USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 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 23 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 MET CE :methyl 153:sc= -0.512 (180deg=-1.02) USER MOD Set 2.1: A 17 GLN : amide:sc= -0.446 K(o=-0.82,f=-1.8) USER MOD Set 2.2: A 25 GLN : amide:sc= -0.37 K(o=-0.82,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 48:sc= 0.0417 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 51:sc= 0.176 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -153:sc= -0.0775 (180deg=-0.465) USER MOD Single : A 22 ASN : amide:sc= -2.59 K(o=-2.6,f=-3.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -4.05! C(o=-4!,f=-9.3!) USER MOD Single : A 38 ASN : amide:sc= -0.0245 X(o=-0.024,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 45 SER OG : rot -69:sc= 0.00471 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 24:sc= 0.263 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.847 -6.905 23.893 1.00 0.00 N ATOM 2 CA GLY A 1 8.640 -6.964 24.699 1.00 0.00 C ATOM 3 C GLY A 1 7.401 -6.669 23.853 1.00 0.00 C ATOM 4 O GLY A 1 7.114 -5.512 23.548 1.00 0.00 O ATOM 0 H1 GLY A 1 10.674 -7.109 24.490 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.789 -7.609 23.130 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.943 -5.955 23.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.549 -7.951 25.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.708 -6.244 25.515 1.00 0.00 H new ATOM 8 N SER A 2 6.698 -7.735 23.498 1.00 0.00 N ATOM 9 CA SER A 2 5.496 -7.604 22.693 1.00 0.00 C ATOM 10 C SER A 2 4.479 -6.715 23.411 1.00 0.00 C ATOM 11 O SER A 2 3.766 -7.176 24.301 1.00 0.00 O ATOM 12 CB SER A 2 4.884 -8.974 22.391 1.00 0.00 C ATOM 13 OG SER A 2 4.270 -9.013 21.106 1.00 0.00 O ATOM 0 H SER A 2 6.938 -8.693 23.753 1.00 0.00 H new ATOM 0 HA SER A 2 5.768 -7.140 21.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.660 -9.738 22.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.144 -9.217 23.154 1.00 0.00 H new ATOM 0 HG SER A 2 3.893 -9.904 20.950 1.00 0.00 H new ATOM 19 N SER A 3 4.444 -5.457 22.997 1.00 0.00 N ATOM 20 CA SER A 3 3.526 -4.499 23.590 1.00 0.00 C ATOM 21 C SER A 3 2.145 -4.629 22.944 1.00 0.00 C ATOM 22 O SER A 3 1.158 -4.892 23.629 1.00 0.00 O ATOM 23 CB SER A 3 4.050 -3.070 23.441 1.00 0.00 C ATOM 24 OG SER A 3 5.332 -2.906 24.041 1.00 0.00 O ATOM 0 H SER A 3 5.037 -5.079 22.258 1.00 0.00 H new ATOM 0 HA SER A 3 3.444 -4.717 24.655 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.110 -2.814 22.383 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.345 -2.376 23.898 1.00 0.00 H new ATOM 0 HG SER A 3 5.923 -3.634 23.755 1.00 0.00 H new ATOM 30 N GLY A 4 2.120 -4.438 21.633 1.00 0.00 N ATOM 31 CA GLY A 4 0.877 -4.530 20.887 1.00 0.00 C ATOM 32 C GLY A 4 0.717 -3.340 19.940 1.00 0.00 C ATOM 33 O GLY A 4 0.314 -2.257 20.360 1.00 0.00 O ATOM 0 H GLY A 4 2.941 -4.220 21.068 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.859 -5.458 20.316 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.035 -4.565 21.579 1.00 0.00 H new ATOM 37 N SER A 5 1.040 -3.582 18.678 1.00 0.00 N ATOM 38 CA SER A 5 0.937 -2.543 17.667 1.00 0.00 C ATOM 39 C SER A 5 -0.526 -2.136 17.482 1.00 0.00 C ATOM 40 O SER A 5 -1.432 -2.869 17.875 1.00 0.00 O ATOM 41 CB SER A 5 1.531 -3.009 16.336 1.00 0.00 C ATOM 42 OG SER A 5 2.681 -2.253 15.970 1.00 0.00 O ATOM 0 H SER A 5 1.373 -4.482 18.332 1.00 0.00 H new ATOM 0 HA SER A 5 1.508 -1.678 18.006 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.798 -4.063 16.408 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.777 -2.924 15.553 1.00 0.00 H new ATOM 0 HG SER A 5 3.031 -2.583 15.116 1.00 0.00 H new ATOM 48 N SER A 6 -0.711 -0.969 16.883 1.00 0.00 N ATOM 49 CA SER A 6 -2.049 -0.455 16.642 1.00 0.00 C ATOM 50 C SER A 6 -2.052 0.429 15.393 1.00 0.00 C ATOM 51 O SER A 6 -1.233 1.338 15.269 1.00 0.00 O ATOM 52 CB SER A 6 -2.564 0.330 17.850 1.00 0.00 C ATOM 53 OG SER A 6 -3.972 0.537 17.790 1.00 0.00 O ATOM 0 H SER A 6 0.043 -0.364 16.557 1.00 0.00 H new ATOM 0 HA SER A 6 -2.717 -1.301 16.482 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.315 -0.208 18.765 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.057 1.294 17.899 1.00 0.00 H new ATOM 0 HG SER A 6 -4.263 1.040 18.579 1.00 0.00 H new ATOM 59 N GLY A 7 -2.983 0.131 14.499 1.00 0.00 N ATOM 60 CA GLY A 7 -3.104 0.888 13.264 1.00 0.00 C ATOM 61 C GLY A 7 -2.410 0.165 12.108 1.00 0.00 C ATOM 62 O GLY A 7 -1.582 0.752 11.413 1.00 0.00 O ATOM 0 H GLY A 7 -3.661 -0.624 14.605 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.157 1.036 13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.665 1.877 13.395 1.00 0.00 H new ATOM 66 N CYS A 8 -2.772 -1.098 11.939 1.00 0.00 N ATOM 67 CA CYS A 8 -2.194 -1.907 10.879 1.00 0.00 C ATOM 68 C CYS A 8 -2.966 -3.226 10.806 1.00 0.00 C ATOM 69 O CYS A 8 -3.815 -3.500 11.653 1.00 0.00 O ATOM 70 CB CYS A 8 -0.696 -2.133 11.093 1.00 0.00 C ATOM 71 SG CYS A 8 -0.417 -3.025 12.666 1.00 0.00 S ATOM 0 H CYS A 8 -3.458 -1.581 12.518 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.283 -1.382 9.928 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.284 -2.706 10.262 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.174 -1.176 11.110 1.00 0.00 H new ATOM 0 HG CYS A 8 0.858 -3.214 12.837 1.00 0.00 H new ATOM 77 N SER A 9 -2.644 -4.007 9.786 1.00 0.00 N ATOM 78 CA SER A 9 -3.296 -5.291 9.591 1.00 0.00 C ATOM 79 C SER A 9 -2.540 -6.108 8.542 1.00 0.00 C ATOM 80 O SER A 9 -1.966 -5.549 7.610 1.00 0.00 O ATOM 81 CB SER A 9 -4.756 -5.109 9.172 1.00 0.00 C ATOM 82 OG SER A 9 -5.657 -5.374 10.244 1.00 0.00 O ATOM 0 H SER A 9 -1.940 -3.776 9.085 1.00 0.00 H new ATOM 0 HA SER A 9 -3.283 -5.829 10.539 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.906 -4.090 8.816 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.979 -5.774 8.338 1.00 0.00 H new ATOM 0 HG SER A 9 -5.384 -4.863 11.034 1.00 0.00 H new ATOM 88 N GLU A 10 -2.565 -7.420 8.729 1.00 0.00 N ATOM 89 CA GLU A 10 -1.889 -8.320 7.810 1.00 0.00 C ATOM 90 C GLU A 10 -2.702 -8.472 6.523 1.00 0.00 C ATOM 91 O GLU A 10 -2.161 -8.849 5.484 1.00 0.00 O ATOM 92 CB GLU A 10 -1.635 -9.680 8.463 1.00 0.00 C ATOM 93 CG GLU A 10 -0.706 -10.537 7.600 1.00 0.00 C ATOM 94 CD GLU A 10 0.532 -10.968 8.390 1.00 0.00 C ATOM 95 OE1 GLU A 10 0.343 -11.417 9.541 1.00 0.00 O ATOM 96 OE2 GLU A 10 1.639 -10.838 7.824 1.00 0.00 O ATOM 0 H GLU A 10 -3.043 -7.881 9.503 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.920 -7.890 7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.193 -9.537 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.582 -10.199 8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.242 -11.418 7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.401 -9.974 6.718 1.00 0.00 H new ATOM 103 N GLU A 11 -3.987 -8.172 6.633 1.00 0.00 N ATOM 104 CA GLU A 11 -4.879 -8.270 5.490 1.00 0.00 C ATOM 105 C GLU A 11 -4.530 -7.204 4.451 1.00 0.00 C ATOM 106 O GLU A 11 -4.237 -7.525 3.300 1.00 0.00 O ATOM 107 CB GLU A 11 -6.342 -8.155 5.925 1.00 0.00 C ATOM 108 CG GLU A 11 -7.146 -9.375 5.473 1.00 0.00 C ATOM 109 CD GLU A 11 -8.570 -8.977 5.078 1.00 0.00 C ATOM 110 OE1 GLU A 11 -8.702 -8.305 4.032 1.00 0.00 O ATOM 111 OE2 GLU A 11 -9.494 -9.353 5.830 1.00 0.00 O ATOM 0 H GLU A 11 -4.432 -7.861 7.496 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.746 -9.251 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.396 -8.061 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.780 -7.250 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.649 -9.849 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.180 -10.111 6.276 1.00 0.00 H new ATOM 118 N ASP A 12 -4.573 -5.955 4.893 1.00 0.00 N ATOM 119 CA ASP A 12 -4.265 -4.839 4.015 1.00 0.00 C ATOM 120 C ASP A 12 -2.875 -5.042 3.408 1.00 0.00 C ATOM 121 O ASP A 12 -2.719 -5.024 2.188 1.00 0.00 O ATOM 122 CB ASP A 12 -4.255 -3.518 4.786 1.00 0.00 C ATOM 123 CG ASP A 12 -3.256 -2.478 4.275 1.00 0.00 C ATOM 124 OD1 ASP A 12 -2.043 -2.717 4.461 1.00 0.00 O ATOM 125 OD2 ASP A 12 -3.728 -1.468 3.710 1.00 0.00 O ATOM 0 H ASP A 12 -4.817 -5.692 5.848 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.030 -4.799 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.255 -3.087 4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.035 -3.727 5.833 1.00 0.00 H new ATOM 130 N LEU A 13 -1.902 -5.231 4.287 1.00 0.00 N ATOM 131 CA LEU A 13 -0.531 -5.438 3.852 1.00 0.00 C ATOM 132 C LEU A 13 -0.517 -6.397 2.661 1.00 0.00 C ATOM 133 O LEU A 13 -0.255 -5.986 1.531 1.00 0.00 O ATOM 134 CB LEU A 13 0.339 -5.899 5.023 1.00 0.00 C ATOM 135 CG LEU A 13 1.518 -4.993 5.381 1.00 0.00 C ATOM 136 CD1 LEU A 13 1.537 -4.683 6.879 1.00 0.00 C ATOM 137 CD2 LEU A 13 2.840 -5.599 4.905 1.00 0.00 C ATOM 0 H LEU A 13 -2.036 -5.245 5.298 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.094 -4.499 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.296 -6.000 5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.726 -6.892 4.793 1.00 0.00 H new ATOM 0 HG LEU A 13 1.391 -4.045 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.385 -4.037 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.612 -4.179 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.627 -5.612 7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.662 -4.935 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.988 -6.569 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.813 -5.726 3.823 1.00 0.00 H new ATOM 149 N LYS A 14 -0.802 -7.657 2.953 1.00 0.00 N ATOM 150 CA LYS A 14 -0.826 -8.678 1.919 1.00 0.00 C ATOM 151 C LYS A 14 -1.543 -8.131 0.684 1.00 0.00 C ATOM 152 O LYS A 14 -1.017 -8.199 -0.425 1.00 0.00 O ATOM 153 CB LYS A 14 -1.433 -9.974 2.460 1.00 0.00 C ATOM 154 CG LYS A 14 -0.403 -11.105 2.459 1.00 0.00 C ATOM 155 CD LYS A 14 -0.594 -12.022 3.669 1.00 0.00 C ATOM 156 CE LYS A 14 -1.106 -13.398 3.239 1.00 0.00 C ATOM 157 NZ LYS A 14 -1.595 -14.159 4.411 1.00 0.00 N ATOM 0 H LYS A 14 -1.018 -7.995 3.891 1.00 0.00 H new ATOM 0 HA LYS A 14 0.188 -8.933 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.800 -9.812 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.292 -10.259 1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.495 -11.685 1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.603 -10.686 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.352 -12.132 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.300 -11.569 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.910 -13.282 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.307 -13.952 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.939 -15.090 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.819 -14.285 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.371 -13.637 4.865 1.00 0.00 H new ATOM 171 N ALA A 15 -2.735 -7.601 0.918 1.00 0.00 N ATOM 172 CA ALA A 15 -3.530 -7.042 -0.162 1.00 0.00 C ATOM 173 C ALA A 15 -2.680 -6.048 -0.954 1.00 0.00 C ATOM 174 O ALA A 15 -2.471 -6.222 -2.154 1.00 0.00 O ATOM 175 CB ALA A 15 -4.794 -6.400 0.414 1.00 0.00 C ATOM 0 H ALA A 15 -3.169 -7.547 1.839 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.847 -7.825 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.391 -5.981 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.378 -7.155 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.515 -5.607 1.108 1.00 0.00 H new ATOM 181 N ILE A 16 -2.212 -5.026 -0.252 1.00 0.00 N ATOM 182 CA ILE A 16 -1.389 -4.004 -0.874 1.00 0.00 C ATOM 183 C ILE A 16 -0.182 -4.664 -1.544 1.00 0.00 C ATOM 184 O ILE A 16 0.020 -4.521 -2.749 1.00 0.00 O ATOM 185 CB ILE A 16 -1.014 -2.925 0.143 1.00 0.00 C ATOM 186 CG1 ILE A 16 -2.242 -2.113 0.560 1.00 0.00 C ATOM 187 CG2 ILE A 16 0.109 -2.033 -0.392 1.00 0.00 C ATOM 188 CD1 ILE A 16 -1.900 -1.145 1.695 1.00 0.00 C ATOM 0 H ILE A 16 -2.388 -4.884 0.743 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.947 -3.491 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.635 -3.417 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.622 -1.555 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.037 -2.787 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.356 -1.274 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.990 -2.641 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.219 -1.548 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.790 -0.580 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.544 -1.708 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.122 -0.457 1.364 1.00 0.00 H new ATOM 200 N GLN A 17 0.589 -5.374 -0.733 1.00 0.00 N ATOM 201 CA GLN A 17 1.771 -6.057 -1.231 1.00 0.00 C ATOM 202 C GLN A 17 1.491 -6.666 -2.607 1.00 0.00 C ATOM 203 O GLN A 17 2.257 -6.462 -3.547 1.00 0.00 O ATOM 204 CB GLN A 17 2.244 -7.125 -0.244 1.00 0.00 C ATOM 205 CG GLN A 17 3.672 -6.843 0.227 1.00 0.00 C ATOM 206 CD GLN A 17 4.672 -7.770 -0.469 1.00 0.00 C ATOM 207 OE1 GLN A 17 4.589 -8.985 -0.391 1.00 0.00 O ATOM 208 NE2 GLN A 17 5.618 -7.131 -1.151 1.00 0.00 N ATOM 0 H GLN A 17 0.418 -5.491 0.266 1.00 0.00 H new ATOM 0 HA GLN A 17 2.573 -5.326 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.573 -7.154 0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.200 -8.106 -0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.929 -5.804 0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.736 -6.978 1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.629 -6.111 -1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.333 -7.661 -1.650 1.00 0.00 H new ATOM 217 N ASP A 18 0.392 -7.401 -2.680 1.00 0.00 N ATOM 218 CA ASP A 18 0.001 -8.041 -3.925 1.00 0.00 C ATOM 219 C ASP A 18 -0.047 -6.994 -5.039 1.00 0.00 C ATOM 220 O ASP A 18 0.522 -7.195 -6.110 1.00 0.00 O ATOM 221 CB ASP A 18 -1.388 -8.672 -3.808 1.00 0.00 C ATOM 222 CG ASP A 18 -1.584 -9.957 -4.614 1.00 0.00 C ATOM 223 OD1 ASP A 18 -1.540 -9.859 -5.859 1.00 0.00 O ATOM 224 OD2 ASP A 18 -1.774 -11.010 -3.967 1.00 0.00 O ATOM 0 H ASP A 18 -0.241 -7.568 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 18 0.732 -8.818 -4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.586 -8.886 -2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.131 -7.942 -4.130 1.00 0.00 H new ATOM 229 N MET A 19 -0.733 -5.898 -4.747 1.00 0.00 N ATOM 230 CA MET A 19 -0.863 -4.818 -5.711 1.00 0.00 C ATOM 231 C MET A 19 0.508 -4.263 -6.101 1.00 0.00 C ATOM 232 O MET A 19 0.705 -3.824 -7.233 1.00 0.00 O ATOM 233 CB MET A 19 -1.717 -3.699 -5.111 1.00 0.00 C ATOM 234 CG MET A 19 -3.208 -4.004 -5.265 1.00 0.00 C ATOM 235 SD MET A 19 -3.873 -3.115 -6.662 1.00 0.00 S ATOM 236 CE MET A 19 -3.889 -1.459 -5.996 1.00 0.00 C ATOM 0 H MET A 19 -1.204 -5.735 -3.857 1.00 0.00 H new ATOM 0 HA MET A 19 -1.342 -5.211 -6.608 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.474 -3.578 -4.055 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.483 -2.755 -5.602 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.356 -5.075 -5.402 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.741 -3.722 -4.357 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.669 -0.877 -6.486 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.086 -1.500 -4.925 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.922 -0.988 -6.170 1.00 0.00 H new ATOM 246 N PHE A 20 1.420 -4.299 -5.141 1.00 0.00 N ATOM 247 CA PHE A 20 2.767 -3.804 -5.369 1.00 0.00 C ATOM 248 C PHE A 20 3.809 -4.758 -4.780 1.00 0.00 C ATOM 249 O PHE A 20 4.351 -4.504 -3.705 1.00 0.00 O ATOM 250 CB PHE A 20 2.873 -2.452 -4.661 1.00 0.00 C ATOM 251 CG PHE A 20 1.759 -1.470 -5.026 1.00 0.00 C ATOM 252 CD1 PHE A 20 1.622 -1.043 -6.310 1.00 0.00 C ATOM 253 CD2 PHE A 20 0.904 -1.023 -4.067 1.00 0.00 C ATOM 254 CE1 PHE A 20 0.588 -0.131 -6.649 1.00 0.00 C ATOM 255 CE2 PHE A 20 -0.130 -0.111 -4.406 1.00 0.00 C ATOM 256 CZ PHE A 20 -0.266 0.316 -5.690 1.00 0.00 C ATOM 0 H PHE A 20 1.253 -4.663 -4.203 1.00 0.00 H new ATOM 0 HA PHE A 20 2.956 -3.719 -6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.860 -2.616 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.835 -2.001 -4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.300 -1.398 -7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.012 -1.362 -3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.480 0.208 -7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.808 0.244 -3.644 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.052 1.010 -5.948 1.00 0.00 H new ATOM 266 N PRO A 21 4.064 -5.864 -5.529 1.00 0.00 N ATOM 267 CA PRO A 21 5.031 -6.857 -5.093 1.00 0.00 C ATOM 268 C PRO A 21 6.462 -6.352 -5.288 1.00 0.00 C ATOM 269 O PRO A 21 7.362 -6.718 -4.535 1.00 0.00 O ATOM 270 CB PRO A 21 4.721 -8.096 -5.916 1.00 0.00 C ATOM 271 CG PRO A 21 3.904 -7.614 -7.104 1.00 0.00 C ATOM 272 CD PRO A 21 3.441 -6.197 -6.807 1.00 0.00 C ATOM 0 HA PRO A 21 4.959 -7.075 -4.027 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.638 -8.586 -6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.163 -8.825 -5.329 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.503 -7.637 -8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.048 -8.268 -7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.752 -5.506 -7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.354 -6.140 -6.745 1.00 0.00 H new ATOM 280 N ASN A 22 6.627 -5.517 -6.304 1.00 0.00 N ATOM 281 CA ASN A 22 7.933 -4.958 -6.609 1.00 0.00 C ATOM 282 C ASN A 22 8.384 -4.066 -5.450 1.00 0.00 C ATOM 283 O ASN A 22 9.540 -4.119 -5.034 1.00 0.00 O ATOM 284 CB ASN A 22 7.884 -4.100 -7.875 1.00 0.00 C ATOM 285 CG ASN A 22 6.674 -3.164 -7.856 1.00 0.00 C ATOM 286 OD1 ASN A 22 6.718 -2.061 -7.337 1.00 0.00 O ATOM 287 ND2 ASN A 22 5.594 -3.664 -8.450 1.00 0.00 N ATOM 0 H ASN A 22 5.878 -5.214 -6.926 1.00 0.00 H new ATOM 0 HA ASN A 22 8.626 -5.785 -6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.800 -3.515 -7.958 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.837 -4.744 -8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.735 -3.116 -8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.625 -4.595 -8.865 1.00 0.00 H new ATOM 294 N MET A 23 7.446 -3.266 -4.962 1.00 0.00 N ATOM 295 CA MET A 23 7.732 -2.364 -3.860 1.00 0.00 C ATOM 296 C MET A 23 8.350 -3.117 -2.680 1.00 0.00 C ATOM 297 O MET A 23 8.442 -4.344 -2.702 1.00 0.00 O ATOM 298 CB MET A 23 6.438 -1.682 -3.410 1.00 0.00 C ATOM 299 CG MET A 23 5.963 -0.667 -4.450 1.00 0.00 C ATOM 300 SD MET A 23 6.984 0.796 -4.388 1.00 0.00 S ATOM 301 CE MET A 23 6.156 1.697 -3.088 1.00 0.00 C ATOM 0 H MET A 23 6.488 -3.224 -5.310 1.00 0.00 H new ATOM 0 HA MET A 23 8.447 -1.616 -4.203 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.664 -2.433 -3.249 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.600 -1.181 -2.455 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.005 -1.108 -5.446 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.922 -0.402 -4.263 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.646 2.660 -2.943 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.114 1.859 -3.364 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.201 1.124 -2.162 1.00 0.00 H new ATOM 311 N ASP A 24 8.757 -2.352 -1.678 1.00 0.00 N ATOM 312 CA ASP A 24 9.363 -2.932 -0.492 1.00 0.00 C ATOM 313 C ASP A 24 8.326 -2.985 0.632 1.00 0.00 C ATOM 314 O ASP A 24 7.653 -1.993 0.907 1.00 0.00 O ATOM 315 CB ASP A 24 10.543 -2.086 -0.007 1.00 0.00 C ATOM 316 CG ASP A 24 11.777 -2.883 0.421 1.00 0.00 C ATOM 317 OD1 ASP A 24 11.607 -4.094 0.683 1.00 0.00 O ATOM 318 OD2 ASP A 24 12.861 -2.264 0.477 1.00 0.00 O ATOM 0 H ASP A 24 8.679 -1.335 -1.663 1.00 0.00 H new ATOM 0 HA ASP A 24 9.716 -3.931 -0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.830 -1.400 -0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.213 -1.477 0.834 1.00 0.00 H new ATOM 323 N GLN A 25 8.230 -4.152 1.250 1.00 0.00 N ATOM 324 CA GLN A 25 7.286 -4.347 2.338 1.00 0.00 C ATOM 325 C GLN A 25 7.496 -3.286 3.420 1.00 0.00 C ATOM 326 O GLN A 25 6.578 -2.533 3.741 1.00 0.00 O ATOM 327 CB GLN A 25 7.407 -5.756 2.922 1.00 0.00 C ATOM 328 CG GLN A 25 6.736 -6.787 2.010 1.00 0.00 C ATOM 329 CD GLN A 25 5.875 -7.757 2.821 1.00 0.00 C ATOM 330 OE1 GLN A 25 5.356 -7.434 3.877 1.00 0.00 O ATOM 331 NE2 GLN A 25 5.752 -8.961 2.269 1.00 0.00 N ATOM 0 H GLN A 25 8.790 -4.973 1.019 1.00 0.00 H new ATOM 0 HA GLN A 25 6.277 -4.238 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.459 -6.010 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.947 -5.785 3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.118 -6.277 1.271 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.497 -7.342 1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.213 -9.165 1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.196 -9.680 2.732 1.00 0.00 H new ATOM 340 N GLU A 26 8.709 -3.260 3.951 1.00 0.00 N ATOM 341 CA GLU A 26 9.051 -2.303 4.990 1.00 0.00 C ATOM 342 C GLU A 26 8.427 -0.941 4.683 1.00 0.00 C ATOM 343 O GLU A 26 7.941 -0.259 5.584 1.00 0.00 O ATOM 344 CB GLU A 26 10.568 -2.187 5.151 1.00 0.00 C ATOM 345 CG GLU A 26 11.235 -1.830 3.821 1.00 0.00 C ATOM 346 CD GLU A 26 12.625 -2.461 3.718 1.00 0.00 C ATOM 347 OE1 GLU A 26 12.687 -3.628 3.274 1.00 0.00 O ATOM 348 OE2 GLU A 26 13.595 -1.762 4.084 1.00 0.00 O ATOM 0 H GLU A 26 9.468 -3.886 3.681 1.00 0.00 H new ATOM 0 HA GLU A 26 8.645 -2.662 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.801 -1.425 5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.971 -3.129 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.613 -2.174 2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.316 -0.747 3.730 1.00 0.00 H new ATOM 355 N VAL A 27 8.459 -0.584 3.407 1.00 0.00 N ATOM 356 CA VAL A 27 7.903 0.685 2.970 1.00 0.00 C ATOM 357 C VAL A 27 6.379 0.640 3.101 1.00 0.00 C ATOM 358 O VAL A 27 5.785 1.486 3.767 1.00 0.00 O ATOM 359 CB VAL A 27 8.372 1.000 1.548 1.00 0.00 C ATOM 360 CG1 VAL A 27 7.735 2.293 1.035 1.00 0.00 C ATOM 361 CG2 VAL A 27 9.898 1.074 1.478 1.00 0.00 C ATOM 0 H VAL A 27 8.862 -1.152 2.662 1.00 0.00 H new ATOM 0 HA VAL A 27 8.260 1.497 3.603 1.00 0.00 H new ATOM 0 HB VAL A 27 8.047 0.187 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.085 2.494 0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.650 2.187 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.016 3.120 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.205 1.299 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.255 1.858 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.323 0.117 1.782 1.00 0.00 H new ATOM 371 N ILE A 28 5.790 -0.355 2.454 1.00 0.00 N ATOM 372 CA ILE A 28 4.347 -0.521 2.490 1.00 0.00 C ATOM 373 C ILE A 28 3.851 -0.326 3.924 1.00 0.00 C ATOM 374 O ILE A 28 2.966 0.492 4.173 1.00 0.00 O ATOM 375 CB ILE A 28 3.947 -1.865 1.879 1.00 0.00 C ATOM 376 CG1 ILE A 28 4.023 -1.817 0.352 1.00 0.00 C ATOM 377 CG2 ILE A 28 2.565 -2.301 2.370 1.00 0.00 C ATOM 378 CD1 ILE A 28 4.289 -3.208 -0.228 1.00 0.00 C ATOM 0 H ILE A 28 6.286 -1.055 1.902 1.00 0.00 H new ATOM 0 HA ILE A 28 3.861 0.239 1.878 1.00 0.00 H new ATOM 0 HB ILE A 28 4.660 -2.618 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.089 -1.424 -0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.815 -1.134 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.305 -3.259 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.579 -2.401 3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.825 -1.553 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.338 -3.146 -1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.235 -3.588 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.483 -3.883 0.060 1.00 0.00 H new ATOM 390 N ARG A 29 4.443 -1.089 4.831 1.00 0.00 N ATOM 391 CA ARG A 29 4.073 -1.011 6.233 1.00 0.00 C ATOM 392 C ARG A 29 4.296 0.408 6.762 1.00 0.00 C ATOM 393 O ARG A 29 3.479 0.926 7.522 1.00 0.00 O ATOM 394 CB ARG A 29 4.887 -1.995 7.074 1.00 0.00 C ATOM 395 CG ARG A 29 5.039 -3.337 6.354 1.00 0.00 C ATOM 396 CD ARG A 29 5.211 -4.480 7.356 1.00 0.00 C ATOM 397 NE ARG A 29 5.690 -5.695 6.660 1.00 0.00 N ATOM 398 CZ ARG A 29 5.663 -6.925 7.191 1.00 0.00 C ATOM 399 NH1 ARG A 29 5.180 -7.111 8.427 1.00 0.00 N ATOM 400 NH2 ARG A 29 6.119 -7.970 6.485 1.00 0.00 N ATOM 0 H ARG A 29 5.177 -1.765 4.621 1.00 0.00 H new ATOM 0 HA ARG A 29 3.017 -1.271 6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.872 -1.575 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.398 -2.148 8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.163 -3.522 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.900 -3.300 5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.921 -4.191 8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.263 -4.685 7.852 1.00 0.00 H new ATOM 0 HE ARG A 29 6.064 -5.590 5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.833 -6.316 8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.160 -8.047 8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.486 -7.828 5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.099 -8.906 6.889 1.00 0.00 H new ATOM 414 N SER A 30 5.406 0.995 6.340 1.00 0.00 N ATOM 415 CA SER A 30 5.747 2.343 6.761 1.00 0.00 C ATOM 416 C SER A 30 4.641 3.316 6.347 1.00 0.00 C ATOM 417 O SER A 30 4.510 4.394 6.924 1.00 0.00 O ATOM 418 CB SER A 30 7.089 2.782 6.172 1.00 0.00 C ATOM 419 OG SER A 30 7.890 3.474 7.126 1.00 0.00 O ATOM 0 H SER A 30 6.081 0.561 5.710 1.00 0.00 H new ATOM 0 HA SER A 30 5.839 2.349 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.630 1.907 5.811 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.913 3.426 5.311 1.00 0.00 H new ATOM 0 HG SER A 30 8.739 3.736 6.712 1.00 0.00 H new ATOM 425 N VAL A 31 3.874 2.900 5.350 1.00 0.00 N ATOM 426 CA VAL A 31 2.785 3.722 4.851 1.00 0.00 C ATOM 427 C VAL A 31 1.504 3.382 5.617 1.00 0.00 C ATOM 428 O VAL A 31 0.858 4.267 6.176 1.00 0.00 O ATOM 429 CB VAL A 31 2.643 3.541 3.339 1.00 0.00 C ATOM 430 CG1 VAL A 31 1.414 4.284 2.811 1.00 0.00 C ATOM 431 CG2 VAL A 31 3.911 3.993 2.611 1.00 0.00 C ATOM 0 H VAL A 31 3.985 2.005 4.874 1.00 0.00 H new ATOM 0 HA VAL A 31 2.995 4.778 5.020 1.00 0.00 H new ATOM 0 HB VAL A 31 2.503 2.478 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.336 4.139 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.518 3.895 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.511 5.348 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.783 3.854 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.095 5.047 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.759 3.401 2.955 1.00 0.00 H new ATOM 441 N LEU A 32 1.176 2.099 5.617 1.00 0.00 N ATOM 442 CA LEU A 32 -0.016 1.631 6.304 1.00 0.00 C ATOM 443 C LEU A 32 -0.004 2.147 7.744 1.00 0.00 C ATOM 444 O LEU A 32 -1.024 2.616 8.248 1.00 0.00 O ATOM 445 CB LEU A 32 -0.134 0.109 6.197 1.00 0.00 C ATOM 446 CG LEU A 32 -1.308 -0.526 6.944 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.644 -0.008 6.407 1.00 0.00 C ATOM 448 CD2 LEU A 32 -1.226 -2.054 6.897 1.00 0.00 C ATOM 0 H LEU A 32 1.715 1.368 5.152 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.912 2.031 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.214 -0.156 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.790 -0.334 6.568 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.245 -0.232 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.462 -0.475 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.693 1.073 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.730 -0.253 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.072 -2.481 7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.250 -2.388 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.297 -2.383 7.362 1.00 0.00 H new ATOM 460 N GLU A 33 1.161 2.044 8.367 1.00 0.00 N ATOM 461 CA GLU A 33 1.319 2.494 9.739 1.00 0.00 C ATOM 462 C GLU A 33 1.308 4.023 9.800 1.00 0.00 C ATOM 463 O GLU A 33 0.947 4.604 10.822 1.00 0.00 O ATOM 464 CB GLU A 33 2.599 1.930 10.358 1.00 0.00 C ATOM 465 CG GLU A 33 2.305 0.670 11.174 1.00 0.00 C ATOM 466 CD GLU A 33 2.163 1.000 12.661 1.00 0.00 C ATOM 467 OE1 GLU A 33 1.122 1.595 13.013 1.00 0.00 O ATOM 468 OE2 GLU A 33 3.100 0.651 13.411 1.00 0.00 O ATOM 0 H GLU A 33 2.005 1.655 7.946 1.00 0.00 H new ATOM 0 HA GLU A 33 0.478 2.120 10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.316 1.698 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.060 2.683 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.388 0.204 10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.108 -0.054 11.034 1.00 0.00 H new ATOM 475 N ALA A 34 1.709 4.631 8.693 1.00 0.00 N ATOM 476 CA ALA A 34 1.750 6.081 8.608 1.00 0.00 C ATOM 477 C ALA A 34 0.395 6.597 8.120 1.00 0.00 C ATOM 478 O ALA A 34 0.168 7.805 8.072 1.00 0.00 O ATOM 479 CB ALA A 34 2.901 6.506 7.694 1.00 0.00 C ATOM 0 H ALA A 34 2.008 4.146 7.847 1.00 0.00 H new ATOM 0 HA ALA A 34 1.935 6.519 9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.932 7.594 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.843 6.139 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.749 6.088 6.699 1.00 0.00 H new ATOM 485 N GLN A 35 -0.469 5.656 7.768 1.00 0.00 N ATOM 486 CA GLN A 35 -1.795 6.001 7.285 1.00 0.00 C ATOM 487 C GLN A 35 -2.859 5.552 8.288 1.00 0.00 C ATOM 488 O GLN A 35 -4.022 5.375 7.928 1.00 0.00 O ATOM 489 CB GLN A 35 -2.051 5.392 5.905 1.00 0.00 C ATOM 490 CG GLN A 35 -1.100 5.981 4.861 1.00 0.00 C ATOM 491 CD GLN A 35 -1.547 7.383 4.441 1.00 0.00 C ATOM 492 OE1 GLN A 35 -2.686 7.615 4.070 1.00 0.00 O ATOM 493 NE2 GLN A 35 -0.589 8.303 4.520 1.00 0.00 N ATOM 0 H GLN A 35 -0.276 4.655 7.808 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.853 7.085 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.922 4.311 5.951 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.083 5.577 5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.090 6.024 5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.065 5.330 3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.344 8.042 4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.788 9.270 4.262 1.00 0.00 H new ATOM 502 N ARG A 36 -2.424 5.382 9.528 1.00 0.00 N ATOM 503 CA ARG A 36 -3.324 4.957 10.586 1.00 0.00 C ATOM 504 C ARG A 36 -3.867 3.557 10.291 1.00 0.00 C ATOM 505 O ARG A 36 -4.808 3.103 10.940 1.00 0.00 O ATOM 506 CB ARG A 36 -4.496 5.930 10.736 1.00 0.00 C ATOM 507 CG ARG A 36 -4.144 7.067 11.697 1.00 0.00 C ATOM 508 CD ARG A 36 -4.781 6.842 13.069 1.00 0.00 C ATOM 509 NE ARG A 36 -5.811 7.874 13.325 1.00 0.00 N ATOM 510 CZ ARG A 36 -6.351 8.113 14.528 1.00 0.00 C ATOM 511 NH1 ARG A 36 -5.964 7.397 15.592 1.00 0.00 N ATOM 512 NH2 ARG A 36 -7.280 9.069 14.666 1.00 0.00 N ATOM 0 H ARG A 36 -1.459 5.531 9.824 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.757 4.942 11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.759 6.341 9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.372 5.396 11.104 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.061 7.137 11.802 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.486 8.016 11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.230 5.850 13.112 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.016 6.880 13.845 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.129 8.438 12.537 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.257 6.669 15.487 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.376 7.580 16.507 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.575 9.614 13.856 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.692 9.252 15.581 1.00 0.00 H new ATOM 526 N GLY A 37 -3.252 2.913 9.310 1.00 0.00 N ATOM 527 CA GLY A 37 -3.661 1.575 8.921 1.00 0.00 C ATOM 528 C GLY A 37 -4.723 1.625 7.820 1.00 0.00 C ATOM 529 O GLY A 37 -5.660 0.828 7.819 1.00 0.00 O ATOM 0 H GLY A 37 -2.473 3.294 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.795 1.013 8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.055 1.045 9.788 1.00 0.00 H new ATOM 533 N ASN A 38 -4.540 2.568 6.908 1.00 0.00 N ATOM 534 CA ASN A 38 -5.470 2.733 5.804 1.00 0.00 C ATOM 535 C ASN A 38 -4.933 1.993 4.576 1.00 0.00 C ATOM 536 O ASN A 38 -3.723 1.927 4.367 1.00 0.00 O ATOM 537 CB ASN A 38 -5.630 4.208 5.434 1.00 0.00 C ATOM 538 CG ASN A 38 -7.068 4.678 5.663 1.00 0.00 C ATOM 539 OD1 ASN A 38 -8.010 4.196 5.057 1.00 0.00 O ATOM 540 ND2 ASN A 38 -7.183 5.643 6.571 1.00 0.00 N ATOM 0 H ASN A 38 -3.761 3.226 6.911 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.435 2.332 6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.947 4.812 6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.357 4.356 4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.102 6.024 6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.352 6.002 7.042 1.00 0.00 H new ATOM 547 N LYS A 39 -5.860 1.456 3.797 1.00 0.00 N ATOM 548 CA LYS A 39 -5.495 0.724 2.596 1.00 0.00 C ATOM 549 C LYS A 39 -5.502 1.678 1.400 1.00 0.00 C ATOM 550 O LYS A 39 -4.513 1.777 0.675 1.00 0.00 O ATOM 551 CB LYS A 39 -6.403 -0.495 2.415 1.00 0.00 C ATOM 552 CG LYS A 39 -5.768 -1.515 1.468 1.00 0.00 C ATOM 553 CD LYS A 39 -6.562 -2.823 1.459 1.00 0.00 C ATOM 554 CE LYS A 39 -7.748 -2.737 0.496 1.00 0.00 C ATOM 555 NZ LYS A 39 -8.906 -3.488 1.031 1.00 0.00 N ATOM 0 H LYS A 39 -6.863 1.513 3.974 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.483 0.329 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.591 -0.960 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.368 -0.179 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.726 -1.104 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.741 -1.711 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.910 -3.646 1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.921 -3.042 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.024 -1.694 0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.464 -3.139 -0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.702 -3.419 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.644 -4.487 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.186 -3.086 1.948 1.00 0.00 H new ATOM 569 N ASP A 40 -6.627 2.357 1.232 1.00 0.00 N ATOM 570 CA ASP A 40 -6.775 3.300 0.136 1.00 0.00 C ATOM 571 C ASP A 40 -5.792 4.457 0.329 1.00 0.00 C ATOM 572 O ASP A 40 -5.080 4.833 -0.601 1.00 0.00 O ATOM 573 CB ASP A 40 -8.189 3.883 0.099 1.00 0.00 C ATOM 574 CG ASP A 40 -9.169 3.144 -0.816 1.00 0.00 C ATOM 575 OD1 ASP A 40 -8.774 2.071 -1.321 1.00 0.00 O ATOM 576 OD2 ASP A 40 -10.290 3.669 -0.989 1.00 0.00 O ATOM 0 H ASP A 40 -7.445 2.273 1.836 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.579 2.769 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.592 3.885 1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.129 4.923 -0.222 1.00 0.00 H new ATOM 581 N ALA A 41 -5.785 4.990 1.542 1.00 0.00 N ATOM 582 CA ALA A 41 -4.902 6.097 1.868 1.00 0.00 C ATOM 583 C ALA A 41 -3.455 5.688 1.587 1.00 0.00 C ATOM 584 O ALA A 41 -2.666 6.488 1.086 1.00 0.00 O ATOM 585 CB ALA A 41 -5.119 6.511 3.325 1.00 0.00 C ATOM 0 H ALA A 41 -6.377 4.676 2.311 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.126 6.964 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.457 7.341 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.155 6.820 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.900 5.667 3.979 1.00 0.00 H new ATOM 591 N ALA A 42 -3.149 4.443 1.922 1.00 0.00 N ATOM 592 CA ALA A 42 -1.811 3.918 1.712 1.00 0.00 C ATOM 593 C ALA A 42 -1.547 3.792 0.210 1.00 0.00 C ATOM 594 O ALA A 42 -0.622 4.410 -0.315 1.00 0.00 O ATOM 595 CB ALA A 42 -1.665 2.582 2.443 1.00 0.00 C ATOM 0 H ALA A 42 -3.806 3.782 2.338 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.064 4.597 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.661 2.189 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.833 2.731 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.397 1.873 2.056 1.00 0.00 H new ATOM 601 N ILE A 43 -2.377 2.989 -0.439 1.00 0.00 N ATOM 602 CA ILE A 43 -2.244 2.774 -1.870 1.00 0.00 C ATOM 603 C ILE A 43 -1.930 4.105 -2.554 1.00 0.00 C ATOM 604 O ILE A 43 -0.912 4.233 -3.234 1.00 0.00 O ATOM 605 CB ILE A 43 -3.489 2.077 -2.424 1.00 0.00 C ATOM 606 CG1 ILE A 43 -3.572 0.630 -1.932 1.00 0.00 C ATOM 607 CG2 ILE A 43 -3.533 2.166 -3.951 1.00 0.00 C ATOM 608 CD1 ILE A 43 -4.911 -0.003 -2.314 1.00 0.00 C ATOM 0 H ILE A 43 -3.144 2.479 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.411 2.103 -2.079 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.369 2.597 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.756 0.049 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.448 0.603 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.427 1.663 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.555 3.213 -4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.648 1.686 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.944 -1.031 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.724 0.566 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.021 0.004 -3.398 1.00 0.00 H new ATOM 620 N ASN A 44 -2.822 5.064 -2.351 1.00 0.00 N ATOM 621 CA ASN A 44 -2.652 6.381 -2.940 1.00 0.00 C ATOM 622 C ASN A 44 -1.225 6.871 -2.682 1.00 0.00 C ATOM 623 O ASN A 44 -0.593 7.445 -3.566 1.00 0.00 O ATOM 624 CB ASN A 44 -3.618 7.392 -2.318 1.00 0.00 C ATOM 625 CG ASN A 44 -3.443 8.776 -2.946 1.00 0.00 C ATOM 626 OD1 ASN A 44 -3.334 8.930 -4.151 1.00 0.00 O ATOM 627 ND2 ASN A 44 -3.422 9.771 -2.064 1.00 0.00 N ATOM 0 H ASN A 44 -3.665 4.955 -1.787 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.853 6.300 -4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.644 7.053 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.445 7.452 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.309 10.733 -2.383 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.519 9.572 -1.068 1.00 0.00 H new ATOM 634 N SER A 45 -0.760 6.625 -1.466 1.00 0.00 N ATOM 635 CA SER A 45 0.580 7.033 -1.080 1.00 0.00 C ATOM 636 C SER A 45 1.618 6.260 -1.896 1.00 0.00 C ATOM 637 O SER A 45 2.433 6.859 -2.597 1.00 0.00 O ATOM 638 CB SER A 45 0.812 6.815 0.417 1.00 0.00 C ATOM 639 OG SER A 45 1.901 7.594 0.906 1.00 0.00 O ATOM 0 H SER A 45 -1.288 6.148 -0.735 1.00 0.00 H new ATOM 0 HA SER A 45 0.686 8.098 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.094 7.073 0.966 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.008 5.759 0.604 1.00 0.00 H new ATOM 0 HG SER A 45 2.741 7.252 0.534 1.00 0.00 H new ATOM 645 N LEU A 46 1.554 4.942 -1.779 1.00 0.00 N ATOM 646 CA LEU A 46 2.478 4.081 -2.497 1.00 0.00 C ATOM 647 C LEU A 46 2.448 4.437 -3.985 1.00 0.00 C ATOM 648 O LEU A 46 3.488 4.712 -4.582 1.00 0.00 O ATOM 649 CB LEU A 46 2.172 2.609 -2.211 1.00 0.00 C ATOM 650 CG LEU A 46 2.370 2.152 -0.765 1.00 0.00 C ATOM 651 CD1 LEU A 46 1.270 1.177 -0.342 1.00 0.00 C ATOM 652 CD2 LEU A 46 3.767 1.561 -0.563 1.00 0.00 C ATOM 0 H LEU A 46 0.876 4.449 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 46 3.498 4.244 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.138 2.411 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.803 1.996 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 46 2.293 3.026 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.435 0.868 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.299 1.666 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.291 0.301 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.882 1.244 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.898 0.702 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.518 2.315 -0.797 1.00 0.00 H new ATOM 664 N LEU A 47 1.246 4.421 -4.541 1.00 0.00 N ATOM 665 CA LEU A 47 1.067 4.739 -5.947 1.00 0.00 C ATOM 666 C LEU A 47 1.973 5.915 -6.319 1.00 0.00 C ATOM 667 O LEU A 47 2.853 5.781 -7.168 1.00 0.00 O ATOM 668 CB LEU A 47 -0.411 4.979 -6.259 1.00 0.00 C ATOM 669 CG LEU A 47 -1.067 3.977 -7.211 1.00 0.00 C ATOM 670 CD1 LEU A 47 -2.481 4.424 -7.588 1.00 0.00 C ATOM 671 CD2 LEU A 47 -0.194 3.739 -8.444 1.00 0.00 C ATOM 0 H LEU A 47 0.386 4.193 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 47 1.367 3.896 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.965 4.975 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.514 5.977 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.158 3.023 -6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.925 3.694 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.090 4.501 -6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.436 5.396 -8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.684 3.023 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.049 4.680 -8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.773 3.344 -8.134 1.00 0.00 H new ATOM 683 N GLN A 48 1.726 7.040 -5.665 1.00 0.00 N ATOM 684 CA GLN A 48 2.509 8.238 -5.916 1.00 0.00 C ATOM 685 C GLN A 48 4.003 7.927 -5.815 1.00 0.00 C ATOM 686 O GLN A 48 4.769 8.240 -6.726 1.00 0.00 O ATOM 687 CB GLN A 48 2.116 9.361 -4.953 1.00 0.00 C ATOM 688 CG GLN A 48 1.844 10.662 -5.710 1.00 0.00 C ATOM 689 CD GLN A 48 3.005 11.646 -5.546 1.00 0.00 C ATOM 690 OE1 GLN A 48 4.168 11.278 -5.547 1.00 0.00 O ATOM 691 NE2 GLN A 48 2.625 12.912 -5.405 1.00 0.00 N ATOM 0 H GLN A 48 0.995 7.147 -4.962 1.00 0.00 H new ATOM 0 HA GLN A 48 2.298 8.581 -6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.228 9.070 -4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.914 9.518 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.692 10.446 -6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.924 11.115 -5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.633 13.151 -5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.325 13.645 -5.288 1.00 0.00 H new ATOM 700 N MET A 49 4.374 7.316 -4.700 1.00 0.00 N ATOM 701 CA MET A 49 5.764 6.959 -4.468 1.00 0.00 C ATOM 702 C MET A 49 6.329 6.165 -5.647 1.00 0.00 C ATOM 703 O MET A 49 5.698 5.224 -6.127 1.00 0.00 O ATOM 704 CB MET A 49 5.870 6.123 -3.191 1.00 0.00 C ATOM 705 CG MET A 49 5.605 6.980 -1.952 1.00 0.00 C ATOM 706 SD MET A 49 4.887 5.979 -0.660 1.00 0.00 S ATOM 707 CE MET A 49 6.209 4.807 -0.404 1.00 0.00 C ATOM 0 H MET A 49 3.736 7.059 -3.947 1.00 0.00 H new ATOM 0 HA MET A 49 6.343 7.876 -4.361 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.155 5.302 -3.229 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.863 5.678 -3.124 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.536 7.427 -1.603 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.933 7.800 -2.204 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.172 4.434 0.620 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.096 3.974 -1.098 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.168 5.296 -0.577 1.00 0.00 H new ATOM 717 N GLY A 50 7.513 6.573 -6.081 1.00 0.00 N ATOM 718 CA GLY A 50 8.171 5.911 -7.194 1.00 0.00 C ATOM 719 C GLY A 50 8.600 6.923 -8.258 1.00 0.00 C ATOM 720 O GLY A 50 8.968 8.052 -7.934 1.00 0.00 O ATOM 0 H GLY A 50 8.033 7.354 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.043 5.366 -6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.497 5.177 -7.636 1.00 0.00 H new ATOM 724 N GLU A 51 8.538 6.484 -9.507 1.00 0.00 N ATOM 725 CA GLU A 51 8.916 7.338 -10.620 1.00 0.00 C ATOM 726 C GLU A 51 7.669 7.929 -11.282 1.00 0.00 C ATOM 727 O GLU A 51 6.970 7.241 -12.023 1.00 0.00 O ATOM 728 CB GLU A 51 9.764 6.571 -11.636 1.00 0.00 C ATOM 729 CG GLU A 51 11.112 6.170 -11.034 1.00 0.00 C ATOM 730 CD GLU A 51 12.057 5.634 -12.111 1.00 0.00 C ATOM 731 OE1 GLU A 51 11.702 4.597 -12.713 1.00 0.00 O ATOM 732 OE2 GLU A 51 13.112 6.273 -12.310 1.00 0.00 O ATOM 0 H GLU A 51 8.232 5.548 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 51 9.523 8.157 -10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.228 5.680 -11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.926 7.188 -12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.566 7.031 -10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.960 5.410 -10.268 1.00 0.00 H new ATOM 739 N GLU A 52 7.430 9.199 -10.989 1.00 0.00 N ATOM 740 CA GLU A 52 6.280 9.891 -11.547 1.00 0.00 C ATOM 741 C GLU A 52 6.368 9.922 -13.074 1.00 0.00 C ATOM 742 O GLU A 52 7.458 9.846 -13.638 1.00 0.00 O ATOM 743 CB GLU A 52 6.162 11.306 -10.976 1.00 0.00 C ATOM 744 CG GLU A 52 5.764 11.269 -9.499 1.00 0.00 C ATOM 745 CD GLU A 52 6.429 12.408 -8.724 1.00 0.00 C ATOM 746 OE1 GLU A 52 6.068 13.572 -9.003 1.00 0.00 O ATOM 747 OE2 GLU A 52 7.284 12.090 -7.869 1.00 0.00 O ATOM 0 H GLU A 52 8.012 9.766 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 52 5.380 9.344 -11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.113 11.828 -11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.421 11.870 -11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.681 11.347 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.052 10.312 -9.065 1.00 0.00 H new ATOM 754 N PRO A 53 5.174 10.036 -13.716 1.00 0.00 N ATOM 755 CA PRO A 53 5.106 10.078 -15.167 1.00 0.00 C ATOM 756 C PRO A 53 5.561 11.438 -15.698 1.00 0.00 C ATOM 757 O PRO A 53 5.156 12.478 -15.181 1.00 0.00 O ATOM 758 CB PRO A 53 3.657 9.764 -15.502 1.00 0.00 C ATOM 759 CG PRO A 53 2.870 10.016 -14.226 1.00 0.00 C ATOM 760 CD PRO A 53 3.863 10.128 -13.080 1.00 0.00 C ATOM 0 HA PRO A 53 5.775 9.360 -15.640 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.298 10.397 -16.314 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.547 8.731 -15.831 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.284 10.931 -14.314 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.167 9.203 -14.044 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.747 11.071 -12.546 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.719 9.330 -12.352 1.00 0.00 H new ATOM 768 N SER A 54 6.397 11.387 -16.725 1.00 0.00 N ATOM 769 CA SER A 54 6.912 12.603 -17.332 1.00 0.00 C ATOM 770 C SER A 54 7.357 13.583 -16.245 1.00 0.00 C ATOM 771 O SER A 54 6.549 14.354 -15.730 1.00 0.00 O ATOM 772 CB SER A 54 5.863 13.254 -18.236 1.00 0.00 C ATOM 773 OG SER A 54 6.235 13.199 -19.610 1.00 0.00 O ATOM 0 H SER A 54 6.730 10.523 -17.152 1.00 0.00 H new ATOM 0 HA SER A 54 7.771 12.340 -17.949 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.905 12.752 -18.099 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.724 14.294 -17.939 1.00 0.00 H new ATOM 0 HG SER A 54 5.539 13.623 -20.155 1.00 0.00 H new ATOM 779 N GLY A 55 8.642 13.521 -15.927 1.00 0.00 N ATOM 780 CA GLY A 55 9.205 14.393 -14.911 1.00 0.00 C ATOM 781 C GLY A 55 10.715 14.551 -15.098 1.00 0.00 C ATOM 782 O GLY A 55 11.362 13.698 -15.704 1.00 0.00 O ATOM 0 H GLY A 55 9.309 12.880 -16.356 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.725 15.370 -14.959 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.998 13.985 -13.922 1.00 0.00 H new ATOM 786 N PRO A 56 11.247 15.677 -14.553 1.00 0.00 N ATOM 787 CA PRO A 56 12.669 15.958 -14.654 1.00 0.00 C ATOM 788 C PRO A 56 13.472 15.074 -13.698 1.00 0.00 C ATOM 789 O PRO A 56 12.904 14.246 -12.987 1.00 0.00 O ATOM 790 CB PRO A 56 12.801 17.440 -14.345 1.00 0.00 C ATOM 791 CG PRO A 56 11.518 17.832 -13.630 1.00 0.00 C ATOM 792 CD PRO A 56 10.512 16.710 -13.828 1.00 0.00 C ATOM 0 HA PRO A 56 13.072 15.734 -15.641 1.00 0.00 H new ATOM 0 HB2 PRO A 56 13.672 17.632 -13.718 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.932 18.020 -15.259 1.00 0.00 H new ATOM 0 HG2 PRO A 56 11.706 17.993 -12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 56 11.129 18.768 -14.030 1.00 0.00 H new ATOM 0 HD2 PRO A 56 10.142 16.337 -12.873 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.645 17.051 -14.394 1.00 0.00 H new ATOM 800 N SER A 57 14.781 15.280 -13.711 1.00 0.00 N ATOM 801 CA SER A 57 15.668 14.512 -12.853 1.00 0.00 C ATOM 802 C SER A 57 15.818 15.208 -11.498 1.00 0.00 C ATOM 803 O SER A 57 16.186 16.380 -11.436 1.00 0.00 O ATOM 804 CB SER A 57 17.038 14.323 -13.507 1.00 0.00 C ATOM 805 OG SER A 57 17.691 15.566 -13.748 1.00 0.00 O ATOM 0 H SER A 57 15.249 15.967 -14.302 1.00 0.00 H new ATOM 0 HA SER A 57 15.228 13.526 -12.701 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.664 13.703 -12.865 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.919 13.787 -14.449 1.00 0.00 H new ATOM 0 HG SER A 57 17.337 16.245 -13.137 1.00 0.00 H new ATOM 811 N SER A 58 15.524 14.456 -10.448 1.00 0.00 N ATOM 812 CA SER A 58 15.621 14.985 -9.098 1.00 0.00 C ATOM 813 C SER A 58 16.853 14.409 -8.397 1.00 0.00 C ATOM 814 O SER A 58 16.834 13.268 -7.939 1.00 0.00 O ATOM 815 CB SER A 58 14.359 14.675 -8.292 1.00 0.00 C ATOM 816 OG SER A 58 14.489 15.059 -6.926 1.00 0.00 O ATOM 0 H SER A 58 15.218 13.484 -10.505 1.00 0.00 H new ATOM 0 HA SER A 58 15.721 16.069 -9.163 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.509 15.195 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.145 13.608 -8.350 1.00 0.00 H new ATOM 0 HG SER A 58 13.662 14.846 -6.446 1.00 0.00 H new ATOM 822 N GLY A 59 17.895 15.225 -8.336 1.00 0.00 N ATOM 823 CA GLY A 59 19.134 14.810 -7.699 1.00 0.00 C ATOM 824 C GLY A 59 19.824 13.709 -8.507 1.00 0.00 C ATOM 825 O GLY A 59 20.941 13.307 -8.186 1.00 0.00 O ATOM 0 H GLY A 59 17.907 16.171 -8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 59 19.801 15.666 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 59 18.926 14.451 -6.691 1.00 0.00 H new TER 829 GLY A 59