=-0.002,f=-0.21) USER MOD Single : A 56 CYS SG : rot 177:sc= -1.56 USER MOD Single : A 58 THR OG1 : rot 82:sc= 0.103 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00703 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00587 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -2.11! K(o=-2.1!,f=-3) USER MOD Single : A 76 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.057) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.23) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= 0.0301 (180deg=-0.0422) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.389 46.308 6.417 1.00 41.22 N ATOM 2 CA MET A 1 -13.105 45.124 5.580 1.00 43.02 C ATOM 3 C MET A 1 -11.740 45.276 4.899 1.00 32.22 C ATOM 4 O MET A 1 -11.424 46.347 4.361 1.00 63.24 O ATOM 5 CB MET A 1 -14.249 44.899 4.546 1.00 32.14 C ATOM 6 CG MET A 1 -13.988 43.779 3.513 1.00 3.12 C ATOM 7 SD MET A 1 -15.509 43.099 2.817 1.00 15.12 S ATOM 8 CE MET A 1 -16.164 42.188 4.223 1.00 75.21 C ATOM 0 H1 MET A 1 -14.374 46.609 6.270 1.00 41.22 H new ATOM 0 H2 MET A 1 -13.246 46.067 7.419 1.00 41.22 H new ATOM 0 H3 MET A 1 -12.747 47.082 6.152 1.00 41.22 H new ATOM 0 HA MET A 1 -13.063 44.238 6.214 1.00 43.02 H new ATOM 0 HB2 MET A 1 -15.166 44.666 5.087 1.00 32.14 H new ATOM 0 HB3 MET A 1 -14.423 45.832 4.011 1.00 32.14 H new ATOM 0 HG2 MET A 1 -13.369 44.172 2.707 1.00 3.12 H new ATOM 0 HG3 MET A 1 -13.422 42.978 3.988 1.00 3.12 H new ATOM 0 HE1 MET A 1 -16.880 41.444 3.873 1.00 75.21 H new ATOM 0 HE2 MET A 1 -15.348 41.688 4.745 1.00 75.21 H new ATOM 0 HE3 MET A 1 -16.662 42.878 4.904 1.00 75.21 H new ATOM 20 N GLY A 2 -10.942 44.192 4.937 1.00 40.35 N ATOM 21 CA GLY A 2 -9.588 44.187 4.396 1.00 52.00 C ATOM 22 C GLY A 2 -9.544 44.066 2.874 1.00 15.43 C ATOM 23 O GLY A 2 -10.571 43.838 2.225 1.00 11.14 O ATOM 0 H GLY A 2 -11.226 43.301 5.345 1.00 40.35 H new ATOM 0 HA2 GLY A 2 -9.082 45.105 4.695 1.00 52.00 H new ATOM 0 HA3 GLY A 2 -9.032 43.359 4.835 1.00 52.00 H new ATOM 27 N HIS A 3 -8.340 44.235 2.305 1.00 61.43 N ATOM 28 CA HIS A 3 -8.099 44.133 0.845 1.00 55.50 C ATOM 29 C HIS A 3 -7.260 42.885 0.541 1.00 73.45 C ATOM 30 O HIS A 3 -6.599 42.339 1.440 1.00 4.10 O ATOM 31 CB HIS A 3 -7.390 45.410 0.321 1.00 55.43 C ATOM 32 CG HIS A 3 -8.142 46.689 0.605 1.00 10.21 C ATOM 33 ND1 HIS A 3 -7.549 47.816 1.139 1.00 41.04 N ATOM 34 CD2 HIS A 3 -9.449 47.010 0.426 1.00 21.21 C ATOM 35 CE1 HIS A 3 -8.454 48.765 1.275 1.00 24.04 C ATOM 36 NE2 HIS A 3 -9.608 48.298 0.849 1.00 4.23 N ATOM 0 H HIS A 3 -7.499 44.447 2.841 1.00 61.43 H new ATOM 0 HA HIS A 3 -9.058 44.044 0.334 1.00 55.50 H new ATOM 0 HB2 HIS A 3 -6.400 45.475 0.772 1.00 55.43 H new ATOM 0 HB3 HIS A 3 -7.245 45.317 -0.755 1.00 55.43 H new ATOM 0 HD2 HIS A 3 -10.218 46.367 0.024 1.00 21.21 H new ATOM 0 HE1 HIS A 3 -8.278 49.755 1.668 1.00 24.04 H new ATOM 0 HE2 HIS A 3 -10.485 48.818 0.837 1.00 4.23 H new ATOM 45 N HIS A 4 -7.273 42.441 -0.733 1.00 23.02 N ATOM 46 CA HIS A 4 -6.570 41.220 -1.168 1.00 4.54 C ATOM 47 C HIS A 4 -5.082 41.543 -1.466 1.00 33.31 C ATOM 48 O HIS A 4 -4.669 41.619 -2.632 1.00 60.21 O ATOM 49 CB HIS A 4 -7.286 40.589 -2.410 1.00 63.04 C ATOM 50 CG HIS A 4 -6.957 39.132 -2.677 1.00 33.51 C ATOM 51 ND1 HIS A 4 -7.919 38.142 -2.704 1.00 43.43 N ATOM 52 CD2 HIS A 4 -5.779 38.500 -2.922 1.00 52.33 C ATOM 53 CE1 HIS A 4 -7.352 36.981 -2.957 1.00 1.32 C ATOM 54 NE2 HIS A 4 -6.057 37.168 -3.089 1.00 72.14 N ATOM 0 H HIS A 4 -7.770 42.918 -1.485 1.00 23.02 H new ATOM 0 HA HIS A 4 -6.599 40.483 -0.365 1.00 4.54 H new ATOM 0 HB2 HIS A 4 -8.363 40.682 -2.274 1.00 63.04 H new ATOM 0 HB3 HIS A 4 -7.025 41.171 -3.294 1.00 63.04 H new ATOM 0 HD2 HIS A 4 -4.804 38.962 -2.975 1.00 52.33 H new ATOM 0 HE1 HIS A 4 -7.864 36.034 -3.042 1.00 1.32 H new ATOM 0 HE2 HIS A 4 -5.370 36.440 -3.284 1.00 72.14 H new ATOM 63 N HIS A 5 -4.293 41.793 -0.399 1.00 41.11 N ATOM 64 CA HIS A 5 -2.816 41.899 -0.496 1.00 2.31 C ATOM 65 C HIS A 5 -2.199 40.544 -0.095 1.00 22.42 C ATOM 66 O HIS A 5 -2.801 39.799 0.690 1.00 52.33 O ATOM 67 CB HIS A 5 -2.265 43.100 0.335 1.00 3.34 C ATOM 68 CG HIS A 5 -2.646 43.144 1.800 1.00 53.41 C ATOM 69 ND1 HIS A 5 -3.487 44.107 2.322 1.00 54.35 N ATOM 70 CD2 HIS A 5 -2.250 42.392 2.862 1.00 4.32 C ATOM 71 CE1 HIS A 5 -3.584 43.950 3.625 1.00 20.32 C ATOM 72 NE2 HIS A 5 -2.848 42.916 3.979 1.00 60.01 N ATOM 0 H HIS A 5 -4.654 41.926 0.546 1.00 41.11 H new ATOM 0 HA HIS A 5 -2.526 42.116 -1.524 1.00 2.31 H new ATOM 0 HB2 HIS A 5 -1.177 43.091 0.266 1.00 3.34 H new ATOM 0 HB3 HIS A 5 -2.606 44.023 -0.133 1.00 3.34 H new ATOM 0 HD2 HIS A 5 -1.587 41.540 2.831 1.00 4.32 H new ATOM 0 HE1 HIS A 5 -4.169 44.566 4.292 1.00 20.32 H new ATOM 0 HE2 HIS A 5 -2.741 42.563 4.930 1.00 60.01 H new ATOM 81 N HIS A 6 -0.995 40.247 -0.630 1.00 32.24 N ATOM 82 CA HIS A 6 -0.494 38.857 -0.760 1.00 60.12 C ATOM 83 C HIS A 6 -0.226 38.166 0.598 1.00 24.12 C ATOM 84 O HIS A 6 0.219 38.793 1.563 1.00 74.12 O ATOM 85 CB HIS A 6 0.767 38.789 -1.667 1.00 2.34 C ATOM 86 CG HIS A 6 0.977 37.427 -2.282 1.00 42.05 C ATOM 87 ND1 HIS A 6 2.156 36.718 -2.220 1.00 55.14 N ATOM 88 CD2 HIS A 6 0.116 36.644 -2.972 1.00 62.33 C ATOM 89 CE1 HIS A 6 2.010 35.566 -2.845 1.00 12.45 C ATOM 90 NE2 HIS A 6 0.780 35.501 -3.307 1.00 61.25 N ATOM 0 H HIS A 6 -0.348 40.953 -0.981 1.00 32.24 H new ATOM 0 HA HIS A 6 -1.300 38.300 -1.237 1.00 60.12 H new ATOM 0 HB2 HIS A 6 0.677 39.530 -2.461 1.00 2.34 H new ATOM 0 HB3 HIS A 6 1.645 39.056 -1.079 1.00 2.34 H new ATOM 0 HD2 HIS A 6 -0.910 36.881 -3.213 1.00 62.33 H new ATOM 0 HE1 HIS A 6 2.770 34.807 -2.958 1.00 12.45 H new ATOM 0 HE2 HIS A 6 0.386 34.720 -3.832 1.00 61.25 H new ATOM 99 N HIS A 7 -0.495 36.846 0.621 1.00 64.55 N ATOM 100 CA HIS A 7 -0.459 36.004 1.827 1.00 60.21 C ATOM 101 C HIS A 7 -0.152 34.537 1.432 1.00 35.50 C ATOM 102 O HIS A 7 -0.770 34.002 0.512 1.00 74.41 O ATOM 103 CB HIS A 7 -1.830 36.144 2.569 1.00 24.41 C ATOM 104 CG HIS A 7 -2.151 35.075 3.584 1.00 24.42 C ATOM 105 ND1 HIS A 7 -3.107 34.111 3.354 1.00 4.52 N ATOM 106 CD2 HIS A 7 -1.685 34.842 4.835 1.00 22.44 C ATOM 107 CE1 HIS A 7 -3.223 33.340 4.410 1.00 60.31 C ATOM 108 NE2 HIS A 7 -2.370 33.757 5.324 1.00 52.24 N ATOM 0 H HIS A 7 -0.749 36.326 -0.219 1.00 64.55 H new ATOM 0 HA HIS A 7 0.333 36.325 2.504 1.00 60.21 H new ATOM 0 HB2 HIS A 7 -1.850 37.111 3.072 1.00 24.41 H new ATOM 0 HB3 HIS A 7 -2.624 36.157 1.822 1.00 24.41 H new ATOM 0 HD2 HIS A 7 -0.920 35.404 5.350 1.00 22.44 H new ATOM 0 HE1 HIS A 7 -3.902 32.506 4.512 1.00 60.31 H new ATOM 0 HE2 HIS A 7 -2.240 33.341 6.246 1.00 52.24 H new ATOM 117 N HIS A 8 0.840 33.919 2.117 1.00 43.33 N ATOM 118 CA HIS A 8 1.179 32.473 1.973 1.00 43.52 C ATOM 119 C HIS A 8 0.630 31.687 3.188 1.00 70.52 C ATOM 120 O HIS A 8 -0.089 32.249 4.026 1.00 44.52 O ATOM 121 CB HIS A 8 2.724 32.267 1.897 1.00 23.53 C ATOM 122 CG HIS A 8 3.406 32.783 0.663 1.00 51.50 C ATOM 123 ND1 HIS A 8 4.047 31.953 -0.229 1.00 62.02 N ATOM 124 CD2 HIS A 8 3.643 34.046 0.225 1.00 50.41 C ATOM 125 CE1 HIS A 8 4.647 32.673 -1.148 1.00 33.54 C ATOM 126 NE2 HIS A 8 4.416 33.945 -0.903 1.00 71.22 N ATOM 0 H HIS A 8 1.433 34.407 2.789 1.00 43.33 H new ATOM 0 HA HIS A 8 0.727 32.108 1.051 1.00 43.52 H new ATOM 0 HB2 HIS A 8 3.176 32.749 2.764 1.00 23.53 H new ATOM 0 HB3 HIS A 8 2.931 31.200 1.981 1.00 23.53 H new ATOM 0 HD2 HIS A 8 3.289 34.959 0.680 1.00 50.41 H new ATOM 0 HE1 HIS A 8 5.233 32.286 -1.969 1.00 33.54 H new ATOM 0 HE2 HIS A 8 4.756 34.728 -1.461 1.00 71.22 H new ATOM 135 N SER A 9 0.980 30.381 3.285 1.00 3.13 N ATOM 136 CA SER A 9 0.702 29.564 4.485 1.00 44.22 C ATOM 137 C SER A 9 1.821 28.526 4.695 1.00 64.51 C ATOM 138 O SER A 9 2.194 27.796 3.769 1.00 32.24 O ATOM 139 CB SER A 9 -0.682 28.874 4.377 1.00 12.41 C ATOM 140 OG SER A 9 -0.982 28.131 5.552 1.00 44.14 O ATOM 0 H SER A 9 1.457 29.872 2.541 1.00 3.13 H new ATOM 0 HA SER A 9 0.677 30.223 5.353 1.00 44.22 H new ATOM 0 HB2 SER A 9 -1.454 29.626 4.213 1.00 12.41 H new ATOM 0 HB3 SER A 9 -0.694 28.211 3.512 1.00 12.41 H new ATOM 0 HG SER A 9 -1.861 27.708 5.456 1.00 44.14 H new ATOM 146 N HIS A 10 2.336 28.465 5.937 1.00 53.53 N ATOM 147 CA HIS A 10 3.360 27.488 6.371 1.00 25.33 C ATOM 148 C HIS A 10 2.660 26.246 6.989 1.00 33.43 C ATOM 149 O HIS A 10 3.132 25.653 7.969 1.00 42.44 O ATOM 150 CB HIS A 10 4.334 28.176 7.377 1.00 53.02 C ATOM 151 CG HIS A 10 5.617 27.413 7.636 1.00 2.03 C ATOM 152 ND1 HIS A 10 5.963 26.912 8.874 1.00 71.04 N ATOM 153 CD2 HIS A 10 6.634 27.079 6.803 1.00 31.10 C ATOM 154 CE1 HIS A 10 7.130 26.304 8.792 1.00 5.12 C ATOM 155 NE2 HIS A 10 7.558 26.393 7.548 1.00 71.12 N ATOM 0 H HIS A 10 2.050 29.102 6.681 1.00 53.53 H new ATOM 0 HA HIS A 10 3.948 27.145 5.520 1.00 25.33 H new ATOM 0 HB2 HIS A 10 4.586 29.167 6.998 1.00 53.02 H new ATOM 0 HB3 HIS A 10 3.815 28.320 8.325 1.00 53.02 H new ATOM 0 HD2 HIS A 10 6.703 27.310 5.750 1.00 31.10 H new ATOM 0 HE1 HIS A 10 7.647 25.816 9.605 1.00 5.12 H new ATOM 0 HE2 HIS A 10 8.436 26.012 7.196 1.00 71.12 H new ATOM 164 N MET A 11 1.548 25.826 6.355 1.00 23.42 N ATOM 165 CA MET A 11 0.664 24.776 6.876 1.00 51.50 C ATOM 166 C MET A 11 0.098 23.938 5.706 1.00 64.41 C ATOM 167 O MET A 11 -0.923 24.308 5.111 1.00 52.10 O ATOM 168 CB MET A 11 -0.458 25.430 7.747 1.00 71.33 C ATOM 169 CG MET A 11 -1.387 24.430 8.448 1.00 11.14 C ATOM 170 SD MET A 11 -0.503 23.285 9.544 1.00 5.14 S ATOM 171 CE MET A 11 0.257 24.400 10.731 1.00 13.13 C ATOM 0 H MET A 11 1.240 26.211 5.462 1.00 23.42 H new ATOM 0 HA MET A 11 1.220 24.092 7.517 1.00 51.50 H new ATOM 0 HB2 MET A 11 0.009 26.063 8.502 1.00 71.33 H new ATOM 0 HB3 MET A 11 -1.059 26.081 7.112 1.00 71.33 H new ATOM 0 HG2 MET A 11 -2.130 24.978 9.028 1.00 11.14 H new ATOM 0 HG3 MET A 11 -1.929 23.858 7.695 1.00 11.14 H new ATOM 0 HE1 MET A 11 0.630 23.828 11.580 1.00 13.13 H new ATOM 0 HE2 MET A 11 1.085 24.927 10.257 1.00 13.13 H new ATOM 0 HE3 MET A 11 -0.482 25.122 11.077 1.00 13.13 H new ATOM 181 N PRO A 12 0.817 22.837 5.291 1.00 64.21 N ATOM 182 CA PRO A 12 0.284 21.861 4.317 1.00 33.24 C ATOM 183 C PRO A 12 -0.757 20.898 4.953 1.00 13.41 C ATOM 184 O PRO A 12 -1.809 20.659 4.349 1.00 51.43 O ATOM 185 CB PRO A 12 1.555 21.102 3.839 1.00 51.44 C ATOM 186 CG PRO A 12 2.515 21.179 4.992 1.00 52.23 C ATOM 187 CD PRO A 12 2.224 22.507 5.691 1.00 34.43 C ATOM 0 HA PRO A 12 -0.260 22.340 3.503 1.00 33.24 H new ATOM 0 HB2 PRO A 12 1.324 20.067 3.587 1.00 51.44 H new ATOM 0 HB3 PRO A 12 1.976 21.562 2.945 1.00 51.44 H new ATOM 0 HG2 PRO A 12 2.375 20.340 5.674 1.00 52.23 H new ATOM 0 HG3 PRO A 12 3.547 21.139 4.644 1.00 52.23 H new ATOM 0 HD2 PRO A 12 2.319 22.416 6.773 1.00 34.43 H new ATOM 0 HD3 PRO A 12 2.920 23.284 5.374 1.00 34.43 H new ATOM 195 N LYS A 13 -0.448 20.404 6.192 1.00 41.12 N ATOM 196 CA LYS A 13 -1.212 19.358 6.935 1.00 12.22 C ATOM 197 C LYS A 13 -1.157 17.980 6.224 1.00 42.52 C ATOM 198 O LYS A 13 -0.595 17.026 6.765 1.00 35.02 O ATOM 199 CB LYS A 13 -2.694 19.771 7.220 1.00 60.14 C ATOM 200 CG LYS A 13 -2.875 21.137 7.933 1.00 32.12 C ATOM 201 CD LYS A 13 -4.355 21.443 8.311 1.00 1.15 C ATOM 202 CE LYS A 13 -4.832 20.712 9.582 1.00 70.03 C ATOM 203 NZ LYS A 13 -4.265 21.307 10.823 1.00 22.32 N ATOM 0 H LYS A 13 0.364 20.735 6.713 1.00 41.12 H new ATOM 0 HA LYS A 13 -0.713 19.263 7.899 1.00 12.22 H new ATOM 0 HB2 LYS A 13 -3.235 19.799 6.274 1.00 60.14 H new ATOM 0 HB3 LYS A 13 -3.159 18.997 7.830 1.00 60.14 H new ATOM 0 HG2 LYS A 13 -2.266 21.151 8.837 1.00 32.12 H new ATOM 0 HG3 LYS A 13 -2.501 21.930 7.285 1.00 32.12 H new ATOM 0 HD2 LYS A 13 -4.470 22.517 8.455 1.00 1.15 H new ATOM 0 HD3 LYS A 13 -4.999 21.163 7.478 1.00 1.15 H new ATOM 0 HE2 LYS A 13 -5.920 20.745 9.630 1.00 70.03 H new ATOM 0 HE3 LYS A 13 -4.547 19.662 9.523 1.00 70.03 H new ATOM 0 HZ1 LYS A 13 -4.614 20.782 11.650 1.00 22.32 H new ATOM 0 HZ2 LYS A 13 -3.227 21.253 10.791 1.00 22.32 H new ATOM 0 HZ3 LYS A 13 -4.557 22.302 10.896 1.00 22.32 H new ATOM 217 N ALA A 14 -1.753 17.905 5.012 1.00 41.40 N ATOM 218 CA ALA A 14 -1.812 16.692 4.167 1.00 30.41 C ATOM 219 C ALA A 14 -0.452 16.003 4.004 1.00 73.12 C ATOM 220 O ALA A 14 -0.366 14.789 4.174 1.00 30.43 O ATOM 221 CB ALA A 14 -2.380 17.062 2.801 1.00 72.41 C ATOM 0 H ALA A 14 -2.217 18.706 4.585 1.00 41.40 H new ATOM 0 HA ALA A 14 -2.460 15.975 4.671 1.00 30.41 H new ATOM 0 HB1 ALA A 14 -2.426 16.172 2.173 1.00 72.41 H new ATOM 0 HB2 ALA A 14 -3.382 17.473 2.923 1.00 72.41 H new ATOM 0 HB3 ALA A 14 -1.738 17.806 2.329 1.00 72.41 H new ATOM 227 N THR A 15 0.605 16.809 3.713 1.00 5.13 N ATOM 228 CA THR A 15 1.984 16.310 3.548 1.00 0.30 C ATOM 229 C THR A 15 2.476 15.622 4.839 1.00 53.32 C ATOM 230 O THR A 15 2.855 14.458 4.803 1.00 34.03 O ATOM 231 CB THR A 15 2.969 17.471 3.169 1.00 12.01 C ATOM 232 OG1 THR A 15 2.461 18.195 2.030 1.00 32.23 O ATOM 233 CG2 THR A 15 4.388 16.937 2.858 1.00 53.34 C ATOM 0 H THR A 15 0.518 17.818 3.588 1.00 5.13 H new ATOM 0 HA THR A 15 1.970 15.583 2.736 1.00 0.30 H new ATOM 0 HB THR A 15 3.041 18.139 4.027 1.00 12.01 H new ATOM 0 HG1 THR A 15 3.080 18.919 1.800 1.00 32.23 H new ATOM 0 HG21 THR A 15 5.042 17.770 2.600 1.00 53.34 H new ATOM 0 HG22 THR A 15 4.784 16.423 3.734 1.00 53.34 H new ATOM 0 HG23 THR A 15 4.339 16.241 2.021 1.00 53.34 H new ATOM 241 N ALA A 16 2.405 16.358 5.973 1.00 64.41 N ATOM 242 CA ALA A 16 2.879 15.882 7.294 1.00 33.12 C ATOM 243 C ALA A 16 2.222 14.546 7.674 1.00 33.23 C ATOM 244 O ALA A 16 2.911 13.549 7.896 1.00 41.34 O ATOM 245 CB ALA A 16 2.585 16.938 8.372 1.00 11.21 C ATOM 0 H ALA A 16 2.016 17.301 5.998 1.00 64.41 H new ATOM 0 HA ALA A 16 3.955 15.723 7.229 1.00 33.12 H new ATOM 0 HB1 ALA A 16 2.937 16.579 9.339 1.00 11.21 H new ATOM 0 HB2 ALA A 16 3.098 17.867 8.121 1.00 11.21 H new ATOM 0 HB3 ALA A 16 1.511 17.119 8.421 1.00 11.21 H new ATOM 251 N GLN A 17 0.876 14.543 7.651 1.00 52.04 N ATOM 252 CA GLN A 17 0.061 13.391 8.072 1.00 13.42 C ATOM 253 C GLN A 17 0.381 12.132 7.246 1.00 73.30 C ATOM 254 O GLN A 17 0.895 11.145 7.782 1.00 23.31 O ATOM 255 CB GLN A 17 -1.447 13.733 7.945 1.00 63.44 C ATOM 256 CG GLN A 17 -1.921 14.892 8.848 1.00 4.42 C ATOM 257 CD GLN A 17 -3.405 15.227 8.664 1.00 2.32 C ATOM 258 OE1 GLN A 17 -4.213 14.362 8.325 1.00 1.23 O ATOM 259 NE2 GLN A 17 -3.789 16.479 8.891 1.00 32.00 N ATOM 0 H GLN A 17 0.323 15.342 7.339 1.00 52.04 H new ATOM 0 HA GLN A 17 0.304 13.178 9.113 1.00 13.42 H new ATOM 0 HB2 GLN A 17 -1.662 13.987 6.907 1.00 63.44 H new ATOM 0 HB3 GLN A 17 -2.029 12.843 8.183 1.00 63.44 H new ATOM 0 HG2 GLN A 17 -1.740 14.630 9.891 1.00 4.42 H new ATOM 0 HG3 GLN A 17 -1.325 15.779 8.634 1.00 4.42 H new ATOM 0 HE21 GLN A 17 -3.103 17.180 9.171 1.00 32.00 H new ATOM 0 HE22 GLN A 17 -4.770 16.739 8.785 1.00 32.00 H new ATOM 268 N MET A 18 0.176 12.247 5.923 1.00 51.42 N ATOM 269 CA MET A 18 0.273 11.130 4.979 1.00 11.10 C ATOM 270 C MET A 18 1.710 10.568 4.928 1.00 22.20 C ATOM 271 O MET A 18 1.895 9.352 5.010 1.00 61.22 O ATOM 272 CB MET A 18 -0.173 11.587 3.566 1.00 71.32 C ATOM 273 CG MET A 18 -0.219 10.454 2.527 1.00 43.35 C ATOM 274 SD MET A 18 -0.224 11.053 0.833 1.00 1.41 S ATOM 275 CE MET A 18 1.379 11.856 0.784 1.00 5.44 C ATOM 0 H MET A 18 -0.065 13.132 5.477 1.00 51.42 H new ATOM 0 HA MET A 18 -0.389 10.335 5.323 1.00 11.10 H new ATOM 0 HB2 MET A 18 -1.161 12.041 3.637 1.00 71.32 H new ATOM 0 HB3 MET A 18 0.509 12.361 3.214 1.00 71.32 H new ATOM 0 HG2 MET A 18 0.641 9.800 2.673 1.00 43.35 H new ATOM 0 HG3 MET A 18 -1.111 9.850 2.695 1.00 43.35 H new ATOM 0 HE1 MET A 18 1.257 12.892 0.469 1.00 5.44 H new ATOM 0 HE2 MET A 18 1.830 11.829 1.776 1.00 5.44 H new ATOM 0 HE3 MET A 18 2.025 11.335 0.078 1.00 5.44 H new ATOM 285 N GLU A 19 2.712 11.479 4.848 1.00 1.23 N ATOM 286 CA GLU A 19 4.138 11.108 4.807 1.00 73.24 C ATOM 287 C GLU A 19 4.512 10.306 6.058 1.00 5.34 C ATOM 288 O GLU A 19 4.919 9.159 5.933 1.00 64.53 O ATOM 289 CB GLU A 19 5.051 12.358 4.725 1.00 41.11 C ATOM 290 CG GLU A 19 6.577 12.048 4.718 1.00 44.54 C ATOM 291 CD GLU A 19 7.436 13.151 5.357 1.00 31.32 C ATOM 292 OE1 GLU A 19 7.320 13.345 6.594 1.00 74.02 O ATOM 293 OE2 GLU A 19 8.253 13.796 4.660 1.00 4.10 O ATOM 0 H GLU A 19 2.549 12.485 4.811 1.00 1.23 H new ATOM 0 HA GLU A 19 4.290 10.504 3.913 1.00 73.24 H new ATOM 0 HB2 GLU A 19 4.803 12.914 3.821 1.00 41.11 H new ATOM 0 HB3 GLU A 19 4.830 13.009 5.571 1.00 41.11 H new ATOM 0 HG2 GLU A 19 6.751 11.112 5.248 1.00 44.54 H new ATOM 0 HG3 GLU A 19 6.903 11.897 3.689 1.00 44.54 H new ATOM 300 N GLU A 20 4.295 10.922 7.253 1.00 40.23 N ATOM 301 CA GLU A 20 4.675 10.328 8.554 1.00 33.24 C ATOM 302 C GLU A 20 4.046 8.937 8.737 1.00 64.24 C ATOM 303 O GLU A 20 4.755 7.978 9.058 1.00 2.24 O ATOM 304 CB GLU A 20 4.273 11.242 9.742 1.00 23.51 C ATOM 305 CG GLU A 20 5.084 12.551 9.854 1.00 22.42 C ATOM 306 CD GLU A 20 4.656 13.404 11.061 1.00 24.13 C ATOM 307 OE1 GLU A 20 5.217 13.210 12.166 1.00 42.41 O ATOM 308 OE2 GLU A 20 3.738 14.248 10.925 1.00 34.41 O ATOM 0 H GLU A 20 3.854 11.838 7.335 1.00 40.23 H new ATOM 0 HA GLU A 20 5.760 10.227 8.548 1.00 33.24 H new ATOM 0 HB2 GLU A 20 3.216 11.492 9.648 1.00 23.51 H new ATOM 0 HB3 GLU A 20 4.386 10.680 10.669 1.00 23.51 H new ATOM 0 HG2 GLU A 20 6.144 12.312 9.939 1.00 22.42 H new ATOM 0 HG3 GLU A 20 4.960 13.132 8.940 1.00 22.42 H new ATOM 315 N LYS A 21 2.722 8.845 8.470 1.00 31.21 N ATOM 316 CA LYS A 21 1.973 7.584 8.601 1.00 23.25 C ATOM 317 C LYS A 21 2.568 6.503 7.681 1.00 42.31 C ATOM 318 O LYS A 21 2.938 5.431 8.160 1.00 41.52 O ATOM 319 CB LYS A 21 0.463 7.777 8.281 1.00 34.31 C ATOM 320 CG LYS A 21 -0.342 8.755 9.188 1.00 20.43 C ATOM 321 CD LYS A 21 -0.606 8.265 10.642 1.00 1.31 C ATOM 322 CE LYS A 21 0.592 8.422 11.603 1.00 52.53 C ATOM 323 NZ LYS A 21 1.065 9.832 11.720 1.00 44.11 N ATOM 0 H LYS A 21 2.154 9.634 8.162 1.00 31.21 H new ATOM 0 HA LYS A 21 2.061 7.261 9.638 1.00 23.25 H new ATOM 0 HB2 LYS A 21 0.379 8.125 7.252 1.00 34.31 H new ATOM 0 HB3 LYS A 21 -0.019 6.800 8.328 1.00 34.31 H new ATOM 0 HG2 LYS A 21 0.195 9.702 9.235 1.00 20.43 H new ATOM 0 HG3 LYS A 21 -1.302 8.956 8.712 1.00 20.43 H new ATOM 0 HD2 LYS A 21 -1.455 8.816 11.048 1.00 1.31 H new ATOM 0 HD3 LYS A 21 -0.894 7.214 10.610 1.00 1.31 H new ATOM 0 HE2 LYS A 21 0.309 8.056 12.590 1.00 52.53 H new ATOM 0 HE3 LYS A 21 1.414 7.797 11.255 1.00 52.53 H new ATOM 0 HZ1 LYS A 21 1.699 9.918 12.540 1.00 44.11 H new ATOM 0 HZ2 LYS A 21 1.578 10.099 10.856 1.00 44.11 H new ATOM 0 HZ3 LYS A 21 0.248 10.463 11.847 1.00 44.11 H new ATOM 337 N LEU A 22 2.717 6.848 6.379 1.00 34.12 N ATOM 338 CA LEU A 22 3.179 5.918 5.332 1.00 51.12 C ATOM 339 C LEU A 22 4.579 5.360 5.665 1.00 3.02 C ATOM 340 O LEU A 22 4.764 4.143 5.702 1.00 71.43 O ATOM 341 CB LEU A 22 3.154 6.634 3.937 1.00 63.01 C ATOM 342 CG LEU A 22 3.176 5.732 2.646 1.00 42.43 C ATOM 343 CD1 LEU A 22 2.807 6.553 1.391 1.00 14.22 C ATOM 344 CD2 LEU A 22 4.539 5.021 2.446 1.00 64.44 C ATOM 0 H LEU A 22 2.518 7.785 6.029 1.00 34.12 H new ATOM 0 HA LEU A 22 2.501 5.066 5.289 1.00 51.12 H new ATOM 0 HB2 LEU A 22 2.259 7.255 3.896 1.00 63.01 H new ATOM 0 HB3 LEU A 22 4.011 7.306 3.890 1.00 63.01 H new ATOM 0 HG LEU A 22 2.424 4.957 2.792 1.00 42.43 H new ATOM 0 HD11 LEU A 22 2.830 5.907 0.514 1.00 14.22 H new ATOM 0 HD12 LEU A 22 1.806 6.969 1.510 1.00 14.22 H new ATOM 0 HD13 LEU A 22 3.524 7.364 1.263 1.00 14.22 H new ATOM 0 HD21 LEU A 22 4.503 4.412 1.543 1.00 64.44 H new ATOM 0 HD22 LEU A 22 5.328 5.767 2.349 1.00 64.44 H new ATOM 0 HD23 LEU A 22 4.746 4.384 3.305 1.00 64.44 H new ATOM 356 N ARG A 23 5.545 6.258 5.929 1.00 32.30 N ATOM 357 CA ARG A 23 6.956 5.868 6.106 1.00 71.04 C ATOM 358 C ARG A 23 7.200 5.161 7.450 1.00 1.32 C ATOM 359 O ARG A 23 8.021 4.259 7.499 1.00 41.31 O ATOM 360 CB ARG A 23 7.916 7.072 5.930 1.00 23.11 C ATOM 361 CG ARG A 23 7.736 8.236 6.927 1.00 11.11 C ATOM 362 CD ARG A 23 8.692 9.407 6.645 1.00 45.41 C ATOM 363 NE ARG A 23 8.353 10.614 7.422 1.00 72.55 N ATOM 364 CZ ARG A 23 8.945 11.010 8.552 1.00 43.23 C ATOM 365 NH1 ARG A 23 9.925 10.299 9.098 1.00 55.50 N ATOM 366 NH2 ARG A 23 8.571 12.160 9.093 1.00 1.22 N ATOM 0 H ARG A 23 5.374 7.259 6.025 1.00 32.30 H new ATOM 0 HA ARG A 23 7.177 5.150 5.316 1.00 71.04 H new ATOM 0 HB2 ARG A 23 8.940 6.708 6.009 1.00 23.11 H new ATOM 0 HB3 ARG A 23 7.794 7.463 4.920 1.00 23.11 H new ATOM 0 HG2 ARG A 23 6.707 8.593 6.882 1.00 11.11 H new ATOM 0 HG3 ARG A 23 7.903 7.871 7.940 1.00 11.11 H new ATOM 0 HD2 ARG A 23 9.712 9.103 6.879 1.00 45.41 H new ATOM 0 HD3 ARG A 23 8.666 9.645 5.582 1.00 45.41 H new ATOM 0 HE ARG A 23 7.598 11.199 7.064 1.00 72.55 H new ATOM 0 HH11 ARG A 23 10.237 9.435 8.654 1.00 55.50 H new ATOM 0 HH12 ARG A 23 10.366 10.617 9.961 1.00 55.50 H new ATOM 0 HH21 ARG A 23 7.846 12.722 8.647 1.00 1.22 H new ATOM 0 HH22 ARG A 23 9.008 12.484 9.956 1.00 1.22 H new ATOM 380 N ASP A 24 6.474 5.557 8.524 1.00 25.31 N ATOM 381 CA ASP A 24 6.589 4.893 9.851 1.00 21.10 C ATOM 382 C ASP A 24 6.044 3.453 9.768 1.00 61.10 C ATOM 383 O ASP A 24 6.644 2.507 10.302 1.00 3.34 O ATOM 384 CB ASP A 24 5.822 5.697 10.931 1.00 13.04 C ATOM 385 CG ASP A 24 6.006 5.132 12.354 1.00 74.22 C ATOM 386 OD1 ASP A 24 7.023 5.458 13.004 1.00 4.42 O ATOM 387 OD2 ASP A 24 5.122 4.383 12.839 1.00 13.43 O ATOM 0 H ASP A 24 5.806 6.328 8.501 1.00 25.31 H new ATOM 0 HA ASP A 24 7.641 4.858 10.133 1.00 21.10 H new ATOM 0 HB2 ASP A 24 6.160 6.733 10.912 1.00 13.04 H new ATOM 0 HB3 ASP A 24 4.760 5.704 10.684 1.00 13.04 H new ATOM 392 N PHE A 25 4.900 3.335 9.075 1.00 11.01 N ATOM 393 CA PHE A 25 4.250 2.054 8.714 1.00 24.42 C ATOM 394 C PHE A 25 5.235 1.133 7.952 1.00 44.04 C ATOM 395 O PHE A 25 5.510 0.011 8.386 1.00 4.12 O ATOM 396 CB PHE A 25 2.994 2.410 7.856 1.00 42.24 C ATOM 397 CG PHE A 25 2.308 1.283 7.076 1.00 41.13 C ATOM 398 CD1 PHE A 25 1.291 0.535 7.650 1.00 11.42 C ATOM 399 CD2 PHE A 25 2.650 1.012 5.743 1.00 14.42 C ATOM 400 CE1 PHE A 25 0.635 -0.442 6.927 1.00 22.44 C ATOM 401 CE2 PHE A 25 2.002 0.028 5.028 1.00 12.30 C ATOM 402 CZ PHE A 25 0.991 -0.693 5.622 1.00 62.21 C ATOM 0 H PHE A 25 4.383 4.148 8.739 1.00 11.01 H new ATOM 0 HA PHE A 25 3.948 1.499 9.602 1.00 24.42 H new ATOM 0 HB2 PHE A 25 2.253 2.855 8.519 1.00 42.24 H new ATOM 0 HB3 PHE A 25 3.286 3.180 7.142 1.00 42.24 H new ATOM 0 HD1 PHE A 25 1.008 0.719 8.676 1.00 11.42 H new ATOM 0 HD2 PHE A 25 3.434 1.584 5.269 1.00 14.42 H new ATOM 0 HE1 PHE A 25 -0.160 -1.010 7.387 1.00 22.44 H new ATOM 0 HE2 PHE A 25 2.286 -0.176 4.006 1.00 12.30 H new ATOM 0 HZ PHE A 25 0.475 -1.459 5.061 1.00 62.21 H new ATOM 412 N THR A 26 5.797 1.664 6.848 1.00 34.40 N ATOM 413 CA THR A 26 6.650 0.899 5.914 1.00 4.32 C ATOM 414 C THR A 26 8.072 0.660 6.490 1.00 52.14 C ATOM 415 O THR A 26 8.743 -0.296 6.103 1.00 21.30 O ATOM 416 CB THR A 26 6.715 1.623 4.519 1.00 74.52 C ATOM 417 OG1 THR A 26 5.381 1.838 4.018 1.00 63.40 O ATOM 418 CG2 THR A 26 7.500 0.819 3.469 1.00 0.35 C ATOM 0 H THR A 26 5.672 2.639 6.577 1.00 34.40 H new ATOM 0 HA THR A 26 6.197 -0.083 5.776 1.00 4.32 H new ATOM 0 HB THR A 26 7.233 2.568 4.682 1.00 74.52 H new ATOM 0 HG1 THR A 26 4.972 2.594 4.489 1.00 63.40 H new ATOM 0 HG21 THR A 26 7.512 1.366 2.526 1.00 0.35 H new ATOM 0 HG22 THR A 26 8.523 0.669 3.815 1.00 0.35 H new ATOM 0 HG23 THR A 26 7.022 -0.149 3.320 1.00 0.35 H new ATOM 426 N ARG A 27 8.501 1.514 7.448 1.00 31.31 N ATOM 427 CA ARG A 27 9.835 1.411 8.105 1.00 73.12 C ATOM 428 C ARG A 27 9.982 0.059 8.849 1.00 24.24 C ATOM 429 O ARG A 27 11.091 -0.481 8.966 1.00 71.13 O ATOM 430 CB ARG A 27 10.069 2.606 9.107 1.00 41.44 C ATOM 431 CG ARG A 27 11.374 3.416 8.883 1.00 23.33 C ATOM 432 CD ARG A 27 12.650 2.577 9.077 1.00 30.53 C ATOM 433 NE ARG A 27 13.875 3.356 8.814 1.00 60.14 N ATOM 434 CZ ARG A 27 15.095 3.077 9.307 1.00 73.23 C ATOM 435 NH1 ARG A 27 15.275 2.030 10.109 1.00 61.13 N ATOM 436 NH2 ARG A 27 16.130 3.838 8.989 1.00 12.42 N ATOM 0 H ARG A 27 7.938 2.293 7.790 1.00 31.31 H new ATOM 0 HA ARG A 27 10.591 1.464 7.322 1.00 73.12 H new ATOM 0 HB2 ARG A 27 9.222 3.288 9.037 1.00 41.44 H new ATOM 0 HB3 ARG A 27 10.077 2.210 10.123 1.00 41.44 H new ATOM 0 HG2 ARG A 27 11.369 3.829 7.874 1.00 23.33 H new ATOM 0 HG3 ARG A 27 11.393 4.260 9.573 1.00 23.33 H new ATOM 0 HD2 ARG A 27 12.678 2.192 10.096 1.00 30.53 H new ATOM 0 HD3 ARG A 27 12.620 1.714 8.411 1.00 30.53 H new ATOM 0 HE ARG A 27 13.790 4.173 8.209 1.00 60.14 H new ATOM 0 HH11 ARG A 27 14.485 1.433 10.353 1.00 61.13 H new ATOM 0 HH12 ARG A 27 16.203 1.825 10.479 1.00 61.13 H new ATOM 0 HH21 ARG A 27 16.003 4.638 8.369 1.00 12.42 H new ATOM 0 HH22 ARG A 27 17.054 3.625 9.364 1.00 12.42 H new ATOM 450 N ALA A 28 8.834 -0.448 9.341 1.00 53.40 N ATOM 451 CA ALA A 28 8.746 -1.706 10.098 1.00 54.41 C ATOM 452 C ALA A 28 9.082 -2.935 9.226 1.00 14.24 C ATOM 453 O ALA A 28 9.614 -3.932 9.743 1.00 32.34 O ATOM 454 CB ALA A 28 7.334 -1.835 10.714 1.00 72.44 C ATOM 0 H ALA A 28 7.932 0.013 9.221 1.00 53.40 H new ATOM 0 HA ALA A 28 9.490 -1.678 10.894 1.00 54.41 H new ATOM 0 HB1 ALA A 28 7.266 -2.767 11.276 1.00 72.44 H new ATOM 0 HB2 ALA A 28 7.150 -0.994 11.383 1.00 72.44 H new ATOM 0 HB3 ALA A 28 6.589 -1.836 9.919 1.00 72.44 H new ATOM 460 N TYR A 29 8.797 -2.869 7.903 1.00 34.11 N ATOM 461 CA TYR A 29 8.888 -4.060 7.039 1.00 32.50 C ATOM 462 C TYR A 29 9.099 -3.781 5.542 1.00 30.54 C ATOM 463 O TYR A 29 8.628 -2.797 4.972 1.00 62.12 O ATOM 464 CB TYR A 29 7.648 -4.995 7.231 1.00 65.01 C ATOM 465 CG TYR A 29 6.249 -4.346 7.324 1.00 21.50 C ATOM 466 CD1 TYR A 29 5.951 -3.112 6.734 1.00 63.31 C ATOM 467 CD2 TYR A 29 5.228 -4.995 8.018 1.00 72.50 C ATOM 468 CE1 TYR A 29 4.687 -2.563 6.843 1.00 41.05 C ATOM 469 CE2 TYR A 29 3.972 -4.450 8.125 1.00 32.12 C ATOM 470 CZ TYR A 29 3.709 -3.241 7.539 1.00 62.13 C ATOM 471 OH TYR A 29 2.452 -2.714 7.660 1.00 0.40 O ATOM 0 H TYR A 29 8.508 -2.017 7.422 1.00 34.11 H new ATOM 0 HA TYR A 29 9.798 -4.557 7.375 1.00 32.50 H new ATOM 0 HB2 TYR A 29 7.632 -5.701 6.401 1.00 65.01 H new ATOM 0 HB3 TYR A 29 7.807 -5.575 8.140 1.00 65.01 H new ATOM 0 HD1 TYR A 29 6.717 -2.583 6.187 1.00 63.31 H new ATOM 0 HD2 TYR A 29 5.430 -5.949 8.482 1.00 72.50 H new ATOM 0 HE1 TYR A 29 4.467 -1.609 6.386 1.00 41.05 H new ATOM 0 HE2 TYR A 29 3.197 -4.971 8.668 1.00 32.12 H new ATOM 0 HH TYR A 29 2.343 -1.978 7.023 1.00 0.40 H new ATOM 481 N GLU A 30 9.824 -4.726 4.946 1.00 63.12 N ATOM 482 CA GLU A 30 9.953 -4.935 3.506 1.00 21.22 C ATOM 483 C GLU A 30 9.828 -6.458 3.233 1.00 4.33 C ATOM 484 O GLU A 30 9.730 -7.255 4.192 1.00 35.11 O ATOM 485 CB GLU A 30 11.336 -4.410 2.987 1.00 5.43 C ATOM 486 CG GLU A 30 11.506 -2.880 3.036 1.00 12.43 C ATOM 487 CD GLU A 30 12.885 -2.391 2.562 1.00 14.01 C ATOM 488 OE1 GLU A 30 13.220 -2.609 1.380 1.00 64.32 O ATOM 489 OE2 GLU A 30 13.630 -1.777 3.362 1.00 63.40 O ATOM 0 H GLU A 30 10.366 -5.402 5.484 1.00 63.12 H new ATOM 0 HA GLU A 30 9.172 -4.384 2.982 1.00 21.22 H new ATOM 0 HB2 GLU A 30 12.128 -4.869 3.579 1.00 5.43 H new ATOM 0 HB3 GLU A 30 11.473 -4.744 1.958 1.00 5.43 H new ATOM 0 HG2 GLU A 30 10.736 -2.419 2.418 1.00 12.43 H new ATOM 0 HG3 GLU A 30 11.342 -2.538 4.058 1.00 12.43 H new ATOM 496 N PRO A 31 9.758 -6.903 1.946 1.00 31.23 N ATOM 497 CA PRO A 31 10.186 -8.272 1.583 1.00 53.42 C ATOM 498 C PRO A 31 11.734 -8.364 1.672 1.00 52.24 C ATOM 499 O PRO A 31 12.438 -7.449 1.213 1.00 74.32 O ATOM 500 CB PRO A 31 9.641 -8.437 0.142 1.00 31.22 C ATOM 501 CG PRO A 31 9.607 -7.040 -0.401 1.00 45.34 C ATOM 502 CD PRO A 31 9.202 -6.166 0.767 1.00 42.14 C ATOM 0 HA PRO A 31 9.816 -9.062 2.236 1.00 53.42 H new ATOM 0 HB2 PRO A 31 10.286 -9.081 -0.456 1.00 31.22 H new ATOM 0 HB3 PRO A 31 8.649 -8.889 0.141 1.00 31.22 H new ATOM 0 HG2 PRO A 31 10.581 -6.747 -0.792 1.00 45.34 H new ATOM 0 HG3 PRO A 31 8.895 -6.954 -1.222 1.00 45.34 H new ATOM 0 HD2 PRO A 31 9.620 -5.163 0.684 1.00 42.14 H new ATOM 0 HD3 PRO A 31 8.120 -6.056 0.833 1.00 42.14 H new ATOM 510 N ASP A 32 12.233 -9.460 2.274 1.00 41.31 N ATOM 511 CA ASP A 32 13.619 -9.574 2.790 1.00 42.33 C ATOM 512 C ASP A 32 13.843 -8.523 3.906 1.00 24.15 C ATOM 513 O ASP A 32 14.521 -7.503 3.715 1.00 42.34 O ATOM 514 CB ASP A 32 14.701 -9.498 1.666 1.00 2.13 C ATOM 515 CG ASP A 32 16.152 -9.708 2.165 1.00 54.35 C ATOM 516 OD1 ASP A 32 16.400 -10.683 2.918 1.00 4.25 O ATOM 517 OD2 ASP A 32 17.047 -8.900 1.817 1.00 3.12 O ATOM 0 H ASP A 32 11.681 -10.305 2.420 1.00 41.31 H new ATOM 0 HA ASP A 32 13.739 -10.569 3.219 1.00 42.33 H new ATOM 0 HB2 ASP A 32 14.476 -10.250 0.910 1.00 2.13 H new ATOM 0 HB3 ASP A 32 14.634 -8.526 1.178 1.00 2.13 H new ATOM 522 N SER A 33 13.180 -8.772 5.047 1.00 72.14 N ATOM 523 CA SER A 33 13.189 -7.901 6.240 1.00 71.31 C ATOM 524 C SER A 33 12.426 -8.632 7.357 1.00 12.11 C ATOM 525 O SER A 33 12.993 -9.027 8.378 1.00 72.42 O ATOM 526 CB SER A 33 12.555 -6.514 5.936 1.00 71.24 C ATOM 527 OG SER A 33 12.231 -5.759 7.100 1.00 74.24 O ATOM 0 H SER A 33 12.607 -9.606 5.171 1.00 72.14 H new ATOM 0 HA SER A 33 14.215 -7.706 6.552 1.00 71.31 H new ATOM 0 HB2 SER A 33 13.246 -5.937 5.321 1.00 71.24 H new ATOM 0 HB3 SER A 33 11.650 -6.661 5.347 1.00 71.24 H new ATOM 0 HG SER A 33 11.990 -4.845 6.841 1.00 74.24 H new ATOM 533 N VAL A 34 11.120 -8.828 7.101 1.00 23.54 N ATOM 534 CA VAL A 34 10.220 -9.641 7.936 1.00 45.40 C ATOM 535 C VAL A 34 9.887 -10.972 7.232 1.00 64.05 C ATOM 536 O VAL A 34 10.437 -11.279 6.162 1.00 50.21 O ATOM 537 CB VAL A 34 8.896 -8.869 8.300 1.00 5.10 C ATOM 538 CG1 VAL A 34 9.211 -7.583 9.111 1.00 52.04 C ATOM 539 CG2 VAL A 34 8.059 -8.568 7.042 1.00 64.52 C ATOM 0 H VAL A 34 10.653 -8.418 6.293 1.00 23.54 H new ATOM 0 HA VAL A 34 10.744 -9.852 8.868 1.00 45.40 H new ATOM 0 HB VAL A 34 8.291 -9.515 8.936 1.00 5.10 H new ATOM 0 HG11 VAL A 34 8.281 -7.067 9.351 1.00 52.04 H new ATOM 0 HG12 VAL A 34 9.725 -7.852 10.034 1.00 52.04 H new ATOM 0 HG13 VAL A 34 9.848 -6.926 8.519 1.00 52.04 H new ATOM 0 HG21 VAL A 34 7.152 -8.035 7.327 1.00 64.52 H new ATOM 0 HG22 VAL A 34 8.641 -7.953 6.356 1.00 64.52 H new ATOM 0 HG23 VAL A 34 7.791 -9.503 6.551 1.00 64.52 H new ATOM 549 N LEU A 35 9.003 -11.750 7.862 1.00 40.32 N ATOM 550 CA LEU A 35 8.489 -13.018 7.321 1.00 64.24 C ATOM 551 C LEU A 35 7.665 -12.749 6.046 1.00 22.40 C ATOM 552 O LEU A 35 6.910 -11.759 5.999 1.00 23.22 O ATOM 553 CB LEU A 35 7.617 -13.780 8.370 1.00 71.15 C ATOM 554 CG LEU A 35 8.365 -14.366 9.621 1.00 74.21 C ATOM 555 CD1 LEU A 35 8.902 -13.261 10.548 1.00 1.20 C ATOM 556 CD2 LEU A 35 7.449 -15.328 10.387 1.00 13.31 C ATOM 0 H LEU A 35 8.616 -11.516 8.776 1.00 40.32 H new ATOM 0 HA LEU A 35 9.344 -13.649 7.077 1.00 64.24 H new ATOM 0 HB2 LEU A 35 6.842 -13.101 8.725 1.00 71.15 H new ATOM 0 HB3 LEU A 35 7.113 -14.601 7.860 1.00 71.15 H new ATOM 0 HG LEU A 35 9.230 -14.920 9.256 1.00 74.21 H new ATOM 0 HD11 LEU A 35 9.411 -13.715 11.398 1.00 1.20 H new ATOM 0 HD12 LEU A 35 9.603 -12.634 9.998 1.00 1.20 H new ATOM 0 HD13 LEU A 35 8.072 -12.651 10.905 1.00 1.20 H new ATOM 0 HD21 LEU A 35 7.981 -15.726 11.251 1.00 13.31 H new ATOM 0 HD22 LEU A 35 6.560 -14.794 10.722 1.00 13.31 H new ATOM 0 HD23 LEU A 35 7.154 -16.148 9.733 1.00 13.31 H new ATOM 568 N PRO A 36 7.811 -13.601 4.976 1.00 1.13 N ATOM 569 CA PRO A 36 7.041 -13.454 3.736 1.00 41.34 C ATOM 570 C PRO A 36 5.695 -14.217 3.822 1.00 60.23 C ATOM 571 O PRO A 36 5.472 -15.019 4.740 1.00 12.53 O ATOM 572 CB PRO A 36 7.997 -14.064 2.652 1.00 2.30 C ATOM 573 CG PRO A 36 9.061 -14.855 3.400 1.00 71.44 C ATOM 574 CD PRO A 36 8.705 -14.791 4.883 1.00 45.44 C ATOM 0 HA PRO A 36 6.762 -12.424 3.516 1.00 41.34 H new ATOM 0 HB2 PRO A 36 7.445 -14.709 1.968 1.00 2.30 H new ATOM 0 HB3 PRO A 36 8.452 -13.277 2.050 1.00 2.30 H new ATOM 0 HG2 PRO A 36 9.088 -15.888 3.054 1.00 71.44 H new ATOM 0 HG3 PRO A 36 10.051 -14.434 3.222 1.00 71.44 H new ATOM 0 HD2 PRO A 36 8.201 -15.699 5.214 1.00 45.44 H new ATOM 0 HD3 PRO A 36 9.593 -14.675 5.504 1.00 45.44 H new ATOM 582 N LEU A 37 4.820 -13.966 2.842 1.00 20.24 N ATOM 583 CA LEU A 37 3.550 -14.692 2.669 1.00 13.24 C ATOM 584 C LEU A 37 3.821 -15.950 1.796 1.00 31.03 C ATOM 585 O LEU A 37 4.981 -16.381 1.693 1.00 5.15 O ATOM 586 CB LEU A 37 2.494 -13.746 2.026 1.00 34.33 C ATOM 587 CG LEU A 37 2.259 -12.354 2.710 1.00 63.33 C ATOM 588 CD1 LEU A 37 1.103 -11.592 2.019 1.00 2.21 C ATOM 589 CD2 LEU A 37 2.020 -12.491 4.233 1.00 3.40 C ATOM 0 H LEU A 37 4.973 -13.245 2.137 1.00 20.24 H new ATOM 0 HA LEU A 37 3.149 -15.018 3.629 1.00 13.24 H new ATOM 0 HB2 LEU A 37 2.788 -13.567 0.992 1.00 34.33 H new ATOM 0 HB3 LEU A 37 1.541 -14.274 2.000 1.00 34.33 H new ATOM 0 HG LEU A 37 3.170 -11.768 2.587 1.00 63.33 H new ATOM 0 HD11 LEU A 37 0.957 -10.630 2.509 1.00 2.21 H new ATOM 0 HD12 LEU A 37 1.349 -11.431 0.970 1.00 2.21 H new ATOM 0 HD13 LEU A 37 0.187 -12.178 2.091 1.00 2.21 H new ATOM 0 HD21 LEU A 37 1.862 -11.504 4.667 1.00 3.40 H new ATOM 0 HD22 LEU A 37 1.140 -13.110 4.409 1.00 3.40 H new ATOM 0 HD23 LEU A 37 2.890 -12.956 4.697 1.00 3.40 H new ATOM 601 N ALA A 38 2.776 -16.538 1.175 1.00 33.41 N ATOM 602 CA ALA A 38 2.928 -17.742 0.318 1.00 2.42 C ATOM 603 C ALA A 38 3.771 -17.468 -0.948 1.00 25.52 C ATOM 604 O ALA A 38 3.940 -16.308 -1.357 1.00 44.43 O ATOM 605 CB ALA A 38 1.553 -18.293 -0.075 1.00 54.34 C ATOM 0 H ALA A 38 1.816 -16.201 1.249 1.00 33.41 H new ATOM 0 HA ALA A 38 3.465 -18.485 0.908 1.00 2.42 H new ATOM 0 HB1 ALA A 38 1.680 -19.175 -0.703 1.00 54.34 H new ATOM 0 HB2 ALA A 38 0.999 -18.564 0.824 1.00 54.34 H new ATOM 0 HB3 ALA A 38 1.000 -17.532 -0.626 1.00 54.34 H new ATOM 611 N ASP A 39 4.255 -18.575 -1.549 1.00 11.43 N ATOM 612 CA ASP A 39 5.189 -18.576 -2.700 1.00 60.11 C ATOM 613 C ASP A 39 4.596 -17.863 -3.928 1.00 4.33 C ATOM 614 O ASP A 39 3.392 -17.992 -4.212 1.00 21.41 O ATOM 615 CB ASP A 39 5.559 -20.035 -3.085 1.00 52.51 C ATOM 616 CG ASP A 39 6.587 -20.122 -4.238 1.00 74.24 C ATOM 617 OD1 ASP A 39 7.805 -20.020 -3.964 1.00 14.01 O ATOM 618 OD2 ASP A 39 6.183 -20.297 -5.415 1.00 3.34 O ATOM 0 H ASP A 39 4.003 -19.515 -1.243 1.00 11.43 H new ATOM 0 HA ASP A 39 6.081 -18.031 -2.391 1.00 60.11 H new ATOM 0 HB2 ASP A 39 5.962 -20.543 -2.209 1.00 52.51 H new ATOM 0 HB3 ASP A 39 4.653 -20.568 -3.374 1.00 52.51 H new ATOM 623 N GLY A 40 5.475 -17.129 -4.638 1.00 23.31 N ATOM 624 CA GLY A 40 5.131 -16.426 -5.863 1.00 1.40 C ATOM 625 C GLY A 40 4.173 -15.281 -5.620 1.00 11.21 C ATOM 626 O GLY A 40 4.596 -14.220 -5.184 1.00 45.22 O ATOM 0 H GLY A 40 6.451 -17.014 -4.364 1.00 23.31 H new ATOM 0 HA2 GLY A 40 6.040 -16.043 -6.327 1.00 1.40 H new ATOM 0 HA3 GLY A 40 4.684 -17.127 -6.568 1.00 1.40 H new ATOM 630 N VAL A 41 2.873 -15.557 -5.821 1.00 51.30 N ATOM 631 CA VAL A 41 1.798 -14.545 -5.848 1.00 41.24 C ATOM 632 C VAL A 41 1.722 -13.665 -4.577 1.00 55.42 C ATOM 633 O VAL A 41 1.822 -12.451 -4.687 1.00 3.21 O ATOM 634 CB VAL A 41 0.387 -15.204 -6.138 1.00 22.44 C ATOM 635 CG1 VAL A 41 0.259 -15.613 -7.627 1.00 41.40 C ATOM 636 CG2 VAL A 41 0.112 -16.417 -5.203 1.00 55.01 C ATOM 0 H VAL A 41 2.532 -16.506 -5.972 1.00 51.30 H new ATOM 0 HA VAL A 41 2.063 -13.879 -6.669 1.00 41.24 H new ATOM 0 HB VAL A 41 -0.371 -14.450 -5.925 1.00 22.44 H new ATOM 0 HG11 VAL A 41 -0.719 -16.063 -7.798 1.00 41.40 H new ATOM 0 HG12 VAL A 41 0.368 -14.730 -8.257 1.00 41.40 H new ATOM 0 HG13 VAL A 41 1.038 -16.334 -7.875 1.00 41.40 H new ATOM 0 HG21 VAL A 41 -0.865 -16.840 -5.434 1.00 55.01 H new ATOM 0 HG22 VAL A 41 0.881 -17.175 -5.355 1.00 55.01 H new ATOM 0 HG23 VAL A 41 0.128 -16.087 -4.164 1.00 55.01 H new ATOM 646 N LEU A 42 1.584 -14.279 -3.383 1.00 5.11 N ATOM 647 CA LEU A 42 1.333 -13.523 -2.136 1.00 43.10 C ATOM 648 C LEU A 42 2.592 -12.767 -1.661 1.00 63.24 C ATOM 649 O LEU A 42 2.484 -11.668 -1.109 1.00 31.12 O ATOM 650 CB LEU A 42 0.786 -14.450 -1.016 1.00 21.43 C ATOM 651 CG LEU A 42 -0.590 -15.148 -1.286 1.00 73.03 C ATOM 652 CD1 LEU A 42 -1.147 -15.816 -0.003 1.00 54.01 C ATOM 653 CD2 LEU A 42 -1.607 -14.162 -1.894 1.00 23.45 C ATOM 0 H LEU A 42 1.642 -15.289 -3.255 1.00 5.11 H new ATOM 0 HA LEU A 42 0.570 -12.778 -2.360 1.00 43.10 H new ATOM 0 HB2 LEU A 42 1.528 -15.225 -0.824 1.00 21.43 H new ATOM 0 HB3 LEU A 42 0.695 -13.862 -0.103 1.00 21.43 H new ATOM 0 HG LEU A 42 -0.420 -15.938 -2.017 1.00 73.03 H new ATOM 0 HD11 LEU A 42 -2.103 -16.291 -0.226 1.00 54.01 H new ATOM 0 HD12 LEU A 42 -0.442 -16.568 0.351 1.00 54.01 H new ATOM 0 HD13 LEU A 42 -1.289 -15.060 0.769 1.00 54.01 H new ATOM 0 HD21 LEU A 42 -2.552 -14.676 -2.070 1.00 23.45 H new ATOM 0 HD22 LEU A 42 -1.768 -13.334 -1.204 1.00 23.45 H new ATOM 0 HD23 LEU A 42 -1.222 -13.778 -2.839 1.00 23.45 H new ATOM 665 N SER A 43 3.778 -13.361 -1.890 1.00 4.13 N ATOM 666 CA SER A 43 5.071 -12.715 -1.585 1.00 62.51 C ATOM 667 C SER A 43 5.303 -11.506 -2.522 1.00 14.22 C ATOM 668 O SER A 43 5.829 -10.468 -2.095 1.00 40.21 O ATOM 669 CB SER A 43 6.223 -13.736 -1.713 1.00 31.13 C ATOM 670 OG SER A 43 7.469 -13.160 -1.345 1.00 20.11 O ATOM 0 H SER A 43 3.869 -14.295 -2.289 1.00 4.13 H new ATOM 0 HA SER A 43 5.048 -12.351 -0.558 1.00 62.51 H new ATOM 0 HB2 SER A 43 6.018 -14.599 -1.080 1.00 31.13 H new ATOM 0 HB3 SER A 43 6.277 -14.099 -2.739 1.00 31.13 H new ATOM 0 HG SER A 43 8.178 -13.830 -1.435 1.00 20.11 H new ATOM 676 N PHE A 44 4.858 -11.662 -3.789 1.00 64.43 N ATOM 677 CA PHE A 44 4.917 -10.607 -4.814 1.00 31.02 C ATOM 678 C PHE A 44 3.957 -9.468 -4.458 1.00 44.32 C ATOM 679 O PHE A 44 4.295 -8.320 -4.652 1.00 3.11 O ATOM 680 CB PHE A 44 4.578 -11.195 -6.210 1.00 52.35 C ATOM 681 CG PHE A 44 4.603 -10.200 -7.381 1.00 61.53 C ATOM 682 CD1 PHE A 44 5.813 -9.718 -7.886 1.00 30.25 C ATOM 683 CD2 PHE A 44 3.419 -9.767 -7.992 1.00 24.11 C ATOM 684 CE1 PHE A 44 5.843 -8.842 -8.957 1.00 41.13 C ATOM 685 CE2 PHE A 44 3.452 -8.889 -9.061 1.00 12.02 C ATOM 686 CZ PHE A 44 4.662 -8.428 -9.541 1.00 1.21 C ATOM 0 H PHE A 44 4.446 -12.532 -4.127 1.00 64.43 H new ATOM 0 HA PHE A 44 5.929 -10.205 -4.848 1.00 31.02 H new ATOM 0 HB2 PHE A 44 5.283 -11.998 -6.426 1.00 52.35 H new ATOM 0 HB3 PHE A 44 3.587 -11.645 -6.162 1.00 52.35 H new ATOM 0 HD1 PHE A 44 6.741 -10.034 -7.433 1.00 30.25 H new ATOM 0 HD2 PHE A 44 2.468 -10.123 -7.624 1.00 24.11 H new ATOM 0 HE1 PHE A 44 6.789 -8.483 -9.335 1.00 41.13 H new ATOM 0 HE2 PHE A 44 2.530 -8.564 -9.521 1.00 12.02 H new ATOM 0 HZ PHE A 44 4.685 -7.742 -10.375 1.00 1.21 H new ATOM 696 N ILE A 45 2.773 -9.809 -3.920 1.00 71.43 N ATOM 697 CA ILE A 45 1.756 -8.825 -3.492 1.00 52.45 C ATOM 698 C ILE A 45 2.268 -8.002 -2.286 1.00 73.44 C ATOM 699 O ILE A 45 2.146 -6.785 -2.282 1.00 52.42 O ATOM 700 CB ILE A 45 0.390 -9.536 -3.153 1.00 64.43 C ATOM 701 CG1 ILE A 45 -0.241 -10.141 -4.452 1.00 73.43 C ATOM 702 CG2 ILE A 45 -0.606 -8.587 -2.441 1.00 44.24 C ATOM 703 CD1 ILE A 45 -1.459 -11.030 -4.236 1.00 72.23 C ATOM 0 H ILE A 45 2.491 -10.777 -3.768 1.00 71.43 H new ATOM 0 HA ILE A 45 1.577 -8.139 -4.320 1.00 52.45 H new ATOM 0 HB ILE A 45 0.605 -10.345 -2.454 1.00 64.43 H new ATOM 0 HG12 ILE A 45 -0.523 -9.322 -5.113 1.00 73.43 H new ATOM 0 HG13 ILE A 45 0.523 -10.721 -4.970 1.00 73.43 H new ATOM 0 HG21 ILE A 45 -1.531 -9.123 -2.229 1.00 44.24 H new ATOM 0 HG22 ILE A 45 -0.168 -8.235 -1.507 1.00 44.24 H new ATOM 0 HG23 ILE A 45 -0.820 -7.735 -3.086 1.00 44.24 H new ATOM 0 HD11 ILE A 45 -1.817 -11.396 -5.198 1.00 72.23 H new ATOM 0 HD12 ILE A 45 -1.185 -11.875 -3.605 1.00 72.23 H new ATOM 0 HD13 ILE A 45 -2.247 -10.455 -3.750 1.00 72.23 H new ATOM 715 N HIS A 46 2.863 -8.691 -1.284 1.00 23.40 N ATOM 716 CA HIS A 46 3.568 -8.037 -0.143 1.00 60.24 C ATOM 717 C HIS A 46 4.668 -7.080 -0.673 1.00 23.11 C ATOM 718 O HIS A 46 4.809 -5.934 -0.200 1.00 12.33 O ATOM 719 CB HIS A 46 4.175 -9.128 0.800 1.00 64.10 C ATOM 720 CG HIS A 46 5.150 -8.639 1.859 1.00 15.53 C ATOM 721 ND1 HIS A 46 5.045 -7.424 2.520 1.00 5.33 N ATOM 722 CD2 HIS A 46 6.257 -9.239 2.380 1.00 32.40 C ATOM 723 CE1 HIS A 46 6.045 -7.304 3.381 1.00 61.45 C ATOM 724 NE2 HIS A 46 6.785 -8.386 3.314 1.00 14.33 N ATOM 0 H HIS A 46 2.871 -9.710 -1.238 1.00 23.40 H new ATOM 0 HA HIS A 46 2.855 -7.445 0.432 1.00 60.24 H new ATOM 0 HB2 HIS A 46 3.354 -9.641 1.302 1.00 64.10 H new ATOM 0 HB3 HIS A 46 4.684 -9.868 0.183 1.00 64.10 H new ATOM 0 HD2 HIS A 46 6.647 -10.209 2.107 1.00 32.40 H new ATOM 0 HE1 HIS A 46 6.221 -6.458 4.029 1.00 61.45 H new ATOM 0 HE2 HIS A 46 7.622 -8.564 3.870 1.00 14.33 H new ATOM 733 N HIS A 47 5.396 -7.577 -1.695 1.00 12.13 N ATOM 734 CA HIS A 47 6.440 -6.833 -2.421 1.00 31.41 C ATOM 735 C HIS A 47 5.859 -5.571 -3.099 1.00 73.22 C ATOM 736 O HIS A 47 6.444 -4.505 -2.987 1.00 34.53 O ATOM 737 CB HIS A 47 7.123 -7.783 -3.453 1.00 62.22 C ATOM 738 CG HIS A 47 8.019 -7.119 -4.467 1.00 13.35 C ATOM 739 ND1 HIS A 47 7.611 -6.869 -5.757 1.00 73.25 N ATOM 740 CD2 HIS A 47 9.301 -6.675 -4.395 1.00 33.11 C ATOM 741 CE1 HIS A 47 8.589 -6.310 -6.426 1.00 2.33 C ATOM 742 NE2 HIS A 47 9.627 -6.171 -5.627 1.00 10.50 N ATOM 0 H HIS A 47 5.270 -8.527 -2.044 1.00 12.13 H new ATOM 0 HA HIS A 47 7.193 -6.486 -1.714 1.00 31.41 H new ATOM 0 HB2 HIS A 47 7.710 -8.520 -2.906 1.00 62.22 H new ATOM 0 HB3 HIS A 47 6.344 -8.328 -3.987 1.00 62.22 H new ATOM 0 HD2 HIS A 47 9.944 -6.712 -3.528 1.00 33.11 H new ATOM 0 HE1 HIS A 47 8.550 -6.012 -7.463 1.00 2.33 H new ATOM 0 HE2 HIS A 47 10.524 -5.757 -5.883 1.00 10.50 H new ATOM 751 N GLN A 48 4.685 -5.705 -3.755 1.00 54.42 N ATOM 752 CA GLN A 48 4.028 -4.587 -4.469 1.00 74.42 C ATOM 753 C GLN A 48 3.509 -3.531 -3.482 1.00 33.03 C ATOM 754 O GLN A 48 3.644 -2.343 -3.737 1.00 13.43 O ATOM 755 CB GLN A 48 2.863 -5.083 -5.363 1.00 50.23 C ATOM 756 CG GLN A 48 3.269 -6.067 -6.478 1.00 63.01 C ATOM 757 CD GLN A 48 4.307 -5.509 -7.447 1.00 72.20 C ATOM 758 OE1 GLN A 48 3.848 -4.954 -8.548 1.00 54.34 O flip ATOM 759 NE2 GLN A 48 5.515 -5.620 -7.230 1.00 32.03 N flip ATOM 0 H GLN A 48 4.169 -6.584 -3.805 1.00 54.42 H new ATOM 0 HA GLN A 48 4.784 -4.133 -5.110 1.00 74.42 H new ATOM 0 HB2 GLN A 48 2.118 -5.564 -4.729 1.00 50.23 H new ATOM 0 HB3 GLN A 48 2.382 -4.218 -5.820 1.00 50.23 H new ATOM 0 HG2 GLN A 48 3.663 -6.975 -6.022 1.00 63.01 H new ATOM 0 HG3 GLN A 48 2.379 -6.353 -7.039 1.00 63.01 H new ATOM 0 HE21 GLN A 48 5.840 -6.055 -6.367 1.00 32.03 H new ATOM 0 HE22 GLN A 48 6.190 -5.277 -7.914 1.00 32.03 H new ATOM 768 N ILE A 49 2.939 -3.990 -2.350 1.00 43.44 N ATOM 769 CA ILE A 49 2.448 -3.104 -1.281 1.00 51.42 C ATOM 770 C ILE A 49 3.596 -2.215 -0.786 1.00 50.41 C ATOM 771 O ILE A 49 3.524 -0.995 -0.919 1.00 24.03 O ATOM 772 CB ILE A 49 1.825 -3.912 -0.070 1.00 1.12 C ATOM 773 CG1 ILE A 49 0.565 -4.731 -0.510 1.00 54.20 C ATOM 774 CG2 ILE A 49 1.478 -2.973 1.116 1.00 71.55 C ATOM 775 CD1 ILE A 49 -0.030 -5.633 0.570 1.00 2.44 C ATOM 0 H ILE A 49 2.807 -4.982 -2.153 1.00 43.44 H new ATOM 0 HA ILE A 49 1.652 -2.488 -1.699 1.00 51.42 H new ATOM 0 HB ILE A 49 2.583 -4.619 0.266 1.00 1.12 H new ATOM 0 HG12 ILE A 49 -0.204 -4.034 -0.844 1.00 54.20 H new ATOM 0 HG13 ILE A 49 0.832 -5.346 -1.369 1.00 54.20 H new ATOM 0 HG21 ILE A 49 1.052 -3.558 1.931 1.00 71.55 H new ATOM 0 HG22 ILE A 49 2.383 -2.474 1.462 1.00 71.55 H new ATOM 0 HG23 ILE A 49 0.754 -2.226 0.789 1.00 71.55 H new ATOM 0 HD11 ILE A 49 -0.897 -6.157 0.169 1.00 2.44 H new ATOM 0 HD12 ILE A 49 0.717 -6.359 0.890 1.00 2.44 H new ATOM 0 HD13 ILE A 49 -0.335 -5.027 1.423 1.00 2.44 H new ATOM 787 N ILE A 50 4.682 -2.847 -0.298 1.00 53.23 N ATOM 788 CA ILE A 50 5.817 -2.106 0.278 1.00 13.40 C ATOM 789 C ILE A 50 6.509 -1.199 -0.778 1.00 42.40 C ATOM 790 O ILE A 50 6.710 -0.012 -0.534 1.00 23.34 O ATOM 791 CB ILE A 50 6.863 -3.084 0.923 1.00 53.42 C ATOM 792 CG1 ILE A 50 6.203 -3.959 2.044 1.00 62.13 C ATOM 793 CG2 ILE A 50 8.114 -2.331 1.455 1.00 61.42 C ATOM 794 CD1 ILE A 50 5.566 -3.182 3.175 1.00 12.20 C ATOM 0 H ILE A 50 4.795 -3.861 -0.292 1.00 53.23 H new ATOM 0 HA ILE A 50 5.413 -1.463 1.060 1.00 13.40 H new ATOM 0 HB ILE A 50 7.207 -3.754 0.135 1.00 53.42 H new ATOM 0 HG12 ILE A 50 5.444 -4.594 1.587 1.00 62.13 H new ATOM 0 HG13 ILE A 50 6.962 -4.620 2.461 1.00 62.13 H new ATOM 0 HG21 ILE A 50 8.810 -3.046 1.892 1.00 61.42 H new ATOM 0 HG22 ILE A 50 8.601 -1.807 0.632 1.00 61.42 H new ATOM 0 HG23 ILE A 50 7.809 -1.610 2.214 1.00 61.42 H new ATOM 0 HD11 ILE A 50 5.138 -3.877 3.898 1.00 12.20 H new ATOM 0 HD12 ILE A 50 6.321 -2.568 3.665 1.00 12.20 H new ATOM 0 HD13 ILE A 50 4.779 -2.541 2.778 1.00 12.20 H new ATOM 806 N GLU A 51 6.797 -1.763 -1.966 1.00 74.43 N ATOM 807 CA GLU A 51 7.588 -1.086 -3.012 1.00 22.20 C ATOM 808 C GLU A 51 6.842 0.139 -3.570 1.00 74.52 C ATOM 809 O GLU A 51 7.403 1.233 -3.634 1.00 63.12 O ATOM 810 CB GLU A 51 7.919 -2.099 -4.136 1.00 22.32 C ATOM 811 CG GLU A 51 8.911 -1.606 -5.200 1.00 3.21 C ATOM 812 CD GLU A 51 9.476 -2.748 -6.054 1.00 22.12 C ATOM 813 OE1 GLU A 51 10.477 -3.374 -5.624 1.00 61.12 O ATOM 814 OE2 GLU A 51 8.922 -3.039 -7.133 1.00 24.11 O ATOM 0 H GLU A 51 6.489 -2.699 -2.228 1.00 74.43 H new ATOM 0 HA GLU A 51 8.517 -0.721 -2.575 1.00 22.20 H new ATOM 0 HB2 GLU A 51 8.322 -3.003 -3.679 1.00 22.32 H new ATOM 0 HB3 GLU A 51 6.990 -2.380 -4.633 1.00 22.32 H new ATOM 0 HG2 GLU A 51 8.414 -0.884 -5.848 1.00 3.21 H new ATOM 0 HG3 GLU A 51 9.732 -1.082 -4.711 1.00 3.21 H new ATOM 821 N LEU A 52 5.552 -0.059 -3.908 1.00 22.42 N ATOM 822 CA LEU A 52 4.700 0.996 -4.487 1.00 33.21 C ATOM 823 C LEU A 52 4.241 2.005 -3.411 1.00 51.32 C ATOM 824 O LEU A 52 3.897 3.141 -3.749 1.00 73.05 O ATOM 825 CB LEU A 52 3.481 0.385 -5.240 1.00 73.42 C ATOM 826 CG LEU A 52 3.820 -0.572 -6.436 1.00 20.14 C ATOM 827 CD1 LEU A 52 2.533 -1.158 -7.075 1.00 14.34 C ATOM 828 CD2 LEU A 52 4.707 0.146 -7.483 1.00 41.53 C ATOM 0 H LEU A 52 5.074 -0.952 -3.787 1.00 22.42 H new ATOM 0 HA LEU A 52 5.302 1.541 -5.214 1.00 33.21 H new ATOM 0 HB2 LEU A 52 2.874 -0.165 -4.521 1.00 73.42 H new ATOM 0 HB3 LEU A 52 2.866 1.202 -5.617 1.00 73.42 H new ATOM 0 HG LEU A 52 4.391 -1.413 -6.043 1.00 20.14 H new ATOM 0 HD11 LEU A 52 2.804 -1.816 -7.900 1.00 14.34 H new ATOM 0 HD12 LEU A 52 1.980 -1.724 -6.326 1.00 14.34 H new ATOM 0 HD13 LEU A 52 1.910 -0.345 -7.449 1.00 14.34 H new ATOM 0 HD21 LEU A 52 4.929 -0.538 -8.302 1.00 41.53 H new ATOM 0 HD22 LEU A 52 4.179 1.018 -7.870 1.00 41.53 H new ATOM 0 HD23 LEU A 52 5.638 0.464 -7.014 1.00 41.53 H new ATOM 840 N ALA A 53 4.235 1.589 -2.113 1.00 64.23 N ATOM 841 CA ALA A 53 3.993 2.521 -0.986 1.00 24.14 C ATOM 842 C ALA A 53 5.168 3.511 -0.856 1.00 4.23 C ATOM 843 O ALA A 53 4.952 4.722 -0.793 1.00 13.33 O ATOM 844 CB ALA A 53 3.773 1.777 0.346 1.00 40.43 C ATOM 0 H ALA A 53 4.394 0.623 -1.828 1.00 64.23 H new ATOM 0 HA ALA A 53 3.077 3.070 -1.206 1.00 24.14 H new ATOM 0 HB1 ALA A 53 3.600 2.501 1.143 1.00 40.43 H new ATOM 0 HB2 ALA A 53 2.907 1.120 0.257 1.00 40.43 H new ATOM 0 HB3 ALA A 53 4.656 1.183 0.581 1.00 40.43 H new ATOM 850 N ARG A 54 6.410 2.966 -0.834 1.00 13.32 N ATOM 851 CA ARG A 54 7.654 3.777 -0.796 1.00 54.12 C ATOM 852 C ARG A 54 7.750 4.679 -2.040 1.00 63.22 C ATOM 853 O ARG A 54 8.199 5.826 -1.959 1.00 73.30 O ATOM 854 CB ARG A 54 8.918 2.879 -0.764 1.00 60.45 C ATOM 855 CG ARG A 54 9.016 1.885 0.406 1.00 14.03 C ATOM 856 CD ARG A 54 10.250 0.968 0.286 1.00 30.55 C ATOM 857 NE ARG A 54 10.405 0.421 -1.085 1.00 12.55 N ATOM 858 CZ ARG A 54 11.431 -0.333 -1.503 1.00 55.04 C ATOM 859 NH1 ARG A 54 12.416 -0.672 -0.676 1.00 53.32 N ATOM 860 NH2 ARG A 54 11.492 -0.689 -2.782 1.00 5.13 N ATOM 0 H ARG A 54 6.577 1.960 -0.842 1.00 13.32 H new ATOM 0 HA ARG A 54 7.609 4.379 0.112 1.00 54.12 H new ATOM 0 HB2 ARG A 54 8.962 2.316 -1.696 1.00 60.45 H new ATOM 0 HB3 ARG A 54 9.796 3.524 -0.740 1.00 60.45 H new ATOM 0 HG2 ARG A 54 9.064 2.435 1.346 1.00 14.03 H new ATOM 0 HG3 ARG A 54 8.113 1.275 0.439 1.00 14.03 H new ATOM 0 HD2 ARG A 54 11.145 1.528 0.556 1.00 30.55 H new ATOM 0 HD3 ARG A 54 10.161 0.146 0.996 1.00 30.55 H new ATOM 0 HE ARG A 54 9.673 0.636 -1.762 1.00 12.55 H new ATOM 0 HH11 ARG A 54 12.398 -0.357 0.294 1.00 53.32 H new ATOM 0 HH12 ARG A 54 13.189 -1.247 -1.012 1.00 53.32 H new ATOM 0 HH21 ARG A 54 10.764 -0.388 -3.430 1.00 5.13 H new ATOM 0 HH22 ARG A 54 12.267 -1.263 -3.115 1.00 5.13 H new ATOM 874 N ASP A 55 7.336 4.110 -3.186 1.00 0.04 N ATOM 875 CA ASP A 55 7.374 4.774 -4.494 1.00 13.11 C ATOM 876 C ASP A 55 6.390 5.957 -4.536 1.00 42.31 C ATOM 877 O ASP A 55 6.727 7.016 -5.057 1.00 73.04 O ATOM 878 CB ASP A 55 7.053 3.747 -5.617 1.00 3.15 C ATOM 879 CG ASP A 55 7.137 4.330 -7.038 1.00 35.31 C ATOM 880 OD1 ASP A 55 8.118 5.041 -7.337 1.00 34.13 O ATOM 881 OD2 ASP A 55 6.248 4.055 -7.871 1.00 23.13 O ATOM 0 H ASP A 55 6.961 3.162 -3.226 1.00 0.04 H new ATOM 0 HA ASP A 55 8.376 5.170 -4.657 1.00 13.11 H new ATOM 0 HB2 ASP A 55 7.745 2.909 -5.537 1.00 3.15 H new ATOM 0 HB3 ASP A 55 6.051 3.350 -5.457 1.00 3.15 H new ATOM 886 N CYS A 56 5.193 5.759 -3.951 1.00 3.01 N ATOM 887 CA CYS A 56 4.143 6.795 -3.876 1.00 22.42 C ATOM 888 C CYS A 56 4.553 7.917 -2.888 1.00 0.14 C ATOM 889 O CYS A 56 4.351 9.102 -3.163 1.00 15.23 O ATOM 890 CB CYS A 56 2.809 6.149 -3.454 1.00 2.31 C ATOM 891 SG CYS A 56 1.400 7.273 -3.452 1.00 73.33 S ATOM 0 H CYS A 56 4.926 4.876 -3.517 1.00 3.01 H new ATOM 0 HA CYS A 56 4.018 7.248 -4.859 1.00 22.42 H new ATOM 0 HB2 CYS A 56 2.594 5.318 -4.126 1.00 2.31 H new ATOM 0 HB3 CYS A 56 2.924 5.729 -2.455 1.00 2.31 H new ATOM 0 HG CYS A 56 0.323 6.618 -3.136 1.00 73.33 H new ATOM 897 N LEU A 57 5.163 7.501 -1.755 1.00 13.32 N ATOM 898 CA LEU A 57 5.742 8.395 -0.716 1.00 70.14 C ATOM 899 C LEU A 57 6.789 9.350 -1.341 1.00 24.41 C ATOM 900 O LEU A 57 6.755 10.573 -1.131 1.00 44.12 O ATOM 901 CB LEU A 57 6.423 7.505 0.359 1.00 41.51 C ATOM 902 CG LEU A 57 7.174 8.227 1.523 1.00 41.13 C ATOM 903 CD1 LEU A 57 6.188 8.891 2.507 1.00 4.44 C ATOM 904 CD2 LEU A 57 8.139 7.249 2.238 1.00 62.22 C ATOM 0 H LEU A 57 5.271 6.512 -1.529 1.00 13.32 H new ATOM 0 HA LEU A 57 4.953 9.001 -0.271 1.00 70.14 H new ATOM 0 HB2 LEU A 57 5.659 6.864 0.798 1.00 41.51 H new ATOM 0 HB3 LEU A 57 7.135 6.852 -0.146 1.00 41.51 H new ATOM 0 HG LEU A 57 7.775 9.029 1.095 1.00 41.13 H new ATOM 0 HD11 LEU A 57 6.745 9.384 3.304 1.00 4.44 H new ATOM 0 HD12 LEU A 57 5.585 9.628 1.976 1.00 4.44 H new ATOM 0 HD13 LEU A 57 5.536 8.131 2.937 1.00 4.44 H new ATOM 0 HD21 LEU A 57 8.653 7.770 3.046 1.00 62.22 H new ATOM 0 HD22 LEU A 57 7.572 6.413 2.648 1.00 62.22 H new ATOM 0 HD23 LEU A 57 8.872 6.874 1.524 1.00 62.22 H new ATOM 916 N THR A 58 7.706 8.732 -2.114 1.00 70.53 N ATOM 917 CA THR A 58 8.724 9.417 -2.920 1.00 61.14 C ATOM 918 C THR A 58 8.058 10.371 -3.924 1.00 4.23 C ATOM 919 O THR A 58 8.395 11.549 -3.975 1.00 30.24 O ATOM 920 CB THR A 58 9.620 8.356 -3.679 1.00 73.05 C ATOM 921 OG1 THR A 58 10.527 7.721 -2.759 1.00 51.12 O ATOM 922 CG2 THR A 58 10.422 8.942 -4.859 1.00 44.03 C ATOM 0 H THR A 58 7.756 7.716 -2.193 1.00 70.53 H new ATOM 0 HA THR A 58 9.361 10.003 -2.257 1.00 61.14 H new ATOM 0 HB THR A 58 8.924 7.630 -4.100 1.00 73.05 H new ATOM 0 HG1 THR A 58 10.062 6.998 -2.288 1.00 51.12 H new ATOM 0 HG21 THR A 58 11.010 8.153 -5.327 1.00 44.03 H new ATOM 0 HG22 THR A 58 9.735 9.365 -5.592 1.00 44.03 H new ATOM 0 HG23 THR A 58 11.089 9.723 -4.494 1.00 44.03 H new ATOM 930 N LYS A 59 7.061 9.836 -4.649 1.00 13.52 N ATOM 931 CA LYS A 59 6.421 10.502 -5.795 1.00 64.44 C ATOM 932 C LYS A 59 5.635 11.759 -5.347 1.00 44.41 C ATOM 933 O LYS A 59 5.467 12.700 -6.128 1.00 53.14 O ATOM 934 CB LYS A 59 5.477 9.500 -6.522 1.00 63.52 C ATOM 935 CG LYS A 59 5.287 9.745 -8.050 1.00 71.24 C ATOM 936 CD LYS A 59 6.347 9.022 -8.914 1.00 73.12 C ATOM 937 CE LYS A 59 6.234 7.499 -8.785 1.00 11.52 C ATOM 938 NZ LYS A 59 7.206 6.784 -9.642 1.00 44.33 N ATOM 0 H LYS A 59 6.671 8.914 -4.452 1.00 13.52 H new ATOM 0 HA LYS A 59 7.200 10.828 -6.484 1.00 64.44 H new ATOM 0 HB2 LYS A 59 5.866 8.492 -6.379 1.00 63.52 H new ATOM 0 HB3 LYS A 59 4.499 9.535 -6.042 1.00 63.52 H new ATOM 0 HG2 LYS A 59 4.294 9.408 -8.346 1.00 71.24 H new ATOM 0 HG3 LYS A 59 5.333 10.816 -8.249 1.00 71.24 H new ATOM 0 HD2 LYS A 59 6.224 9.310 -9.958 1.00 73.12 H new ATOM 0 HD3 LYS A 59 7.344 9.341 -8.610 1.00 73.12 H new ATOM 0 HE2 LYS A 59 6.392 7.213 -7.745 1.00 11.52 H new ATOM 0 HE3 LYS A 59 5.223 7.189 -9.051 1.00 11.52 H new ATOM 0 HZ1 LYS A 59 6.703 6.324 -10.428 1.00 44.33 H new ATOM 0 HZ2 LYS A 59 7.898 7.461 -10.022 1.00 44.33 H new ATOM 0 HZ3 LYS A 59 7.701 6.063 -9.079 1.00 44.33 H new ATOM 952 N SER A 60 5.140 11.739 -4.089 1.00 2.23 N ATOM 953 CA SER A 60 4.450 12.889 -3.467 1.00 21.44 C ATOM 954 C SER A 60 5.415 14.071 -3.270 1.00 71.21 C ATOM 955 O SER A 60 5.121 15.197 -3.669 1.00 30.52 O ATOM 956 CB SER A 60 3.852 12.483 -2.105 1.00 14.31 C ATOM 957 OG SER A 60 2.877 11.469 -2.248 1.00 42.44 O ATOM 0 H SER A 60 5.208 10.925 -3.478 1.00 2.23 H new ATOM 0 HA SER A 60 3.648 13.199 -4.137 1.00 21.44 H new ATOM 0 HB2 SER A 60 4.648 12.134 -1.447 1.00 14.31 H new ATOM 0 HB3 SER A 60 3.404 13.355 -1.629 1.00 14.31 H new ATOM 0 HG SER A 60 3.306 10.644 -2.556 1.00 42.44 H new ATOM 963 N ARG A 61 6.582 13.781 -2.663 1.00 71.43 N ATOM 964 CA ARG A 61 7.624 14.796 -2.376 1.00 54.23 C ATOM 965 C ARG A 61 8.479 15.077 -3.633 1.00 13.41 C ATOM 966 O ARG A 61 9.306 15.994 -3.644 1.00 13.34 O ATOM 967 CB ARG A 61 8.511 14.329 -1.196 1.00 63.24 C ATOM 968 CG ARG A 61 7.731 13.924 0.082 1.00 12.22 C ATOM 969 CD ARG A 61 8.650 13.677 1.294 1.00 52.31 C ATOM 970 NE ARG A 61 9.717 12.697 1.012 1.00 33.10 N ATOM 971 CZ ARG A 61 10.585 12.223 1.918 1.00 14.34 C ATOM 972 NH1 ARG A 61 10.532 12.610 3.193 1.00 22.42 N ATOM 973 NH2 ARG A 61 11.532 11.382 1.518 1.00 24.04 N ATOM 0 H ARG A 61 6.832 12.841 -2.357 1.00 71.43 H new ATOM 0 HA ARG A 61 7.134 15.728 -2.093 1.00 54.23 H new ATOM 0 HB2 ARG A 61 9.110 13.479 -1.524 1.00 63.24 H new ATOM 0 HB3 ARG A 61 9.206 15.130 -0.943 1.00 63.24 H new ATOM 0 HG2 ARG A 61 7.016 14.709 0.329 1.00 12.22 H new ATOM 0 HG3 ARG A 61 7.155 13.021 -0.121 1.00 12.22 H new ATOM 0 HD2 ARG A 61 9.101 14.621 1.600 1.00 52.31 H new ATOM 0 HD3 ARG A 61 8.050 13.323 2.133 1.00 52.31 H new ATOM 0 HE ARG A 61 9.801 12.354 0.055 1.00 33.10 H new ATOM 0 HH11 ARG A 61 9.822 13.278 3.494 1.00 22.42 H new ATOM 0 HH12 ARG A 61 11.201 12.238 3.867 1.00 22.42 H new ATOM 0 HH21 ARG A 61 11.590 11.108 0.537 1.00 24.04 H new ATOM 0 HH22 ARG A 61 12.202 11.010 2.192 1.00 24.04 H new ATOM 987 N ASP A 62 8.285 14.242 -4.665 1.00 13.15 N ATOM 988 CA ASP A 62 8.843 14.445 -6.015 1.00 20.03 C ATOM 989 C ASP A 62 7.892 15.363 -6.818 1.00 72.43 C ATOM 990 O ASP A 62 8.288 15.968 -7.819 1.00 34.24 O ATOM 991 CB ASP A 62 9.016 13.066 -6.721 1.00 65.35 C ATOM 992 CG ASP A 62 9.900 13.120 -7.977 1.00 51.33 C ATOM 993 OD1 ASP A 62 11.142 13.119 -7.834 1.00 62.02 O ATOM 994 OD2 ASP A 62 9.372 13.166 -9.106 1.00 52.25 O ATOM 0 H ASP A 62 7.727 13.392 -4.586 1.00 13.15 H new ATOM 0 HA ASP A 62 9.822 14.921 -5.952 1.00 20.03 H new ATOM 0 HB2 ASP A 62 9.448 12.358 -6.014 1.00 65.35 H new ATOM 0 HB3 ASP A 62 8.033 12.683 -6.996 1.00 65.35 H new ATOM 999 N GLY A 63 6.616 15.429 -6.350 1.00 52.20 N ATOM 1000 CA GLY A 63 5.565 16.271 -6.941 1.00 41.03 C ATOM 1001 C GLY A 63 4.903 15.646 -8.161 1.00 21.21 C ATOM 1002 O GLY A 63 3.937 16.204 -8.702 1.00 53.24 O ATOM 0 H GLY A 63 6.296 14.891 -5.545 1.00 52.20 H new ATOM 0 HA2 GLY A 63 4.804 16.472 -6.187 1.00 41.03 H new ATOM 0 HA3 GLY A 63 5.996 17.232 -7.223 1.00 41.03 H new ATOM 1006 N LEU A 64 5.402 14.469 -8.574 1.00 35.22 N ATOM 1007 CA LEU A 64 5.067 13.854 -9.866 1.00 21.25 C ATOM 1008 C LEU A 64 3.815 12.949 -9.781 1.00 51.14 C ATOM 1009 O LEU A 64 3.416 12.335 -10.785 1.00 44.23 O ATOM 1010 CB LEU A 64 6.327 13.109 -10.395 1.00 11.41 C ATOM 1011 CG LEU A 64 6.279 12.589 -11.889 1.00 33.43 C ATOM 1012 CD1 LEU A 64 7.547 12.965 -12.682 1.00 45.02 C ATOM 1013 CD2 LEU A 64 6.022 11.065 -11.951 1.00 12.45 C ATOM 0 H LEU A 64 6.053 13.916 -8.017 1.00 35.22 H new ATOM 0 HA LEU A 64 4.792 14.630 -10.581 1.00 21.25 H new ATOM 0 HB2 LEU A 64 7.182 13.777 -10.296 1.00 11.41 H new ATOM 0 HB3 LEU A 64 6.513 12.254 -9.745 1.00 11.41 H new ATOM 0 HG LEU A 64 5.439 13.094 -12.366 1.00 33.43 H new ATOM 0 HD11 LEU A 64 7.465 12.586 -13.701 1.00 45.02 H new ATOM 0 HD12 LEU A 64 7.653 14.050 -12.706 1.00 45.02 H new ATOM 0 HD13 LEU A 64 8.421 12.526 -12.201 1.00 45.02 H new ATOM 0 HD21 LEU A 64 5.995 10.743 -12.992 1.00 12.45 H new ATOM 0 HD22 LEU A 64 6.822 10.540 -11.429 1.00 12.45 H new ATOM 0 HD23 LEU A 64 5.068 10.837 -11.476 1.00 12.45 H new ATOM 1025 N ILE A 65 3.168 12.869 -8.596 1.00 21.51 N ATOM 1026 CA ILE A 65 1.830 12.250 -8.503 1.00 51.31 C ATOM 1027 C ILE A 65 0.804 13.134 -9.234 1.00 43.24 C ATOM 1028 O ILE A 65 0.342 14.147 -8.703 1.00 5.54 O ATOM 1029 CB ILE A 65 1.331 11.941 -7.022 1.00 1.32 C ATOM 1030 CG1 ILE A 65 2.234 10.856 -6.367 1.00 22.12 C ATOM 1031 CG2 ILE A 65 -0.151 11.470 -6.991 1.00 34.22 C ATOM 1032 CD1 ILE A 65 1.790 10.365 -5.001 1.00 60.04 C ATOM 0 H ILE A 65 3.541 13.216 -7.712 1.00 21.51 H new ATOM 0 HA ILE A 65 1.920 11.275 -8.981 1.00 51.31 H new ATOM 0 HB ILE A 65 1.399 12.871 -6.458 1.00 1.32 H new ATOM 0 HG12 ILE A 65 2.288 10.000 -7.040 1.00 22.12 H new ATOM 0 HG13 ILE A 65 3.244 11.256 -6.278 1.00 22.12 H new ATOM 0 HG21 ILE A 65 -0.448 11.271 -5.961 1.00 34.22 H new ATOM 0 HG22 ILE A 65 -0.789 12.249 -7.409 1.00 34.22 H new ATOM 0 HG23 ILE A 65 -0.256 10.560 -7.581 1.00 34.22 H new ATOM 0 HD11 ILE A 65 2.491 9.612 -4.640 1.00 60.04 H new ATOM 0 HD12 ILE A 65 1.765 11.202 -4.304 1.00 60.04 H new ATOM 0 HD13 ILE A 65 0.795 9.927 -5.078 1.00 60.04 H new ATOM 1044 N THR A 66 0.542 12.784 -10.500 1.00 12.45 N ATOM 1045 CA THR A 66 -0.688 13.173 -11.183 1.00 33.05 C ATOM 1046 C THR A 66 -1.832 12.420 -10.493 1.00 71.04 C ATOM 1047 O THR A 66 -1.646 11.259 -10.121 1.00 14.23 O ATOM 1048 CB THR A 66 -0.619 12.832 -12.706 1.00 63.22 C ATOM 1049 OG1 THR A 66 -0.121 11.490 -12.879 1.00 52.21 O ATOM 1050 CG2 THR A 66 0.290 13.818 -13.460 1.00 22.00 C ATOM 0 H THR A 66 1.176 12.226 -11.073 1.00 12.45 H new ATOM 0 HA THR A 66 -0.843 14.250 -11.120 1.00 33.05 H new ATOM 0 HB THR A 66 -1.625 12.913 -13.117 1.00 63.22 H new ATOM 0 HG1 THR A 66 -0.080 11.277 -13.835 1.00 52.21 H new ATOM 0 HG21 THR A 66 0.316 13.553 -14.517 1.00 22.00 H new ATOM 0 HG22 THR A 66 -0.100 14.830 -13.349 1.00 22.00 H new ATOM 0 HG23 THR A 66 1.298 13.771 -13.049 1.00 22.00 H new ATOM 1058 N THR A 67 -2.991 13.075 -10.353 1.00 25.43 N ATOM 1059 CA THR A 67 -4.063 12.697 -9.402 1.00 31.11 C ATOM 1060 C THR A 67 -4.494 11.198 -9.494 1.00 30.43 C ATOM 1061 O THR A 67 -4.857 10.593 -8.478 1.00 11.32 O ATOM 1062 CB THR A 67 -5.298 13.643 -9.608 1.00 62.32 C ATOM 1063 OG1 THR A 67 -4.855 15.015 -9.657 1.00 20.14 O ATOM 1064 CG2 THR A 67 -6.356 13.499 -8.496 1.00 20.34 C ATOM 0 H THR A 67 -3.222 13.901 -10.905 1.00 25.43 H new ATOM 0 HA THR A 67 -3.654 12.819 -8.399 1.00 31.11 H new ATOM 0 HB THR A 67 -5.766 13.350 -10.548 1.00 62.32 H new ATOM 0 HG1 THR A 67 -5.628 15.604 -9.787 1.00 20.14 H new ATOM 0 HG21 THR A 67 -7.186 14.178 -8.693 1.00 20.34 H new ATOM 0 HG22 THR A 67 -6.724 12.473 -8.474 1.00 20.34 H new ATOM 0 HG23 THR A 67 -5.908 13.744 -7.533 1.00 20.34 H new ATOM 1072 N VAL A 68 -4.371 10.608 -10.706 1.00 51.13 N ATOM 1073 CA VAL A 68 -4.734 9.197 -10.994 1.00 63.24 C ATOM 1074 C VAL A 68 -3.947 8.184 -10.117 1.00 62.24 C ATOM 1075 O VAL A 68 -4.480 7.140 -9.768 1.00 1.44 O ATOM 1076 CB VAL A 68 -4.481 8.855 -12.517 1.00 74.21 C ATOM 1077 CG1 VAL A 68 -4.910 7.403 -12.866 1.00 44.03 C ATOM 1078 CG2 VAL A 68 -5.184 9.882 -13.436 1.00 33.12 C ATOM 0 H VAL A 68 -4.013 11.103 -11.523 1.00 51.13 H new ATOM 0 HA VAL A 68 -5.793 9.102 -10.756 1.00 63.24 H new ATOM 0 HB VAL A 68 -3.407 8.921 -12.691 1.00 74.21 H new ATOM 0 HG11 VAL A 68 -4.719 7.211 -13.922 1.00 44.03 H new ATOM 0 HG12 VAL A 68 -4.339 6.699 -12.260 1.00 44.03 H new ATOM 0 HG13 VAL A 68 -5.973 7.279 -12.661 1.00 44.03 H new ATOM 0 HG21 VAL A 68 -4.996 9.626 -14.479 1.00 33.12 H new ATOM 0 HG22 VAL A 68 -6.257 9.865 -13.246 1.00 33.12 H new ATOM 0 HG23 VAL A 68 -4.795 10.879 -13.231 1.00 33.12 H new ATOM 1088 N TYR A 69 -2.706 8.544 -9.740 1.00 11.21 N ATOM 1089 CA TYR A 69 -1.711 7.613 -9.157 1.00 44.53 C ATOM 1090 C TYR A 69 -2.174 7.002 -7.818 1.00 51.24 C ATOM 1091 O TYR A 69 -1.917 5.830 -7.552 1.00 31.23 O ATOM 1092 CB TYR A 69 -0.344 8.331 -8.964 1.00 42.45 C ATOM 1093 CG TYR A 69 0.856 7.384 -9.065 1.00 4.32 C ATOM 1094 CD1 TYR A 69 1.148 6.773 -10.286 1.00 45.34 C ATOM 1095 CD2 TYR A 69 1.694 7.108 -7.980 1.00 65.44 C ATOM 1096 CE1 TYR A 69 2.217 5.928 -10.424 1.00 3.11 C ATOM 1097 CE2 TYR A 69 2.771 6.250 -8.118 1.00 22.33 C ATOM 1098 CZ TYR A 69 3.026 5.669 -9.349 1.00 70.32 C ATOM 1099 OH TYR A 69 4.105 4.831 -9.514 1.00 10.42 O ATOM 0 H TYR A 69 -2.358 9.499 -9.831 1.00 11.21 H new ATOM 0 HA TYR A 69 -1.601 6.792 -9.865 1.00 44.53 H new ATOM 0 HB2 TYR A 69 -0.244 9.115 -9.715 1.00 42.45 H new ATOM 0 HB3 TYR A 69 -0.332 8.819 -7.990 1.00 42.45 H new ATOM 0 HD1 TYR A 69 0.517 6.971 -11.140 1.00 45.34 H new ATOM 0 HD2 TYR A 69 1.498 7.570 -7.023 1.00 65.44 H new ATOM 0 HE1 TYR A 69 2.422 5.467 -11.379 1.00 3.11 H new ATOM 0 HE2 TYR A 69 3.408 6.035 -7.272 1.00 22.33 H new ATOM 0 HH TYR A 69 4.641 4.823 -8.694 1.00 10.42 H new ATOM 1109 N PHE A 70 -2.852 7.822 -6.986 1.00 73.05 N ATOM 1110 CA PHE A 70 -3.423 7.374 -5.697 1.00 1.52 C ATOM 1111 C PHE A 70 -4.571 6.376 -5.918 1.00 10.44 C ATOM 1112 O PHE A 70 -4.648 5.354 -5.232 1.00 13.10 O ATOM 1113 CB PHE A 70 -3.901 8.582 -4.836 1.00 2.31 C ATOM 1114 CG PHE A 70 -2.783 9.261 -4.028 1.00 4.11 C ATOM 1115 CD1 PHE A 70 -2.008 8.517 -3.140 1.00 1.54 C ATOM 1116 CD2 PHE A 70 -2.529 10.629 -4.126 1.00 31.35 C ATOM 1117 CE1 PHE A 70 -1.018 9.112 -2.382 1.00 5.41 C ATOM 1118 CE2 PHE A 70 -1.537 11.223 -3.359 1.00 33.23 C ATOM 1119 CZ PHE A 70 -0.785 10.465 -2.486 1.00 33.11 C ATOM 0 H PHE A 70 -3.018 8.808 -7.187 1.00 73.05 H new ATOM 0 HA PHE A 70 -2.631 6.865 -5.148 1.00 1.52 H new ATOM 0 HB2 PHE A 70 -4.361 9.322 -5.491 1.00 2.31 H new ATOM 0 HB3 PHE A 70 -4.675 8.240 -4.149 1.00 2.31 H new ATOM 0 HD1 PHE A 70 -2.185 7.456 -3.043 1.00 1.54 H new ATOM 0 HD2 PHE A 70 -3.111 11.233 -4.807 1.00 31.35 H new ATOM 0 HE1 PHE A 70 -0.425 8.514 -1.706 1.00 5.41 H new ATOM 0 HE2 PHE A 70 -1.353 12.284 -3.446 1.00 33.23 H new ATOM 0 HZ PHE A 70 -0.017 10.931 -1.887 1.00 33.11 H new ATOM 1129 N TYR A 71 -5.436 6.677 -6.906 1.00 2.14 N ATOM 1130 CA TYR A 71 -6.572 5.808 -7.271 1.00 22.04 C ATOM 1131 C TYR A 71 -6.056 4.480 -7.855 1.00 50.45 C ATOM 1132 O TYR A 71 -6.600 3.424 -7.572 1.00 64.41 O ATOM 1133 CB TYR A 71 -7.499 6.502 -8.303 1.00 63.10 C ATOM 1134 CG TYR A 71 -7.922 7.929 -7.925 1.00 60.11 C ATOM 1135 CD1 TYR A 71 -8.509 8.211 -6.685 1.00 5.21 C ATOM 1136 CD2 TYR A 71 -7.740 8.995 -8.811 1.00 20.01 C ATOM 1137 CE1 TYR A 71 -8.895 9.498 -6.354 1.00 30.55 C ATOM 1138 CE2 TYR A 71 -8.126 10.276 -8.481 1.00 71.25 C ATOM 1139 CZ TYR A 71 -8.697 10.525 -7.255 1.00 52.33 C ATOM 1140 OH TYR A 71 -9.077 11.805 -6.925 1.00 34.02 O ATOM 0 H TYR A 71 -5.368 7.524 -7.470 1.00 2.14 H new ATOM 0 HA TYR A 71 -7.147 5.611 -6.366 1.00 22.04 H new ATOM 0 HB2 TYR A 71 -6.990 6.531 -9.267 1.00 63.10 H new ATOM 0 HB3 TYR A 71 -8.394 5.894 -8.434 1.00 63.10 H new ATOM 0 HD1 TYR A 71 -8.663 7.411 -5.976 1.00 5.21 H new ATOM 0 HD2 TYR A 71 -7.287 8.811 -9.774 1.00 20.01 H new ATOM 0 HE1 TYR A 71 -9.349 9.698 -5.395 1.00 30.55 H new ATOM 0 HE2 TYR A 71 -7.980 11.083 -9.184 1.00 71.25 H new ATOM 0 HH TYR A 71 -8.868 12.410 -7.667 1.00 34.02 H new ATOM 1150 N GLU A 72 -4.972 4.589 -8.649 1.00 63.43 N ATOM 1151 CA GLU A 72 -4.279 3.459 -9.278 1.00 60.12 C ATOM 1152 C GLU A 72 -3.601 2.601 -8.213 1.00 10.34 C ATOM 1153 O GLU A 72 -3.550 1.388 -8.347 1.00 72.33 O ATOM 1154 CB GLU A 72 -3.225 3.979 -10.296 1.00 73.03 C ATOM 1155 CG GLU A 72 -2.348 2.877 -10.936 1.00 15.42 C ATOM 1156 CD GLU A 72 -1.316 3.420 -11.930 1.00 72.41 C ATOM 1157 OE1 GLU A 72 -0.212 3.812 -11.495 1.00 64.20 O ATOM 1158 OE2 GLU A 72 -1.602 3.457 -13.154 1.00 71.04 O ATOM 0 H GLU A 72 -4.548 5.489 -8.873 1.00 63.43 H new ATOM 0 HA GLU A 72 -5.010 2.849 -9.809 1.00 60.12 H new ATOM 0 HB2 GLU A 72 -3.741 4.520 -11.089 1.00 73.03 H new ATOM 0 HB3 GLU A 72 -2.575 4.695 -9.792 1.00 73.03 H new ATOM 0 HG2 GLU A 72 -1.830 2.332 -10.147 1.00 15.42 H new ATOM 0 HG3 GLU A 72 -2.992 2.162 -11.447 1.00 15.42 H new ATOM 1165 N LEU A 73 -3.081 3.258 -7.155 1.00 1.45 N ATOM 1166 CA LEU A 73 -2.449 2.568 -6.018 1.00 34.14 C ATOM 1167 C LEU A 73 -3.502 1.721 -5.275 1.00 51.34 C ATOM 1168 O LEU A 73 -3.304 0.529 -5.084 1.00 64.55 O ATOM 1169 CB LEU A 73 -1.722 3.582 -5.057 1.00 34.22 C ATOM 1170 CG LEU A 73 -0.188 3.328 -4.836 1.00 73.34 C ATOM 1171 CD1 LEU A 73 0.074 1.935 -4.189 1.00 12.11 C ATOM 1172 CD2 LEU A 73 0.604 3.508 -6.165 1.00 32.42 C ATOM 0 H LEU A 73 -3.089 4.274 -7.068 1.00 1.45 H new ATOM 0 HA LEU A 73 -1.677 1.899 -6.398 1.00 34.14 H new ATOM 0 HB2 LEU A 73 -1.852 4.588 -5.455 1.00 34.22 H new ATOM 0 HB3 LEU A 73 -2.219 3.556 -4.087 1.00 34.22 H new ATOM 0 HG LEU A 73 0.176 4.077 -4.133 1.00 73.34 H new ATOM 0 HD11 LEU A 73 1.146 1.794 -4.051 1.00 12.11 H new ATOM 0 HD12 LEU A 73 -0.426 1.883 -3.222 1.00 12.11 H new ATOM 0 HD13 LEU A 73 -0.314 1.152 -4.841 1.00 12.11 H new ATOM 0 HD21 LEU A 73 1.664 3.327 -5.985 1.00 32.42 H new ATOM 0 HD22 LEU A 73 0.236 2.799 -6.907 1.00 32.42 H new ATOM 0 HD23 LEU A 73 0.468 4.524 -6.535 1.00 32.42 H new ATOM 1184 N GLN A 74 -4.644 2.355 -4.934 1.00 33.02 N ATOM 1185 CA GLN A 74 -5.792 1.690 -4.252 1.00 64.30 C ATOM 1186 C GLN A 74 -6.354 0.513 -5.092 1.00 60.32 C ATOM 1187 O GLN A 74 -6.632 -0.565 -4.564 1.00 21.32 O ATOM 1188 CB GLN A 74 -6.927 2.724 -4.001 1.00 54.23 C ATOM 1189 CG GLN A 74 -6.529 3.935 -3.127 1.00 42.51 C ATOM 1190 CD GLN A 74 -7.509 5.119 -3.235 1.00 71.41 C ATOM 1191 OE1 GLN A 74 -8.150 5.321 -4.264 1.00 13.43 O ATOM 1192 NE2 GLN A 74 -7.621 5.922 -2.188 1.00 10.04 N ATOM 0 H GLN A 74 -4.803 3.345 -5.121 1.00 33.02 H new ATOM 0 HA GLN A 74 -5.428 1.292 -3.305 1.00 64.30 H new ATOM 0 HB2 GLN A 74 -7.282 3.092 -4.964 1.00 54.23 H new ATOM 0 HB3 GLN A 74 -7.765 2.213 -3.526 1.00 54.23 H new ATOM 0 HG2 GLN A 74 -6.468 3.617 -2.086 1.00 42.51 H new ATOM 0 HG3 GLN A 74 -5.533 4.270 -3.416 1.00 42.51 H new ATOM 0 HE21 GLN A 74 -7.080 5.737 -1.343 1.00 10.04 H new ATOM 0 HE22 GLN A 74 -8.248 6.726 -2.226 1.00 10.04 H new ATOM 1201 N GLU A 75 -6.496 0.761 -6.409 1.00 43.23 N ATOM 1202 CA GLU A 75 -7.098 -0.173 -7.389 1.00 45.41 C ATOM 1203 C GLU A 75 -6.170 -1.389 -7.597 1.00 53.43 C ATOM 1204 O GLU A 75 -6.634 -2.528 -7.651 1.00 2.24 O ATOM 1205 CB GLU A 75 -7.360 0.616 -8.719 1.00 15.31 C ATOM 1206 CG GLU A 75 -8.456 0.057 -9.667 1.00 1.51 C ATOM 1207 CD GLU A 75 -7.984 -1.072 -10.602 1.00 74.42 C ATOM 1208 OE1 GLU A 75 -7.374 -0.761 -11.654 1.00 43.51 O ATOM 1209 OE2 GLU A 75 -8.223 -2.262 -10.300 1.00 50.32 O ATOM 0 H GLU A 75 -6.189 1.636 -6.834 1.00 43.23 H new ATOM 0 HA GLU A 75 -8.048 -0.564 -7.026 1.00 45.41 H new ATOM 0 HB2 GLU A 75 -7.628 1.640 -8.458 1.00 15.31 H new ATOM 0 HB3 GLU A 75 -6.424 0.663 -9.275 1.00 15.31 H new ATOM 0 HG2 GLU A 75 -9.285 -0.312 -9.064 1.00 1.51 H new ATOM 0 HG3 GLU A 75 -8.843 0.875 -10.274 1.00 1.51 H new ATOM 1216 N ASN A 76 -4.849 -1.102 -7.664 1.00 41.22 N ATOM 1217 CA ASN A 76 -3.765 -2.116 -7.688 1.00 54.33 C ATOM 1218 C ASN A 76 -3.826 -2.998 -6.433 1.00 75.33 C ATOM 1219 O ASN A 76 -3.811 -4.223 -6.528 1.00 64.13 O ATOM 1220 CB ASN A 76 -2.362 -1.405 -7.821 1.00 73.32 C ATOM 1221 CG ASN A 76 -1.167 -2.165 -7.209 1.00 23.23 C ATOM 1222 OD1 ASN A 76 -0.564 -3.023 -7.843 1.00 52.33 O ATOM 1223 ND2 ASN A 76 -0.822 -1.851 -5.960 1.00 40.31 N ATOM 0 H ASN A 76 -4.499 -0.145 -7.704 1.00 41.22 H new ATOM 0 HA ASN A 76 -3.903 -2.762 -8.555 1.00 54.33 H new ATOM 0 HB2 ASN A 76 -2.159 -1.237 -8.879 1.00 73.32 H new ATOM 0 HB3 ASN A 76 -2.426 -0.425 -7.349 1.00 73.32 H new ATOM 0 HD21 ASN A 76 -0.040 -2.329 -5.511 1.00 40.31 H new ATOM 0 HD22 ASN A 76 -1.340 -1.133 -5.453 1.00 40.31 H new ATOM 1230 N LEU A 77 -3.927 -2.336 -5.272 1.00 1.13 N ATOM 1231 CA LEU A 77 -3.885 -2.989 -3.960 1.00 22.14 C ATOM 1232 C LEU A 77 -5.101 -3.914 -3.745 1.00 61.22 C ATOM 1233 O LEU A 77 -4.936 -5.009 -3.216 1.00 31.31 O ATOM 1234 CB LEU A 77 -3.793 -1.915 -2.835 1.00 3.41 C ATOM 1235 CG LEU A 77 -2.429 -1.162 -2.676 1.00 14.24 C ATOM 1236 CD1 LEU A 77 -2.492 -0.133 -1.517 1.00 2.12 C ATOM 1237 CD2 LEU A 77 -1.265 -2.160 -2.505 1.00 15.40 C ATOM 0 H LEU A 77 -4.041 -1.324 -5.219 1.00 1.13 H new ATOM 0 HA LEU A 77 -2.995 -3.617 -3.921 1.00 22.14 H new ATOM 0 HB2 LEU A 77 -4.571 -1.172 -3.012 1.00 3.41 H new ATOM 0 HB3 LEU A 77 -4.025 -2.399 -1.886 1.00 3.41 H new ATOM 0 HG LEU A 77 -2.239 -0.601 -3.591 1.00 14.24 H new ATOM 0 HD11 LEU A 77 -1.532 0.375 -1.429 1.00 2.12 H new ATOM 0 HD12 LEU A 77 -3.273 0.599 -1.723 1.00 2.12 H new ATOM 0 HD13 LEU A 77 -2.716 -0.650 -0.584 1.00 2.12 H new ATOM 0 HD21 LEU A 77 -0.329 -1.612 -2.397 1.00 15.40 H new ATOM 0 HD22 LEU A 77 -1.435 -2.768 -1.616 1.00 15.40 H new ATOM 0 HD23 LEU A 77 -1.208 -2.806 -3.381 1.00 15.40 H new ATOM 1249 N GLU A 78 -6.313 -3.466 -4.153 1.00 24.01 N ATOM 1250 CA GLU A 78 -7.560 -4.255 -3.986 1.00 42.43 C ATOM 1251 C GLU A 78 -7.756 -5.289 -5.111 1.00 72.52 C ATOM 1252 O GLU A 78 -8.471 -6.284 -4.917 1.00 73.43 O ATOM 1253 CB GLU A 78 -8.797 -3.330 -3.767 1.00 44.22 C ATOM 1254 CG GLU A 78 -8.776 -2.638 -2.374 1.00 51.40 C ATOM 1255 CD GLU A 78 -10.014 -1.795 -2.020 1.00 21.31 C ATOM 1256 OE1 GLU A 78 -10.175 -0.697 -2.587 1.00 11.41 O ATOM 1257 OE2 GLU A 78 -10.804 -2.204 -1.132 1.00 14.02 O ATOM 0 H GLU A 78 -6.454 -2.561 -4.601 1.00 24.01 H new ATOM 0 HA GLU A 78 -7.456 -4.843 -3.074 1.00 42.43 H new ATOM 0 HB2 GLU A 78 -8.822 -2.570 -4.548 1.00 44.22 H new ATOM 0 HB3 GLU A 78 -9.710 -3.918 -3.865 1.00 44.22 H new ATOM 0 HG2 GLU A 78 -8.654 -3.406 -1.611 1.00 51.40 H new ATOM 0 HG3 GLU A 78 -7.897 -1.996 -2.323 1.00 51.40 H new ATOM 1264 N LYS A 79 -7.089 -5.074 -6.268 1.00 65.24 N ATOM 1265 CA LYS A 79 -6.952 -6.111 -7.315 1.00 1.13 C ATOM 1266 C LYS A 79 -6.160 -7.298 -6.736 1.00 72.05 C ATOM 1267 O LYS A 79 -6.669 -8.421 -6.668 1.00 62.23 O ATOM 1268 CB LYS A 79 -6.249 -5.517 -8.577 1.00 13.35 C ATOM 1269 CG LYS A 79 -5.746 -6.541 -9.634 1.00 42.43 C ATOM 1270 CD LYS A 79 -6.864 -7.463 -10.184 1.00 22.01 C ATOM 1271 CE LYS A 79 -6.364 -8.445 -11.256 1.00 21.52 C ATOM 1272 NZ LYS A 79 -7.404 -9.449 -11.600 1.00 63.03 N ATOM 0 H LYS A 79 -6.637 -4.190 -6.500 1.00 65.24 H new ATOM 0 HA LYS A 79 -7.936 -6.461 -7.626 1.00 1.13 H new ATOM 0 HB2 LYS A 79 -6.944 -4.835 -9.066 1.00 13.35 H new ATOM 0 HB3 LYS A 79 -5.398 -4.922 -8.246 1.00 13.35 H new ATOM 0 HG2 LYS A 79 -5.291 -6.000 -10.464 1.00 42.43 H new ATOM 0 HG3 LYS A 79 -4.965 -7.157 -9.188 1.00 42.43 H new ATOM 0 HD2 LYS A 79 -7.300 -8.026 -9.359 1.00 22.01 H new ATOM 0 HD3 LYS A 79 -7.659 -6.848 -10.606 1.00 22.01 H new ATOM 0 HE2 LYS A 79 -6.078 -7.893 -12.152 1.00 21.52 H new ATOM 0 HE3 LYS A 79 -5.470 -8.954 -10.896 1.00 21.52 H new ATOM 0 HZ1 LYS A 79 -7.035 -10.096 -12.326 1.00 63.03 H new ATOM 0 HZ2 LYS A 79 -7.658 -9.991 -10.750 1.00 63.03 H new ATOM 0 HZ3 LYS A 79 -8.248 -8.963 -11.966 1.00 63.03 H new ATOM 1286 N LEU A 80 -4.942 -6.992 -6.259 1.00 52.32 N ATOM 1287 CA LEU A 80 -4.030 -7.967 -5.646 1.00 5.31 C ATOM 1288 C LEU A 80 -4.661 -8.589 -4.382 1.00 51.10 C ATOM 1289 O LEU A 80 -4.470 -9.767 -4.113 1.00 33.10 O ATOM 1290 CB LEU A 80 -2.696 -7.267 -5.285 1.00 24.32 C ATOM 1291 CG LEU A 80 -1.862 -6.689 -6.475 1.00 54.23 C ATOM 1292 CD1 LEU A 80 -0.654 -5.877 -5.957 1.00 65.22 C ATOM 1293 CD2 LEU A 80 -1.425 -7.808 -7.448 1.00 11.23 C ATOM 0 H LEU A 80 -4.560 -6.047 -6.290 1.00 52.32 H new ATOM 0 HA LEU A 80 -3.840 -8.769 -6.360 1.00 5.31 H new ATOM 0 HB2 LEU A 80 -2.915 -6.452 -4.595 1.00 24.32 H new ATOM 0 HB3 LEU A 80 -2.072 -7.981 -4.747 1.00 24.32 H new ATOM 0 HG LEU A 80 -2.500 -6.007 -7.036 1.00 54.23 H new ATOM 0 HD11 LEU A 80 -0.089 -5.485 -6.803 1.00 65.22 H new ATOM 0 HD12 LEU A 80 -1.008 -5.049 -5.343 1.00 65.22 H new ATOM 0 HD13 LEU A 80 -0.011 -6.523 -5.359 1.00 65.22 H new ATOM 0 HD21 LEU A 80 -0.847 -7.375 -8.265 1.00 11.23 H new ATOM 0 HD22 LEU A 80 -0.812 -8.535 -6.915 1.00 11.23 H new ATOM 0 HD23 LEU A 80 -2.308 -8.304 -7.851 1.00 11.23 H new ATOM 1305 N LEU A 81 -5.421 -7.763 -3.634 1.00 63.31 N ATOM 1306 CA LEU A 81 -6.149 -8.182 -2.418 1.00 41.34 C ATOM 1307 C LEU A 81 -7.185 -9.272 -2.734 1.00 43.22 C ATOM 1308 O LEU A 81 -7.254 -10.298 -2.046 1.00 74.44 O ATOM 1309 CB LEU A 81 -6.885 -6.974 -1.795 1.00 15.24 C ATOM 1310 CG LEU A 81 -7.824 -7.280 -0.584 1.00 50.02 C ATOM 1311 CD1 LEU A 81 -7.032 -7.532 0.706 1.00 64.13 C ATOM 1312 CD2 LEU A 81 -8.903 -6.195 -0.414 1.00 13.35 C ATOM 0 H LEU A 81 -5.548 -6.776 -3.859 1.00 63.31 H new ATOM 0 HA LEU A 81 -5.414 -8.580 -1.719 1.00 41.34 H new ATOM 0 HB2 LEU A 81 -6.138 -6.248 -1.473 1.00 15.24 H new ATOM 0 HB3 LEU A 81 -7.478 -6.496 -2.575 1.00 15.24 H new ATOM 0 HG LEU A 81 -8.349 -8.209 -0.806 1.00 50.02 H new ATOM 0 HD11 LEU A 81 -7.723 -7.741 1.522 1.00 64.13 H new ATOM 0 HD12 LEU A 81 -6.369 -8.385 0.565 1.00 64.13 H new ATOM 0 HD13 LEU A 81 -6.441 -6.649 0.948 1.00 64.13 H new ATOM 0 HD21 LEU A 81 -9.537 -6.442 0.438 1.00 13.35 H new ATOM 0 HD22 LEU A 81 -8.425 -5.230 -0.243 1.00 13.35 H new ATOM 0 HD23 LEU A 81 -9.512 -6.143 -1.316 1.00 13.35 H new ATOM 1324 N GLN A 82 -8.014 -9.015 -3.763 1.00 1.15 N ATOM 1325 CA GLN A 82 -9.119 -9.914 -4.124 1.00 24.15 C ATOM 1326 C GLN A 82 -8.589 -11.207 -4.786 1.00 14.20 C ATOM 1327 O GLN A 82 -9.174 -12.286 -4.615 1.00 31.10 O ATOM 1328 CB GLN A 82 -10.150 -9.179 -5.021 1.00 33.10 C ATOM 1329 CG GLN A 82 -11.534 -9.868 -5.116 1.00 54.54 C ATOM 1330 CD GLN A 82 -12.179 -10.124 -3.743 1.00 35.45 C ATOM 1331 OE1 GLN A 82 -12.878 -9.270 -3.196 1.00 35.30 O ATOM 1332 NE2 GLN A 82 -11.975 -11.311 -3.185 1.00 60.51 N ATOM 0 H GLN A 82 -7.937 -8.190 -4.358 1.00 1.15 H new ATOM 0 HA GLN A 82 -9.635 -10.213 -3.212 1.00 24.15 H new ATOM 0 HB2 GLN A 82 -10.288 -8.168 -4.638 1.00 33.10 H new ATOM 0 HB3 GLN A 82 -9.736 -9.086 -6.025 1.00 33.10 H new ATOM 0 HG2 GLN A 82 -12.201 -9.247 -5.714 1.00 54.54 H new ATOM 0 HG3 GLN A 82 -11.425 -10.817 -5.642 1.00 54.54 H new ATOM 0 HE21 GLN A 82 -11.392 -12.003 -3.656 1.00 60.51 H new ATOM 0 HE22 GLN A 82 -12.401 -11.531 -2.285 1.00 60.51 H new ATOM 1341 N ASP A 83 -7.467 -11.078 -5.520 1.00 72.35 N ATOM 1342 CA ASP A 83 -6.705 -12.234 -6.032 1.00 40.13 C ATOM 1343 C ASP A 83 -6.096 -13.035 -4.852 1.00 5.23 C ATOM 1344 O ASP A 83 -6.076 -14.274 -4.876 1.00 71.20 O ATOM 1345 CB ASP A 83 -5.590 -11.759 -7.018 1.00 62.24 C ATOM 1346 CG ASP A 83 -6.104 -11.217 -8.378 1.00 21.22 C ATOM 1347 OD1 ASP A 83 -7.235 -10.681 -8.454 1.00 35.01 O ATOM 1348 OD2 ASP A 83 -5.377 -11.338 -9.388 1.00 60.11 O ATOM 0 H ASP A 83 -7.065 -10.176 -5.774 1.00 72.35 H new ATOM 0 HA ASP A 83 -7.383 -12.889 -6.579 1.00 40.13 H new ATOM 0 HB2 ASP A 83 -5.004 -10.979 -6.531 1.00 62.24 H new ATOM 0 HB3 ASP A 83 -4.915 -12.593 -7.208 1.00 62.24 H new ATOM 1353 N ALA A 84 -5.653 -12.298 -3.803 1.00 72.33 N ATOM 1354 CA ALA A 84 -5.070 -12.872 -2.570 1.00 72.44 C ATOM 1355 C ALA A 84 -6.120 -13.636 -1.743 1.00 23.05 C ATOM 1356 O ALA A 84 -5.801 -14.666 -1.161 1.00 74.24 O ATOM 1357 CB ALA A 84 -4.401 -11.775 -1.706 1.00 64.12 C ATOM 0 H ALA A 84 -5.692 -11.279 -3.792 1.00 72.33 H new ATOM 0 HA ALA A 84 -4.306 -13.584 -2.881 1.00 72.44 H new ATOM 0 HB1 ALA A 84 -3.981 -12.226 -0.807 1.00 64.12 H new ATOM 0 HB2 ALA A 84 -3.605 -11.297 -2.277 1.00 64.12 H new ATOM 0 HB3 ALA A 84 -5.145 -11.029 -1.425 1.00 64.12 H new ATOM 1363 N TYR A 85 -7.372 -13.129 -1.720 1.00 32.03 N ATOM 1364 CA TYR A 85 -8.486 -13.734 -0.950 1.00 62.32 C ATOM 1365 C TYR A 85 -8.806 -15.173 -1.417 1.00 51.35 C ATOM 1366 O TYR A 85 -9.139 -16.040 -0.591 1.00 74.12 O ATOM 1367 CB TYR A 85 -9.757 -12.831 -1.033 1.00 31.42 C ATOM 1368 CG TYR A 85 -9.812 -11.674 -0.009 1.00 33.31 C ATOM 1369 CD1 TYR A 85 -9.432 -11.873 1.328 1.00 63.25 C ATOM 1370 CD2 TYR A 85 -10.301 -10.407 -0.354 1.00 71.52 C ATOM 1371 CE1 TYR A 85 -9.538 -10.860 2.266 1.00 4.42 C ATOM 1372 CE2 TYR A 85 -10.398 -9.398 0.582 1.00 73.42 C ATOM 1373 CZ TYR A 85 -10.022 -9.625 1.887 1.00 23.50 C ATOM 1374 OH TYR A 85 -10.122 -8.606 2.820 1.00 3.35 O ATOM 0 H TYR A 85 -7.641 -12.290 -2.234 1.00 32.03 H new ATOM 0 HA TYR A 85 -8.165 -13.800 0.090 1.00 62.32 H new ATOM 0 HB2 TYR A 85 -9.819 -12.410 -2.036 1.00 31.42 H new ATOM 0 HB3 TYR A 85 -10.638 -13.458 -0.896 1.00 31.42 H new ATOM 0 HD1 TYR A 85 -9.049 -12.836 1.631 1.00 63.25 H new ATOM 0 HD2 TYR A 85 -10.608 -10.217 -1.372 1.00 71.52 H new ATOM 0 HE1 TYR A 85 -9.243 -11.036 3.290 1.00 4.42 H new ATOM 0 HE2 TYR A 85 -10.770 -8.427 0.290 1.00 73.42 H new ATOM 0 HH TYR A 85 -9.287 -8.545 3.329 1.00 3.35 H new ATOM 1384 N GLU A 86 -8.685 -15.425 -2.736 1.00 42.34 N ATOM 1385 CA GLU A 86 -8.936 -16.764 -3.315 1.00 13.35 C ATOM 1386 C GLU A 86 -7.638 -17.621 -3.335 1.00 2.34 C ATOM 1387 O GLU A 86 -7.536 -18.636 -4.033 1.00 62.22 O ATOM 1388 CB GLU A 86 -9.588 -16.622 -4.715 1.00 15.01 C ATOM 1389 CG GLU A 86 -10.275 -17.921 -5.228 1.00 61.14 C ATOM 1390 CD GLU A 86 -11.023 -17.755 -6.554 1.00 43.33 C ATOM 1391 OE1 GLU A 86 -10.411 -17.264 -7.527 1.00 52.11 O ATOM 1392 OE2 GLU A 86 -12.222 -18.124 -6.637 1.00 2.11 O ATOM 0 H GLU A 86 -8.415 -14.720 -3.422 1.00 42.34 H new ATOM 0 HA GLU A 86 -9.641 -17.302 -2.681 1.00 13.35 H new ATOM 0 HB2 GLU A 86 -10.327 -15.822 -4.681 1.00 15.01 H new ATOM 0 HB3 GLU A 86 -8.824 -16.320 -5.431 1.00 15.01 H new ATOM 0 HG2 GLU A 86 -9.518 -18.697 -5.346 1.00 61.14 H new ATOM 0 HG3 GLU A 86 -10.976 -18.272 -4.470 1.00 61.14 H new ATOM 1399 N ARG A 87 -6.621 -17.175 -2.584 1.00 5.35 N ATOM 1400 CA ARG A 87 -5.529 -18.039 -2.108 1.00 53.44 C ATOM 1401 C ARG A 87 -5.975 -18.580 -0.747 1.00 4.42 C ATOM 1402 O ARG A 87 -6.299 -17.796 0.152 1.00 20.23 O ATOM 1403 CB ARG A 87 -4.173 -17.263 -2.024 1.00 54.44 C ATOM 1404 CG ARG A 87 -3.243 -17.342 -3.271 1.00 72.12 C ATOM 1405 CD ARG A 87 -3.769 -16.628 -4.541 1.00 2.53 C ATOM 1406 NE ARG A 87 -4.852 -17.373 -5.226 1.00 54.13 N ATOM 1407 CZ ARG A 87 -4.973 -17.535 -6.556 1.00 10.11 C ATOM 1408 NH1 ARG A 87 -4.084 -17.014 -7.406 1.00 15.55 N ATOM 1409 NH2 ARG A 87 -5.993 -18.232 -7.041 1.00 34.04 N ATOM 0 H ARG A 87 -6.531 -16.203 -2.288 1.00 5.35 H new ATOM 0 HA ARG A 87 -5.342 -18.858 -2.803 1.00 53.44 H new ATOM 0 HB2 ARG A 87 -4.393 -16.213 -1.830 1.00 54.44 H new ATOM 0 HB3 ARG A 87 -3.620 -17.637 -1.163 1.00 54.44 H new ATOM 0 HG2 ARG A 87 -2.276 -16.914 -3.009 1.00 72.12 H new ATOM 0 HG3 ARG A 87 -3.073 -18.392 -3.510 1.00 72.12 H new ATOM 0 HD2 ARG A 87 -4.135 -15.638 -4.268 1.00 2.53 H new ATOM 0 HD3 ARG A 87 -2.942 -16.482 -5.236 1.00 2.53 H new ATOM 0 HE ARG A 87 -5.568 -17.800 -4.638 1.00 54.13 H new ATOM 0 HH11 ARG A 87 -3.291 -16.479 -7.051 1.00 15.55 H new ATOM 0 HH12 ARG A 87 -4.198 -17.151 -8.410 1.00 15.55 H new ATOM 0 HH21 ARG A 87 -6.679 -18.641 -6.406 1.00 34.04 H new ATOM 0 HH22 ARG A 87 -6.091 -18.359 -8.048 1.00 34.04 H new ATOM 1423 N SER A 88 -5.980 -19.914 -0.600 1.00 40.25 N ATOM 1424 CA SER A 88 -6.612 -20.619 0.540 1.00 55.11 C ATOM 1425 C SER A 88 -5.789 -20.525 1.849 1.00 64.12 C ATOM 1426 O SER A 88 -6.151 -21.150 2.863 1.00 5.01 O ATOM 1427 CB SER A 88 -6.830 -22.103 0.151 1.00 21.23 C ATOM 1428 OG SER A 88 -7.448 -22.217 -1.120 1.00 73.12 O ATOM 0 H SER A 88 -5.543 -20.545 -1.272 1.00 40.25 H new ATOM 0 HA SER A 88 -7.564 -20.128 0.744 1.00 55.11 H new ATOM 0 HB2 SER A 88 -5.872 -22.623 0.140 1.00 21.23 H new ATOM 0 HB3 SER A 88 -7.449 -22.591 0.904 1.00 21.23 H new ATOM 0 HG SER A 88 -7.571 -23.164 -1.340 1.00 73.12 H new ATOM 1434 N GLU A 89 -4.684 -19.748 1.806 1.00 11.31 N ATOM 1435 CA GLU A 89 -3.775 -19.522 2.941 1.00 1.11 C ATOM 1436 C GLU A 89 -4.504 -18.891 4.145 1.00 50.43 C ATOM 1437 O GLU A 89 -5.446 -18.107 3.981 1.00 54.34 O ATOM 1438 CB GLU A 89 -2.554 -18.662 2.483 1.00 15.14 C ATOM 1439 CG GLU A 89 -1.507 -19.434 1.646 1.00 42.50 C ATOM 1440 CD GLU A 89 -1.994 -19.899 0.252 1.00 34.11 C ATOM 1441 OE1 GLU A 89 -2.598 -20.991 0.143 1.00 43.41 O ATOM 1442 OE2 GLU A 89 -1.759 -19.184 -0.742 1.00 42.41 O ATOM 0 H GLU A 89 -4.397 -19.252 0.962 1.00 11.31 H new ATOM 0 HA GLU A 89 -3.405 -20.489 3.282 1.00 1.11 H new ATOM 0 HB2 GLU A 89 -2.919 -17.818 1.897 1.00 15.14 H new ATOM 0 HB3 GLU A 89 -2.064 -18.250 3.365 1.00 15.14 H new ATOM 0 HG2 GLU A 89 -0.630 -18.800 1.514 1.00 42.50 H new ATOM 0 HG3 GLU A 89 -1.186 -20.308 2.212 1.00 42.50 H new ATOM 1449 N SER A 90 -3.999 -19.215 5.351 1.00 15.14 N ATOM 1450 CA SER A 90 -4.722 -19.039 6.623 1.00 41.01 C ATOM 1451 C SER A 90 -4.913 -17.550 6.993 1.00 53.50 C ATOM 1452 O SER A 90 -6.036 -17.031 6.951 1.00 24.32 O ATOM 1453 CB SER A 90 -3.971 -19.801 7.747 1.00 13.21 C ATOM 1454 OG SER A 90 -3.760 -21.158 7.384 1.00 45.11 O ATOM 0 H SER A 90 -3.066 -19.611 5.469 1.00 15.14 H new ATOM 0 HA SER A 90 -5.723 -19.454 6.505 1.00 41.01 H new ATOM 0 HB2 SER A 90 -3.013 -19.319 7.942 1.00 13.21 H new ATOM 0 HB3 SER A 90 -4.546 -19.753 8.672 1.00 13.21 H new ATOM 0 HG SER A 90 -3.284 -21.619 8.106 1.00 45.11 H new ATOM 1460 N LEU A 91 -3.808 -16.861 7.325 1.00 33.32 N ATOM 1461 CA LEU A 91 -3.844 -15.469 7.846 1.00 20.43 C ATOM 1462 C LEU A 91 -3.123 -14.492 6.897 1.00 22.15 C ATOM 1463 O LEU A 91 -3.131 -13.277 7.113 1.00 54.32 O ATOM 1464 CB LEU A 91 -3.206 -15.441 9.271 1.00 30.52 C ATOM 1465 CG LEU A 91 -3.905 -16.340 10.352 1.00 65.20 C ATOM 1466 CD1 LEU A 91 -3.135 -16.325 11.695 1.00 1.01 C ATOM 1467 CD2 LEU A 91 -5.388 -15.931 10.543 1.00 75.04 C ATOM 0 H LEU A 91 -2.866 -17.244 7.243 1.00 33.32 H new ATOM 0 HA LEU A 91 -4.882 -15.141 7.908 1.00 20.43 H new ATOM 0 HB2 LEU A 91 -2.164 -15.750 9.188 1.00 30.52 H new ATOM 0 HB3 LEU A 91 -3.206 -14.411 9.628 1.00 30.52 H new ATOM 0 HG LEU A 91 -3.888 -17.366 9.985 1.00 65.20 H new ATOM 0 HD11 LEU A 91 -3.650 -16.959 12.417 1.00 1.01 H new ATOM 0 HD12 LEU A 91 -2.124 -16.701 11.539 1.00 1.01 H new ATOM 0 HD13 LEU A 91 -3.088 -15.305 12.076 1.00 1.01 H new ATOM 0 HD21 LEU A 91 -5.847 -16.570 11.297 1.00 75.04 H new ATOM 0 HD22 LEU A 91 -5.440 -14.892 10.867 1.00 75.04 H new ATOM 0 HD23 LEU A 91 -5.921 -16.043 9.599 1.00 75.04 H new ATOM 1479 N GLU A 92 -2.545 -15.047 5.825 1.00 41.33 N ATOM 1480 CA GLU A 92 -1.676 -14.327 4.873 1.00 43.40 C ATOM 1481 C GLU A 92 -2.500 -13.344 4.014 1.00 53.32 C ATOM 1482 O GLU A 92 -1.987 -12.309 3.572 1.00 73.42 O ATOM 1483 CB GLU A 92 -0.898 -15.357 3.983 1.00 3.02 C ATOM 1484 CG GLU A 92 0.121 -16.265 4.738 1.00 24.51 C ATOM 1485 CD GLU A 92 -0.512 -17.199 5.803 1.00 22.01 C ATOM 1486 OE1 GLU A 92 -1.055 -18.259 5.437 1.00 12.13 O ATOM 1487 OE2 GLU A 92 -0.515 -16.853 7.006 1.00 63.21 O ATOM 0 H GLU A 92 -2.668 -16.031 5.586 1.00 41.33 H new ATOM 0 HA GLU A 92 -0.948 -13.737 5.430 1.00 43.40 H new ATOM 0 HB2 GLU A 92 -1.623 -15.996 3.480 1.00 3.02 H new ATOM 0 HB3 GLU A 92 -0.364 -14.809 3.207 1.00 3.02 H new ATOM 0 HG2 GLU A 92 0.653 -16.876 4.009 1.00 24.51 H new ATOM 0 HG3 GLU A 92 0.862 -15.631 5.224 1.00 24.51 H new ATOM 1494 N VAL A 93 -3.792 -13.676 3.818 1.00 11.14 N ATOM 1495 CA VAL A 93 -4.763 -12.812 3.121 1.00 22.54 C ATOM 1496 C VAL A 93 -5.116 -11.576 3.987 1.00 71.13 C ATOM 1497 O VAL A 93 -5.359 -10.487 3.459 1.00 74.42 O ATOM 1498 CB VAL A 93 -6.064 -13.629 2.740 1.00 24.20 C ATOM 1499 CG1 VAL A 93 -5.694 -14.916 1.953 1.00 43.23 C ATOM 1500 CG2 VAL A 93 -6.933 -13.970 3.983 1.00 14.12 C ATOM 0 H VAL A 93 -4.192 -14.557 4.141 1.00 11.14 H new ATOM 0 HA VAL A 93 -4.306 -12.456 2.198 1.00 22.54 H new ATOM 0 HB VAL A 93 -6.668 -12.988 2.097 1.00 24.20 H new ATOM 0 HG11 VAL A 93 -6.603 -15.462 1.701 1.00 43.23 H new ATOM 0 HG12 VAL A 93 -5.169 -14.644 1.037 1.00 43.23 H new ATOM 0 HG13 VAL A 93 -5.050 -15.546 2.567 1.00 43.23 H new ATOM 0 HG21 VAL A 93 -7.813 -14.531 3.669 1.00 14.12 H new ATOM 0 HG22 VAL A 93 -6.350 -14.571 4.681 1.00 14.12 H new ATOM 0 HG23 VAL A 93 -7.246 -13.048 4.472 1.00 14.12 H new ATOM 1510 N ALA A 94 -5.087 -11.763 5.329 1.00 33.15 N ATOM 1511 CA ALA A 94 -5.475 -10.730 6.306 1.00 60.52 C ATOM 1512 C ALA A 94 -4.391 -9.650 6.436 1.00 23.15 C ATOM 1513 O ALA A 94 -4.704 -8.490 6.725 1.00 64.42 O ATOM 1514 CB ALA A 94 -5.763 -11.368 7.666 1.00 2.33 C ATOM 0 H ALA A 94 -4.792 -12.639 5.760 1.00 33.15 H new ATOM 0 HA ALA A 94 -6.383 -10.248 5.944 1.00 60.52 H new ATOM 0 HB1 ALA A 94 -6.048 -10.594 8.378 1.00 2.33 H new ATOM 0 HB2 ALA A 94 -6.577 -12.087 7.566 1.00 2.33 H new ATOM 0 HB3 ALA A 94 -4.870 -11.879 8.025 1.00 2.33 H new ATOM 1520 N PHE A 95 -3.117 -10.052 6.223 1.00 61.20 N ATOM 1521 CA PHE A 95 -1.974 -9.117 6.154 1.00 73.42 C ATOM 1522 C PHE A 95 -2.227 -8.070 5.054 1.00 12.10 C ATOM 1523 O PHE A 95 -2.143 -6.853 5.293 1.00 33.05 O ATOM 1524 CB PHE A 95 -0.650 -9.892 5.875 1.00 14.00 C ATOM 1525 CG PHE A 95 0.579 -8.993 5.634 1.00 54.41 C ATOM 1526 CD1 PHE A 95 1.302 -8.457 6.702 1.00 31.13 C ATOM 1527 CD2 PHE A 95 0.999 -8.679 4.334 1.00 71.42 C ATOM 1528 CE1 PHE A 95 2.399 -7.638 6.480 1.00 20.04 C ATOM 1529 CE2 PHE A 95 2.092 -7.865 4.117 1.00 31.32 C ATOM 1530 CZ PHE A 95 2.791 -7.346 5.186 1.00 11.44 C ATOM 0 H PHE A 95 -2.855 -11.029 6.095 1.00 61.20 H new ATOM 0 HA PHE A 95 -1.874 -8.608 7.113 1.00 73.42 H new ATOM 0 HB2 PHE A 95 -0.444 -10.549 6.720 1.00 14.00 H new ATOM 0 HB3 PHE A 95 -0.794 -10.530 5.003 1.00 14.00 H new ATOM 0 HD1 PHE A 95 1.003 -8.683 7.715 1.00 31.13 H new ATOM 0 HD2 PHE A 95 0.459 -9.080 3.489 1.00 71.42 H new ATOM 0 HE1 PHE A 95 2.946 -7.229 7.316 1.00 20.04 H new ATOM 0 HE2 PHE A 95 2.400 -7.634 3.108 1.00 31.32 H new ATOM 0 HZ PHE A 95 3.647 -6.710 5.013 1.00 11.44 H new ATOM 1540 N VAL A 96 -2.567 -8.589 3.857 1.00 21.43 N ATOM 1541 CA VAL A 96 -2.868 -7.770 2.676 1.00 3.11 C ATOM 1542 C VAL A 96 -4.052 -6.823 2.977 1.00 65.31 C ATOM 1543 O VAL A 96 -3.984 -5.641 2.674 1.00 22.24 O ATOM 1544 CB VAL A 96 -3.180 -8.660 1.411 1.00 0.43 C ATOM 1545 CG1 VAL A 96 -3.360 -7.791 0.141 1.00 74.13 C ATOM 1546 CG2 VAL A 96 -2.086 -9.736 1.193 1.00 23.24 C ATOM 0 H VAL A 96 -2.639 -9.592 3.687 1.00 21.43 H new ATOM 0 HA VAL A 96 -1.983 -7.176 2.446 1.00 3.11 H new ATOM 0 HB VAL A 96 -4.122 -9.175 1.601 1.00 0.43 H new ATOM 0 HG11 VAL A 96 -3.574 -8.434 -0.713 1.00 74.13 H new ATOM 0 HG12 VAL A 96 -4.188 -7.097 0.289 1.00 74.13 H new ATOM 0 HG13 VAL A 96 -2.445 -7.229 -0.048 1.00 74.13 H new ATOM 0 HG21 VAL A 96 -2.332 -10.332 0.314 1.00 23.24 H new ATOM 0 HG22 VAL A 96 -1.122 -9.250 1.044 1.00 23.24 H new ATOM 0 HG23 VAL A 96 -2.034 -10.385 2.068 1.00 23.24 H new ATOM 1556 N THR A 97 -5.099 -7.367 3.646 1.00 41.43 N ATOM 1557 CA THR A 97 -6.289 -6.598 4.082 1.00 45.42 C ATOM 1558 C THR A 97 -5.887 -5.358 4.909 1.00 33.15 C ATOM 1559 O THR A 97 -6.229 -4.224 4.542 1.00 42.23 O ATOM 1560 CB THR A 97 -7.250 -7.507 4.922 1.00 45.45 C ATOM 1561 OG1 THR A 97 -7.531 -8.707 4.189 1.00 52.41 O ATOM 1562 CG2 THR A 97 -8.582 -6.812 5.276 1.00 63.21 C ATOM 0 H THR A 97 -5.141 -8.354 3.898 1.00 41.43 H new ATOM 0 HA THR A 97 -6.807 -6.257 3.186 1.00 45.42 H new ATOM 0 HB THR A 97 -6.739 -7.729 5.859 1.00 45.45 H new ATOM 0 HG1 THR A 97 -6.720 -9.254 4.133 1.00 52.41 H new ATOM 0 HG21 THR A 97 -9.204 -7.492 5.858 1.00 63.21 H new ATOM 0 HG22 THR A 97 -8.380 -5.915 5.861 1.00 63.21 H new ATOM 0 HG23 THR A 97 -9.104 -6.537 4.359 1.00 63.21 H new ATOM 1570 N GLN A 98 -5.107 -5.602 5.977 1.00 54.32 N ATOM 1571 CA GLN A 98 -4.650 -4.554 6.905 1.00 43.05 C ATOM 1572 C GLN A 98 -3.853 -3.463 6.170 1.00 24.51 C ATOM 1573 O GLN A 98 -4.130 -2.271 6.343 1.00 35.42 O ATOM 1574 CB GLN A 98 -3.777 -5.178 8.020 1.00 52.20 C ATOM 1575 CG GLN A 98 -4.534 -6.117 8.982 1.00 41.32 C ATOM 1576 CD GLN A 98 -3.629 -6.886 9.955 1.00 72.13 C ATOM 1577 OE1 GLN A 98 -3.942 -8.012 10.353 1.00 24.00 O ATOM 1578 NE2 GLN A 98 -2.514 -6.291 10.367 1.00 33.41 N ATOM 0 H GLN A 98 -4.775 -6.535 6.221 1.00 54.32 H new ATOM 0 HA GLN A 98 -5.532 -4.091 7.348 1.00 43.05 H new ATOM 0 HB2 GLN A 98 -2.963 -5.735 7.556 1.00 52.20 H new ATOM 0 HB3 GLN A 98 -3.324 -4.374 8.600 1.00 52.20 H new ATOM 0 HG2 GLN A 98 -5.250 -5.529 9.557 1.00 41.32 H new ATOM 0 HG3 GLN A 98 -5.109 -6.833 8.395 1.00 41.32 H new ATOM 0 HE21 GLN A 98 -2.276 -5.360 10.024 1.00 33.41 H new ATOM 0 HE22 GLN A 98 -1.896 -6.765 11.026 1.00 33.41 H new ATOM 1587 N LEU A 99 -2.897 -3.900 5.321 1.00 3.31 N ATOM 1588 CA LEU A 99 -1.958 -2.985 4.633 1.00 21.23 C ATOM 1589 C LEU A 99 -2.688 -2.084 3.604 1.00 65.25 C ATOM 1590 O LEU A 99 -2.466 -0.867 3.571 1.00 61.53 O ATOM 1591 CB LEU A 99 -0.807 -3.779 3.946 1.00 64.24 C ATOM 1592 CG LEU A 99 0.270 -4.498 4.881 1.00 31.13 C ATOM 1593 CD1 LEU A 99 1.719 -4.054 4.544 1.00 31.05 C ATOM 1594 CD2 LEU A 99 -0.009 -4.322 6.402 1.00 43.23 C ATOM 0 H LEU A 99 -2.755 -4.884 5.095 1.00 3.31 H new ATOM 0 HA LEU A 99 -1.523 -2.336 5.393 1.00 21.23 H new ATOM 0 HB2 LEU A 99 -1.259 -4.541 3.311 1.00 64.24 H new ATOM 0 HB3 LEU A 99 -0.273 -3.092 3.289 1.00 64.24 H new ATOM 0 HG LEU A 99 0.170 -5.561 4.662 1.00 31.13 H new ATOM 0 HD11 LEU A 99 2.419 -4.567 5.203 1.00 31.05 H new ATOM 0 HD12 LEU A 99 1.945 -4.306 3.508 1.00 31.05 H new ATOM 0 HD13 LEU A 99 1.811 -2.977 4.684 1.00 31.05 H new ATOM 0 HD21 LEU A 99 0.762 -4.836 6.975 1.00 43.23 H new ATOM 0 HD22 LEU A 99 -0.001 -3.261 6.653 1.00 43.23 H new ATOM 0 HD23 LEU A 99 -0.984 -4.745 6.644 1.00 43.23 H new ATOM 1606 N VAL A 100 -3.573 -2.707 2.792 1.00 4.22 N ATOM 1607 CA VAL A 100 -4.372 -2.016 1.753 1.00 51.23 C ATOM 1608 C VAL A 100 -5.308 -0.973 2.388 1.00 72.11 C ATOM 1609 O VAL A 100 -5.306 0.203 1.985 1.00 65.11 O ATOM 1610 CB VAL A 100 -5.217 -3.041 0.896 1.00 21.23 C ATOM 1611 CG1 VAL A 100 -6.210 -2.318 -0.052 1.00 42.23 C ATOM 1612 CG2 VAL A 100 -4.283 -4.008 0.115 1.00 74.11 C ATOM 0 H VAL A 100 -3.754 -3.710 2.840 1.00 4.22 H new ATOM 0 HA VAL A 100 -3.671 -1.509 1.089 1.00 51.23 H new ATOM 0 HB VAL A 100 -5.815 -3.636 1.586 1.00 21.23 H new ATOM 0 HG11 VAL A 100 -6.771 -3.057 -0.623 1.00 42.23 H new ATOM 0 HG12 VAL A 100 -6.900 -1.714 0.536 1.00 42.23 H new ATOM 0 HG13 VAL A 100 -5.657 -1.675 -0.736 1.00 42.23 H new ATOM 0 HG21 VAL A 100 -4.886 -4.705 -0.468 1.00 74.11 H new ATOM 0 HG22 VAL A 100 -3.643 -3.434 -0.555 1.00 74.11 H new ATOM 0 HG23 VAL A 100 -3.665 -4.565 0.819 1.00 74.11 H new ATOM 1622 N LYS A 101 -6.092 -1.422 3.402 1.00 70.21 N ATOM 1623 CA LYS A 101 -7.002 -0.532 4.146 1.00 10.04 C ATOM 1624 C LYS A 101 -6.202 0.596 4.829 1.00 42.34 C ATOM 1625 O LYS A 101 -6.678 1.726 4.885 1.00 43.21 O ATOM 1626 CB LYS A 101 -7.876 -1.305 5.201 1.00 1.23 C ATOM 1627 CG LYS A 101 -9.269 -1.850 4.713 1.00 64.45 C ATOM 1628 CD LYS A 101 -9.255 -3.264 4.066 1.00 52.35 C ATOM 1629 CE LYS A 101 -8.808 -3.296 2.594 1.00 34.13 C ATOM 1630 NZ LYS A 101 -9.774 -2.609 1.685 1.00 12.32 N ATOM 0 H LYS A 101 -6.108 -2.392 3.717 1.00 70.21 H new ATOM 0 HA LYS A 101 -7.692 -0.099 3.422 1.00 10.04 H new ATOM 0 HB2 LYS A 101 -7.293 -2.148 5.571 1.00 1.23 H new ATOM 0 HB3 LYS A 101 -8.050 -0.642 6.048 1.00 1.23 H new ATOM 0 HG2 LYS A 101 -9.949 -1.868 5.565 1.00 64.45 H new ATOM 0 HG3 LYS A 101 -9.681 -1.145 3.991 1.00 64.45 H new ATOM 0 HD2 LYS A 101 -8.593 -3.907 4.646 1.00 52.35 H new ATOM 0 HD3 LYS A 101 -10.256 -3.690 4.136 1.00 52.35 H new ATOM 0 HE2 LYS A 101 -7.831 -2.822 2.505 1.00 34.13 H new ATOM 0 HE3 LYS A 101 -8.690 -4.332 2.276 1.00 34.13 H new ATOM 0 HZ1 LYS A 101 -9.625 -2.936 0.709 1.00 12.32 H new ATOM 0 HZ2 LYS A 101 -10.746 -2.831 1.980 1.00 12.32 H new ATOM 0 HZ3 LYS A 101 -9.624 -1.581 1.733 1.00 12.32 H new ATOM 1644 N LYS A 102 -4.966 0.284 5.305 1.00 72.22 N ATOM 1645 CA LYS A 102 -4.117 1.270 5.986 1.00 73.44 C ATOM 1646 C LYS A 102 -3.716 2.391 5.029 1.00 32.05 C ATOM 1647 O LYS A 102 -3.854 3.544 5.383 1.00 4.33 O ATOM 1648 CB LYS A 102 -2.832 0.667 6.591 1.00 44.31 C ATOM 1649 CG LYS A 102 -2.138 1.620 7.610 1.00 5.12 C ATOM 1650 CD LYS A 102 -2.774 1.548 9.018 1.00 34.43 C ATOM 1651 CE LYS A 102 -2.546 0.171 9.673 1.00 35.45 C ATOM 1652 NZ LYS A 102 -3.270 0.025 10.957 1.00 31.22 N ATOM 0 H LYS A 102 -4.547 -0.642 5.224 1.00 72.22 H new ATOM 0 HA LYS A 102 -4.724 1.655 6.805 1.00 73.44 H new ATOM 0 HB2 LYS A 102 -3.076 -0.272 7.087 1.00 44.31 H new ATOM 0 HB3 LYS A 102 -2.134 0.431 5.788 1.00 44.31 H new ATOM 0 HG2 LYS A 102 -1.081 1.364 7.679 1.00 5.12 H new ATOM 0 HG3 LYS A 102 -2.195 2.644 7.241 1.00 5.12 H new ATOM 0 HD2 LYS A 102 -2.349 2.327 9.650 1.00 34.43 H new ATOM 0 HD3 LYS A 102 -3.844 1.745 8.945 1.00 34.43 H new ATOM 0 HE2 LYS A 102 -2.869 -0.612 8.987 1.00 35.45 H new ATOM 0 HE3 LYS A 102 -1.479 0.026 9.843 1.00 35.45 H new ATOM 0 HZ1 LYS A 102 -3.083 -0.917 11.356 1.00 31.22 H new ATOM 0 HZ2 LYS A 102 -2.945 0.754 11.624 1.00 31.22 H new ATOM 0 HZ3 LYS A 102 -4.291 0.136 10.794 1.00 31.22 H new ATOM 1666 N LEU A 103 -3.222 2.042 3.811 1.00 72.13 N ATOM 1667 CA LEU A 103 -2.888 3.052 2.772 1.00 43.11 C ATOM 1668 C LEU A 103 -4.125 3.889 2.432 1.00 22.31 C ATOM 1669 O LEU A 103 -4.036 5.110 2.280 1.00 70.55 O ATOM 1670 CB LEU A 103 -2.296 2.413 1.472 1.00 72.24 C ATOM 1671 CG LEU A 103 -0.741 2.233 1.431 1.00 4.21 C ATOM 1672 CD1 LEU A 103 -0.008 3.601 1.524 1.00 71.21 C ATOM 1673 CD2 LEU A 103 -0.250 1.246 2.515 1.00 62.24 C ATOM 0 H LEU A 103 -3.048 1.078 3.527 1.00 72.13 H new ATOM 0 HA LEU A 103 -2.113 3.693 3.192 1.00 43.11 H new ATOM 0 HB2 LEU A 103 -2.757 1.435 1.331 1.00 72.24 H new ATOM 0 HB3 LEU A 103 -2.591 3.030 0.623 1.00 72.24 H new ATOM 0 HG LEU A 103 -0.491 1.795 0.465 1.00 4.21 H new ATOM 0 HD11 LEU A 103 1.069 3.439 1.493 1.00 71.21 H new ATOM 0 HD12 LEU A 103 -0.305 4.231 0.685 1.00 71.21 H new ATOM 0 HD13 LEU A 103 -0.274 4.093 2.459 1.00 71.21 H new ATOM 0 HD21 LEU A 103 0.834 1.148 2.454 1.00 62.24 H new ATOM 0 HD22 LEU A 103 -0.525 1.621 3.501 1.00 62.24 H new ATOM 0 HD23 LEU A 103 -0.712 0.272 2.356 1.00 62.24 H new ATOM 1685 N LEU A 104 -5.276 3.205 2.348 1.00 42.03 N ATOM 1686 CA LEU A 104 -6.573 3.851 2.091 1.00 21.32 C ATOM 1687 C LEU A 104 -7.003 4.773 3.278 1.00 14.44 C ATOM 1688 O LEU A 104 -7.803 5.674 3.079 1.00 14.22 O ATOM 1689 CB LEU A 104 -7.638 2.762 1.778 1.00 40.41 C ATOM 1690 CG LEU A 104 -9.074 3.263 1.403 1.00 10.50 C ATOM 1691 CD1 LEU A 104 -9.048 4.222 0.192 1.00 72.33 C ATOM 1692 CD2 LEU A 104 -10.018 2.077 1.142 1.00 1.14 C ATOM 0 H LEU A 104 -5.335 2.192 2.456 1.00 42.03 H new ATOM 0 HA LEU A 104 -6.480 4.503 1.222 1.00 21.32 H new ATOM 0 HB2 LEU A 104 -7.266 2.150 0.956 1.00 40.41 H new ATOM 0 HB3 LEU A 104 -7.722 2.110 2.647 1.00 40.41 H new ATOM 0 HG LEU A 104 -9.456 3.824 2.256 1.00 10.50 H new ATOM 0 HD11 LEU A 104 -10.063 4.547 -0.037 1.00 72.33 H new ATOM 0 HD12 LEU A 104 -8.433 5.091 0.429 1.00 72.33 H new ATOM 0 HD13 LEU A 104 -8.629 3.706 -0.672 1.00 72.33 H new ATOM 0 HD21 LEU A 104 -11.009 2.451 0.884 1.00 1.14 H new ATOM 0 HD22 LEU A 104 -9.630 1.478 0.318 1.00 1.14 H new ATOM 0 HD23 LEU A 104 -10.085 1.461 2.039 1.00 1.14 H new ATOM 1704 N ILE A 105 -6.486 4.523 4.505 1.00 74.54 N ATOM 1705 CA ILE A 105 -6.643 5.451 5.670 1.00 24.02 C ATOM 1706 C ILE A 105 -5.628 6.634 5.585 1.00 3.21 C ATOM 1707 O ILE A 105 -5.999 7.799 5.786 1.00 44.44 O ATOM 1708 CB ILE A 105 -6.454 4.671 7.046 1.00 75.40 C ATOM 1709 CG1 ILE A 105 -7.573 3.591 7.237 1.00 3.34 C ATOM 1710 CG2 ILE A 105 -6.394 5.625 8.273 1.00 20.03 C ATOM 1711 CD1 ILE A 105 -7.335 2.610 8.379 1.00 71.13 C ATOM 0 H ILE A 105 -5.951 3.682 4.723 1.00 74.54 H new ATOM 0 HA ILE A 105 -7.654 5.858 5.634 1.00 24.02 H new ATOM 0 HB ILE A 105 -5.489 4.168 6.989 1.00 75.40 H new ATOM 0 HG12 ILE A 105 -8.522 4.099 7.407 1.00 3.34 H new ATOM 0 HG13 ILE A 105 -7.675 3.027 6.310 1.00 3.34 H new ATOM 0 HG21 ILE A 105 -6.264 5.039 9.183 1.00 20.03 H new ATOM 0 HG22 ILE A 105 -5.554 6.311 8.160 1.00 20.03 H new ATOM 0 HG23 ILE A 105 -7.321 6.194 8.337 1.00 20.03 H new ATOM 0 HD11 ILE A 105 -8.163 1.903 8.430 1.00 71.13 H new ATOM 0 HD12 ILE A 105 -6.405 2.068 8.205 1.00 71.13 H new ATOM 0 HD13 ILE A 105 -7.266 3.156 9.320 1.00 71.13 H new ATOM 1723 N ILE A 106 -4.363 6.298 5.242 1.00 61.13 N ATOM 1724 CA ILE A 106 -3.198 7.219 5.275 1.00 72.10 C ATOM 1725 C ILE A 106 -3.390 8.409 4.307 1.00 50.24 C ATOM 1726 O ILE A 106 -3.248 9.581 4.694 1.00 53.13 O ATOM 1727 CB ILE A 106 -1.857 6.427 4.922 1.00 20.11 C ATOM 1728 CG1 ILE A 106 -1.489 5.410 6.058 1.00 4.23 C ATOM 1729 CG2 ILE A 106 -0.662 7.370 4.637 1.00 22.12 C ATOM 1730 CD1 ILE A 106 -0.328 4.473 5.730 1.00 43.21 C ATOM 0 H ILE A 106 -4.116 5.360 4.928 1.00 61.13 H new ATOM 0 HA ILE A 106 -3.118 7.621 6.285 1.00 72.10 H new ATOM 0 HB ILE A 106 -2.058 5.876 4.003 1.00 20.11 H new ATOM 0 HG12 ILE A 106 -1.242 5.969 6.960 1.00 4.23 H new ATOM 0 HG13 ILE A 106 -2.369 4.809 6.287 1.00 4.23 H new ATOM 0 HG21 ILE A 106 0.222 6.777 4.403 1.00 22.12 H new ATOM 0 HG22 ILE A 106 -0.901 8.014 3.791 1.00 22.12 H new ATOM 0 HG23 ILE A 106 -0.465 7.983 5.516 1.00 22.12 H new ATOM 0 HD11 ILE A 106 -0.148 3.808 6.574 1.00 43.21 H new ATOM 0 HD12 ILE A 106 -0.576 3.882 4.848 1.00 43.21 H new ATOM 0 HD13 ILE A 106 0.569 5.060 5.533 1.00 43.21 H new ATOM 1742 N ILE A 107 -3.732 8.081 3.056 1.00 11.23 N ATOM 1743 CA ILE A 107 -3.824 9.059 1.959 1.00 41.51 C ATOM 1744 C ILE A 107 -5.201 9.757 1.935 1.00 35.21 C ATOM 1745 O ILE A 107 -5.346 10.840 1.347 1.00 15.21 O ATOM 1746 CB ILE A 107 -3.526 8.363 0.574 1.00 63.11 C ATOM 1747 CG1 ILE A 107 -4.721 7.456 0.102 1.00 23.04 C ATOM 1748 CG2 ILE A 107 -2.214 7.535 0.663 1.00 41.12 C ATOM 1749 CD1 ILE A 107 -4.491 6.729 -1.217 1.00 2.40 C ATOM 0 H ILE A 107 -3.954 7.127 2.772 1.00 11.23 H new ATOM 0 HA ILE A 107 -3.071 9.827 2.133 1.00 41.51 H new ATOM 0 HB ILE A 107 -3.403 9.149 -0.172 1.00 63.11 H new ATOM 0 HG12 ILE A 107 -4.926 6.717 0.877 1.00 23.04 H new ATOM 0 HG13 ILE A 107 -5.613 8.075 0.008 1.00 23.04 H new ATOM 0 HG21 ILE A 107 -2.018 7.059 -0.298 1.00 41.12 H new ATOM 0 HG22 ILE A 107 -1.384 8.194 0.917 1.00 41.12 H new ATOM 0 HG23 ILE A 107 -2.318 6.770 1.432 1.00 41.12 H new ATOM 0 HD11 ILE A 107 -5.368 6.129 -1.460 1.00 2.40 H new ATOM 0 HD12 ILE A 107 -4.319 7.458 -2.009 1.00 2.40 H new ATOM 0 HD13 ILE A 107 -3.621 6.079 -1.127 1.00 2.40 H new ATOM 1761 N SER A 108 -6.206 9.121 2.576 1.00 50.41 N ATOM 1762 CA SER A 108 -7.587 9.627 2.605 1.00 72.24 C ATOM 1763 C SER A 108 -7.695 10.904 3.434 1.00 64.10 C ATOM 1764 O SER A 108 -7.022 11.049 4.462 1.00 74.52 O ATOM 1765 CB SER A 108 -8.548 8.572 3.174 1.00 1.05 C ATOM 1766 OG SER A 108 -9.891 9.033 3.200 1.00 34.45 O ATOM 0 H SER A 108 -6.079 8.246 3.085 1.00 50.41 H new ATOM 0 HA SER A 108 -7.866 9.850 1.575 1.00 72.24 H new ATOM 0 HB2 SER A 108 -8.488 7.665 2.572 1.00 1.05 H new ATOM 0 HB3 SER A 108 -8.237 8.306 4.184 1.00 1.05 H new ATOM 0 HG SER A 108 -10.470 8.333 3.567 1.00 34.45 H new ATOM 1772 N ARG A 109 -8.546 11.822 2.961 1.00 42.23 N ATOM 1773 CA ARG A 109 -8.885 13.061 3.662 1.00 43.32 C ATOM 1774 C ARG A 109 -10.376 12.996 4.085 1.00 32.40 C ATOM 1775 O ARG A 109 -11.244 13.300 3.258 1.00 52.53 O ATOM 1776 CB ARG A 109 -8.640 14.292 2.730 1.00 72.32 C ATOM 1777 CG ARG A 109 -7.276 14.340 1.982 1.00 33.00 C ATOM 1778 CD ARG A 109 -6.063 14.663 2.883 1.00 60.21 C ATOM 1779 NE ARG A 109 -5.678 13.547 3.771 1.00 71.41 N ATOM 1780 CZ ARG A 109 -5.134 13.685 4.993 1.00 55.32 C ATOM 1781 NH1 ARG A 109 -4.906 14.885 5.508 1.00 74.14 N ATOM 1782 NH2 ARG A 109 -4.831 12.609 5.701 1.00 43.22 N ATOM 0 H ARG A 109 -9.025 11.721 2.066 1.00 42.23 H new ATOM 0 HA ARG A 109 -8.255 13.172 4.545 1.00 43.32 H new ATOM 0 HB2 ARG A 109 -9.437 14.321 1.987 1.00 72.32 H new ATOM 0 HB3 ARG A 109 -8.731 15.197 3.330 1.00 72.32 H new ATOM 0 HG2 ARG A 109 -7.107 13.378 1.498 1.00 33.00 H new ATOM 0 HG3 ARG A 109 -7.335 15.088 1.192 1.00 33.00 H new ATOM 0 HD2 ARG A 109 -5.213 14.927 2.254 1.00 60.21 H new ATOM 0 HD3 ARG A 109 -6.294 15.538 3.491 1.00 60.21 H new ATOM 0 HE ARG A 109 -5.837 12.599 3.431 1.00 71.41 H new ATOM 0 HH11 ARG A 109 -5.144 15.722 4.976 1.00 74.14 H new ATOM 0 HH12 ARG A 109 -4.493 14.971 6.436 1.00 74.14 H new ATOM 0 HH21 ARG A 109 -5.010 11.680 5.319 1.00 43.22 H new ATOM 0 HH22 ARG A 109 -4.418 12.708 6.628 1.00 43.22 H new ATOM 1796 N PRO A 110 -10.717 12.512 5.327 1.00 51.41 N ATOM 1797 CA PRO A 110 -12.101 12.601 5.854 1.00 54.31 C ATOM 1798 C PRO A 110 -12.524 14.063 6.094 1.00 23.40 C ATOM 1799 O PRO A 110 -12.243 14.645 7.152 1.00 32.44 O ATOM 1800 CB PRO A 110 -12.048 11.763 7.163 1.00 43.14 C ATOM 1801 CG PRO A 110 -10.848 10.876 6.971 1.00 63.51 C ATOM 1802 CD PRO A 110 -9.841 11.764 6.273 1.00 20.05 C ATOM 0 HA PRO A 110 -12.850 12.222 5.159 1.00 54.31 H new ATOM 0 HB2 PRO A 110 -11.939 12.399 8.041 1.00 43.14 H new ATOM 0 HB3 PRO A 110 -12.958 11.180 7.302 1.00 43.14 H new ATOM 0 HG2 PRO A 110 -10.465 10.512 7.924 1.00 63.51 H new ATOM 0 HG3 PRO A 110 -11.092 10.000 6.370 1.00 63.51 H new ATOM 0 HD2 PRO A 110 -9.326 12.427 6.968 1.00 20.05 H new ATOM 0 HD3 PRO A 110 -9.074 11.188 5.755 1.00 20.05 H new ATOM 1810 N ALA A 111 -13.139 14.645 5.044 1.00 61.31 N ATOM 1811 CA ALA A 111 -13.638 16.027 5.041 1.00 71.35 C ATOM 1812 C ALA A 111 -14.727 16.186 6.116 1.00 64.11 C ATOM 1813 O ALA A 111 -15.757 15.505 6.073 1.00 20.21 O ATOM 1814 CB ALA A 111 -14.164 16.396 3.644 1.00 42.41 C ATOM 0 H ALA A 111 -13.303 14.157 4.163 1.00 61.31 H new ATOM 0 HA ALA A 111 -12.824 16.712 5.279 1.00 71.35 H new ATOM 0 HB1 ALA A 111 -14.531 17.422 3.653 1.00 42.41 H new ATOM 0 HB2 ALA A 111 -13.358 16.306 2.916 1.00 42.41 H new ATOM 0 HB3 ALA A 111 -14.976 15.722 3.371 1.00 42.41 H new ATOM 1820 N ARG A 112 -14.471 17.068 7.075 1.00 52.45 N ATOM 1821 CA ARG A 112 -15.245 17.179 8.319 1.00 63.31 C ATOM 1822 C ARG A 112 -15.567 18.664 8.617 1.00 11.52 C ATOM 1823 O ARG A 112 -16.746 18.992 8.876 1.00 62.10 O ATOM 1824 CB ARG A 112 -14.447 16.497 9.478 1.00 44.22 C ATOM 1825 CG ARG A 112 -12.967 16.950 9.592 1.00 20.52 C ATOM 1826 CD ARG A 112 -12.167 16.205 10.671 1.00 44.21 C ATOM 1827 NE ARG A 112 -12.053 14.756 10.382 1.00 61.52 N ATOM 1828 CZ ARG A 112 -10.923 14.030 10.465 1.00 43.45 C ATOM 1829 NH1 ARG A 112 -9.768 14.592 10.820 1.00 43.31 N ATOM 1830 NH2 ARG A 112 -10.963 12.731 10.205 1.00 43.21 N ATOM 1831 OXT ARG A 112 -14.646 19.511 8.532 1.00 38.18 O ATOM 0 H ARG A 112 -13.707 17.741 7.015 1.00 52.45 H new ATOM 0 HA ARG A 112 -16.200 16.664 8.219 1.00 63.31 H new ATOM 0 HB2 ARG A 112 -14.951 16.705 10.421 1.00 44.22 H new ATOM 0 HB3 ARG A 112 -14.473 15.417 9.334 1.00 44.22 H new ATOM 0 HG2 ARG A 112 -12.479 16.807 8.628 1.00 20.52 H new ATOM 0 HG3 ARG A 112 -12.940 18.018 9.807 1.00 20.52 H new ATOM 0 HD2 ARG A 112 -11.170 16.638 10.746 1.00 44.21 H new ATOM 0 HD3 ARG A 112 -12.648 16.344 11.639 1.00 44.21 H new ATOM 0 HE ARG A 112 -12.902 14.268 10.096 1.00 61.52 H new ATOM 0 HH11 ARG A 112 -9.730 15.589 11.034 1.00 43.31 H new ATOM 0 HH12 ARG A 112 -8.922 14.026 10.878 1.00 43.31 H new ATOM 0 HH21 ARG A 112 -11.845 12.290 9.945 1.00 43.21 H new ATOM 0 HH22 ARG A 112 -10.112 12.172 10.265 1.00 43.21 H new TER 1845 ARG A 112