USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 765 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 58 THR OG1 : rot 180:sc= -1.65! USER MOD Set 1.2: A 61 GLN : amide:sc= -0.638 K(o=-2.3,f=-8.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.263 (180deg=-0.185!) USER MOD Single : A 3 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.29) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-0.041) 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 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 54:sc= 0.115 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -158:sc= -0.197 (180deg=-0.74) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -65:sc= 0.734 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.695 K(o=0.69,f=-0.21) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -101:sc= 1.18 (180deg=-1.2!) USER MOD Single : A 74 ASN : amide:sc= 0.688 K(o=0.69,f=-8!) USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -0.0405 (180deg=-0.315) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc=-0.00171 K(o=-0.0017,f=-0.67) USER MOD Single : A 81 TYR OH : rot 0:sc= 0.844 USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= -2.59! (180deg=-5!) USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= -1.96! (180deg=-4.5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 44.583 -31.918 14.118 1.00 60.33 N ATOM 2 CA MET A 1 43.893 -30.951 15.012 1.00 53.21 C ATOM 3 C MET A 1 42.364 -31.065 14.887 1.00 21.42 C ATOM 4 O MET A 1 41.858 -31.740 13.991 1.00 74.24 O ATOM 5 CB MET A 1 44.341 -29.518 14.688 1.00 74.42 C ATOM 6 CG MET A 1 45.832 -29.278 14.889 1.00 31.03 C ATOM 7 SD MET A 1 46.857 -30.360 13.870 1.00 33.25 S ATOM 8 CE MET A 1 48.498 -29.809 14.335 1.00 54.10 C ATOM 0 H1 MET A 1 45.598 -31.695 14.083 1.00 60.33 H new ATOM 0 H2 MET A 1 44.453 -32.883 14.484 1.00 60.33 H new ATOM 0 H3 MET A 1 44.181 -31.854 13.161 1.00 60.33 H new ATOM 0 HA MET A 1 44.167 -31.191 16.039 1.00 53.21 H new ATOM 0 HB2 MET A 1 44.083 -29.292 13.653 1.00 74.42 H new ATOM 0 HB3 MET A 1 43.783 -28.823 15.315 1.00 74.42 H new ATOM 0 HG2 MET A 1 46.063 -28.239 14.654 1.00 31.03 H new ATOM 0 HG3 MET A 1 46.082 -29.431 15.939 1.00 31.03 H new ATOM 0 HE1 MET A 1 49.244 -30.385 13.787 1.00 54.10 H new ATOM 0 HE2 MET A 1 48.608 -28.751 14.095 1.00 54.10 H new ATOM 0 HE3 MET A 1 48.641 -29.955 15.406 1.00 54.10 H new ATOM 20 N GLY A 2 41.633 -30.408 15.791 1.00 60.41 N ATOM 21 CA GLY A 2 40.169 -30.446 15.751 1.00 31.31 C ATOM 22 C GLY A 2 39.519 -29.135 16.189 1.00 13.32 C ATOM 23 O GLY A 2 39.113 -28.987 17.343 1.00 41.55 O ATOM 0 H GLY A 2 42.024 -29.850 16.550 1.00 60.41 H new ATOM 0 HA2 GLY A 2 39.846 -30.683 14.737 1.00 31.31 H new ATOM 0 HA3 GLY A 2 39.816 -31.252 16.394 1.00 31.31 H new ATOM 27 N HIS A 3 39.422 -28.181 15.267 1.00 61.24 N ATOM 28 CA HIS A 3 38.824 -26.873 15.561 1.00 1.23 C ATOM 29 C HIS A 3 37.287 -26.936 15.655 1.00 4.12 C ATOM 30 O HIS A 3 36.588 -26.983 14.642 1.00 3.13 O ATOM 31 CB HIS A 3 39.245 -25.843 14.498 1.00 1.23 C ATOM 32 CG HIS A 3 38.823 -26.193 13.095 1.00 73.21 C ATOM 33 ND1 HIS A 3 37.954 -25.421 12.351 1.00 14.24 N ATOM 34 CD2 HIS A 3 39.154 -27.241 12.299 1.00 54.40 C ATOM 35 CE1 HIS A 3 37.772 -25.976 11.170 1.00 62.02 C ATOM 36 NE2 HIS A 3 38.487 -27.077 11.113 1.00 1.44 N ATOM 0 H HIS A 3 39.749 -28.285 14.307 1.00 61.24 H new ATOM 0 HA HIS A 3 39.196 -26.564 16.538 1.00 1.23 H new ATOM 0 HB2 HIS A 3 38.822 -24.873 14.761 1.00 1.23 H new ATOM 0 HB3 HIS A 3 40.329 -25.735 14.523 1.00 1.23 H new ATOM 0 HD2 HIS A 3 39.819 -28.053 12.553 1.00 54.40 H new ATOM 0 HE1 HIS A 3 37.142 -25.591 10.382 1.00 62.02 H new ATOM 0 HE2 HIS A 3 38.538 -27.709 10.314 1.00 1.44 H new ATOM 45 N HIS A 4 36.766 -26.947 16.881 1.00 62.23 N ATOM 46 CA HIS A 4 35.315 -26.896 17.097 1.00 60.22 C ATOM 47 C HIS A 4 34.790 -25.465 16.901 1.00 10.45 C ATOM 48 O HIS A 4 34.982 -24.599 17.756 1.00 23.04 O ATOM 49 CB HIS A 4 34.945 -27.417 18.493 1.00 21.33 C ATOM 50 CG HIS A 4 35.209 -28.882 18.676 1.00 73.31 C ATOM 51 ND1 HIS A 4 36.140 -29.380 19.565 1.00 24.21 N ATOM 52 CD2 HIS A 4 34.655 -29.966 18.079 1.00 3.10 C ATOM 53 CE1 HIS A 4 36.146 -30.695 19.507 1.00 52.12 C ATOM 54 NE2 HIS A 4 35.258 -31.078 18.616 1.00 51.23 N ATOM 0 H HIS A 4 37.320 -26.990 17.736 1.00 62.23 H new ATOM 0 HA HIS A 4 34.843 -27.544 16.359 1.00 60.22 H new ATOM 0 HB2 HIS A 4 35.508 -26.859 19.241 1.00 21.33 H new ATOM 0 HB3 HIS A 4 33.889 -27.221 18.677 1.00 21.33 H new ATOM 0 HD2 HIS A 4 33.884 -29.957 17.323 1.00 3.10 H new ATOM 0 HE1 HIS A 4 36.775 -31.349 20.093 1.00 52.12 H new ATOM 0 HE2 HIS A 4 35.050 -32.044 18.364 1.00 51.23 H new ATOM 63 N HIS A 5 34.134 -25.228 15.770 1.00 73.30 N ATOM 64 CA HIS A 5 33.667 -23.887 15.391 1.00 10.51 C ATOM 65 C HIS A 5 32.136 -23.866 15.220 1.00 41.34 C ATOM 66 O HIS A 5 31.604 -24.430 14.265 1.00 42.02 O ATOM 67 CB HIS A 5 34.369 -23.472 14.087 1.00 33.00 C ATOM 68 CG HIS A 5 34.117 -22.059 13.653 1.00 42.11 C ATOM 69 ND1 HIS A 5 33.367 -21.731 12.542 1.00 50.30 N ATOM 70 CD2 HIS A 5 34.554 -20.883 14.163 1.00 53.44 C ATOM 71 CE1 HIS A 5 33.355 -20.423 12.389 1.00 41.12 C ATOM 72 NE2 HIS A 5 34.066 -19.885 13.358 1.00 10.22 N ATOM 0 H HIS A 5 33.909 -25.953 15.088 1.00 73.30 H new ATOM 0 HA HIS A 5 33.914 -23.178 16.181 1.00 10.51 H new ATOM 0 HB2 HIS A 5 35.443 -23.612 14.210 1.00 33.00 H new ATOM 0 HB3 HIS A 5 34.049 -24.143 13.290 1.00 33.00 H new ATOM 0 HD2 HIS A 5 35.171 -20.755 15.040 1.00 53.44 H new ATOM 0 HE1 HIS A 5 32.848 -19.883 11.603 1.00 41.12 H new ATOM 0 HE2 HIS A 5 34.228 -18.887 13.489 1.00 10.22 H new ATOM 81 N HIS A 6 31.427 -23.218 16.150 1.00 32.12 N ATOM 82 CA HIS A 6 29.953 -23.195 16.114 1.00 24.24 C ATOM 83 C HIS A 6 29.387 -21.796 16.422 1.00 52.40 C ATOM 84 O HIS A 6 30.029 -20.993 17.101 1.00 0.32 O ATOM 85 CB HIS A 6 29.381 -24.210 17.120 1.00 33.34 C ATOM 86 CG HIS A 6 29.510 -23.787 18.558 1.00 50.21 C ATOM 87 ND1 HIS A 6 30.666 -23.945 19.295 1.00 11.51 N ATOM 88 CD2 HIS A 6 28.622 -23.189 19.394 1.00 41.31 C ATOM 89 CE1 HIS A 6 30.483 -23.471 20.509 1.00 15.14 C ATOM 90 NE2 HIS A 6 29.256 -23.007 20.594 1.00 34.10 N ATOM 0 H HIS A 6 31.840 -22.707 16.930 1.00 32.12 H new ATOM 0 HA HIS A 6 29.653 -23.464 15.101 1.00 24.24 H new ATOM 0 HB2 HIS A 6 28.328 -24.376 16.894 1.00 33.34 H new ATOM 0 HB3 HIS A 6 29.890 -25.165 16.986 1.00 33.34 H new ATOM 0 HD2 HIS A 6 27.606 -22.909 19.157 1.00 41.31 H new ATOM 0 HE1 HIS A 6 31.217 -23.464 21.301 1.00 15.14 H new ATOM 0 HE2 HIS A 6 28.842 -22.579 21.422 1.00 34.10 H new ATOM 99 N HIS A 7 28.191 -21.512 15.900 1.00 24.42 N ATOM 100 CA HIS A 7 27.431 -20.306 16.268 1.00 60.42 C ATOM 101 C HIS A 7 25.945 -20.454 15.889 1.00 41.43 C ATOM 102 O HIS A 7 25.615 -20.949 14.811 1.00 34.24 O ATOM 103 CB HIS A 7 28.031 -19.032 15.626 1.00 62.02 C ATOM 104 CG HIS A 7 28.085 -19.028 14.124 1.00 10.42 C ATOM 105 ND1 HIS A 7 29.259 -18.910 13.418 1.00 10.22 N ATOM 106 CD2 HIS A 7 27.101 -19.088 13.191 1.00 35.30 C ATOM 107 CE1 HIS A 7 29.002 -18.901 12.128 1.00 22.00 C ATOM 108 NE2 HIS A 7 27.701 -19.012 11.960 1.00 12.22 N ATOM 0 H HIS A 7 27.722 -22.104 15.215 1.00 24.42 H new ATOM 0 HA HIS A 7 27.503 -20.197 17.350 1.00 60.42 H new ATOM 0 HB2 HIS A 7 27.447 -18.172 15.953 1.00 62.02 H new ATOM 0 HB3 HIS A 7 29.042 -18.895 16.009 1.00 62.02 H new ATOM 0 HD2 HIS A 7 26.042 -19.179 13.382 1.00 35.30 H new ATOM 0 HE1 HIS A 7 29.735 -18.817 11.339 1.00 22.00 H new ATOM 0 HE2 HIS A 7 27.218 -19.037 11.062 1.00 12.22 H new ATOM 117 N HIS A 8 25.055 -20.042 16.790 1.00 2.02 N ATOM 118 CA HIS A 8 23.607 -20.074 16.532 1.00 35.24 C ATOM 119 C HIS A 8 22.954 -18.721 16.842 1.00 10.44 C ATOM 120 O HIS A 8 22.733 -18.377 18.006 1.00 53.11 O ATOM 121 CB HIS A 8 22.930 -21.184 17.350 1.00 72.25 C ATOM 122 CG HIS A 8 23.242 -22.570 16.864 1.00 75.03 C ATOM 123 ND1 HIS A 8 22.547 -23.178 15.840 1.00 54.41 N ATOM 124 CD2 HIS A 8 24.173 -23.470 17.264 1.00 13.15 C ATOM 125 CE1 HIS A 8 23.026 -24.387 15.639 1.00 5.41 C ATOM 126 NE2 HIS A 8 24.014 -24.590 16.485 1.00 42.01 N ATOM 0 H HIS A 8 25.307 -19.680 17.710 1.00 2.02 H new ATOM 0 HA HIS A 8 23.470 -20.285 15.471 1.00 35.24 H new ATOM 0 HB2 HIS A 8 23.240 -21.096 18.391 1.00 72.25 H new ATOM 0 HB3 HIS A 8 21.851 -21.034 17.325 1.00 72.25 H new ATOM 0 HD2 HIS A 8 24.903 -23.332 18.048 1.00 13.15 H new ATOM 0 HE1 HIS A 8 22.669 -25.093 14.904 1.00 5.41 H new ATOM 0 HE2 HIS A 8 24.571 -25.442 16.551 1.00 42.01 H new ATOM 135 N SER A 9 22.655 -17.957 15.795 1.00 52.12 N ATOM 136 CA SER A 9 21.977 -16.663 15.938 1.00 1.14 C ATOM 137 C SER A 9 20.459 -16.852 16.042 1.00 22.42 C ATOM 138 O SER A 9 19.924 -17.888 15.641 1.00 61.33 O ATOM 139 CB SER A 9 22.305 -15.754 14.745 1.00 33.11 C ATOM 140 OG SER A 9 23.701 -15.518 14.644 1.00 44.13 O ATOM 0 H SER A 9 22.871 -18.210 14.831 1.00 52.12 H new ATOM 0 HA SER A 9 22.334 -16.194 16.855 1.00 1.14 H new ATOM 0 HB2 SER A 9 21.944 -16.214 13.825 1.00 33.11 H new ATOM 0 HB3 SER A 9 21.781 -14.805 14.854 1.00 33.11 H new ATOM 0 HG SER A 9 23.880 -14.938 13.875 1.00 44.13 H new ATOM 146 N HIS A 10 19.765 -15.856 16.586 1.00 11.02 N ATOM 147 CA HIS A 10 18.306 -15.934 16.751 1.00 14.33 C ATOM 148 C HIS A 10 17.601 -14.745 16.075 1.00 74.41 C ATOM 149 O HIS A 10 17.593 -13.628 16.597 1.00 31.34 O ATOM 150 CB HIS A 10 17.948 -16.000 18.241 1.00 14.33 C ATOM 151 CG HIS A 10 18.520 -17.200 18.936 1.00 32.34 C ATOM 152 ND1 HIS A 10 17.882 -18.421 18.989 1.00 12.21 N ATOM 153 CD2 HIS A 10 19.695 -17.371 19.589 1.00 65.24 C ATOM 154 CE1 HIS A 10 18.634 -19.284 19.641 1.00 53.31 C ATOM 155 NE2 HIS A 10 19.736 -18.675 20.015 1.00 74.31 N ATOM 0 H HIS A 10 20.182 -14.987 16.920 1.00 11.02 H new ATOM 0 HA HIS A 10 17.956 -16.844 16.263 1.00 14.33 H new ATOM 0 HB2 HIS A 10 18.308 -15.097 18.734 1.00 14.33 H new ATOM 0 HB3 HIS A 10 16.863 -16.010 18.347 1.00 14.33 H new ATOM 0 HD2 HIS A 10 20.457 -16.621 19.745 1.00 65.24 H new ATOM 0 HE1 HIS A 10 18.386 -20.317 19.835 1.00 53.31 H new ATOM 0 HE2 HIS A 10 20.500 -19.103 20.538 1.00 74.31 H new ATOM 164 N MET A 11 17.012 -15.003 14.908 1.00 72.31 N ATOM 165 CA MET A 11 16.337 -13.970 14.114 1.00 72.33 C ATOM 166 C MET A 11 14.969 -14.471 13.608 1.00 60.45 C ATOM 167 O MET A 11 14.736 -15.681 13.538 1.00 60.20 O ATOM 168 CB MET A 11 17.234 -13.566 12.931 1.00 61.11 C ATOM 169 CG MET A 11 16.635 -12.501 12.021 1.00 71.12 C ATOM 170 SD MET A 11 17.765 -11.988 10.711 1.00 72.01 S ATOM 171 CE MET A 11 16.724 -10.862 9.783 1.00 1.22 C ATOM 0 H MET A 11 16.988 -15.931 14.485 1.00 72.31 H new ATOM 0 HA MET A 11 16.160 -13.099 14.746 1.00 72.33 H new ATOM 0 HB2 MET A 11 18.185 -13.201 13.320 1.00 61.11 H new ATOM 0 HB3 MET A 11 17.452 -14.453 12.337 1.00 61.11 H new ATOM 0 HG2 MET A 11 15.718 -12.885 11.574 1.00 71.12 H new ATOM 0 HG3 MET A 11 16.359 -11.632 12.618 1.00 71.12 H new ATOM 0 HE1 MET A 11 17.284 -10.461 8.938 1.00 1.22 H new ATOM 0 HE2 MET A 11 15.847 -11.396 9.417 1.00 1.22 H new ATOM 0 HE3 MET A 11 16.407 -10.043 10.429 1.00 1.22 H new ATOM 181 N ALA A 12 14.074 -13.536 13.268 1.00 74.15 N ATOM 182 CA ALA A 12 12.727 -13.862 12.762 1.00 71.21 C ATOM 183 C ALA A 12 11.839 -14.478 13.857 1.00 52.01 C ATOM 184 O ALA A 12 11.713 -15.701 13.973 1.00 54.44 O ATOM 185 CB ALA A 12 12.799 -14.775 11.536 1.00 42.11 C ATOM 0 H ALA A 12 14.258 -12.535 13.334 1.00 74.15 H new ATOM 0 HA ALA A 12 12.264 -12.924 12.456 1.00 71.21 H new ATOM 0 HB1 ALA A 12 11.790 -14.997 11.188 1.00 42.11 H new ATOM 0 HB2 ALA A 12 13.355 -14.276 10.743 1.00 42.11 H new ATOM 0 HB3 ALA A 12 13.303 -15.704 11.803 1.00 42.11 H new ATOM 191 N LYS A 13 11.228 -13.614 14.661 1.00 34.33 N ATOM 192 CA LYS A 13 10.359 -14.040 15.765 1.00 14.24 C ATOM 193 C LYS A 13 8.872 -13.823 15.422 1.00 34.33 C ATOM 194 O LYS A 13 8.516 -12.815 14.802 1.00 1.52 O ATOM 195 CB LYS A 13 10.722 -13.262 17.040 1.00 21.11 C ATOM 196 CG LYS A 13 12.170 -13.455 17.485 1.00 43.03 C ATOM 197 CD LYS A 13 12.510 -12.624 18.724 1.00 25.12 C ATOM 198 CE LYS A 13 12.424 -11.124 18.452 1.00 0.14 C ATOM 199 NZ LYS A 13 12.779 -10.321 19.654 1.00 71.35 N ATOM 0 H LYS A 13 11.317 -12.602 14.571 1.00 34.33 H new ATOM 0 HA LYS A 13 10.514 -15.106 15.930 1.00 14.24 H new ATOM 0 HB2 LYS A 13 10.541 -12.200 16.871 1.00 21.11 H new ATOM 0 HB3 LYS A 13 10.059 -13.574 17.847 1.00 21.11 H new ATOM 0 HG2 LYS A 13 12.345 -14.510 17.698 1.00 43.03 H new ATOM 0 HG3 LYS A 13 12.839 -13.179 16.670 1.00 43.03 H new ATOM 0 HD2 LYS A 13 11.828 -12.885 19.533 1.00 25.12 H new ATOM 0 HD3 LYS A 13 13.516 -12.873 19.062 1.00 25.12 H new ATOM 0 HE2 LYS A 13 13.093 -10.865 17.632 1.00 0.14 H new ATOM 0 HE3 LYS A 13 11.414 -10.870 18.131 1.00 0.14 H new ATOM 0 HZ1 LYS A 13 12.708 -9.308 19.428 1.00 71.35 H new ATOM 0 HZ2 LYS A 13 12.125 -10.549 20.430 1.00 71.35 H new ATOM 0 HZ3 LYS A 13 13.752 -10.544 19.945 1.00 71.35 H new ATOM 213 N PRO A 14 7.982 -14.754 15.828 1.00 45.42 N ATOM 214 CA PRO A 14 6.536 -14.646 15.548 1.00 40.44 C ATOM 215 C PRO A 14 5.912 -13.376 16.155 1.00 2.31 C ATOM 216 O PRO A 14 5.689 -13.290 17.366 1.00 34.01 O ATOM 217 CB PRO A 14 5.944 -15.918 16.184 1.00 73.34 C ATOM 218 CG PRO A 14 6.968 -16.370 17.173 1.00 43.33 C ATOM 219 CD PRO A 14 8.300 -15.977 16.591 1.00 13.44 C ATOM 0 HA PRO A 14 6.333 -14.567 14.480 1.00 40.44 H new ATOM 0 HB2 PRO A 14 4.991 -15.709 16.670 1.00 73.34 H new ATOM 0 HB3 PRO A 14 5.757 -16.684 15.432 1.00 73.34 H new ATOM 0 HG2 PRO A 14 6.810 -15.898 18.143 1.00 43.33 H new ATOM 0 HG3 PRO A 14 6.912 -17.447 17.330 1.00 43.33 H new ATOM 0 HD2 PRO A 14 9.040 -15.786 17.369 1.00 13.44 H new ATOM 0 HD3 PRO A 14 8.706 -16.759 15.949 1.00 13.44 H new ATOM 227 N THR A 15 5.644 -12.387 15.304 1.00 20.20 N ATOM 228 CA THR A 15 5.121 -11.092 15.754 1.00 73.04 C ATOM 229 C THR A 15 3.602 -11.005 15.553 1.00 41.11 C ATOM 230 O THR A 15 3.119 -10.911 14.424 1.00 31.22 O ATOM 231 CB THR A 15 5.805 -9.919 15.003 1.00 55.10 C ATOM 232 OG1 THR A 15 7.236 -10.014 15.143 1.00 1.25 O ATOM 233 CG2 THR A 15 5.333 -8.568 15.534 1.00 44.52 C ATOM 0 H THR A 15 5.780 -12.455 14.295 1.00 20.20 H new ATOM 0 HA THR A 15 5.343 -11.011 16.818 1.00 73.04 H new ATOM 0 HB THR A 15 5.530 -9.991 13.951 1.00 55.10 H new ATOM 0 HG1 THR A 15 7.534 -10.904 14.861 1.00 1.25 H new ATOM 0 HG21 THR A 15 5.831 -7.768 14.987 1.00 44.52 H new ATOM 0 HG22 THR A 15 4.255 -8.482 15.401 1.00 44.52 H new ATOM 0 HG23 THR A 15 5.576 -8.489 16.594 1.00 44.52 H new ATOM 241 N ALA A 16 2.854 -11.039 16.657 1.00 54.44 N ATOM 242 CA ALA A 16 1.387 -10.990 16.604 1.00 22.45 C ATOM 243 C ALA A 16 0.878 -9.584 16.240 1.00 25.54 C ATOM 244 O ALA A 16 1.173 -8.607 16.934 1.00 1.44 O ATOM 245 CB ALA A 16 0.792 -11.440 17.938 1.00 32.30 C ATOM 0 H ALA A 16 3.237 -11.100 17.600 1.00 54.44 H new ATOM 0 HA ALA A 16 1.062 -11.673 15.820 1.00 22.45 H new ATOM 0 HB1 ALA A 16 -0.296 -11.398 17.884 1.00 32.30 H new ATOM 0 HB2 ALA A 16 1.106 -12.462 18.150 1.00 32.30 H new ATOM 0 HB3 ALA A 16 1.141 -10.781 18.733 1.00 32.30 H new ATOM 251 N ARG A 17 0.114 -9.493 15.152 1.00 22.51 N ATOM 252 CA ARG A 17 -0.436 -8.214 14.680 1.00 34.13 C ATOM 253 C ARG A 17 -1.911 -8.043 15.098 1.00 61.14 C ATOM 254 O ARG A 17 -2.595 -9.018 15.424 1.00 5.24 O ATOM 255 CB ARG A 17 -0.307 -8.127 13.148 1.00 64.32 C ATOM 256 CG ARG A 17 -0.841 -6.825 12.556 1.00 54.25 C ATOM 257 CD ARG A 17 -0.869 -6.843 11.033 1.00 60.33 C ATOM 258 NE ARG A 17 -1.507 -5.642 10.499 1.00 34.24 N ATOM 259 CZ ARG A 17 -2.157 -5.589 9.369 1.00 74.22 C ATOM 260 NH1 ARG A 17 -2.239 -6.624 8.600 1.00 71.13 N ATOM 261 NH2 ARG A 17 -2.724 -4.490 9.002 1.00 4.44 N ATOM 0 H ARG A 17 -0.142 -10.294 14.574 1.00 22.51 H new ATOM 0 HA ARG A 17 0.135 -7.409 15.142 1.00 34.13 H new ATOM 0 HB2 ARG A 17 0.743 -8.236 12.875 1.00 64.32 H new ATOM 0 HB3 ARG A 17 -0.841 -8.965 12.700 1.00 64.32 H new ATOM 0 HG2 ARG A 17 -1.848 -6.645 12.932 1.00 54.25 H new ATOM 0 HG3 ARG A 17 -0.221 -5.995 12.895 1.00 54.25 H new ATOM 0 HD2 ARG A 17 0.149 -6.918 10.649 1.00 60.33 H new ATOM 0 HD3 ARG A 17 -1.406 -7.727 10.688 1.00 60.33 H new ATOM 0 HE ARG A 17 -1.440 -4.785 11.048 1.00 34.24 H new ATOM 0 HH11 ARG A 17 -1.792 -7.499 8.873 1.00 71.13 H new ATOM 0 HH12 ARG A 17 -2.751 -6.566 7.720 1.00 71.13 H new ATOM 0 HH21 ARG A 17 -2.664 -3.662 9.595 1.00 4.44 H new ATOM 0 HH22 ARG A 17 -3.232 -4.449 8.119 1.00 4.44 H new ATOM 275 N GLY A 18 -2.391 -6.799 15.091 1.00 32.42 N ATOM 276 CA GLY A 18 -3.791 -6.522 15.401 1.00 74.32 C ATOM 277 C GLY A 18 -4.771 -7.197 14.439 1.00 71.31 C ATOM 278 O GLY A 18 -4.391 -7.655 13.358 1.00 13.15 O ATOM 0 H GLY A 18 -1.834 -5.973 14.875 1.00 32.42 H new ATOM 0 HA2 GLY A 18 -4.003 -6.855 16.417 1.00 74.32 H new ATOM 0 HA3 GLY A 18 -3.954 -5.445 15.378 1.00 74.32 H new ATOM 282 N GLU A 19 -6.037 -7.250 14.833 1.00 24.42 N ATOM 283 CA GLU A 19 -7.073 -7.941 14.057 1.00 43.44 C ATOM 284 C GLU A 19 -7.627 -7.051 12.929 1.00 10.33 C ATOM 285 O GLU A 19 -8.221 -6.003 13.184 1.00 73.41 O ATOM 286 CB GLU A 19 -8.205 -8.362 15.000 1.00 60.21 C ATOM 287 CG GLU A 19 -7.742 -9.263 16.143 1.00 3.21 C ATOM 288 CD GLU A 19 -8.686 -9.230 17.333 1.00 30.41 C ATOM 289 OE1 GLU A 19 -9.709 -9.946 17.309 1.00 12.51 O ATOM 290 OE2 GLU A 19 -8.413 -8.473 18.291 1.00 52.40 O ATOM 0 H GLU A 19 -6.379 -6.820 15.693 1.00 24.42 H new ATOM 0 HA GLU A 19 -6.628 -8.819 13.590 1.00 43.44 H new ATOM 0 HB2 GLU A 19 -8.671 -7.469 15.417 1.00 60.21 H new ATOM 0 HB3 GLU A 19 -8.971 -8.882 14.425 1.00 60.21 H new ATOM 0 HG2 GLU A 19 -7.656 -10.287 15.781 1.00 3.21 H new ATOM 0 HG3 GLU A 19 -6.747 -8.954 16.464 1.00 3.21 H new ATOM 297 N ALA A 20 -7.431 -7.476 11.683 1.00 21.01 N ATOM 298 CA ALA A 20 -7.946 -6.748 10.521 1.00 2.34 C ATOM 299 C ALA A 20 -8.502 -7.716 9.465 1.00 12.03 C ATOM 300 O ALA A 20 -7.746 -8.428 8.800 1.00 51.34 O ATOM 301 CB ALA A 20 -6.850 -5.873 9.920 1.00 23.20 C ATOM 0 H ALA A 20 -6.917 -8.325 11.449 1.00 21.01 H new ATOM 0 HA ALA A 20 -8.764 -6.109 10.853 1.00 2.34 H new ATOM 0 HB1 ALA A 20 -7.245 -5.337 9.057 1.00 23.20 H new ATOM 0 HB2 ALA A 20 -6.506 -5.157 10.666 1.00 23.20 H new ATOM 0 HB3 ALA A 20 -6.015 -6.500 9.607 1.00 23.20 H new ATOM 307 N GLY A 21 -9.828 -7.744 9.321 1.00 14.31 N ATOM 308 CA GLY A 21 -10.471 -8.661 8.381 1.00 1.41 C ATOM 309 C GLY A 21 -10.898 -7.989 7.079 1.00 12.14 C ATOM 310 O GLY A 21 -11.911 -8.360 6.480 1.00 52.15 O ATOM 0 H GLY A 21 -10.473 -7.147 9.839 1.00 14.31 H new ATOM 0 HA2 GLY A 21 -9.785 -9.477 8.153 1.00 1.41 H new ATOM 0 HA3 GLY A 21 -11.346 -9.104 8.857 1.00 1.41 H new ATOM 314 N SER A 22 -10.127 -7.003 6.637 1.00 1.33 N ATOM 315 CA SER A 22 -10.436 -6.265 5.403 1.00 64.20 C ATOM 316 C SER A 22 -9.936 -7.005 4.154 1.00 52.23 C ATOM 317 O SER A 22 -8.898 -7.670 4.185 1.00 4.31 O ATOM 318 CB SER A 22 -9.812 -4.862 5.443 1.00 62.01 C ATOM 319 OG SER A 22 -10.355 -4.082 6.497 1.00 5.12 O ATOM 0 H SER A 22 -9.280 -6.690 7.111 1.00 1.33 H new ATOM 0 HA SER A 22 -11.521 -6.184 5.343 1.00 64.20 H new ATOM 0 HB2 SER A 22 -8.733 -4.946 5.570 1.00 62.01 H new ATOM 0 HB3 SER A 22 -9.983 -4.359 4.491 1.00 62.01 H new ATOM 0 HG SER A 22 -9.937 -3.196 6.497 1.00 5.12 H new ATOM 325 N ARG A 23 -10.686 -6.873 3.057 1.00 75.22 N ATOM 326 CA ARG A 23 -10.327 -7.485 1.766 1.00 12.54 C ATOM 327 C ARG A 23 -8.848 -7.246 1.398 1.00 50.43 C ATOM 328 O ARG A 23 -8.111 -8.188 1.096 1.00 52.53 O ATOM 329 CB ARG A 23 -11.240 -6.922 0.664 1.00 12.21 C ATOM 330 CG ARG A 23 -12.708 -7.314 0.827 1.00 42.32 C ATOM 331 CD ARG A 23 -13.637 -6.452 -0.027 1.00 1.41 C ATOM 332 NE ARG A 23 -13.246 -6.435 -1.436 1.00 71.30 N ATOM 333 CZ ARG A 23 -14.087 -6.465 -2.435 1.00 11.14 C ATOM 334 NH1 ARG A 23 -15.360 -6.553 -2.221 1.00 62.33 N ATOM 335 NH2 ARG A 23 -13.647 -6.404 -3.651 1.00 53.23 N ATOM 0 H ARG A 23 -11.557 -6.342 3.034 1.00 75.22 H new ATOM 0 HA ARG A 23 -10.467 -8.562 1.857 1.00 12.54 H new ATOM 0 HB2 ARG A 23 -11.161 -5.835 0.659 1.00 12.21 H new ATOM 0 HB3 ARG A 23 -10.884 -7.272 -0.305 1.00 12.21 H new ATOM 0 HG2 ARG A 23 -12.835 -8.361 0.553 1.00 42.32 H new ATOM 0 HG3 ARG A 23 -12.992 -7.222 1.875 1.00 42.32 H new ATOM 0 HD2 ARG A 23 -14.657 -6.827 0.059 1.00 1.41 H new ATOM 0 HD3 ARG A 23 -13.638 -5.433 0.359 1.00 1.41 H new ATOM 0 HE ARG A 23 -12.250 -6.397 -1.653 1.00 71.30 H new ATOM 0 HH11 ARG A 23 -15.715 -6.600 -1.266 1.00 62.33 H new ATOM 0 HH12 ARG A 23 -16.009 -6.576 -3.008 1.00 62.33 H new ATOM 0 HH21 ARG A 23 -12.645 -6.333 -3.828 1.00 53.23 H new ATOM 0 HH22 ARG A 23 -14.302 -6.427 -4.432 1.00 53.23 H new ATOM 349 N ASP A 24 -8.428 -5.985 1.431 1.00 64.24 N ATOM 350 CA ASP A 24 -7.042 -5.612 1.132 1.00 35.11 C ATOM 351 C ASP A 24 -6.050 -6.287 2.103 1.00 50.23 C ATOM 352 O ASP A 24 -4.999 -6.788 1.693 1.00 31.32 O ATOM 353 CB ASP A 24 -6.900 -4.089 1.204 1.00 23.51 C ATOM 354 CG ASP A 24 -7.911 -3.381 0.318 1.00 14.33 C ATOM 355 OD1 ASP A 24 -9.092 -3.292 0.718 1.00 72.22 O ATOM 356 OD2 ASP A 24 -7.544 -2.941 -0.787 1.00 64.05 O ATOM 0 H ASP A 24 -9.031 -5.195 1.663 1.00 64.24 H new ATOM 0 HA ASP A 24 -6.802 -5.958 0.127 1.00 35.11 H new ATOM 0 HB2 ASP A 24 -7.029 -3.761 2.235 1.00 23.51 H new ATOM 0 HB3 ASP A 24 -5.892 -3.804 0.903 1.00 23.51 H new ATOM 361 N GLU A 25 -6.399 -6.303 3.391 1.00 0.04 N ATOM 362 CA GLU A 25 -5.552 -6.916 4.426 1.00 41.33 C ATOM 363 C GLU A 25 -5.270 -8.399 4.140 1.00 44.24 C ATOM 364 O GLU A 25 -4.167 -8.887 4.392 1.00 4.04 O ATOM 365 CB GLU A 25 -6.204 -6.760 5.808 1.00 65.24 C ATOM 366 CG GLU A 25 -6.223 -5.324 6.332 1.00 4.43 C ATOM 367 CD GLU A 25 -4.835 -4.768 6.632 1.00 42.10 C ATOM 368 OE1 GLU A 25 -3.875 -5.555 6.739 1.00 2.42 O ATOM 369 OE2 GLU A 25 -4.697 -3.533 6.771 1.00 75.34 O ATOM 0 H GLU A 25 -7.265 -5.898 3.747 1.00 0.04 H new ATOM 0 HA GLU A 25 -4.596 -6.393 4.414 1.00 41.33 H new ATOM 0 HB2 GLU A 25 -7.228 -7.131 5.758 1.00 65.24 H new ATOM 0 HB3 GLU A 25 -5.672 -7.389 6.522 1.00 65.24 H new ATOM 0 HG2 GLU A 25 -6.711 -4.684 5.597 1.00 4.43 H new ATOM 0 HG3 GLU A 25 -6.826 -5.285 7.239 1.00 4.43 H new ATOM 376 N ARG A 26 -6.262 -9.105 3.600 1.00 24.31 N ATOM 377 CA ARG A 26 -6.104 -10.527 3.258 1.00 75.01 C ATOM 378 C ARG A 26 -4.972 -10.728 2.233 1.00 51.43 C ATOM 379 O ARG A 26 -4.323 -11.775 2.200 1.00 55.54 O ATOM 380 CB ARG A 26 -7.420 -11.103 2.711 1.00 25.20 C ATOM 381 CG ARG A 26 -8.615 -10.902 3.640 1.00 30.31 C ATOM 382 CD ARG A 26 -9.859 -11.630 3.132 1.00 42.52 C ATOM 383 NE ARG A 26 -10.161 -11.307 1.737 1.00 3.12 N ATOM 384 CZ ARG A 26 -11.357 -11.065 1.276 1.00 42.42 C ATOM 385 NH1 ARG A 26 -12.373 -10.991 2.072 1.00 22.21 N ATOM 386 NH2 ARG A 26 -11.527 -10.867 0.013 1.00 52.44 N ATOM 0 H ARG A 26 -7.183 -8.721 3.388 1.00 24.31 H new ATOM 0 HA ARG A 26 -5.839 -11.061 4.171 1.00 75.01 H new ATOM 0 HB2 ARG A 26 -7.637 -10.638 1.749 1.00 25.20 H new ATOM 0 HB3 ARG A 26 -7.290 -12.170 2.527 1.00 25.20 H new ATOM 0 HG2 ARG A 26 -8.365 -11.263 4.637 1.00 30.31 H new ATOM 0 HG3 ARG A 26 -8.829 -9.837 3.731 1.00 30.31 H new ATOM 0 HD2 ARG A 26 -9.713 -12.706 3.230 1.00 42.52 H new ATOM 0 HD3 ARG A 26 -10.712 -11.366 3.757 1.00 42.52 H new ATOM 0 HE ARG A 26 -9.382 -11.268 1.079 1.00 3.12 H new ATOM 0 HH11 ARG A 26 -12.245 -11.123 3.075 1.00 22.21 H new ATOM 0 HH12 ARG A 26 -13.302 -10.801 1.697 1.00 22.21 H new ATOM 0 HH21 ARG A 26 -10.728 -10.900 -0.620 1.00 52.44 H new ATOM 0 HH22 ARG A 26 -12.460 -10.677 -0.352 1.00 52.44 H new ATOM 400 N ARG A 27 -4.746 -9.713 1.400 1.00 42.41 N ATOM 401 CA ARG A 27 -3.642 -9.725 0.435 1.00 11.21 C ATOM 402 C ARG A 27 -2.316 -9.384 1.130 1.00 51.11 C ATOM 403 O ARG A 27 -1.281 -10.007 0.877 1.00 31.24 O ATOM 404 CB ARG A 27 -3.912 -8.709 -0.685 1.00 65.44 C ATOM 405 CG ARG A 27 -5.223 -8.941 -1.432 1.00 22.15 C ATOM 406 CD ARG A 27 -5.199 -10.225 -2.257 1.00 45.34 C ATOM 407 NE ARG A 27 -4.255 -10.148 -3.371 1.00 2.22 N ATOM 408 CZ ARG A 27 -4.602 -10.186 -4.629 1.00 64.10 C ATOM 409 NH1 ARG A 27 -5.845 -10.326 -4.965 1.00 61.30 N ATOM 410 NH2 ARG A 27 -3.709 -10.103 -5.556 1.00 52.20 N ATOM 0 H ARG A 27 -5.315 -8.867 1.373 1.00 42.41 H new ATOM 0 HA ARG A 27 -3.569 -10.725 0.007 1.00 11.21 H new ATOM 0 HB2 ARG A 27 -3.922 -7.707 -0.257 1.00 65.44 H new ATOM 0 HB3 ARG A 27 -3.089 -8.743 -1.398 1.00 65.44 H new ATOM 0 HG2 ARG A 27 -6.044 -8.987 -0.716 1.00 22.15 H new ATOM 0 HG3 ARG A 27 -5.420 -8.093 -2.088 1.00 22.15 H new ATOM 0 HD2 ARG A 27 -4.932 -11.063 -1.614 1.00 45.34 H new ATOM 0 HD3 ARG A 27 -6.198 -10.426 -2.643 1.00 45.34 H new ATOM 0 HE ARG A 27 -3.263 -10.059 -3.151 1.00 2.22 H new ATOM 0 HH11 ARG A 27 -6.562 -10.408 -4.244 1.00 61.30 H new ATOM 0 HH12 ARG A 27 -6.107 -10.355 -5.950 1.00 61.30 H new ATOM 0 HH21 ARG A 27 -2.724 -10.007 -5.308 1.00 52.20 H new ATOM 0 HH22 ARG A 27 -3.988 -10.133 -6.537 1.00 52.20 H new ATOM 424 N ALA A 28 -2.367 -8.391 2.017 1.00 54.04 N ATOM 425 CA ALA A 28 -1.190 -7.941 2.767 1.00 63.14 C ATOM 426 C ALA A 28 -0.536 -9.089 3.553 1.00 22.34 C ATOM 427 O ALA A 28 0.657 -9.363 3.400 1.00 2.23 O ATOM 428 CB ALA A 28 -1.582 -6.811 3.713 1.00 3.41 C ATOM 0 H ALA A 28 -3.220 -7.877 2.237 1.00 54.04 H new ATOM 0 HA ALA A 28 -0.455 -7.579 2.048 1.00 63.14 H new ATOM 0 HB1 ALA A 28 -0.704 -6.480 4.268 1.00 3.41 H new ATOM 0 HB2 ALA A 28 -1.983 -5.977 3.137 1.00 3.41 H new ATOM 0 HB3 ALA A 28 -2.340 -7.167 4.411 1.00 3.41 H new ATOM 434 N LEU A 29 -1.323 -9.760 4.391 1.00 34.33 N ATOM 435 CA LEU A 29 -0.816 -10.870 5.209 1.00 23.33 C ATOM 436 C LEU A 29 -0.361 -12.061 4.345 1.00 64.13 C ATOM 437 O LEU A 29 0.473 -12.862 4.769 1.00 53.12 O ATOM 438 CB LEU A 29 -1.879 -11.295 6.244 1.00 54.13 C ATOM 439 CG LEU A 29 -3.271 -11.670 5.689 1.00 71.54 C ATOM 440 CD1 LEU A 29 -3.307 -13.109 5.171 1.00 23.43 C ATOM 441 CD2 LEU A 29 -4.350 -11.446 6.747 1.00 11.32 C ATOM 0 H LEU A 29 -2.314 -9.558 4.525 1.00 34.33 H new ATOM 0 HA LEU A 29 0.067 -10.520 5.744 1.00 23.33 H new ATOM 0 HB2 LEU A 29 -1.492 -12.149 6.799 1.00 54.13 H new ATOM 0 HB3 LEU A 29 -2.004 -10.481 6.958 1.00 54.13 H new ATOM 0 HG LEU A 29 -3.474 -11.015 4.842 1.00 71.54 H new ATOM 0 HD11 LEU A 29 -4.303 -13.334 4.789 1.00 23.43 H new ATOM 0 HD12 LEU A 29 -2.577 -13.226 4.370 1.00 23.43 H new ATOM 0 HD13 LEU A 29 -3.067 -13.794 5.984 1.00 23.43 H new ATOM 0 HD21 LEU A 29 -5.323 -11.716 6.337 1.00 11.32 H new ATOM 0 HD22 LEU A 29 -4.139 -12.066 7.619 1.00 11.32 H new ATOM 0 HD23 LEU A 29 -4.359 -10.397 7.041 1.00 11.32 H new ATOM 453 N ALA A 30 -0.896 -12.162 3.126 1.00 43.44 N ATOM 454 CA ALA A 30 -0.522 -13.237 2.197 1.00 51.24 C ATOM 455 C ALA A 30 0.903 -13.037 1.649 1.00 73.15 C ATOM 456 O ALA A 30 1.728 -13.952 1.682 1.00 32.21 O ATOM 457 CB ALA A 30 -1.527 -13.309 1.050 1.00 71.22 C ATOM 0 H ALA A 30 -1.591 -11.513 2.757 1.00 43.44 H new ATOM 0 HA ALA A 30 -0.537 -14.179 2.746 1.00 51.24 H new ATOM 0 HB1 ALA A 30 -1.242 -14.109 0.366 1.00 71.22 H new ATOM 0 HB2 ALA A 30 -2.521 -13.510 1.449 1.00 71.22 H new ATOM 0 HB3 ALA A 30 -1.536 -12.360 0.514 1.00 71.22 H new ATOM 463 N MET A 31 1.189 -11.827 1.167 1.00 12.02 N ATOM 464 CA MET A 31 2.517 -11.494 0.624 1.00 53.35 C ATOM 465 C MET A 31 3.492 -11.048 1.730 1.00 24.21 C ATOM 466 O MET A 31 4.610 -10.617 1.446 1.00 1.55 O ATOM 467 CB MET A 31 2.390 -10.392 -0.438 1.00 75.31 C ATOM 468 CG MET A 31 1.626 -10.820 -1.687 1.00 22.31 C ATOM 469 SD MET A 31 2.474 -12.113 -2.614 1.00 43.21 S ATOM 470 CE MET A 31 4.022 -11.294 -3.024 1.00 73.51 C ATOM 0 H MET A 31 0.521 -11.057 1.139 1.00 12.02 H new ATOM 0 HA MET A 31 2.923 -12.397 0.167 1.00 53.35 H new ATOM 0 HB2 MET A 31 1.889 -9.531 0.005 1.00 75.31 H new ATOM 0 HB3 MET A 31 3.388 -10.065 -0.729 1.00 75.31 H new ATOM 0 HG2 MET A 31 0.637 -11.175 -1.399 1.00 22.31 H new ATOM 0 HG3 MET A 31 1.478 -9.954 -2.332 1.00 22.31 H new ATOM 0 HE1 MET A 31 4.473 -11.780 -3.890 1.00 73.51 H new ATOM 0 HE2 MET A 31 3.829 -10.246 -3.255 1.00 73.51 H new ATOM 0 HE3 MET A 31 4.704 -11.359 -2.176 1.00 73.51 H new ATOM 480 N LYS A 32 3.052 -11.164 2.986 1.00 1.33 N ATOM 481 CA LYS A 32 3.847 -10.762 4.157 1.00 71.13 C ATOM 482 C LYS A 32 4.130 -9.247 4.171 1.00 60.04 C ATOM 483 O LYS A 32 5.250 -8.806 3.904 1.00 72.31 O ATOM 484 CB LYS A 32 5.167 -11.556 4.238 1.00 54.23 C ATOM 485 CG LYS A 32 4.976 -13.068 4.358 1.00 73.24 C ATOM 486 CD LYS A 32 6.309 -13.791 4.560 1.00 42.30 C ATOM 487 CE LYS A 32 7.005 -13.338 5.839 1.00 12.10 C ATOM 488 NZ LYS A 32 8.293 -14.047 6.068 1.00 25.11 N ATOM 0 H LYS A 32 2.134 -11.539 3.223 1.00 1.33 H new ATOM 0 HA LYS A 32 3.249 -10.996 5.038 1.00 71.13 H new ATOM 0 HB2 LYS A 32 5.762 -11.345 3.349 1.00 54.23 H new ATOM 0 HB3 LYS A 32 5.739 -11.203 5.096 1.00 54.23 H new ATOM 0 HG2 LYS A 32 4.313 -13.286 5.195 1.00 73.24 H new ATOM 0 HG3 LYS A 32 4.489 -13.446 3.459 1.00 73.24 H new ATOM 0 HD2 LYS A 32 6.138 -14.867 4.600 1.00 42.30 H new ATOM 0 HD3 LYS A 32 6.959 -13.603 3.705 1.00 42.30 H new ATOM 0 HE2 LYS A 32 7.189 -12.265 5.788 1.00 12.10 H new ATOM 0 HE3 LYS A 32 6.344 -13.509 6.689 1.00 12.10 H new ATOM 0 HZ1 LYS A 32 8.726 -13.704 6.949 1.00 25.11 H new ATOM 0 HZ2 LYS A 32 8.118 -15.069 6.144 1.00 25.11 H new ATOM 0 HZ3 LYS A 32 8.936 -13.864 5.272 1.00 25.11 H new ATOM 502 N ILE A 33 3.098 -8.453 4.453 1.00 32.40 N ATOM 503 CA ILE A 33 3.244 -6.998 4.583 1.00 0.15 C ATOM 504 C ILE A 33 3.107 -6.568 6.057 1.00 63.34 C ATOM 505 O ILE A 33 2.052 -6.748 6.666 1.00 44.42 O ATOM 506 CB ILE A 33 2.190 -6.250 3.726 1.00 41.42 C ATOM 507 CG1 ILE A 33 2.299 -6.666 2.245 1.00 41.21 C ATOM 508 CG2 ILE A 33 2.345 -4.738 3.874 1.00 53.11 C ATOM 509 CD1 ILE A 33 3.656 -6.405 1.619 1.00 34.20 C ATOM 0 H ILE A 33 2.147 -8.792 4.597 1.00 32.40 H new ATOM 0 HA ILE A 33 4.238 -6.735 4.222 1.00 0.15 H new ATOM 0 HB ILE A 33 1.200 -6.527 4.087 1.00 41.42 H new ATOM 0 HG12 ILE A 33 2.072 -7.729 2.161 1.00 41.21 H new ATOM 0 HG13 ILE A 33 1.540 -6.132 1.673 1.00 41.21 H new ATOM 0 HG21 ILE A 33 1.595 -4.234 3.264 1.00 53.11 H new ATOM 0 HG22 ILE A 33 2.210 -4.459 4.919 1.00 53.11 H new ATOM 0 HG23 ILE A 33 3.341 -4.440 3.545 1.00 53.11 H new ATOM 0 HD11 ILE A 33 3.644 -6.727 0.578 1.00 34.20 H new ATOM 0 HD12 ILE A 33 3.880 -5.339 1.667 1.00 34.20 H new ATOM 0 HD13 ILE A 33 4.420 -6.961 2.162 1.00 34.20 H new ATOM 521 N PRO A 34 4.180 -6.007 6.656 1.00 1.43 N ATOM 522 CA PRO A 34 4.194 -5.632 8.087 1.00 21.34 C ATOM 523 C PRO A 34 3.351 -4.386 8.419 1.00 15.24 C ATOM 524 O PRO A 34 2.912 -4.211 9.559 1.00 64.24 O ATOM 525 CB PRO A 34 5.683 -5.365 8.355 1.00 35.30 C ATOM 526 CG PRO A 34 6.232 -4.934 7.035 1.00 50.43 C ATOM 527 CD PRO A 34 5.469 -5.713 5.995 1.00 12.04 C ATOM 0 HA PRO A 34 3.752 -6.413 8.706 1.00 21.34 H new ATOM 0 HB2 PRO A 34 5.817 -4.592 9.112 1.00 35.30 H new ATOM 0 HB3 PRO A 34 6.187 -6.260 8.721 1.00 35.30 H new ATOM 0 HG2 PRO A 34 6.104 -3.861 6.891 1.00 50.43 H new ATOM 0 HG3 PRO A 34 7.301 -5.139 6.971 1.00 50.43 H new ATOM 0 HD2 PRO A 34 5.329 -5.133 5.083 1.00 12.04 H new ATOM 0 HD3 PRO A 34 5.993 -6.627 5.714 1.00 12.04 H new ATOM 535 N PHE A 35 3.132 -3.519 7.434 1.00 74.20 N ATOM 536 CA PHE A 35 2.375 -2.277 7.648 1.00 1.04 C ATOM 537 C PHE A 35 0.937 -2.379 7.103 1.00 52.24 C ATOM 538 O PHE A 35 0.703 -2.961 6.044 1.00 32.51 O ATOM 539 CB PHE A 35 3.118 -1.079 7.027 1.00 73.15 C ATOM 540 CG PHE A 35 3.668 -1.333 5.644 1.00 64.35 C ATOM 541 CD1 PHE A 35 2.870 -1.178 4.517 1.00 3.04 C ATOM 542 CD2 PHE A 35 4.990 -1.718 5.471 1.00 4.53 C ATOM 543 CE1 PHE A 35 3.381 -1.406 3.253 1.00 72.30 C ATOM 544 CE2 PHE A 35 5.502 -1.947 4.209 1.00 13.25 C ATOM 545 CZ PHE A 35 4.696 -1.788 3.098 1.00 45.15 C ATOM 0 H PHE A 35 3.465 -3.648 6.479 1.00 74.20 H new ATOM 0 HA PHE A 35 2.298 -2.118 8.724 1.00 1.04 H new ATOM 0 HB2 PHE A 35 2.438 -0.229 6.983 1.00 73.15 H new ATOM 0 HB3 PHE A 35 3.940 -0.796 7.685 1.00 73.15 H new ATOM 0 HD1 PHE A 35 1.839 -0.876 4.630 1.00 3.04 H new ATOM 0 HD2 PHE A 35 5.627 -1.840 6.335 1.00 4.53 H new ATOM 0 HE1 PHE A 35 2.749 -1.285 2.386 1.00 72.30 H new ATOM 0 HE2 PHE A 35 6.532 -2.250 4.091 1.00 13.25 H new ATOM 0 HZ PHE A 35 5.096 -1.963 2.110 1.00 45.15 H new ATOM 555 N PRO A 36 -0.047 -1.805 7.830 1.00 31.03 N ATOM 556 CA PRO A 36 -1.478 -1.914 7.472 1.00 10.32 C ATOM 557 C PRO A 36 -1.844 -1.238 6.137 1.00 63.31 C ATOM 558 O PRO A 36 -1.320 -0.173 5.795 1.00 30.11 O ATOM 559 CB PRO A 36 -2.189 -1.216 8.643 1.00 11.42 C ATOM 560 CG PRO A 36 -1.164 -0.299 9.220 1.00 11.24 C ATOM 561 CD PRO A 36 0.151 -1.011 9.059 1.00 23.30 C ATOM 0 HA PRO A 36 -1.766 -2.955 7.324 1.00 10.32 H new ATOM 0 HB2 PRO A 36 -3.065 -0.665 8.302 1.00 11.42 H new ATOM 0 HB3 PRO A 36 -2.535 -1.938 9.383 1.00 11.42 H new ATOM 0 HG2 PRO A 36 -1.158 0.659 8.700 1.00 11.24 H new ATOM 0 HG3 PRO A 36 -1.371 -0.090 10.270 1.00 11.24 H new ATOM 0 HD2 PRO A 36 0.979 -0.310 8.957 1.00 23.30 H new ATOM 0 HD3 PRO A 36 0.374 -1.645 9.917 1.00 23.30 H new ATOM 569 N THR A 37 -2.777 -1.854 5.404 1.00 61.22 N ATOM 570 CA THR A 37 -3.229 -1.328 4.105 1.00 22.41 C ATOM 571 C THR A 37 -3.792 0.093 4.232 1.00 44.53 C ATOM 572 O THR A 37 -3.546 0.950 3.382 1.00 40.22 O ATOM 573 CB THR A 37 -4.306 -2.235 3.462 1.00 64.51 C ATOM 574 OG1 THR A 37 -5.484 -2.266 4.283 1.00 2.23 O ATOM 575 CG2 THR A 37 -3.781 -3.655 3.269 1.00 32.13 C ATOM 0 H THR A 37 -3.237 -2.720 5.686 1.00 61.22 H new ATOM 0 HA THR A 37 -2.348 -1.309 3.464 1.00 22.41 H new ATOM 0 HB THR A 37 -4.555 -1.820 2.486 1.00 64.51 H new ATOM 0 HG1 THR A 37 -5.273 -2.689 5.142 1.00 2.23 H new ATOM 0 HG21 THR A 37 -4.557 -4.271 2.816 1.00 32.13 H new ATOM 0 HG22 THR A 37 -2.907 -3.635 2.618 1.00 32.13 H new ATOM 0 HG23 THR A 37 -3.503 -4.075 4.236 1.00 32.13 H new ATOM 583 N ASP A 38 -4.541 0.339 5.304 1.00 21.33 N ATOM 584 CA ASP A 38 -5.069 1.675 5.598 1.00 23.03 C ATOM 585 C ASP A 38 -3.953 2.733 5.592 1.00 60.05 C ATOM 586 O ASP A 38 -4.089 3.789 4.975 1.00 33.21 O ATOM 587 CB ASP A 38 -5.776 1.665 6.953 1.00 72.04 C ATOM 588 CG ASP A 38 -7.003 0.774 6.945 1.00 72.23 C ATOM 589 OD1 ASP A 38 -6.850 -0.463 6.930 1.00 35.12 O ATOM 590 OD2 ASP A 38 -8.130 1.310 6.958 1.00 51.42 O ATOM 0 H ASP A 38 -4.799 -0.372 5.989 1.00 21.33 H new ATOM 0 HA ASP A 38 -5.782 1.938 4.817 1.00 23.03 H new ATOM 0 HB2 ASP A 38 -5.083 1.322 7.721 1.00 72.04 H new ATOM 0 HB3 ASP A 38 -6.067 2.681 7.218 1.00 72.04 H new ATOM 595 N LYS A 39 -2.846 2.440 6.274 1.00 11.50 N ATOM 596 CA LYS A 39 -1.699 3.353 6.301 1.00 21.02 C ATOM 597 C LYS A 39 -1.149 3.586 4.883 1.00 42.41 C ATOM 598 O LYS A 39 -0.859 4.717 4.501 1.00 30.23 O ATOM 599 CB LYS A 39 -0.596 2.806 7.219 1.00 40.12 C ATOM 600 CG LYS A 39 0.645 3.696 7.294 1.00 71.25 C ATOM 601 CD LYS A 39 1.680 3.171 8.291 1.00 73.53 C ATOM 602 CE LYS A 39 1.136 3.137 9.717 1.00 45.44 C ATOM 603 NZ LYS A 39 2.189 2.782 10.707 1.00 63.23 N ATOM 0 H LYS A 39 -2.717 1.583 6.813 1.00 11.50 H new ATOM 0 HA LYS A 39 -2.038 4.310 6.697 1.00 21.02 H new ATOM 0 HB2 LYS A 39 -1.002 2.680 8.223 1.00 40.12 H new ATOM 0 HB3 LYS A 39 -0.301 1.817 6.867 1.00 40.12 H new ATOM 0 HG2 LYS A 39 1.099 3.765 6.306 1.00 71.25 H new ATOM 0 HG3 LYS A 39 0.348 4.705 7.580 1.00 71.25 H new ATOM 0 HD2 LYS A 39 1.990 2.168 7.997 1.00 73.53 H new ATOM 0 HD3 LYS A 39 2.568 3.802 8.257 1.00 73.53 H new ATOM 0 HE2 LYS A 39 0.716 4.111 9.968 1.00 45.44 H new ATOM 0 HE3 LYS A 39 0.323 2.414 9.778 1.00 45.44 H new ATOM 0 HZ1 LYS A 39 1.778 2.770 11.662 1.00 63.23 H new ATOM 0 HZ2 LYS A 39 2.573 1.842 10.484 1.00 63.23 H new ATOM 0 HZ3 LYS A 39 2.954 3.486 10.668 1.00 63.23 H new ATOM 617 N ILE A 40 -1.035 2.505 4.108 1.00 12.21 N ATOM 618 CA ILE A 40 -0.577 2.580 2.711 1.00 51.42 C ATOM 619 C ILE A 40 -1.386 3.615 1.908 1.00 73.15 C ATOM 620 O ILE A 40 -0.850 4.321 1.051 1.00 65.11 O ATOM 621 CB ILE A 40 -0.704 1.199 2.012 1.00 54.42 C ATOM 622 CG1 ILE A 40 0.076 0.125 2.786 1.00 24.42 C ATOM 623 CG2 ILE A 40 -0.221 1.271 0.562 1.00 1.54 C ATOM 624 CD1 ILE A 40 -0.049 -1.269 2.199 1.00 10.32 C ATOM 0 H ILE A 40 -1.254 1.560 4.423 1.00 12.21 H new ATOM 0 HA ILE A 40 0.469 2.885 2.737 1.00 51.42 H new ATOM 0 HB ILE A 40 -1.758 0.923 2.005 1.00 54.42 H new ATOM 0 HG12 ILE A 40 1.129 0.404 2.813 1.00 24.42 H new ATOM 0 HG13 ILE A 40 -0.276 0.107 3.818 1.00 24.42 H new ATOM 0 HG21 ILE A 40 -0.321 0.291 0.096 1.00 1.54 H new ATOM 0 HG22 ILE A 40 -0.822 1.996 0.014 1.00 1.54 H new ATOM 0 HG23 ILE A 40 0.825 1.578 0.542 1.00 1.54 H new ATOM 0 HD11 ILE A 40 0.529 -1.970 2.801 1.00 10.32 H new ATOM 0 HD12 ILE A 40 -1.097 -1.570 2.197 1.00 10.32 H new ATOM 0 HD13 ILE A 40 0.330 -1.269 1.177 1.00 10.32 H new ATOM 636 N VAL A 41 -2.684 3.691 2.195 1.00 41.35 N ATOM 637 CA VAL A 41 -3.576 4.633 1.516 1.00 4.42 C ATOM 638 C VAL A 41 -3.482 6.052 2.106 1.00 3.13 C ATOM 639 O VAL A 41 -3.399 7.038 1.372 1.00 21.14 O ATOM 640 CB VAL A 41 -5.046 4.152 1.590 1.00 21.23 C ATOM 641 CG1 VAL A 41 -5.970 5.114 0.848 1.00 54.31 C ATOM 642 CG2 VAL A 41 -5.175 2.733 1.038 1.00 24.44 C ATOM 0 H VAL A 41 -3.144 3.110 2.896 1.00 41.35 H new ATOM 0 HA VAL A 41 -3.252 4.671 0.476 1.00 4.42 H new ATOM 0 HB VAL A 41 -5.350 4.138 2.637 1.00 21.23 H new ATOM 0 HG11 VAL A 41 -6.997 4.755 0.914 1.00 54.31 H new ATOM 0 HG12 VAL A 41 -5.902 6.104 1.298 1.00 54.31 H new ATOM 0 HG13 VAL A 41 -5.672 5.170 -0.199 1.00 54.31 H new ATOM 0 HG21 VAL A 41 -6.215 2.412 1.098 1.00 24.44 H new ATOM 0 HG22 VAL A 41 -4.850 2.716 -0.002 1.00 24.44 H new ATOM 0 HG23 VAL A 41 -4.552 2.057 1.624 1.00 24.44 H new ATOM 652 N ASN A 42 -3.490 6.153 3.437 1.00 22.32 N ATOM 653 CA ASN A 42 -3.481 7.459 4.118 1.00 3.02 C ATOM 654 C ASN A 42 -2.115 8.168 4.020 1.00 20.44 C ATOM 655 O ASN A 42 -1.966 9.317 4.448 1.00 24.21 O ATOM 656 CB ASN A 42 -3.904 7.294 5.585 1.00 60.33 C ATOM 657 CG ASN A 42 -5.407 7.097 5.725 1.00 51.14 C ATOM 658 OD1 ASN A 42 -6.155 8.051 5.918 1.00 34.11 O ATOM 659 ND2 ASN A 42 -5.864 5.867 5.630 1.00 63.15 N ATOM 0 H ASN A 42 -3.503 5.351 4.067 1.00 22.32 H new ATOM 0 HA ASN A 42 -4.202 8.096 3.606 1.00 3.02 H new ATOM 0 HB2 ASN A 42 -3.384 6.440 6.019 1.00 60.33 H new ATOM 0 HB3 ASN A 42 -3.599 8.174 6.152 1.00 60.33 H new ATOM 0 HD21 ASN A 42 -6.864 5.686 5.717 1.00 63.15 H new ATOM 0 HD22 ASN A 42 -5.218 5.094 5.469 1.00 63.15 H new ATOM 666 N LEU A 43 -1.115 7.483 3.470 1.00 70.11 N ATOM 667 CA LEU A 43 0.173 8.115 3.170 1.00 24.35 C ATOM 668 C LEU A 43 0.131 8.837 1.809 1.00 13.51 C ATOM 669 O LEU A 43 -0.522 8.375 0.866 1.00 5.32 O ATOM 670 CB LEU A 43 1.304 7.072 3.168 1.00 32.41 C ATOM 671 CG LEU A 43 1.670 6.477 4.542 1.00 34.50 C ATOM 672 CD1 LEU A 43 2.778 5.430 4.400 1.00 23.53 C ATOM 673 CD2 LEU A 43 2.094 7.579 5.513 1.00 74.32 C ATOM 0 H LEU A 43 -1.168 6.495 3.223 1.00 70.11 H new ATOM 0 HA LEU A 43 0.369 8.850 3.950 1.00 24.35 H new ATOM 0 HB2 LEU A 43 1.019 6.256 2.504 1.00 32.41 H new ATOM 0 HB3 LEU A 43 2.196 7.532 2.743 1.00 32.41 H new ATOM 0 HG LEU A 43 0.785 5.987 4.947 1.00 34.50 H new ATOM 0 HD11 LEU A 43 3.021 5.022 5.381 1.00 23.53 H new ATOM 0 HD12 LEU A 43 2.437 4.626 3.747 1.00 23.53 H new ATOM 0 HD13 LEU A 43 3.665 5.895 3.970 1.00 23.53 H new ATOM 0 HD21 LEU A 43 2.348 7.137 6.476 1.00 74.32 H new ATOM 0 HD22 LEU A 43 2.963 8.102 5.113 1.00 74.32 H new ATOM 0 HD23 LEU A 43 1.274 8.285 5.643 1.00 74.32 H new ATOM 685 N PRO A 44 0.811 9.996 1.694 1.00 31.31 N ATOM 686 CA PRO A 44 0.953 10.699 0.411 1.00 12.25 C ATOM 687 C PRO A 44 1.906 9.966 -0.551 1.00 62.51 C ATOM 688 O PRO A 44 2.638 9.061 -0.145 1.00 41.04 O ATOM 689 CB PRO A 44 1.525 12.064 0.817 1.00 53.01 C ATOM 690 CG PRO A 44 2.239 11.810 2.101 1.00 10.23 C ATOM 691 CD PRO A 44 1.462 10.727 2.802 1.00 40.40 C ATOM 0 HA PRO A 44 0.009 10.767 -0.130 1.00 12.25 H new ATOM 0 HB2 PRO A 44 2.204 12.451 0.057 1.00 53.01 H new ATOM 0 HB3 PRO A 44 0.734 12.803 0.944 1.00 53.01 H new ATOM 0 HG2 PRO A 44 3.267 11.497 1.920 1.00 10.23 H new ATOM 0 HG3 PRO A 44 2.283 12.714 2.708 1.00 10.23 H new ATOM 0 HD2 PRO A 44 2.116 10.076 3.383 1.00 40.40 H new ATOM 0 HD3 PRO A 44 0.729 11.142 3.494 1.00 40.40 H new ATOM 699 N VAL A 45 1.910 10.375 -1.820 1.00 71.10 N ATOM 700 CA VAL A 45 2.717 9.708 -2.849 1.00 45.51 C ATOM 701 C VAL A 45 4.211 9.627 -2.473 1.00 53.20 C ATOM 702 O VAL A 45 4.855 8.597 -2.682 1.00 41.35 O ATOM 703 CB VAL A 45 2.558 10.412 -4.224 1.00 74.22 C ATOM 704 CG1 VAL A 45 2.957 11.883 -4.140 1.00 30.15 C ATOM 705 CG2 VAL A 45 3.363 9.690 -5.304 1.00 44.11 C ATOM 0 H VAL A 45 1.364 11.165 -2.163 1.00 71.10 H new ATOM 0 HA VAL A 45 2.340 8.688 -2.920 1.00 45.51 H new ATOM 0 HB VAL A 45 1.505 10.367 -4.501 1.00 74.22 H new ATOM 0 HG11 VAL A 45 2.835 12.349 -5.118 1.00 30.15 H new ATOM 0 HG12 VAL A 45 2.323 12.391 -3.414 1.00 30.15 H new ATOM 0 HG13 VAL A 45 3.999 11.960 -3.828 1.00 30.15 H new ATOM 0 HG21 VAL A 45 3.235 10.203 -6.257 1.00 44.11 H new ATOM 0 HG22 VAL A 45 4.418 9.689 -5.032 1.00 44.11 H new ATOM 0 HG23 VAL A 45 3.011 8.662 -5.394 1.00 44.11 H new ATOM 715 N ASP A 46 4.759 10.704 -1.911 1.00 1.40 N ATOM 716 CA ASP A 46 6.176 10.731 -1.527 1.00 34.42 C ATOM 717 C ASP A 46 6.465 9.731 -0.392 1.00 2.33 C ATOM 718 O ASP A 46 7.254 8.795 -0.558 1.00 1.11 O ATOM 719 CB ASP A 46 6.579 12.149 -1.105 1.00 64.42 C ATOM 720 CG ASP A 46 8.086 12.317 -1.014 1.00 11.12 C ATOM 721 OD1 ASP A 46 8.677 11.938 0.019 1.00 63.24 O ATOM 722 OD2 ASP A 46 8.689 12.807 -1.989 1.00 33.45 O ATOM 0 H ASP A 46 4.250 11.565 -1.711 1.00 1.40 H new ATOM 0 HA ASP A 46 6.769 10.435 -2.392 1.00 34.42 H new ATOM 0 HB2 ASP A 46 6.178 12.866 -1.821 1.00 64.42 H new ATOM 0 HB3 ASP A 46 6.131 12.379 -0.138 1.00 64.42 H new ATOM 727 N ASP A 47 5.811 9.933 0.751 1.00 22.21 N ATOM 728 CA ASP A 47 5.959 9.038 1.907 1.00 74.21 C ATOM 729 C ASP A 47 5.668 7.572 1.550 1.00 44.42 C ATOM 730 O ASP A 47 6.193 6.657 2.187 1.00 52.03 O ATOM 731 CB ASP A 47 5.048 9.493 3.050 1.00 1.23 C ATOM 732 CG ASP A 47 5.523 10.792 3.674 1.00 72.43 C ATOM 733 OD1 ASP A 47 5.450 11.841 3.003 1.00 33.45 O ATOM 734 OD2 ASP A 47 5.992 10.764 4.833 1.00 62.22 O ATOM 0 H ASP A 47 5.170 10.711 0.905 1.00 22.21 H new ATOM 0 HA ASP A 47 6.999 9.094 2.227 1.00 74.21 H new ATOM 0 HB2 ASP A 47 4.033 9.621 2.675 1.00 1.23 H new ATOM 0 HB3 ASP A 47 5.010 8.717 3.814 1.00 1.23 H new ATOM 739 N PHE A 48 4.826 7.356 0.543 1.00 42.20 N ATOM 740 CA PHE A 48 4.571 6.011 0.024 1.00 11.33 C ATOM 741 C PHE A 48 5.866 5.366 -0.508 1.00 55.31 C ATOM 742 O PHE A 48 6.239 4.261 -0.103 1.00 22.23 O ATOM 743 CB PHE A 48 3.510 6.064 -1.084 1.00 40.34 C ATOM 744 CG PHE A 48 3.241 4.725 -1.719 1.00 33.54 C ATOM 745 CD1 PHE A 48 2.643 3.705 -0.991 1.00 45.31 C ATOM 746 CD2 PHE A 48 3.605 4.479 -3.037 1.00 30.32 C ATOM 747 CE1 PHE A 48 2.414 2.472 -1.564 1.00 31.23 C ATOM 748 CE2 PHE A 48 3.379 3.245 -3.610 1.00 53.41 C ATOM 749 CZ PHE A 48 2.782 2.241 -2.872 1.00 71.52 C ATOM 0 H PHE A 48 4.307 8.095 0.068 1.00 42.20 H new ATOM 0 HA PHE A 48 4.199 5.396 0.844 1.00 11.33 H new ATOM 0 HB2 PHE A 48 2.581 6.454 -0.669 1.00 40.34 H new ATOM 0 HB3 PHE A 48 3.834 6.764 -1.854 1.00 40.34 H new ATOM 0 HD1 PHE A 48 2.354 3.879 0.035 1.00 45.31 H new ATOM 0 HD2 PHE A 48 4.069 5.262 -3.619 1.00 30.32 H new ATOM 0 HE1 PHE A 48 1.946 1.687 -0.988 1.00 31.23 H new ATOM 0 HE2 PHE A 48 3.668 3.064 -4.635 1.00 53.41 H new ATOM 0 HZ PHE A 48 2.604 1.275 -3.320 1.00 71.52 H new ATOM 759 N ASN A 49 6.558 6.071 -1.406 1.00 53.54 N ATOM 760 CA ASN A 49 7.844 5.595 -1.939 1.00 73.42 C ATOM 761 C ASN A 49 8.901 5.499 -0.826 1.00 34.24 C ATOM 762 O ASN A 49 9.801 4.656 -0.874 1.00 51.20 O ATOM 763 CB ASN A 49 8.343 6.515 -3.061 1.00 64.42 C ATOM 764 CG ASN A 49 7.460 6.461 -4.296 1.00 33.24 C ATOM 765 OD1 ASN A 49 7.659 5.639 -5.187 1.00 40.41 O ATOM 766 ND2 ASN A 49 6.485 7.342 -4.370 1.00 72.20 N ATOM 0 H ASN A 49 6.254 6.970 -1.780 1.00 53.54 H new ATOM 0 HA ASN A 49 7.684 4.598 -2.350 1.00 73.42 H new ATOM 0 HB2 ASN A 49 8.385 7.540 -2.693 1.00 64.42 H new ATOM 0 HB3 ASN A 49 9.360 6.232 -3.333 1.00 64.42 H new ATOM 0 HD21 ASN A 49 5.870 7.355 -5.183 1.00 72.20 H new ATOM 0 HD22 ASN A 49 6.345 8.012 -3.614 1.00 72.20 H new ATOM 773 N GLU A 50 8.793 6.374 0.172 1.00 33.41 N ATOM 774 CA GLU A 50 9.658 6.307 1.355 1.00 13.15 C ATOM 775 C GLU A 50 9.442 4.998 2.125 1.00 70.33 C ATOM 776 O GLU A 50 10.396 4.293 2.451 1.00 1.20 O ATOM 777 CB GLU A 50 9.394 7.502 2.280 1.00 73.42 C ATOM 778 CG GLU A 50 9.915 8.831 1.743 1.00 43.35 C ATOM 779 CD GLU A 50 11.430 8.850 1.610 1.00 62.23 C ATOM 780 OE1 GLU A 50 12.118 9.085 2.631 1.00 53.23 O ATOM 781 OE2 GLU A 50 11.940 8.622 0.493 1.00 30.35 O ATOM 0 H GLU A 50 8.117 7.138 0.188 1.00 33.41 H new ATOM 0 HA GLU A 50 10.692 6.340 1.013 1.00 13.15 H new ATOM 0 HB2 GLU A 50 8.321 7.586 2.450 1.00 73.42 H new ATOM 0 HB3 GLU A 50 9.855 7.307 3.248 1.00 73.42 H new ATOM 0 HG2 GLU A 50 9.465 9.028 0.770 1.00 43.35 H new ATOM 0 HG3 GLU A 50 9.601 9.636 2.408 1.00 43.35 H new ATOM 788 N LEU A 51 8.180 4.681 2.400 1.00 15.43 N ATOM 789 CA LEU A 51 7.815 3.462 3.128 1.00 43.41 C ATOM 790 C LEU A 51 8.410 2.213 2.454 1.00 13.41 C ATOM 791 O LEU A 51 9.022 1.371 3.114 1.00 61.55 O ATOM 792 CB LEU A 51 6.285 3.344 3.206 1.00 62.32 C ATOM 793 CG LEU A 51 5.745 2.183 4.058 1.00 64.43 C ATOM 794 CD1 LEU A 51 6.116 2.365 5.529 1.00 74.14 C ATOM 795 CD2 LEU A 51 4.231 2.057 3.892 1.00 71.32 C ATOM 0 H LEU A 51 7.383 5.256 2.128 1.00 15.43 H new ATOM 0 HA LEU A 51 8.226 3.527 4.136 1.00 43.41 H new ATOM 0 HB2 LEU A 51 5.887 4.277 3.604 1.00 62.32 H new ATOM 0 HB3 LEU A 51 5.896 3.238 2.193 1.00 62.32 H new ATOM 0 HG LEU A 51 6.208 1.260 3.708 1.00 64.43 H new ATOM 0 HD11 LEU A 51 5.722 1.531 6.109 1.00 74.14 H new ATOM 0 HD12 LEU A 51 7.201 2.397 5.629 1.00 74.14 H new ATOM 0 HD13 LEU A 51 5.690 3.298 5.899 1.00 74.14 H new ATOM 0 HD21 LEU A 51 3.866 1.231 4.502 1.00 71.32 H new ATOM 0 HD22 LEU A 51 3.752 2.983 4.211 1.00 71.32 H new ATOM 0 HD23 LEU A 51 3.994 1.868 2.845 1.00 71.32 H new ATOM 807 N LEU A 52 8.243 2.121 1.135 1.00 24.33 N ATOM 808 CA LEU A 52 8.778 0.996 0.352 1.00 72.53 C ATOM 809 C LEU A 52 10.315 0.938 0.395 1.00 12.12 C ATOM 810 O LEU A 52 10.905 -0.141 0.362 1.00 51.51 O ATOM 811 CB LEU A 52 8.306 1.099 -1.105 1.00 44.12 C ATOM 812 CG LEU A 52 6.782 1.039 -1.308 1.00 22.44 C ATOM 813 CD1 LEU A 52 6.426 1.175 -2.787 1.00 42.33 C ATOM 814 CD2 LEU A 52 6.212 -0.257 -0.735 1.00 21.40 C ATOM 0 H LEU A 52 7.740 2.813 0.580 1.00 24.33 H new ATOM 0 HA LEU A 52 8.399 0.078 0.802 1.00 72.53 H new ATOM 0 HB2 LEU A 52 8.675 2.035 -1.524 1.00 44.12 H new ATOM 0 HB3 LEU A 52 8.764 0.291 -1.676 1.00 44.12 H new ATOM 0 HG LEU A 52 6.335 1.876 -0.772 1.00 22.44 H new ATOM 0 HD11 LEU A 52 5.343 1.130 -2.906 1.00 42.33 H new ATOM 0 HD12 LEU A 52 6.793 2.130 -3.163 1.00 42.33 H new ATOM 0 HD13 LEU A 52 6.887 0.362 -3.348 1.00 42.33 H new ATOM 0 HD21 LEU A 52 5.133 -0.279 -0.889 1.00 21.40 H new ATOM 0 HD22 LEU A 52 6.668 -1.109 -1.239 1.00 21.40 H new ATOM 0 HD23 LEU A 52 6.427 -0.309 0.332 1.00 21.40 H new ATOM 826 N ALA A 53 10.957 2.103 0.453 1.00 43.54 N ATOM 827 CA ALA A 53 12.422 2.172 0.510 1.00 1.21 C ATOM 828 C ALA A 53 12.953 1.840 1.915 1.00 13.33 C ATOM 829 O ALA A 53 14.027 1.257 2.065 1.00 3.11 O ATOM 830 CB ALA A 53 12.900 3.552 0.079 1.00 13.33 C ATOM 0 H ALA A 53 10.491 3.010 0.462 1.00 43.54 H new ATOM 0 HA ALA A 53 12.816 1.424 -0.178 1.00 1.21 H new ATOM 0 HB1 ALA A 53 13.988 3.591 0.125 1.00 13.33 H new ATOM 0 HB2 ALA A 53 12.573 3.748 -0.942 1.00 13.33 H new ATOM 0 HB3 ALA A 53 12.481 4.307 0.745 1.00 13.33 H new ATOM 836 N ARG A 54 12.193 2.222 2.941 1.00 14.02 N ATOM 837 CA ARG A 54 12.582 1.986 4.336 1.00 34.02 C ATOM 838 C ARG A 54 12.301 0.530 4.754 1.00 33.32 C ATOM 839 O ARG A 54 13.013 -0.038 5.580 1.00 44.52 O ATOM 840 CB ARG A 54 11.840 2.974 5.255 1.00 35.44 C ATOM 841 CG ARG A 54 12.128 4.440 4.920 1.00 20.54 C ATOM 842 CD ARG A 54 11.269 5.406 5.733 1.00 53.24 C ATOM 843 NE ARG A 54 11.338 6.772 5.204 1.00 33.43 N ATOM 844 CZ ARG A 54 10.634 7.775 5.650 1.00 75.22 C ATOM 845 NH1 ARG A 54 9.883 7.639 6.692 1.00 74.51 N ATOM 846 NH2 ARG A 54 10.706 8.928 5.064 1.00 74.13 N ATOM 0 H ARG A 54 11.298 2.700 2.833 1.00 14.02 H new ATOM 0 HA ARG A 54 13.655 2.151 4.431 1.00 34.02 H new ATOM 0 HB2 ARG A 54 10.767 2.795 5.180 1.00 35.44 H new ATOM 0 HB3 ARG A 54 12.124 2.782 6.290 1.00 35.44 H new ATOM 0 HG2 ARG A 54 13.181 4.651 5.105 1.00 20.54 H new ATOM 0 HG3 ARG A 54 11.951 4.608 3.858 1.00 20.54 H new ATOM 0 HD2 ARG A 54 10.234 5.065 5.727 1.00 53.24 H new ATOM 0 HD3 ARG A 54 11.600 5.401 6.772 1.00 53.24 H new ATOM 0 HE ARG A 54 11.982 6.950 4.433 1.00 33.43 H new ATOM 0 HH11 ARG A 54 9.837 6.741 7.174 1.00 74.51 H new ATOM 0 HH12 ARG A 54 9.336 8.430 7.033 1.00 74.51 H new ATOM 0 HH21 ARG A 54 11.313 9.051 4.254 1.00 74.13 H new ATOM 0 HH22 ARG A 54 10.155 9.713 5.413 1.00 74.13 H new ATOM 860 N TYR A 55 11.261 -0.067 4.173 1.00 44.24 N ATOM 861 CA TYR A 55 10.934 -1.480 4.412 1.00 55.33 C ATOM 862 C TYR A 55 11.305 -2.340 3.190 1.00 61.15 C ATOM 863 O TYR A 55 10.570 -2.378 2.204 1.00 25.10 O ATOM 864 CB TYR A 55 9.444 -1.633 4.740 1.00 44.41 C ATOM 865 CG TYR A 55 9.063 -1.061 6.095 1.00 1.42 C ATOM 866 CD1 TYR A 55 8.989 0.313 6.298 1.00 33.31 C ATOM 867 CD2 TYR A 55 8.795 -1.898 7.173 1.00 22.24 C ATOM 868 CE1 TYR A 55 8.653 0.837 7.532 1.00 43.42 C ATOM 869 CE2 TYR A 55 8.458 -1.382 8.410 1.00 44.01 C ATOM 870 CZ TYR A 55 8.391 -0.015 8.585 1.00 4.53 C ATOM 871 OH TYR A 55 8.059 0.504 9.819 1.00 2.12 O ATOM 0 H TYR A 55 10.625 0.405 3.530 1.00 44.24 H new ATOM 0 HA TYR A 55 11.518 -1.828 5.264 1.00 55.33 H new ATOM 0 HB2 TYR A 55 8.857 -1.138 3.967 1.00 44.41 H new ATOM 0 HB3 TYR A 55 9.180 -2.690 4.713 1.00 44.41 H new ATOM 0 HD1 TYR A 55 9.198 0.982 5.477 1.00 33.31 H new ATOM 0 HD2 TYR A 55 8.851 -2.968 7.041 1.00 22.24 H new ATOM 0 HE1 TYR A 55 8.596 1.906 7.671 1.00 43.42 H new ATOM 0 HE2 TYR A 55 8.248 -2.046 9.236 1.00 44.01 H new ATOM 0 HH TYR A 55 7.904 -0.229 10.451 1.00 2.12 H new ATOM 881 N PRO A 56 12.451 -3.050 3.247 1.00 25.01 N ATOM 882 CA PRO A 56 12.974 -3.815 2.099 1.00 50.44 C ATOM 883 C PRO A 56 12.085 -5.007 1.702 1.00 1.41 C ATOM 884 O PRO A 56 12.331 -6.149 2.096 1.00 74.11 O ATOM 885 CB PRO A 56 14.354 -4.291 2.587 1.00 1.24 C ATOM 886 CG PRO A 56 14.243 -4.308 4.075 1.00 42.11 C ATOM 887 CD PRO A 56 13.325 -3.167 4.431 1.00 4.32 C ATOM 0 HA PRO A 56 13.012 -3.205 1.196 1.00 50.44 H new ATOM 0 HB2 PRO A 56 14.593 -5.280 2.196 1.00 1.24 H new ATOM 0 HB3 PRO A 56 15.145 -3.618 2.256 1.00 1.24 H new ATOM 0 HG2 PRO A 56 13.840 -5.258 4.426 1.00 42.11 H new ATOM 0 HG3 PRO A 56 15.220 -4.184 4.542 1.00 42.11 H new ATOM 0 HD2 PRO A 56 12.752 -3.379 5.334 1.00 4.32 H new ATOM 0 HD3 PRO A 56 13.880 -2.247 4.614 1.00 4.32 H new ATOM 895 N LEU A 57 11.033 -4.725 0.942 1.00 41.41 N ATOM 896 CA LEU A 57 10.153 -5.768 0.408 1.00 34.01 C ATOM 897 C LEU A 57 10.622 -6.227 -0.983 1.00 63.43 C ATOM 898 O LEU A 57 11.398 -5.537 -1.646 1.00 45.40 O ATOM 899 CB LEU A 57 8.712 -5.240 0.323 1.00 23.41 C ATOM 900 CG LEU A 57 8.098 -4.751 1.647 1.00 1.03 C ATOM 901 CD1 LEU A 57 6.691 -4.203 1.415 1.00 5.51 C ATOM 902 CD2 LEU A 57 8.076 -5.873 2.686 1.00 54.33 C ATOM 0 H LEU A 57 10.764 -3.777 0.678 1.00 41.41 H new ATOM 0 HA LEU A 57 10.189 -6.624 1.082 1.00 34.01 H new ATOM 0 HB2 LEU A 57 8.688 -4.418 -0.392 1.00 23.41 H new ATOM 0 HB3 LEU A 57 8.079 -6.031 -0.079 1.00 23.41 H new ATOM 0 HG LEU A 57 8.722 -3.945 2.034 1.00 1.03 H new ATOM 0 HD11 LEU A 57 6.273 -3.862 2.362 1.00 5.51 H new ATOM 0 HD12 LEU A 57 6.737 -3.367 0.717 1.00 5.51 H new ATOM 0 HD13 LEU A 57 6.058 -4.988 1.001 1.00 5.51 H new ATOM 0 HD21 LEU A 57 7.638 -5.502 3.613 1.00 54.33 H new ATOM 0 HD22 LEU A 57 7.481 -6.705 2.310 1.00 54.33 H new ATOM 0 HD23 LEU A 57 9.094 -6.212 2.877 1.00 54.33 H new ATOM 914 N THR A 58 10.150 -7.389 -1.427 1.00 72.31 N ATOM 915 CA THR A 58 10.479 -7.889 -2.770 1.00 52.03 C ATOM 916 C THR A 58 9.753 -7.070 -3.841 1.00 33.54 C ATOM 917 O THR A 58 8.638 -6.597 -3.614 1.00 41.25 O ATOM 918 CB THR A 58 10.093 -9.379 -2.955 1.00 71.12 C ATOM 919 OG1 THR A 58 8.663 -9.522 -2.992 1.00 41.23 O ATOM 920 CG2 THR A 58 10.662 -10.242 -1.832 1.00 22.25 C ATOM 0 H THR A 58 9.542 -8.003 -0.885 1.00 72.31 H new ATOM 0 HA THR A 58 11.559 -7.791 -2.878 1.00 52.03 H new ATOM 0 HB THR A 58 10.518 -9.717 -3.900 1.00 71.12 H new ATOM 0 HG1 THR A 58 8.432 -10.467 -3.111 1.00 41.23 H new ATOM 0 HG21 THR A 58 10.374 -11.281 -1.990 1.00 22.25 H new ATOM 0 HG22 THR A 58 11.749 -10.163 -1.828 1.00 22.25 H new ATOM 0 HG23 THR A 58 10.270 -9.898 -0.875 1.00 22.25 H new ATOM 928 N GLU A 59 10.372 -6.909 -5.010 1.00 1.32 N ATOM 929 CA GLU A 59 9.756 -6.168 -6.124 1.00 31.13 C ATOM 930 C GLU A 59 8.336 -6.682 -6.434 1.00 23.53 C ATOM 931 O GLU A 59 7.517 -5.966 -7.015 1.00 20.35 O ATOM 932 CB GLU A 59 10.644 -6.261 -7.376 1.00 35.31 C ATOM 933 CG GLU A 59 12.018 -5.622 -7.198 1.00 22.22 C ATOM 934 CD GLU A 59 12.926 -5.819 -8.404 1.00 15.24 C ATOM 935 OE1 GLU A 59 13.459 -6.937 -8.576 1.00 54.42 O ATOM 936 OE2 GLU A 59 13.128 -4.858 -9.178 1.00 3.00 O ATOM 0 H GLU A 59 11.300 -7.280 -5.216 1.00 1.32 H new ATOM 0 HA GLU A 59 9.669 -5.124 -5.823 1.00 31.13 H new ATOM 0 HB2 GLU A 59 10.772 -7.310 -7.643 1.00 35.31 H new ATOM 0 HB3 GLU A 59 10.134 -5.779 -8.210 1.00 35.31 H new ATOM 0 HG2 GLU A 59 11.895 -4.555 -7.013 1.00 22.22 H new ATOM 0 HG3 GLU A 59 12.498 -6.045 -6.316 1.00 22.22 H new ATOM 943 N SER A 60 8.060 -7.928 -6.044 1.00 65.44 N ATOM 944 CA SER A 60 6.715 -8.509 -6.155 1.00 30.20 C ATOM 945 C SER A 60 5.779 -7.956 -5.069 1.00 14.22 C ATOM 946 O SER A 60 4.620 -7.635 -5.340 1.00 74.13 O ATOM 947 CB SER A 60 6.786 -10.039 -6.055 1.00 73.34 C ATOM 948 OG SER A 60 7.603 -10.582 -7.085 1.00 5.25 O ATOM 0 H SER A 60 8.754 -8.560 -5.645 1.00 65.44 H new ATOM 0 HA SER A 60 6.310 -8.232 -7.128 1.00 30.20 H new ATOM 0 HB2 SER A 60 7.185 -10.325 -5.082 1.00 73.34 H new ATOM 0 HB3 SER A 60 5.782 -10.458 -6.124 1.00 73.34 H new ATOM 0 HG SER A 60 7.633 -11.558 -6.998 1.00 5.25 H new ATOM 954 N GLN A 61 6.282 -7.843 -3.834 1.00 62.34 N ATOM 955 CA GLN A 61 5.501 -7.265 -2.731 1.00 21.41 C ATOM 956 C GLN A 61 5.128 -5.800 -3.020 1.00 31.11 C ATOM 957 O GLN A 61 3.976 -5.399 -2.840 1.00 4.44 O ATOM 958 CB GLN A 61 6.273 -7.355 -1.404 1.00 60.01 C ATOM 959 CG GLN A 61 6.517 -8.781 -0.914 1.00 34.10 C ATOM 960 CD GLN A 61 7.313 -8.826 0.381 1.00 64.41 C ATOM 961 OE1 GLN A 61 8.538 -8.861 0.372 1.00 64.45 O ATOM 962 NE2 GLN A 61 6.628 -8.838 1.506 1.00 72.11 N ATOM 0 H GLN A 61 7.222 -8.142 -3.573 1.00 62.34 H new ATOM 0 HA GLN A 61 4.583 -7.846 -2.644 1.00 21.41 H new ATOM 0 HB2 GLN A 61 7.234 -6.854 -1.522 1.00 60.01 H new ATOM 0 HB3 GLN A 61 5.721 -6.810 -0.638 1.00 60.01 H new ATOM 0 HG2 GLN A 61 5.559 -9.279 -0.765 1.00 34.10 H new ATOM 0 HG3 GLN A 61 7.050 -9.339 -1.683 1.00 34.10 H new ATOM 0 HE21 GLN A 61 5.609 -8.808 1.483 1.00 72.11 H new ATOM 0 HE22 GLN A 61 7.117 -8.877 2.400 1.00 72.11 H new ATOM 971 N LEU A 62 6.105 -5.003 -3.477 1.00 50.33 N ATOM 972 CA LEU A 62 5.851 -3.593 -3.829 1.00 13.03 C ATOM 973 C LEU A 62 4.764 -3.472 -4.908 1.00 61.33 C ATOM 974 O LEU A 62 4.008 -2.502 -4.931 1.00 11.31 O ATOM 975 CB LEU A 62 7.126 -2.882 -4.317 1.00 45.40 C ATOM 976 CG LEU A 62 8.189 -2.565 -3.246 1.00 64.23 C ATOM 977 CD1 LEU A 62 8.940 -3.815 -2.829 1.00 71.24 C ATOM 978 CD2 LEU A 62 9.161 -1.502 -3.752 1.00 73.24 C ATOM 0 H LEU A 62 7.070 -5.304 -3.612 1.00 50.33 H new ATOM 0 HA LEU A 62 5.508 -3.107 -2.915 1.00 13.03 H new ATOM 0 HB2 LEU A 62 7.589 -3.501 -5.085 1.00 45.40 H new ATOM 0 HB3 LEU A 62 6.834 -1.947 -4.795 1.00 45.40 H new ATOM 0 HG LEU A 62 7.672 -2.176 -2.369 1.00 64.23 H new ATOM 0 HD11 LEU A 62 9.682 -3.558 -2.073 1.00 71.24 H new ATOM 0 HD12 LEU A 62 8.239 -4.541 -2.417 1.00 71.24 H new ATOM 0 HD13 LEU A 62 9.440 -4.246 -3.697 1.00 71.24 H new ATOM 0 HD21 LEU A 62 9.903 -1.292 -2.982 1.00 73.24 H new ATOM 0 HD22 LEU A 62 9.662 -1.865 -4.650 1.00 73.24 H new ATOM 0 HD23 LEU A 62 8.613 -0.589 -3.986 1.00 73.24 H new ATOM 990 N ALA A 63 4.697 -4.456 -5.806 1.00 55.12 N ATOM 991 CA ALA A 63 3.660 -4.491 -6.842 1.00 22.31 C ATOM 992 C ALA A 63 2.255 -4.506 -6.224 1.00 51.12 C ATOM 993 O ALA A 63 1.360 -3.774 -6.656 1.00 5.31 O ATOM 994 CB ALA A 63 3.858 -5.706 -7.741 1.00 35.12 C ATOM 0 H ALA A 63 5.348 -5.240 -5.838 1.00 55.12 H new ATOM 0 HA ALA A 63 3.750 -3.586 -7.442 1.00 22.31 H new ATOM 0 HB1 ALA A 63 3.082 -5.722 -8.507 1.00 35.12 H new ATOM 0 HB2 ALA A 63 4.837 -5.651 -8.217 1.00 35.12 H new ATOM 0 HB3 ALA A 63 3.796 -6.615 -7.143 1.00 35.12 H new ATOM 1000 N LEU A 64 2.075 -5.341 -5.198 1.00 72.03 N ATOM 1001 CA LEU A 64 0.807 -5.414 -4.466 1.00 52.34 C ATOM 1002 C LEU A 64 0.557 -4.130 -3.663 1.00 35.12 C ATOM 1003 O LEU A 64 -0.522 -3.547 -3.733 1.00 13.12 O ATOM 1004 CB LEU A 64 0.794 -6.622 -3.519 1.00 40.33 C ATOM 1005 CG LEU A 64 -0.495 -6.787 -2.687 1.00 63.01 C ATOM 1006 CD1 LEU A 64 -1.689 -7.093 -3.590 1.00 42.33 C ATOM 1007 CD2 LEU A 64 -0.324 -7.870 -1.625 1.00 14.40 C ATOM 0 H LEU A 64 2.793 -5.978 -4.854 1.00 72.03 H new ATOM 0 HA LEU A 64 0.011 -5.528 -5.202 1.00 52.34 H new ATOM 0 HB2 LEU A 64 0.947 -7.527 -4.107 1.00 40.33 H new ATOM 0 HB3 LEU A 64 1.640 -6.539 -2.837 1.00 40.33 H new ATOM 0 HG LEU A 64 -0.690 -5.844 -2.177 1.00 63.01 H new ATOM 0 HD11 LEU A 64 -2.586 -7.205 -2.981 1.00 42.33 H new ATOM 0 HD12 LEU A 64 -1.830 -6.275 -4.297 1.00 42.33 H new ATOM 0 HD13 LEU A 64 -1.504 -8.017 -4.137 1.00 42.33 H new ATOM 0 HD21 LEU A 64 -1.246 -7.967 -1.052 1.00 14.40 H new ATOM 0 HD22 LEU A 64 -0.095 -8.820 -2.108 1.00 14.40 H new ATOM 0 HD23 LEU A 64 0.492 -7.598 -0.956 1.00 14.40 H new ATOM 1019 N VAL A 65 1.562 -3.695 -2.902 1.00 40.01 N ATOM 1020 CA VAL A 65 1.452 -2.474 -2.093 1.00 41.32 C ATOM 1021 C VAL A 65 1.047 -1.264 -2.958 1.00 51.21 C ATOM 1022 O VAL A 65 0.181 -0.473 -2.578 1.00 71.54 O ATOM 1023 CB VAL A 65 2.781 -2.166 -1.359 1.00 61.14 C ATOM 1024 CG1 VAL A 65 2.655 -0.910 -0.499 1.00 55.25 C ATOM 1025 CG2 VAL A 65 3.223 -3.361 -0.510 1.00 33.41 C ATOM 0 H VAL A 65 2.463 -4.168 -2.827 1.00 40.01 H new ATOM 0 HA VAL A 65 0.673 -2.651 -1.351 1.00 41.32 H new ATOM 0 HB VAL A 65 3.545 -1.982 -2.114 1.00 61.14 H new ATOM 0 HG11 VAL A 65 3.602 -0.717 0.005 1.00 55.25 H new ATOM 0 HG12 VAL A 65 2.401 -0.060 -1.132 1.00 55.25 H new ATOM 0 HG13 VAL A 65 1.872 -1.055 0.245 1.00 55.25 H new ATOM 0 HG21 VAL A 65 4.158 -3.122 -0.004 1.00 33.41 H new ATOM 0 HG22 VAL A 65 2.456 -3.584 0.232 1.00 33.41 H new ATOM 0 HG23 VAL A 65 3.370 -4.229 -1.152 1.00 33.41 H new ATOM 1035 N ARG A 66 1.663 -1.141 -4.136 1.00 2.22 N ATOM 1036 CA ARG A 66 1.321 -0.068 -5.080 1.00 2.31 C ATOM 1037 C ARG A 66 -0.111 -0.226 -5.616 1.00 23.40 C ATOM 1038 O ARG A 66 -0.779 0.765 -5.935 1.00 74.35 O ATOM 1039 CB ARG A 66 2.324 -0.021 -6.247 1.00 15.15 C ATOM 1040 CG ARG A 66 3.724 0.431 -5.842 1.00 62.33 C ATOM 1041 CD ARG A 66 4.649 0.605 -7.047 1.00 11.22 C ATOM 1042 NE ARG A 66 5.015 -0.670 -7.671 1.00 13.55 N ATOM 1043 CZ ARG A 66 5.111 -0.856 -8.965 1.00 64.02 C ATOM 1044 NH1 ARG A 66 4.822 0.093 -9.796 1.00 63.03 N ATOM 1045 NH2 ARG A 66 5.493 -1.999 -9.426 1.00 73.11 N ATOM 0 H ARG A 66 2.399 -1.768 -4.461 1.00 2.22 H new ATOM 0 HA ARG A 66 1.377 0.874 -4.535 1.00 2.31 H new ATOM 0 HB2 ARG A 66 2.389 -1.011 -6.697 1.00 15.15 H new ATOM 0 HB3 ARG A 66 1.943 0.653 -7.014 1.00 15.15 H new ATOM 0 HG2 ARG A 66 3.656 1.374 -5.300 1.00 62.33 H new ATOM 0 HG3 ARG A 66 4.156 -0.300 -5.158 1.00 62.33 H new ATOM 0 HD2 ARG A 66 4.160 1.239 -7.786 1.00 11.22 H new ATOM 0 HD3 ARG A 66 5.555 1.123 -6.732 1.00 11.22 H new ATOM 0 HE ARG A 66 5.207 -1.463 -7.059 1.00 13.55 H new ATOM 0 HH11 ARG A 66 4.515 1.001 -9.447 1.00 63.03 H new ATOM 0 HH12 ARG A 66 4.902 -0.067 -10.800 1.00 63.03 H new ATOM 0 HH21 ARG A 66 5.720 -2.758 -8.783 1.00 73.11 H new ATOM 0 HH22 ARG A 66 5.568 -2.144 -10.433 1.00 73.11 H new ATOM 1059 N ASP A 67 -0.582 -1.467 -5.705 1.00 22.50 N ATOM 1060 CA ASP A 67 -1.942 -1.752 -6.166 1.00 43.22 C ATOM 1061 C ASP A 67 -2.978 -1.368 -5.098 1.00 30.31 C ATOM 1062 O ASP A 67 -3.933 -0.638 -5.380 1.00 21.53 O ATOM 1063 CB ASP A 67 -2.076 -3.235 -6.529 1.00 24.41 C ATOM 1064 CG ASP A 67 -3.428 -3.562 -7.134 1.00 31.00 C ATOM 1065 OD1 ASP A 67 -3.664 -3.194 -8.307 1.00 73.42 O ATOM 1066 OD2 ASP A 67 -4.257 -4.192 -6.453 1.00 31.51 O ATOM 0 H ASP A 67 -0.040 -2.297 -5.463 1.00 22.50 H new ATOM 0 HA ASP A 67 -2.134 -1.151 -7.055 1.00 43.22 H new ATOM 0 HB2 ASP A 67 -1.290 -3.506 -7.234 1.00 24.41 H new ATOM 0 HB3 ASP A 67 -1.925 -3.840 -5.635 1.00 24.41 H new ATOM 1071 N ILE A 68 -2.780 -1.861 -3.870 1.00 1.03 N ATOM 1072 CA ILE A 68 -3.649 -1.516 -2.736 1.00 42.32 C ATOM 1073 C ILE A 68 -3.718 0.006 -2.537 1.00 10.04 C ATOM 1074 O ILE A 68 -4.795 0.574 -2.354 1.00 11.03 O ATOM 1075 CB ILE A 68 -3.158 -2.184 -1.424 1.00 33.31 C ATOM 1076 CG1 ILE A 68 -3.152 -3.714 -1.575 1.00 50.42 C ATOM 1077 CG2 ILE A 68 -4.029 -1.758 -0.239 1.00 42.32 C ATOM 1078 CD1 ILE A 68 -2.630 -4.451 -0.358 1.00 63.54 C ATOM 0 H ILE A 68 -2.023 -2.503 -3.634 1.00 1.03 H new ATOM 0 HA ILE A 68 -4.645 -1.892 -2.971 1.00 42.32 H new ATOM 0 HB ILE A 68 -2.138 -1.853 -1.228 1.00 33.31 H new ATOM 0 HG12 ILE A 68 -4.167 -4.052 -1.784 1.00 50.42 H new ATOM 0 HG13 ILE A 68 -2.542 -3.981 -2.438 1.00 50.42 H new ATOM 0 HG21 ILE A 68 -3.667 -2.238 0.670 1.00 42.32 H new ATOM 0 HG22 ILE A 68 -3.980 -0.675 -0.122 1.00 42.32 H new ATOM 0 HG23 ILE A 68 -5.061 -2.057 -0.420 1.00 42.32 H new ATOM 0 HD11 ILE A 68 -2.658 -5.525 -0.543 1.00 63.54 H new ATOM 0 HD12 ILE A 68 -1.603 -4.143 -0.159 1.00 63.54 H new ATOM 0 HD13 ILE A 68 -3.253 -4.216 0.505 1.00 63.54 H new ATOM 1090 N ARG A 69 -2.553 0.653 -2.587 1.00 45.51 N ATOM 1091 CA ARG A 69 -2.458 2.119 -2.536 1.00 22.23 C ATOM 1092 C ARG A 69 -3.411 2.773 -3.545 1.00 60.12 C ATOM 1093 O ARG A 69 -4.154 3.692 -3.205 1.00 12.41 O ATOM 1094 CB ARG A 69 -0.996 2.540 -2.803 1.00 14.43 C ATOM 1095 CG ARG A 69 -0.749 4.044 -2.994 1.00 10.43 C ATOM 1096 CD ARG A 69 -0.966 4.497 -4.445 1.00 61.23 C ATOM 1097 NE ARG A 69 -0.459 3.516 -5.413 1.00 24.41 N ATOM 1098 CZ ARG A 69 0.467 3.754 -6.305 1.00 60.44 C ATOM 1099 NH1 ARG A 69 1.043 4.909 -6.371 1.00 34.02 N ATOM 1100 NH2 ARG A 69 0.812 2.821 -7.131 1.00 71.43 N ATOM 0 H ARG A 69 -1.651 0.182 -2.664 1.00 45.51 H new ATOM 0 HA ARG A 69 -2.757 2.461 -1.545 1.00 22.23 H new ATOM 0 HB2 ARG A 69 -0.382 2.195 -1.971 1.00 14.43 H new ATOM 0 HB3 ARG A 69 -0.647 2.019 -3.694 1.00 14.43 H new ATOM 0 HG2 ARG A 69 -1.416 4.604 -2.339 1.00 10.43 H new ATOM 0 HG3 ARG A 69 0.271 4.283 -2.691 1.00 10.43 H new ATOM 0 HD2 ARG A 69 -2.030 4.660 -4.618 1.00 61.23 H new ATOM 0 HD3 ARG A 69 -0.467 5.453 -4.604 1.00 61.23 H new ATOM 0 HE ARG A 69 -0.859 2.578 -5.388 1.00 24.41 H new ATOM 0 HH11 ARG A 69 0.777 5.649 -5.722 1.00 34.02 H new ATOM 0 HH12 ARG A 69 1.764 5.080 -7.072 1.00 34.02 H new ATOM 0 HH21 ARG A 69 0.363 1.907 -7.084 1.00 71.43 H new ATOM 0 HH22 ARG A 69 1.534 2.999 -7.829 1.00 71.43 H new ATOM 1114 N ARG A 70 -3.390 2.286 -4.785 1.00 63.14 N ATOM 1115 CA ARG A 70 -4.240 2.834 -5.847 1.00 51.15 C ATOM 1116 C ARG A 70 -5.722 2.527 -5.564 1.00 23.21 C ATOM 1117 O ARG A 70 -6.590 3.376 -5.760 1.00 75.32 O ATOM 1118 CB ARG A 70 -3.815 2.246 -7.202 1.00 54.12 C ATOM 1119 CG ARG A 70 -4.443 2.920 -8.423 1.00 0.43 C ATOM 1120 CD ARG A 70 -4.085 4.408 -8.518 1.00 71.32 C ATOM 1121 NE ARG A 70 -5.074 5.265 -7.860 1.00 32.21 N ATOM 1122 CZ ARG A 70 -4.840 6.487 -7.448 1.00 74.24 C ATOM 1123 NH1 ARG A 70 -3.642 6.978 -7.454 1.00 31.12 N ATOM 1124 NH2 ARG A 70 -5.817 7.205 -6.996 1.00 61.14 N ATOM 0 H ARG A 70 -2.794 1.513 -5.081 1.00 63.14 H new ATOM 0 HA ARG A 70 -4.119 3.917 -5.877 1.00 51.15 H new ATOM 0 HB2 ARG A 70 -2.730 2.313 -7.286 1.00 54.12 H new ATOM 0 HB3 ARG A 70 -4.071 1.187 -7.218 1.00 54.12 H new ATOM 0 HG2 ARG A 70 -4.110 2.411 -9.327 1.00 0.43 H new ATOM 0 HG3 ARG A 70 -5.527 2.812 -8.377 1.00 0.43 H new ATOM 0 HD2 ARG A 70 -3.107 4.573 -8.065 1.00 71.32 H new ATOM 0 HD3 ARG A 70 -4.003 4.693 -9.567 1.00 71.32 H new ATOM 0 HE ARG A 70 -6.009 4.885 -7.712 1.00 32.21 H new ATOM 0 HH11 ARG A 70 -2.860 6.412 -7.783 1.00 31.12 H new ATOM 0 HH12 ARG A 70 -3.480 7.931 -7.129 1.00 31.12 H new ATOM 0 HH21 ARG A 70 -6.761 6.819 -6.962 1.00 61.14 H new ATOM 0 HH22 ARG A 70 -5.644 8.157 -6.673 1.00 61.14 H new ATOM 1138 N ARG A 71 -5.987 1.313 -5.079 1.00 1.10 N ATOM 1139 CA ARG A 71 -7.349 0.875 -4.730 1.00 3.34 C ATOM 1140 C ARG A 71 -7.993 1.798 -3.682 1.00 4.33 C ATOM 1141 O ARG A 71 -9.062 2.377 -3.907 1.00 1.21 O ATOM 1142 CB ARG A 71 -7.305 -0.564 -4.192 1.00 4.43 C ATOM 1143 CG ARG A 71 -6.974 -1.613 -5.248 1.00 73.40 C ATOM 1144 CD ARG A 71 -6.561 -2.942 -4.620 1.00 74.32 C ATOM 1145 NE ARG A 71 -7.449 -3.335 -3.532 1.00 32.43 N ATOM 1146 CZ ARG A 71 -8.295 -4.322 -3.584 1.00 24.20 C ATOM 1147 NH1 ARG A 71 -8.385 -5.066 -4.641 1.00 60.35 N ATOM 1148 NH2 ARG A 71 -9.037 -4.575 -2.561 1.00 1.13 N ATOM 0 H ARG A 71 -5.271 0.605 -4.916 1.00 1.10 H new ATOM 0 HA ARG A 71 -7.957 0.919 -5.634 1.00 3.34 H new ATOM 0 HB2 ARG A 71 -6.564 -0.620 -3.395 1.00 4.43 H new ATOM 0 HB3 ARG A 71 -8.271 -0.804 -3.747 1.00 4.43 H new ATOM 0 HG2 ARG A 71 -7.841 -1.769 -5.890 1.00 73.40 H new ATOM 0 HG3 ARG A 71 -6.169 -1.246 -5.884 1.00 73.40 H new ATOM 0 HD2 ARG A 71 -6.560 -3.719 -5.385 1.00 74.32 H new ATOM 0 HD3 ARG A 71 -5.541 -2.863 -4.244 1.00 74.32 H new ATOM 0 HE ARG A 71 -7.403 -2.797 -2.667 1.00 32.43 H new ATOM 0 HH11 ARG A 71 -7.788 -4.881 -5.447 1.00 60.35 H new ATOM 0 HH12 ARG A 71 -9.053 -5.836 -4.667 1.00 60.35 H new ATOM 0 HH21 ARG A 71 -8.958 -4.003 -1.720 1.00 1.13 H new ATOM 0 HH22 ARG A 71 -9.703 -5.347 -2.593 1.00 1.13 H new ATOM 1162 N GLY A 72 -7.335 1.922 -2.533 1.00 2.50 N ATOM 1163 CA GLY A 72 -7.838 2.773 -1.464 1.00 12.34 C ATOM 1164 C GLY A 72 -7.831 4.255 -1.826 1.00 75.13 C ATOM 1165 O GLY A 72 -8.733 5.001 -1.444 1.00 61.12 O ATOM 0 H GLY A 72 -6.458 1.447 -2.321 1.00 2.50 H new ATOM 0 HA2 GLY A 72 -8.855 2.471 -1.215 1.00 12.34 H new ATOM 0 HA3 GLY A 72 -7.232 2.620 -0.571 1.00 12.34 H new ATOM 1169 N LYS A 73 -6.812 4.689 -2.567 1.00 23.32 N ATOM 1170 CA LYS A 73 -6.718 6.089 -2.989 1.00 61.53 C ATOM 1171 C LYS A 73 -7.878 6.457 -3.935 1.00 72.40 C ATOM 1172 O LYS A 73 -8.363 7.583 -3.919 1.00 0.15 O ATOM 1173 CB LYS A 73 -5.361 6.362 -3.659 1.00 50.32 C ATOM 1174 CG LYS A 73 -5.026 7.846 -3.816 1.00 5.22 C ATOM 1175 CD LYS A 73 -4.837 8.553 -2.469 1.00 43.40 C ATOM 1176 CE LYS A 73 -3.619 8.030 -1.708 1.00 35.22 C ATOM 1177 NZ LYS A 73 -3.392 8.770 -0.437 1.00 31.41 N ATOM 0 H LYS A 73 -6.045 4.098 -2.886 1.00 23.32 H new ATOM 0 HA LYS A 73 -6.795 6.717 -2.102 1.00 61.53 H new ATOM 0 HB2 LYS A 73 -4.576 5.884 -3.072 1.00 50.32 H new ATOM 0 HB3 LYS A 73 -5.354 5.893 -4.643 1.00 50.32 H new ATOM 0 HG2 LYS A 73 -4.116 7.949 -4.407 1.00 5.22 H new ATOM 0 HG3 LYS A 73 -5.824 8.338 -4.372 1.00 5.22 H new ATOM 0 HD2 LYS A 73 -4.727 9.625 -2.635 1.00 43.40 H new ATOM 0 HD3 LYS A 73 -5.730 8.415 -1.860 1.00 43.40 H new ATOM 0 HE2 LYS A 73 -3.756 6.971 -1.491 1.00 35.22 H new ATOM 0 HE3 LYS A 73 -2.734 8.114 -2.339 1.00 35.22 H new ATOM 0 HZ1 LYS A 73 -2.629 9.464 -0.571 1.00 31.41 H new ATOM 0 HZ2 LYS A 73 -4.265 9.264 -0.162 1.00 31.41 H new ATOM 0 HZ3 LYS A 73 -3.123 8.100 0.312 1.00 31.41 H new ATOM 1191 N ASN A 74 -8.325 5.497 -4.750 1.00 40.22 N ATOM 1192 CA ASN A 74 -9.523 5.692 -5.584 1.00 61.23 C ATOM 1193 C ASN A 74 -10.797 5.677 -4.723 1.00 33.12 C ATOM 1194 O ASN A 74 -11.761 6.398 -4.996 1.00 25.13 O ATOM 1195 CB ASN A 74 -9.622 4.614 -6.672 1.00 42.22 C ATOM 1196 CG ASN A 74 -8.475 4.674 -7.659 1.00 32.52 C ATOM 1197 OD1 ASN A 74 -7.866 5.718 -7.860 1.00 41.30 O ATOM 1198 ND2 ASN A 74 -8.176 3.557 -8.291 1.00 53.21 N ATOM 0 H ASN A 74 -7.883 4.584 -4.853 1.00 40.22 H new ATOM 0 HA ASN A 74 -9.431 6.666 -6.065 1.00 61.23 H new ATOM 0 HB2 ASN A 74 -9.641 3.630 -6.203 1.00 42.22 H new ATOM 0 HB3 ASN A 74 -10.564 4.730 -7.208 1.00 42.22 H new ATOM 0 HD21 ASN A 74 -7.417 3.544 -8.972 1.00 53.21 H new ATOM 0 HD22 ASN A 74 -8.704 2.706 -8.099 1.00 53.21 H new ATOM 1205 N LYS A 75 -10.786 4.843 -3.685 1.00 21.01 N ATOM 1206 CA LYS A 75 -11.887 4.757 -2.715 1.00 1.15 C ATOM 1207 C LYS A 75 -12.179 6.123 -2.063 1.00 52.31 C ATOM 1208 O LYS A 75 -13.336 6.498 -1.866 1.00 1.02 O ATOM 1209 CB LYS A 75 -11.535 3.713 -1.641 1.00 3.10 C ATOM 1210 CG LYS A 75 -12.524 3.626 -0.483 1.00 51.03 C ATOM 1211 CD LYS A 75 -12.058 2.625 0.577 1.00 74.31 C ATOM 1212 CE LYS A 75 -12.949 2.641 1.814 1.00 51.42 C ATOM 1213 NZ LYS A 75 -12.934 3.963 2.494 1.00 12.55 N ATOM 0 H LYS A 75 -10.015 4.205 -3.489 1.00 21.01 H new ATOM 0 HA LYS A 75 -12.790 4.452 -3.243 1.00 1.15 H new ATOM 0 HB2 LYS A 75 -11.466 2.734 -2.115 1.00 3.10 H new ATOM 0 HB3 LYS A 75 -10.548 3.944 -1.240 1.00 3.10 H new ATOM 0 HG2 LYS A 75 -12.642 4.610 -0.029 1.00 51.03 H new ATOM 0 HG3 LYS A 75 -13.503 3.329 -0.860 1.00 51.03 H new ATOM 0 HD2 LYS A 75 -12.051 1.622 0.149 1.00 74.31 H new ATOM 0 HD3 LYS A 75 -11.033 2.856 0.867 1.00 74.31 H new ATOM 0 HE2 LYS A 75 -13.971 2.392 1.528 1.00 51.42 H new ATOM 0 HE3 LYS A 75 -12.616 1.871 2.510 1.00 51.42 H new ATOM 0 HZ1 LYS A 75 -13.335 3.867 3.449 1.00 12.55 H new ATOM 0 HZ2 LYS A 75 -11.955 4.307 2.563 1.00 12.55 H new ATOM 0 HZ3 LYS A 75 -13.502 4.641 1.947 1.00 12.55 H new ATOM 1227 N VAL A 76 -11.121 6.863 -1.727 1.00 1.01 N ATOM 1228 CA VAL A 76 -11.273 8.201 -1.140 1.00 33.20 C ATOM 1229 C VAL A 76 -11.424 9.286 -2.228 1.00 1.03 C ATOM 1230 O VAL A 76 -12.223 10.214 -2.082 1.00 74.10 O ATOM 1231 CB VAL A 76 -10.090 8.553 -0.197 1.00 71.44 C ATOM 1232 CG1 VAL A 76 -8.763 8.561 -0.950 1.00 42.11 C ATOM 1233 CG2 VAL A 76 -10.332 9.894 0.498 1.00 4.32 C ATOM 0 H VAL A 76 -10.154 6.563 -1.849 1.00 1.01 H new ATOM 0 HA VAL A 76 -12.188 8.179 -0.547 1.00 33.20 H new ATOM 0 HB VAL A 76 -10.031 7.778 0.567 1.00 71.44 H new ATOM 0 HG11 VAL A 76 -7.956 8.811 -0.262 1.00 42.11 H new ATOM 0 HG12 VAL A 76 -8.582 7.575 -1.379 1.00 42.11 H new ATOM 0 HG13 VAL A 76 -8.802 9.302 -1.748 1.00 42.11 H new ATOM 0 HG21 VAL A 76 -9.491 10.121 1.154 1.00 4.32 H new ATOM 0 HG22 VAL A 76 -10.430 10.680 -0.251 1.00 4.32 H new ATOM 0 HG23 VAL A 76 -11.247 9.838 1.088 1.00 4.32 H new ATOM 1243 N ALA A 77 -10.670 9.154 -3.327 1.00 51.02 N ATOM 1244 CA ALA A 77 -10.738 10.114 -4.442 1.00 33.24 C ATOM 1245 C ALA A 77 -12.136 10.159 -5.075 1.00 42.13 C ATOM 1246 O ALA A 77 -12.526 11.160 -5.678 1.00 33.51 O ATOM 1247 CB ALA A 77 -9.692 9.772 -5.501 1.00 20.41 C ATOM 0 H ALA A 77 -10.006 8.393 -3.470 1.00 51.02 H new ATOM 0 HA ALA A 77 -10.528 11.103 -4.035 1.00 33.24 H new ATOM 0 HB1 ALA A 77 -9.754 10.490 -6.319 1.00 20.41 H new ATOM 0 HB2 ALA A 77 -8.698 9.813 -5.057 1.00 20.41 H new ATOM 0 HB3 ALA A 77 -9.877 8.769 -5.884 1.00 20.41 H new ATOM 1253 N ALA A 78 -12.886 9.067 -4.929 1.00 62.44 N ATOM 1254 CA ALA A 78 -14.255 8.981 -5.446 1.00 54.22 C ATOM 1255 C ALA A 78 -15.166 10.069 -4.848 1.00 24.11 C ATOM 1256 O ALA A 78 -16.187 10.428 -5.436 1.00 1.13 O ATOM 1257 CB ALA A 78 -14.835 7.596 -5.174 1.00 71.35 C ATOM 0 H ALA A 78 -12.567 8.223 -4.454 1.00 62.44 H new ATOM 0 HA ALA A 78 -14.211 9.148 -6.522 1.00 54.22 H new ATOM 0 HB1 ALA A 78 -15.852 7.545 -5.563 1.00 71.35 H new ATOM 0 HB2 ALA A 78 -14.220 6.841 -5.665 1.00 71.35 H new ATOM 0 HB3 ALA A 78 -14.847 7.411 -4.100 1.00 71.35 H new ATOM 1263 N GLN A 79 -14.791 10.593 -3.681 1.00 30.20 N ATOM 1264 CA GLN A 79 -15.566 11.654 -3.022 1.00 13.50 C ATOM 1265 C GLN A 79 -15.230 13.046 -3.591 1.00 24.33 C ATOM 1266 O GLN A 79 -15.892 14.035 -3.266 1.00 53.14 O ATOM 1267 CB GLN A 79 -15.299 11.642 -1.510 1.00 2.11 C ATOM 1268 CG GLN A 79 -15.650 10.328 -0.820 1.00 11.32 C ATOM 1269 CD GLN A 79 -15.428 10.383 0.684 1.00 64.12 C ATOM 1270 OE1 GLN A 79 -16.325 10.731 1.445 1.00 22.50 O ATOM 1271 NE2 GLN A 79 -14.227 10.059 1.122 1.00 32.12 N ATOM 0 H GLN A 79 -13.957 10.303 -3.170 1.00 30.20 H new ATOM 0 HA GLN A 79 -16.620 11.455 -3.214 1.00 13.50 H new ATOM 0 HB2 GLN A 79 -14.245 11.859 -1.338 1.00 2.11 H new ATOM 0 HB3 GLN A 79 -15.870 12.446 -1.046 1.00 2.11 H new ATOM 0 HG2 GLN A 79 -16.693 10.083 -1.021 1.00 11.32 H new ATOM 0 HG3 GLN A 79 -15.046 9.526 -1.244 1.00 11.32 H new ATOM 0 HE21 GLN A 79 -13.503 9.774 0.462 1.00 32.12 H new ATOM 0 HE22 GLN A 79 -14.022 10.094 2.121 1.00 32.12 H new ATOM 1280 N ASN A 80 -14.197 13.126 -4.432 1.00 12.24 N ATOM 1281 CA ASN A 80 -13.746 14.414 -4.980 1.00 63.34 C ATOM 1282 C ASN A 80 -13.212 14.286 -6.418 1.00 53.13 C ATOM 1283 O ASN A 80 -12.384 15.092 -6.854 1.00 24.13 O ATOM 1284 CB ASN A 80 -12.664 15.012 -4.070 1.00 65.32 C ATOM 1285 CG ASN A 80 -11.434 14.124 -3.953 1.00 62.54 C ATOM 1286 OD1 ASN A 80 -11.338 13.283 -3.064 1.00 1.23 O ATOM 1287 ND2 ASN A 80 -10.484 14.298 -4.853 1.00 55.32 N ATOM 0 H ASN A 80 -13.657 12.321 -4.749 1.00 12.24 H new ATOM 0 HA ASN A 80 -14.612 15.076 -5.016 1.00 63.34 H new ATOM 0 HB2 ASN A 80 -12.367 15.986 -4.458 1.00 65.32 H new ATOM 0 HB3 ASN A 80 -13.082 15.178 -3.077 1.00 65.32 H new ATOM 0 HD21 ASN A 80 -9.641 13.725 -4.822 1.00 55.32 H new ATOM 0 HD22 ASN A 80 -10.593 15.005 -5.580 1.00 55.32 H new ATOM 1294 N TYR A 81 -13.704 13.301 -7.166 1.00 63.32 N ATOM 1295 CA TYR A 81 -13.225 13.073 -8.535 1.00 41.30 C ATOM 1296 C TYR A 81 -13.755 14.140 -9.512 1.00 13.31 C ATOM 1297 O TYR A 81 -14.958 14.414 -9.567 1.00 20.42 O ATOM 1298 CB TYR A 81 -13.615 11.670 -9.030 1.00 14.05 C ATOM 1299 CG TYR A 81 -13.093 11.370 -10.426 1.00 65.42 C ATOM 1300 CD1 TYR A 81 -11.777 10.962 -10.625 1.00 42.11 C ATOM 1301 CD2 TYR A 81 -13.905 11.522 -11.547 1.00 43.24 C ATOM 1302 CE1 TYR A 81 -11.288 10.719 -11.895 1.00 71.32 C ATOM 1303 CE2 TYR A 81 -13.425 11.274 -12.818 1.00 60.23 C ATOM 1304 CZ TYR A 81 -12.116 10.874 -12.987 1.00 53.31 C ATOM 1305 OH TYR A 81 -11.626 10.653 -14.257 1.00 54.22 O ATOM 0 H TYR A 81 -14.427 12.652 -6.855 1.00 63.32 H new ATOM 0 HA TYR A 81 -12.138 13.149 -8.507 1.00 41.30 H new ATOM 0 HB2 TYR A 81 -13.229 10.924 -8.335 1.00 14.05 H new ATOM 0 HB3 TYR A 81 -14.701 11.577 -9.026 1.00 14.05 H new ATOM 0 HD1 TYR A 81 -11.127 10.833 -9.772 1.00 42.11 H new ATOM 0 HD2 TYR A 81 -14.929 11.840 -11.420 1.00 43.24 H new ATOM 0 HE1 TYR A 81 -10.262 10.409 -12.031 1.00 71.32 H new ATOM 0 HE2 TYR A 81 -14.071 11.393 -13.675 1.00 60.23 H new ATOM 0 HH TYR A 81 -10.682 10.397 -14.203 1.00 54.22 H new ATOM 1315 N ARG A 82 -12.841 14.730 -10.285 1.00 34.51 N ATOM 1316 CA ARG A 82 -13.191 15.727 -11.303 1.00 62.34 C ATOM 1317 C ARG A 82 -14.123 15.108 -12.359 1.00 52.44 C ATOM 1318 O ARG A 82 -13.697 14.297 -13.181 1.00 15.21 O ATOM 1319 CB ARG A 82 -11.909 16.272 -11.945 1.00 72.42 C ATOM 1320 CG ARG A 82 -12.124 17.461 -12.876 1.00 71.52 C ATOM 1321 CD ARG A 82 -10.801 18.117 -13.263 1.00 41.23 C ATOM 1322 NE ARG A 82 -10.041 18.532 -12.083 1.00 63.35 N ATOM 1323 CZ ARG A 82 -8.927 19.210 -12.120 1.00 15.43 C ATOM 1324 NH1 ARG A 82 -8.415 19.587 -13.246 1.00 34.34 N ATOM 1325 NH2 ARG A 82 -8.322 19.516 -11.019 1.00 12.35 N ATOM 0 H ARG A 82 -11.842 14.533 -10.225 1.00 34.51 H new ATOM 0 HA ARG A 82 -13.725 16.554 -10.835 1.00 62.34 H new ATOM 0 HB2 ARG A 82 -11.218 16.566 -11.155 1.00 72.42 H new ATOM 0 HB3 ARG A 82 -11.429 15.470 -12.506 1.00 72.42 H new ATOM 0 HG2 ARG A 82 -12.644 17.131 -13.775 1.00 71.52 H new ATOM 0 HG3 ARG A 82 -12.766 18.195 -12.388 1.00 71.52 H new ATOM 0 HD2 ARG A 82 -10.207 17.419 -13.853 1.00 41.23 H new ATOM 0 HD3 ARG A 82 -10.995 18.984 -13.895 1.00 41.23 H new ATOM 0 HE ARG A 82 -10.408 18.273 -11.167 1.00 63.35 H new ATOM 0 HH11 ARG A 82 -8.883 19.355 -14.122 1.00 34.34 H new ATOM 0 HH12 ARG A 82 -7.543 20.117 -13.258 1.00 34.34 H new ATOM 0 HH21 ARG A 82 -8.716 19.227 -10.123 1.00 12.35 H new ATOM 0 HH22 ARG A 82 -7.451 20.046 -11.046 1.00 12.35 H new ATOM 1339 N LYS A 83 -15.392 15.497 -12.319 1.00 42.11 N ATOM 1340 CA LYS A 83 -16.447 14.827 -13.096 1.00 22.54 C ATOM 1341 C LYS A 83 -16.196 14.865 -14.620 1.00 65.42 C ATOM 1342 O LYS A 83 -15.840 15.906 -15.178 1.00 40.25 O ATOM 1343 CB LYS A 83 -17.810 15.457 -12.774 1.00 64.33 C ATOM 1344 CG LYS A 83 -18.992 14.532 -13.049 1.00 20.44 C ATOM 1345 CD LYS A 83 -18.971 13.280 -12.162 1.00 15.32 C ATOM 1346 CE LYS A 83 -19.290 13.578 -10.692 1.00 34.45 C ATOM 1347 NZ LYS A 83 -18.260 14.428 -10.024 1.00 34.31 N ATOM 0 H LYS A 83 -15.725 16.279 -11.754 1.00 42.11 H new ATOM 0 HA LYS A 83 -16.437 13.777 -12.803 1.00 22.54 H new ATOM 0 HB2 LYS A 83 -17.826 15.751 -11.724 1.00 64.33 H new ATOM 0 HB3 LYS A 83 -17.928 16.367 -13.362 1.00 64.33 H new ATOM 0 HG2 LYS A 83 -19.922 15.076 -12.884 1.00 20.44 H new ATOM 0 HG3 LYS A 83 -18.980 14.232 -14.097 1.00 20.44 H new ATOM 0 HD2 LYS A 83 -19.693 12.559 -12.545 1.00 15.32 H new ATOM 0 HD3 LYS A 83 -17.988 12.813 -12.227 1.00 15.32 H new ATOM 0 HE2 LYS A 83 -20.257 14.077 -10.631 1.00 34.45 H new ATOM 0 HE3 LYS A 83 -19.382 12.637 -10.150 1.00 34.45 H new ATOM 0 HZ1 LYS A 83 -18.172 14.148 -9.026 1.00 34.31 H new ATOM 0 HZ2 LYS A 83 -17.344 14.303 -10.501 1.00 34.31 H new ATOM 0 HZ3 LYS A 83 -18.545 15.427 -10.079 1.00 34.31 H new ATOM 1361 N ARG A 84 -16.409 13.724 -15.284 1.00 22.43 N ATOM 1362 CA ARG A 84 -16.228 13.608 -16.741 1.00 72.13 C ATOM 1363 C ARG A 84 -17.482 14.077 -17.500 1.00 62.31 C ATOM 1364 O ARG A 84 -18.524 13.414 -17.478 1.00 34.13 O ATOM 1365 CB ARG A 84 -15.918 12.152 -17.125 1.00 64.00 C ATOM 1366 CG ARG A 84 -14.651 11.590 -16.485 1.00 11.33 C ATOM 1367 CD ARG A 84 -14.445 10.118 -16.837 1.00 10.03 C ATOM 1368 NE ARG A 84 -13.239 9.569 -16.217 1.00 1.15 N ATOM 1369 CZ ARG A 84 -12.941 8.299 -16.168 1.00 14.54 C ATOM 1370 NH1 ARG A 84 -13.734 7.412 -16.681 1.00 61.25 N ATOM 1371 NH2 ARG A 84 -11.841 7.918 -15.603 1.00 65.15 N ATOM 0 H ARG A 84 -16.709 12.859 -14.834 1.00 22.43 H new ATOM 0 HA ARG A 84 -15.392 14.248 -17.021 1.00 72.13 H new ATOM 0 HB2 ARG A 84 -16.763 11.526 -16.840 1.00 64.00 H new ATOM 0 HB3 ARG A 84 -15.823 12.087 -18.209 1.00 64.00 H new ATOM 0 HG2 ARG A 84 -13.788 12.168 -16.817 1.00 11.33 H new ATOM 0 HG3 ARG A 84 -14.711 11.700 -15.402 1.00 11.33 H new ATOM 0 HD2 ARG A 84 -15.313 9.543 -16.513 1.00 10.03 H new ATOM 0 HD3 ARG A 84 -14.377 10.010 -17.920 1.00 10.03 H new ATOM 0 HE ARG A 84 -12.584 10.226 -15.793 1.00 1.15 H new ATOM 0 HH11 ARG A 84 -14.603 7.703 -17.130 1.00 61.25 H new ATOM 0 HH12 ARG A 84 -13.490 6.423 -16.636 1.00 61.25 H new ATOM 0 HH21 ARG A 84 -11.210 8.609 -15.198 1.00 65.15 H new ATOM 0 HH22 ARG A 84 -11.605 6.926 -15.563 1.00 65.15 H new ATOM 1385 N LYS A 85 -17.371 15.217 -18.174 1.00 2.12 N ATOM 1386 CA LYS A 85 -18.479 15.782 -18.950 1.00 25.11 C ATOM 1387 C LYS A 85 -18.798 14.932 -20.193 1.00 51.21 C ATOM 1388 O LYS A 85 -17.920 14.664 -21.017 1.00 75.11 O ATOM 1389 CB LYS A 85 -18.128 17.215 -19.382 1.00 61.23 C ATOM 1390 CG LYS A 85 -19.198 17.887 -20.241 1.00 41.34 C ATOM 1391 CD LYS A 85 -18.787 19.288 -20.706 1.00 41.10 C ATOM 1392 CE LYS A 85 -17.687 19.270 -21.775 1.00 30.30 C ATOM 1393 NZ LYS A 85 -16.361 18.836 -21.247 1.00 2.35 N ATOM 0 H LYS A 85 -16.518 15.775 -18.201 1.00 2.12 H new ATOM 0 HA LYS A 85 -19.364 15.788 -18.313 1.00 25.11 H new ATOM 0 HB2 LYS A 85 -17.959 17.820 -18.491 1.00 61.23 H new ATOM 0 HB3 LYS A 85 -17.190 17.196 -19.937 1.00 61.23 H new ATOM 0 HG2 LYS A 85 -19.403 17.265 -21.112 1.00 41.34 H new ATOM 0 HG3 LYS A 85 -20.125 17.955 -19.672 1.00 41.34 H new ATOM 0 HD2 LYS A 85 -19.662 19.804 -21.102 1.00 41.10 H new ATOM 0 HD3 LYS A 85 -18.441 19.862 -19.847 1.00 41.10 H new ATOM 0 HE2 LYS A 85 -17.985 18.602 -22.583 1.00 30.30 H new ATOM 0 HE3 LYS A 85 -17.591 20.267 -22.205 1.00 30.30 H new ATOM 0 HZ1 LYS A 85 -15.611 19.418 -21.672 1.00 2.35 H new ATOM 0 HZ2 LYS A 85 -16.345 18.950 -20.213 1.00 2.35 H new ATOM 0 HZ3 LYS A 85 -16.202 17.837 -21.487 1.00 2.35 H new ATOM 1407 N LEU A 86 -20.055 14.511 -20.330 1.00 24.23 N ATOM 1408 CA LEU A 86 -20.491 13.779 -21.523 1.00 14.42 C ATOM 1409 C LEU A 86 -20.962 14.763 -22.607 1.00 2.01 C ATOM 1410 O LEU A 86 -22.131 15.149 -22.659 1.00 22.14 O ATOM 1411 CB LEU A 86 -21.607 12.786 -21.171 1.00 25.43 C ATOM 1412 CG LEU A 86 -22.138 11.943 -22.345 1.00 72.41 C ATOM 1413 CD1 LEU A 86 -21.032 11.078 -22.946 1.00 61.23 C ATOM 1414 CD2 LEU A 86 -23.314 11.082 -21.894 1.00 51.24 C ATOM 0 H LEU A 86 -20.787 14.662 -19.636 1.00 24.23 H new ATOM 0 HA LEU A 86 -19.645 13.213 -21.912 1.00 14.42 H new ATOM 0 HB2 LEU A 86 -21.238 12.111 -20.399 1.00 25.43 H new ATOM 0 HB3 LEU A 86 -22.440 13.340 -20.739 1.00 25.43 H new ATOM 0 HG LEU A 86 -22.486 12.624 -23.121 1.00 72.41 H new ATOM 0 HD11 LEU A 86 -21.436 10.494 -23.773 1.00 61.23 H new ATOM 0 HD12 LEU A 86 -20.228 11.717 -23.312 1.00 61.23 H new ATOM 0 HD13 LEU A 86 -20.641 10.405 -22.183 1.00 61.23 H new ATOM 0 HD21 LEU A 86 -23.677 10.493 -22.736 1.00 51.24 H new ATOM 0 HD22 LEU A 86 -22.991 10.414 -21.096 1.00 51.24 H new ATOM 0 HD23 LEU A 86 -24.115 11.724 -21.528 1.00 51.24 H new ATOM 1426 N GLU A 87 -20.027 15.193 -23.447 1.00 54.31 N ATOM 1427 CA GLU A 87 -20.301 16.196 -24.479 1.00 34.52 C ATOM 1428 C GLU A 87 -20.590 15.540 -25.841 1.00 1.11 C ATOM 1429 O GLU A 87 -19.673 15.205 -26.591 1.00 53.23 O ATOM 1430 CB GLU A 87 -19.104 17.155 -24.583 1.00 52.03 C ATOM 1431 CG GLU A 87 -19.302 18.318 -25.549 1.00 74.21 C ATOM 1432 CD GLU A 87 -18.122 19.280 -25.555 1.00 61.44 C ATOM 1433 OE1 GLU A 87 -17.080 18.951 -26.165 1.00 34.10 O ATOM 1434 OE2 GLU A 87 -18.226 20.367 -24.949 1.00 71.34 O ATOM 0 H GLU A 87 -19.063 14.861 -23.435 1.00 54.31 H new ATOM 0 HA GLU A 87 -21.193 16.754 -24.195 1.00 34.52 H new ATOM 0 HB2 GLU A 87 -18.890 17.556 -23.592 1.00 52.03 H new ATOM 0 HB3 GLU A 87 -18.227 16.587 -24.894 1.00 52.03 H new ATOM 0 HG2 GLU A 87 -19.453 17.928 -26.556 1.00 74.21 H new ATOM 0 HG3 GLU A 87 -20.207 18.861 -25.278 1.00 74.21 H new ATOM 1441 N THR A 88 -21.873 15.335 -26.145 1.00 71.13 N ATOM 1442 CA THR A 88 -22.278 14.762 -27.437 1.00 75.34 C ATOM 1443 C THR A 88 -22.444 15.860 -28.497 1.00 70.51 C ATOM 1444 O THR A 88 -23.523 16.440 -28.652 1.00 14.11 O ATOM 1445 CB THR A 88 -23.601 13.952 -27.330 1.00 52.21 C ATOM 1446 OG1 THR A 88 -23.468 12.906 -26.350 1.00 62.34 O ATOM 1447 CG2 THR A 88 -23.982 13.334 -28.672 1.00 51.10 C ATOM 0 H THR A 88 -22.648 15.555 -25.520 1.00 71.13 H new ATOM 0 HA THR A 88 -21.481 14.081 -27.737 1.00 75.34 H new ATOM 0 HB THR A 88 -24.387 14.644 -27.027 1.00 52.21 H new ATOM 0 HG1 THR A 88 -24.308 12.405 -26.291 1.00 62.34 H new ATOM 0 HG21 THR A 88 -24.911 12.774 -28.564 1.00 51.10 H new ATOM 0 HG22 THR A 88 -24.118 14.124 -29.411 1.00 51.10 H new ATOM 0 HG23 THR A 88 -23.190 12.662 -29.001 1.00 51.10 H new ATOM 1455 N ILE A 89 -21.358 16.162 -29.204 1.00 2.35 N ATOM 1456 CA ILE A 89 -21.363 17.209 -30.236 1.00 3.42 C ATOM 1457 C ILE A 89 -20.793 16.695 -31.569 1.00 41.22 C ATOM 1458 O ILE A 89 -19.590 16.447 -31.688 1.00 21.40 O ATOM 1459 CB ILE A 89 -20.548 18.453 -29.777 1.00 34.31 C ATOM 1460 CG1 ILE A 89 -21.137 19.057 -28.487 1.00 43.04 C ATOM 1461 CG2 ILE A 89 -20.493 19.508 -30.881 1.00 2.42 C ATOM 1462 CD1 ILE A 89 -22.555 19.569 -28.632 1.00 3.23 C ATOM 0 H ILE A 89 -20.458 15.698 -29.084 1.00 2.35 H new ATOM 0 HA ILE A 89 -22.404 17.495 -30.387 1.00 3.42 H new ATOM 0 HB ILE A 89 -19.531 18.122 -29.566 1.00 34.31 H new ATOM 0 HG12 ILE A 89 -21.114 18.301 -27.702 1.00 43.04 H new ATOM 0 HG13 ILE A 89 -20.498 19.877 -28.159 1.00 43.04 H new ATOM 0 HG21 ILE A 89 -19.918 20.367 -30.535 1.00 2.42 H new ATOM 0 HG22 ILE A 89 -20.017 19.085 -31.765 1.00 2.42 H new ATOM 0 HG23 ILE A 89 -21.505 19.826 -31.131 1.00 2.42 H new ATOM 0 HD11 ILE A 89 -22.894 19.977 -27.680 1.00 3.23 H new ATOM 0 HD12 ILE A 89 -22.584 20.349 -29.392 1.00 3.23 H new ATOM 0 HD13 ILE A 89 -23.209 18.749 -28.928 1.00 3.23 H new ATOM 1474 N VAL A 90 -21.663 16.539 -32.567 1.00 71.24 N ATOM 1475 CA VAL A 90 -21.251 16.078 -33.897 1.00 74.13 C ATOM 1476 C VAL A 90 -22.261 16.506 -34.980 1.00 41.22 C ATOM 1477 O VAL A 90 -23.479 16.440 -34.778 1.00 33.21 O ATOM 1478 CB VAL A 90 -21.057 14.536 -33.933 1.00 70.43 C ATOM 1479 CG1 VAL A 90 -22.349 13.810 -33.574 1.00 34.54 C ATOM 1480 CG2 VAL A 90 -20.533 14.079 -35.296 1.00 10.34 C ATOM 0 H VAL A 90 -22.662 16.726 -32.481 1.00 71.24 H new ATOM 0 HA VAL A 90 -20.292 16.551 -34.111 1.00 74.13 H new ATOM 0 HB VAL A 90 -20.310 14.278 -33.183 1.00 70.43 H new ATOM 0 HG11 VAL A 90 -22.183 12.733 -33.608 1.00 34.54 H new ATOM 0 HG12 VAL A 90 -22.661 14.098 -32.570 1.00 34.54 H new ATOM 0 HG13 VAL A 90 -23.128 14.079 -34.287 1.00 34.54 H new ATOM 0 HG21 VAL A 90 -20.407 12.996 -35.293 1.00 10.34 H new ATOM 0 HG22 VAL A 90 -21.245 14.359 -36.072 1.00 10.34 H new ATOM 0 HG23 VAL A 90 -19.573 14.556 -35.495 1.00 10.34 H new ATOM 1490 N GLN A 91 -21.738 16.948 -36.123 1.00 13.33 N ATOM 1491 CA GLN A 91 -22.563 17.411 -37.253 1.00 53.01 C ATOM 1492 C GLN A 91 -23.486 16.299 -37.796 1.00 72.32 C ATOM 1493 O GLN A 91 -22.968 15.304 -38.357 1.00 38.28 O ATOM 1494 CB GLN A 91 -21.652 17.931 -38.376 1.00 23.21 C ATOM 1495 CG GLN A 91 -22.403 18.378 -39.629 1.00 51.01 C ATOM 1496 CD GLN A 91 -21.479 18.884 -40.722 1.00 64.40 C ATOM 1497 OE1 GLN A 91 -20.334 18.459 -40.835 1.00 43.31 O ATOM 1498 NE2 GLN A 91 -21.973 19.779 -41.549 1.00 54.53 N ATOM 1499 OXT GLN A 91 -24.727 16.431 -37.674 1.00 38.28 O ATOM 0 H GLN A 91 -20.734 16.998 -36.298 1.00 13.33 H new ATOM 0 HA GLN A 91 -23.203 18.214 -36.889 1.00 53.01 H new ATOM 0 HB2 GLN A 91 -21.068 18.769 -37.997 1.00 23.21 H new ATOM 0 HB3 GLN A 91 -20.945 17.147 -38.649 1.00 23.21 H new ATOM 0 HG2 GLN A 91 -22.989 17.543 -40.013 1.00 51.01 H new ATOM 0 HG3 GLN A 91 -23.108 19.166 -39.363 1.00 51.01 H new ATOM 0 HE21 GLN A 91 -22.929 20.112 -41.428 1.00 54.53 H new ATOM 0 HE22 GLN A 91 -21.400 20.140 -42.312 1.00 54.53 H new TER 1508 GLN A 91