USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 1.17 K(o=1.2,f=-0.38) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ -169:sc= -0.012 (180deg=-0.144) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl -161:sc= -0.114 (180deg=-0.569) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.096 USER MOD Single : A 17 GLN : amide:sc= -0.0357 K(o=-0.036,f=-5.7!) USER MOD Single : A 19 ASN : amide:sc= -0.0471 X(o=-0.047,f=0) USER MOD Single : A 20 SER OG : rot 78:sc= 0.138 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0079) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -144:sc= 1.23 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.09) USER MOD Single : A 56 MET CE :methyl -162:sc= -0.148 (180deg=-0.589) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= -0.0536 (180deg=-0.404) USER MOD Single : A 61 SER OG : rot 54:sc= 0.108 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -0.0411 (180deg=-0.287) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -52.023 1.778 34.132 1.00 20.00 N ATOM 2 CA MET A -7 -52.411 2.946 33.308 1.00 20.00 C ATOM 3 C MET A -7 -51.482 3.096 32.113 1.00 20.00 C ATOM 4 O MET A -7 -50.727 4.063 32.015 1.00 20.00 O ATOM 5 CB MET A -7 -52.392 4.231 34.142 1.00 20.00 C ATOM 6 CG MET A -7 -53.540 4.344 35.130 1.00 20.00 C ATOM 7 SD MET A -7 -53.502 5.890 36.060 1.00 20.00 S ATOM 8 CE MET A -7 -51.963 5.709 36.962 1.00 20.00 C ATOM 0 H1 MET A -7 -52.670 1.694 34.942 1.00 20.00 H new ATOM 0 H2 MET A -7 -52.076 0.914 33.556 1.00 20.00 H new ATOM 0 H3 MET A -7 -51.050 1.905 34.478 1.00 20.00 H new ATOM 0 HA MET A -7 -53.425 2.776 32.947 1.00 20.00 H new ATOM 0 HB2 MET A -7 -51.450 4.284 34.688 1.00 20.00 H new ATOM 0 HB3 MET A -7 -52.419 5.089 33.470 1.00 20.00 H new ATOM 0 HG2 MET A -7 -54.486 4.270 34.593 1.00 20.00 H new ATOM 0 HG3 MET A -7 -53.501 3.505 35.825 1.00 20.00 H new ATOM 0 HE1 MET A -7 -51.957 6.392 37.811 1.00 20.00 H new ATOM 0 HE2 MET A -7 -51.870 4.684 37.320 1.00 20.00 H new ATOM 0 HE3 MET A -7 -51.126 5.941 36.304 1.00 20.00 H new ATOM 20 N ASP A -6 -51.536 2.137 31.205 1.00 20.00 N ATOM 21 CA ASP A -6 -50.740 2.189 29.990 1.00 20.00 C ATOM 22 C ASP A -6 -51.583 2.740 28.848 1.00 20.00 C ATOM 23 O ASP A -6 -52.807 2.590 28.842 1.00 20.00 O ATOM 24 CB ASP A -6 -50.209 0.799 29.627 1.00 20.00 C ATOM 25 CG ASP A -6 -51.314 -0.171 29.254 1.00 20.00 C ATOM 26 OD1 ASP A -6 -52.036 -0.638 30.161 1.00 20.00 O ATOM 27 OD2 ASP A -6 -51.466 -0.476 28.054 1.00 20.00 O ATOM 0 H ASP A -6 -52.126 1.309 31.287 1.00 20.00 H new ATOM 0 HA ASP A -6 -49.887 2.846 30.161 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -49.512 0.887 28.794 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -49.648 0.397 30.471 1.00 20.00 H new ATOM 32 N TYR A -5 -50.930 3.385 27.895 1.00 20.00 N ATOM 33 CA TYR A -5 -51.625 3.996 26.771 1.00 20.00 C ATOM 34 C TYR A -5 -50.913 3.679 25.465 1.00 20.00 C ATOM 35 O TYR A -5 -50.229 4.533 24.892 1.00 20.00 O ATOM 36 CB TYR A -5 -51.741 5.513 26.965 1.00 20.00 C ATOM 37 CG TYR A -5 -52.648 5.901 28.113 1.00 20.00 C ATOM 38 CD1 TYR A -5 -54.018 6.033 27.921 1.00 20.00 C ATOM 39 CD2 TYR A -5 -52.141 6.118 29.389 1.00 20.00 C ATOM 40 CE1 TYR A -5 -54.854 6.373 28.967 1.00 20.00 C ATOM 41 CE2 TYR A -5 -52.974 6.452 30.440 1.00 20.00 C ATOM 42 CZ TYR A -5 -54.328 6.580 30.223 1.00 20.00 C ATOM 43 OH TYR A -5 -55.161 6.904 31.269 1.00 20.00 O ATOM 0 H TYR A -5 -49.917 3.500 27.877 1.00 20.00 H new ATOM 0 HA TYR A -5 -52.631 3.579 26.725 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -50.748 5.927 27.139 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -52.117 5.962 26.046 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -54.436 5.867 26.939 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -51.079 6.024 29.562 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -55.916 6.476 28.800 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -52.565 6.612 31.427 1.00 20.00 H new ATOM 0 HH TYR A -5 -54.632 7.015 32.086 1.00 20.00 H new ATOM 53 N LYS A -4 -51.075 2.430 25.024 1.00 20.00 N ATOM 54 CA LYS A -4 -50.507 1.935 23.766 1.00 20.00 C ATOM 55 C LYS A -4 -48.991 1.767 23.863 1.00 20.00 C ATOM 56 O LYS A -4 -48.311 2.495 24.589 1.00 20.00 O ATOM 57 CB LYS A -4 -50.866 2.858 22.593 1.00 20.00 C ATOM 58 CG LYS A -4 -52.366 3.028 22.377 1.00 20.00 C ATOM 59 CD LYS A -4 -53.048 1.701 22.072 1.00 20.00 C ATOM 60 CE LYS A -4 -54.540 1.881 21.832 1.00 20.00 C ATOM 61 NZ LYS A -4 -55.244 2.399 23.037 1.00 20.00 N ATOM 0 H LYS A -4 -51.609 1.726 25.534 1.00 20.00 H new ATOM 0 HA LYS A -4 -50.945 0.955 23.580 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -50.420 3.838 22.765 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -50.420 2.461 21.681 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -52.813 3.470 23.267 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -52.538 3.723 21.555 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -52.589 1.249 21.193 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -52.893 1.012 22.902 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -54.692 2.569 21.000 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -54.977 0.926 21.540 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -56.272 2.331 22.895 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -54.971 1.835 23.867 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -54.981 3.393 23.192 1.00 20.00 H new ATOM 75 N ASP A -3 -48.472 0.791 23.131 1.00 20.00 N ATOM 76 CA ASP A -3 -47.039 0.518 23.124 1.00 20.00 C ATOM 77 C ASP A -3 -46.324 1.496 22.205 1.00 20.00 C ATOM 78 O ASP A -3 -46.206 1.268 20.997 1.00 20.00 O ATOM 79 CB ASP A -3 -46.750 -0.925 22.691 1.00 20.00 C ATOM 80 CG ASP A -3 -45.261 -1.229 22.625 1.00 20.00 C ATOM 81 OD1 ASP A -3 -44.625 -1.359 23.692 1.00 20.00 O ATOM 82 OD2 ASP A -3 -44.718 -1.343 21.504 1.00 20.00 O ATOM 0 H ASP A -3 -49.021 0.174 22.533 1.00 20.00 H new ATOM 0 HA ASP A -3 -46.666 0.645 24.140 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -47.227 -1.612 23.390 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -47.197 -1.103 21.713 1.00 20.00 H new ATOM 87 N ASP A -2 -45.886 2.604 22.775 1.00 20.00 N ATOM 88 CA ASP A -2 -45.123 3.597 22.036 1.00 20.00 C ATOM 89 C ASP A -2 -43.640 3.304 22.161 1.00 20.00 C ATOM 90 O ASP A -2 -42.958 3.072 21.160 1.00 20.00 O ATOM 91 CB ASP A -2 -45.425 5.005 22.552 1.00 20.00 C ATOM 92 CG ASP A -2 -44.485 6.042 21.971 1.00 20.00 C ATOM 93 OD1 ASP A -2 -44.674 6.441 20.802 1.00 20.00 O ATOM 94 OD2 ASP A -2 -43.549 6.466 22.682 1.00 20.00 O ATOM 0 H ASP A -2 -46.046 2.841 23.754 1.00 20.00 H new ATOM 0 HA ASP A -2 -45.412 3.547 20.986 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -46.453 5.269 22.303 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -45.348 5.016 23.639 1.00 20.00 H new ATOM 99 N ASP A -1 -43.166 3.290 23.406 1.00 20.00 N ATOM 100 CA ASP A -1 -41.759 3.036 23.720 1.00 20.00 C ATOM 101 C ASP A -1 -40.858 4.069 23.046 1.00 20.00 C ATOM 102 O ASP A -1 -40.424 3.893 21.908 1.00 20.00 O ATOM 103 CB ASP A -1 -41.357 1.617 23.314 1.00 20.00 C ATOM 104 CG ASP A -1 -39.981 1.243 23.819 1.00 20.00 C ATOM 105 OD1 ASP A -1 -39.757 1.310 25.048 1.00 20.00 O ATOM 106 OD2 ASP A -1 -39.129 0.854 22.998 1.00 20.00 O ATOM 0 H ASP A -1 -43.747 3.455 24.228 1.00 20.00 H new ATOM 0 HA ASP A -1 -41.632 3.127 24.799 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -42.089 0.909 23.703 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -41.378 1.533 22.227 1.00 20.00 H new ATOM 111 N ASP A 0 -40.582 5.142 23.775 1.00 20.00 N ATOM 112 CA ASP A 0 -39.847 6.297 23.255 1.00 20.00 C ATOM 113 C ASP A 0 -38.486 5.920 22.667 1.00 20.00 C ATOM 114 O ASP A 0 -38.039 6.521 21.689 1.00 20.00 O ATOM 115 CB ASP A 0 -39.661 7.330 24.371 1.00 20.00 C ATOM 116 CG ASP A 0 -38.866 8.544 23.930 1.00 20.00 C ATOM 117 OD1 ASP A 0 -37.622 8.517 24.033 1.00 20.00 O ATOM 118 OD2 ASP A 0 -39.480 9.538 23.490 1.00 20.00 O ATOM 0 H ASP A 0 -40.862 5.240 24.751 1.00 20.00 H new ATOM 0 HA ASP A 0 -40.439 6.717 22.442 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -40.640 7.653 24.726 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -39.156 6.859 25.214 1.00 20.00 H new ATOM 123 N LYS A 1 -37.847 4.913 23.244 1.00 20.00 N ATOM 124 CA LYS A 1 -36.488 4.536 22.854 1.00 20.00 C ATOM 125 C LYS A 1 -36.434 3.851 21.484 1.00 20.00 C ATOM 126 O LYS A 1 -35.360 3.436 21.039 1.00 20.00 O ATOM 127 CB LYS A 1 -35.852 3.631 23.915 1.00 20.00 C ATOM 128 CG LYS A 1 -36.498 2.258 24.034 1.00 20.00 C ATOM 129 CD LYS A 1 -35.858 1.443 25.142 1.00 20.00 C ATOM 130 CE LYS A 1 -36.545 0.099 25.317 1.00 20.00 C ATOM 131 NZ LYS A 1 -35.945 -0.684 26.427 1.00 20.00 N ATOM 0 H LYS A 1 -38.246 4.338 23.986 1.00 20.00 H new ATOM 0 HA LYS A 1 -35.919 5.463 22.777 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -34.795 3.504 23.681 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -35.906 4.131 24.882 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -37.564 2.371 24.232 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -36.404 1.726 23.087 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -34.803 1.286 24.916 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -35.904 2.000 26.078 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -37.606 0.255 25.514 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -36.473 -0.470 24.390 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -36.439 -1.595 26.516 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -34.939 -0.855 26.227 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -36.036 -0.152 27.316 1.00 20.00 H new ATOM 145 N ASN A 2 -37.582 3.709 20.824 1.00 20.00 N ATOM 146 CA ASN A 2 -37.612 3.145 19.476 1.00 20.00 C ATOM 147 C ASN A 2 -36.794 4.028 18.534 1.00 20.00 C ATOM 148 O ASN A 2 -36.740 5.248 18.705 1.00 20.00 O ATOM 149 CB ASN A 2 -39.054 2.992 18.956 1.00 20.00 C ATOM 150 CG ASN A 2 -39.694 4.304 18.528 1.00 20.00 C ATOM 151 OD1 ASN A 2 -39.590 4.710 17.372 1.00 20.00 O ATOM 152 ND2 ASN A 2 -40.388 4.957 19.446 1.00 20.00 N ATOM 0 H ASN A 2 -38.494 3.973 21.196 1.00 20.00 H new ATOM 0 HA ASN A 2 -37.173 2.148 19.512 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -39.054 2.305 18.110 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -39.665 2.537 19.736 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -40.860 5.829 19.205 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -40.451 4.589 20.395 1.00 20.00 H new ATOM 159 N ARG A 3 -36.150 3.415 17.552 1.00 20.00 N ATOM 160 CA ARG A 3 -35.207 4.128 16.696 1.00 20.00 C ATOM 161 C ARG A 3 -35.912 4.910 15.589 1.00 20.00 C ATOM 162 O ARG A 3 -35.873 4.526 14.422 1.00 20.00 O ATOM 163 CB ARG A 3 -34.196 3.153 16.084 1.00 20.00 C ATOM 164 CG ARG A 3 -33.251 2.520 17.095 1.00 20.00 C ATOM 165 CD ARG A 3 -32.289 1.555 16.423 1.00 20.00 C ATOM 166 NE ARG A 3 -31.384 0.923 17.381 1.00 20.00 N ATOM 167 CZ ARG A 3 -30.362 0.138 17.042 1.00 20.00 C ATOM 168 NH1 ARG A 3 -30.100 -0.106 15.764 1.00 20.00 N ATOM 169 NH2 ARG A 3 -29.598 -0.403 17.984 1.00 20.00 N ATOM 0 H ARG A 3 -36.261 2.427 17.326 1.00 20.00 H new ATOM 0 HA ARG A 3 -34.682 4.846 17.326 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -34.738 2.362 15.565 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -33.607 3.681 15.334 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -32.688 3.300 17.608 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -33.828 1.992 17.854 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -32.856 0.786 15.899 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -31.706 2.089 15.672 1.00 20.00 H new ATOM 0 HE ARG A 3 -31.545 1.094 18.374 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -30.682 0.308 15.036 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -29.316 -0.708 15.510 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -29.793 -0.218 18.968 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -28.816 -1.004 17.724 1.00 20.00 H new ATOM 183 N ALA A 4 -36.556 6.006 15.965 1.00 20.00 N ATOM 184 CA ALA A 4 -37.171 6.907 14.999 1.00 20.00 C ATOM 185 C ALA A 4 -36.784 8.349 15.302 1.00 20.00 C ATOM 186 O ALA A 4 -37.450 9.294 14.870 1.00 20.00 O ATOM 187 CB ALA A 4 -38.683 6.750 15.014 1.00 20.00 C ATOM 0 H ALA A 4 -36.667 6.294 16.937 1.00 20.00 H new ATOM 0 HA ALA A 4 -36.807 6.650 14.004 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -39.127 7.430 14.287 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -38.945 5.723 14.758 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -39.063 6.984 16.008 1.00 20.00 H new ATOM 193 N LEU A 5 -35.693 8.513 16.036 1.00 20.00 N ATOM 194 CA LEU A 5 -35.254 9.830 16.471 1.00 20.00 C ATOM 195 C LEU A 5 -34.362 10.470 15.414 1.00 20.00 C ATOM 196 O LEU A 5 -33.133 10.408 15.493 1.00 20.00 O ATOM 197 CB LEU A 5 -34.511 9.729 17.811 1.00 20.00 C ATOM 198 CG LEU A 5 -34.122 11.065 18.465 1.00 20.00 C ATOM 199 CD1 LEU A 5 -35.356 11.885 18.814 1.00 20.00 C ATOM 200 CD2 LEU A 5 -33.282 10.823 19.712 1.00 20.00 C ATOM 0 H LEU A 5 -35.094 7.747 16.344 1.00 20.00 H new ATOM 0 HA LEU A 5 -36.132 10.461 16.608 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -35.136 9.173 18.510 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -33.604 9.144 17.658 1.00 20.00 H new ATOM 0 HG LEU A 5 -33.530 11.630 17.745 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -35.050 12.824 19.275 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -35.923 12.094 17.907 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -35.980 11.325 19.511 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -33.015 11.779 20.162 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -33.854 10.232 20.427 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -32.374 10.284 19.440 1.00 20.00 H new ATOM 212 N SER A 6 -34.987 11.065 14.410 1.00 20.00 N ATOM 213 CA SER A 6 -34.262 11.778 13.369 1.00 20.00 C ATOM 214 C SER A 6 -34.978 13.086 13.008 1.00 20.00 C ATOM 215 O SER A 6 -35.416 13.272 11.871 1.00 20.00 O ATOM 216 CB SER A 6 -34.122 10.889 12.130 1.00 20.00 C ATOM 217 OG SER A 6 -33.543 9.638 12.465 1.00 20.00 O ATOM 0 H SER A 6 -36.000 11.068 14.294 1.00 20.00 H new ATOM 0 HA SER A 6 -33.269 12.026 13.743 1.00 20.00 H new ATOM 0 HB2 SER A 6 -35.102 10.731 11.679 1.00 20.00 H new ATOM 0 HB3 SER A 6 -33.505 11.392 11.385 1.00 20.00 H new ATOM 0 HG SER A 6 -33.465 9.087 11.658 1.00 20.00 H new ATOM 223 N PRO A 7 -35.117 14.006 13.979 1.00 20.00 N ATOM 224 CA PRO A 7 -35.810 15.276 13.775 1.00 20.00 C ATOM 225 C PRO A 7 -34.923 16.316 13.091 1.00 20.00 C ATOM 226 O PRO A 7 -35.101 16.617 11.910 1.00 20.00 O ATOM 227 CB PRO A 7 -36.181 15.728 15.202 1.00 20.00 C ATOM 228 CG PRO A 7 -35.629 14.687 16.130 1.00 20.00 C ATOM 229 CD PRO A 7 -34.621 13.892 15.348 1.00 20.00 C ATOM 0 HA PRO A 7 -36.674 15.165 13.120 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -35.758 16.708 15.422 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -37.262 15.815 15.314 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -35.163 15.153 16.999 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -36.424 14.041 16.502 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -33.616 14.300 15.450 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -34.579 12.854 15.679 1.00 20.00 H new ATOM 237 N MET A 8 -33.964 16.859 13.833 1.00 20.00 N ATOM 238 CA MET A 8 -33.043 17.846 13.284 1.00 20.00 C ATOM 239 C MET A 8 -31.800 17.155 12.748 1.00 20.00 C ATOM 240 O MET A 8 -31.246 17.548 11.717 1.00 20.00 O ATOM 241 CB MET A 8 -32.641 18.890 14.334 1.00 20.00 C ATOM 242 CG MET A 8 -33.781 19.791 14.793 1.00 20.00 C ATOM 243 SD MET A 8 -34.982 18.942 15.837 1.00 20.00 S ATOM 244 CE MET A 8 -36.161 20.258 16.123 1.00 20.00 C ATOM 0 H MET A 8 -33.805 16.632 14.815 1.00 20.00 H new ATOM 0 HA MET A 8 -33.556 18.363 12.473 1.00 20.00 H new ATOM 0 HB2 MET A 8 -32.229 18.375 15.202 1.00 20.00 H new ATOM 0 HB3 MET A 8 -31.845 19.512 13.925 1.00 20.00 H new ATOM 0 HG2 MET A 8 -33.368 20.638 15.341 1.00 20.00 H new ATOM 0 HG3 MET A 8 -34.291 20.195 13.918 1.00 20.00 H new ATOM 0 HE1 MET A 8 -36.969 19.891 16.755 1.00 20.00 H new ATOM 0 HE2 MET A 8 -35.663 21.092 16.618 1.00 20.00 H new ATOM 0 HE3 MET A 8 -36.570 20.594 15.170 1.00 20.00 H new ATOM 254 N VAL A 9 -31.361 16.127 13.456 1.00 20.00 N ATOM 255 CA VAL A 9 -30.229 15.337 13.013 1.00 20.00 C ATOM 256 C VAL A 9 -30.667 14.354 11.937 1.00 20.00 C ATOM 257 O VAL A 9 -31.698 13.687 12.065 1.00 20.00 O ATOM 258 CB VAL A 9 -29.546 14.577 14.178 1.00 20.00 C ATOM 259 CG1 VAL A 9 -28.985 15.556 15.199 1.00 20.00 C ATOM 260 CG2 VAL A 9 -30.505 13.600 14.847 1.00 20.00 C ATOM 0 H VAL A 9 -31.772 15.822 14.338 1.00 20.00 H new ATOM 0 HA VAL A 9 -29.494 16.029 12.603 1.00 20.00 H new ATOM 0 HB VAL A 9 -28.723 13.999 13.758 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -28.509 15.004 16.009 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -28.249 16.201 14.719 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -29.794 16.166 15.601 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -29.992 13.085 15.659 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -31.360 14.145 15.246 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -30.850 12.870 14.115 1.00 20.00 H new ATOM 270 N SER A 10 -29.905 14.296 10.864 1.00 20.00 N ATOM 271 CA SER A 10 -30.204 13.395 9.771 1.00 20.00 C ATOM 272 C SER A 10 -28.934 12.673 9.348 1.00 20.00 C ATOM 273 O SER A 10 -28.340 12.972 8.308 1.00 20.00 O ATOM 274 CB SER A 10 -30.815 14.162 8.594 1.00 20.00 C ATOM 275 OG SER A 10 -31.263 13.281 7.577 1.00 20.00 O ATOM 0 H SER A 10 -29.070 14.865 10.726 1.00 20.00 H new ATOM 0 HA SER A 10 -30.935 12.658 10.102 1.00 20.00 H new ATOM 0 HB2 SER A 10 -31.650 14.767 8.947 1.00 20.00 H new ATOM 0 HB3 SER A 10 -30.075 14.849 8.182 1.00 20.00 H new ATOM 0 HG SER A 10 -31.649 13.800 6.841 1.00 20.00 H new ATOM 281 N GLU A 11 -28.511 11.738 10.181 1.00 20.00 N ATOM 282 CA GLU A 11 -27.311 10.965 9.920 1.00 20.00 C ATOM 283 C GLU A 11 -27.628 9.809 8.989 1.00 20.00 C ATOM 284 O GLU A 11 -28.768 9.346 8.929 1.00 20.00 O ATOM 285 CB GLU A 11 -26.720 10.436 11.230 1.00 20.00 C ATOM 286 CG GLU A 11 -26.365 11.531 12.220 1.00 20.00 C ATOM 287 CD GLU A 11 -25.434 12.566 11.627 1.00 20.00 C ATOM 288 OE1 GLU A 11 -24.209 12.318 11.588 1.00 20.00 O ATOM 289 OE2 GLU A 11 -25.919 13.628 11.188 1.00 20.00 O ATOM 0 H GLU A 11 -28.986 11.495 11.050 1.00 20.00 H new ATOM 0 HA GLU A 11 -26.577 11.614 9.443 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -27.435 9.756 11.693 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -25.825 9.855 11.007 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -27.278 12.020 12.560 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -25.897 11.086 13.098 1.00 20.00 H new ATOM 296 N PHE A 12 -26.627 9.351 8.261 1.00 20.00 N ATOM 297 CA PHE A 12 -26.805 8.234 7.351 1.00 20.00 C ATOM 298 C PHE A 12 -26.385 6.938 8.028 1.00 20.00 C ATOM 299 O PHE A 12 -25.532 6.200 7.528 1.00 20.00 O ATOM 300 CB PHE A 12 -26.017 8.453 6.061 1.00 20.00 C ATOM 301 CG PHE A 12 -26.418 9.706 5.328 1.00 20.00 C ATOM 302 CD1 PHE A 12 -27.675 9.812 4.749 1.00 20.00 C ATOM 303 CD2 PHE A 12 -25.545 10.778 5.224 1.00 20.00 C ATOM 304 CE1 PHE A 12 -28.052 10.962 4.084 1.00 20.00 C ATOM 305 CE2 PHE A 12 -25.920 11.930 4.559 1.00 20.00 C ATOM 306 CZ PHE A 12 -27.174 12.021 3.989 1.00 20.00 C ATOM 0 H PHE A 12 -25.682 9.735 8.282 1.00 20.00 H new ATOM 0 HA PHE A 12 -27.861 8.164 7.089 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -24.954 8.501 6.296 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -26.160 7.594 5.405 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -28.366 8.985 4.819 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -24.562 10.712 5.667 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -29.033 11.032 3.639 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -25.232 12.759 4.485 1.00 20.00 H new ATOM 0 HZ PHE A 12 -27.467 12.921 3.469 1.00 20.00 H new ATOM 316 N GLU A 13 -26.985 6.683 9.181 1.00 20.00 N ATOM 317 CA GLU A 13 -26.729 5.468 9.941 1.00 20.00 C ATOM 318 C GLU A 13 -27.445 4.290 9.290 1.00 20.00 C ATOM 319 O GLU A 13 -26.978 3.151 9.342 1.00 20.00 O ATOM 320 CB GLU A 13 -27.200 5.652 11.388 1.00 20.00 C ATOM 321 CG GLU A 13 -26.969 4.443 12.279 1.00 20.00 C ATOM 322 CD GLU A 13 -27.561 4.629 13.659 1.00 20.00 C ATOM 323 OE1 GLU A 13 -26.928 5.299 14.499 1.00 20.00 O ATOM 324 OE2 GLU A 13 -28.672 4.111 13.910 1.00 20.00 O ATOM 0 H GLU A 13 -27.662 7.311 9.616 1.00 20.00 H new ATOM 0 HA GLU A 13 -25.658 5.264 9.947 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -26.685 6.510 11.819 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -28.264 5.888 11.384 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -27.408 3.561 11.813 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -25.898 4.258 12.367 1.00 20.00 H new ATOM 331 N THR A 14 -28.578 4.578 8.674 1.00 20.00 N ATOM 332 CA THR A 14 -29.347 3.575 7.968 1.00 20.00 C ATOM 333 C THR A 14 -28.773 3.342 6.577 1.00 20.00 C ATOM 334 O THR A 14 -29.068 4.077 5.632 1.00 20.00 O ATOM 335 CB THR A 14 -30.823 3.996 7.871 1.00 20.00 C ATOM 336 OG1 THR A 14 -30.910 5.422 7.729 1.00 20.00 O ATOM 337 CG2 THR A 14 -31.597 3.556 9.104 1.00 20.00 C ATOM 0 H THR A 14 -28.988 5.512 8.650 1.00 20.00 H new ATOM 0 HA THR A 14 -29.288 2.642 8.529 1.00 20.00 H new ATOM 0 HB THR A 14 -31.262 3.512 6.999 1.00 20.00 H new ATOM 0 HG1 THR A 14 -31.851 5.688 7.666 1.00 20.00 H new ATOM 0 HG21 THR A 14 -32.638 3.866 9.010 1.00 20.00 H new ATOM 0 HG22 THR A 14 -31.548 2.471 9.196 1.00 20.00 H new ATOM 0 HG23 THR A 14 -31.160 4.015 9.991 1.00 20.00 H new ATOM 345 N ILE A 15 -27.930 2.332 6.467 1.00 20.00 N ATOM 346 CA ILE A 15 -27.284 2.003 5.212 1.00 20.00 C ATOM 347 C ILE A 15 -28.078 0.932 4.477 1.00 20.00 C ATOM 348 O ILE A 15 -28.187 -0.206 4.941 1.00 20.00 O ATOM 349 CB ILE A 15 -25.841 1.507 5.440 1.00 20.00 C ATOM 350 CG1 ILE A 15 -25.037 2.542 6.233 1.00 20.00 C ATOM 351 CG2 ILE A 15 -25.163 1.216 4.111 1.00 20.00 C ATOM 352 CD1 ILE A 15 -23.605 2.130 6.496 1.00 20.00 C ATOM 0 H ILE A 15 -27.675 1.720 7.242 1.00 20.00 H new ATOM 0 HA ILE A 15 -27.248 2.910 4.609 1.00 20.00 H new ATOM 0 HB ILE A 15 -25.882 0.584 6.018 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -25.040 3.486 5.688 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -25.534 2.723 7.186 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -24.146 0.867 4.290 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -25.722 0.447 3.578 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -25.134 2.125 3.510 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -23.099 2.912 7.062 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -23.593 1.203 7.068 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -23.090 1.978 5.547 1.00 20.00 H new ATOM 364 N GLU A 16 -28.628 1.295 3.325 1.00 20.00 N ATOM 365 CA GLU A 16 -29.442 0.375 2.544 1.00 20.00 C ATOM 366 C GLU A 16 -28.581 -0.761 1.999 1.00 20.00 C ATOM 367 O GLU A 16 -29.038 -1.897 1.871 1.00 20.00 O ATOM 368 CB GLU A 16 -30.144 1.123 1.408 1.00 20.00 C ATOM 369 CG GLU A 16 -31.103 0.261 0.602 1.00 20.00 C ATOM 370 CD GLU A 16 -31.960 1.080 -0.335 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.450 1.521 -1.384 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.152 1.289 -0.024 1.00 20.00 O ATOM 0 H GLU A 16 -28.524 2.222 2.911 1.00 20.00 H new ATOM 0 HA GLU A 16 -30.206 -0.057 3.191 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.693 1.966 1.827 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -29.390 1.535 0.737 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.535 -0.470 0.026 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.745 -0.299 1.283 1.00 20.00 H new ATOM 379 N GLN A 17 -27.320 -0.447 1.712 1.00 20.00 N ATOM 380 CA GLN A 17 -26.359 -1.448 1.262 1.00 20.00 C ATOM 381 C GLN A 17 -26.148 -2.506 2.340 1.00 20.00 C ATOM 382 O GLN A 17 -25.836 -3.655 2.040 1.00 20.00 O ATOM 383 CB GLN A 17 -25.009 -0.808 0.910 1.00 20.00 C ATOM 384 CG GLN A 17 -25.020 0.093 -0.320 1.00 20.00 C ATOM 385 CD GLN A 17 -25.815 1.370 -0.127 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.942 1.875 0.987 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.342 1.907 -1.215 1.00 20.00 N ATOM 0 H GLN A 17 -26.940 0.497 1.784 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.768 -1.915 0.366 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -24.667 -0.225 1.765 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.278 -1.602 0.753 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.994 0.349 -0.582 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.435 -0.460 -1.162 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.213 1.456 -2.120 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.877 2.773 -1.148 1.00 20.00 H new ATOM 396 N GLU A 18 -26.323 -2.103 3.593 1.00 20.00 N ATOM 397 CA GLU A 18 -26.179 -3.012 4.723 1.00 20.00 C ATOM 398 C GLU A 18 -27.438 -3.849 4.886 1.00 20.00 C ATOM 399 O GLU A 18 -27.367 -5.059 5.105 1.00 20.00 O ATOM 400 CB GLU A 18 -25.899 -2.227 6.009 1.00 20.00 C ATOM 401 CG GLU A 18 -25.915 -3.085 7.264 1.00 20.00 C ATOM 402 CD GLU A 18 -25.708 -2.275 8.522 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.688 -1.689 9.025 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.567 -2.227 9.021 1.00 20.00 O ATOM 0 H GLU A 18 -26.566 -1.147 3.853 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.336 -3.675 4.529 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -24.927 -1.742 5.924 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.642 -1.436 6.111 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.867 -3.612 7.328 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.135 -3.843 7.192 1.00 20.00 H new ATOM 411 N ASN A 19 -28.589 -3.196 4.765 1.00 20.00 N ATOM 412 CA ASN A 19 -29.875 -3.877 4.879 1.00 20.00 C ATOM 413 C ASN A 19 -29.966 -5.020 3.873 1.00 20.00 C ATOM 414 O ASN A 19 -30.352 -6.136 4.219 1.00 20.00 O ATOM 415 CB ASN A 19 -31.027 -2.887 4.666 1.00 20.00 C ATOM 416 CG ASN A 19 -32.392 -3.553 4.708 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.992 -3.696 5.775 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.897 -3.954 3.550 1.00 20.00 N ATOM 0 H ASN A 19 -28.658 -2.194 4.588 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.956 -4.293 5.883 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.982 -2.114 5.433 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.900 -2.390 3.704 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.814 -4.399 3.520 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.368 -3.817 2.688 1.00 20.00 H new ATOM 425 N SER A 20 -29.571 -4.744 2.638 1.00 20.00 N ATOM 426 CA SER A 20 -29.636 -5.738 1.577 1.00 20.00 C ATOM 427 C SER A 20 -28.438 -6.689 1.635 1.00 20.00 C ATOM 428 O SER A 20 -28.436 -7.746 1.001 1.00 20.00 O ATOM 429 CB SER A 20 -29.692 -5.032 0.221 1.00 20.00 C ATOM 430 OG SER A 20 -30.681 -4.014 0.225 1.00 20.00 O ATOM 0 H SER A 20 -29.202 -3.839 2.346 1.00 20.00 H new ATOM 0 HA SER A 20 -30.538 -6.335 1.713 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.719 -4.599 -0.009 1.00 20.00 H new ATOM 0 HB3 SER A 20 -29.912 -5.757 -0.563 1.00 20.00 H new ATOM 0 HG SER A 20 -30.339 -3.228 0.700 1.00 20.00 H new ATOM 436 N TYR A 21 -27.428 -6.327 2.423 1.00 20.00 N ATOM 437 CA TYR A 21 -26.202 -7.114 2.503 1.00 20.00 C ATOM 438 C TYR A 21 -26.432 -8.401 3.282 1.00 20.00 C ATOM 439 O TYR A 21 -25.630 -9.331 3.207 1.00 20.00 O ATOM 440 CB TYR A 21 -25.070 -6.312 3.148 1.00 20.00 C ATOM 441 CG TYR A 21 -23.703 -6.930 2.945 1.00 20.00 C ATOM 442 CD1 TYR A 21 -23.092 -6.898 1.697 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.030 -7.552 3.989 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.851 -7.466 1.496 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.787 -8.124 3.793 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.202 -8.080 2.545 1.00 20.00 C ATOM 447 OH TYR A 21 -19.963 -8.650 2.346 1.00 20.00 O ATOM 0 H TYR A 21 -27.435 -5.495 3.014 1.00 20.00 H new ATOM 0 HA TYR A 21 -25.910 -7.367 1.484 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -25.069 -5.303 2.736 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.264 -6.220 4.217 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -23.597 -6.420 0.871 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.485 -7.589 4.968 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -21.390 -7.430 0.520 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.276 -8.604 4.614 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.643 -9.040 3.186 1.00 20.00 H new ATOM 457 N ASN A 22 -27.525 -8.448 4.038 1.00 20.00 N ATOM 458 CA ASN A 22 -27.881 -9.650 4.789 1.00 20.00 C ATOM 459 C ASN A 22 -27.948 -10.861 3.868 1.00 20.00 C ATOM 460 O ASN A 22 -27.628 -11.975 4.275 1.00 20.00 O ATOM 461 CB ASN A 22 -29.212 -9.480 5.527 1.00 20.00 C ATOM 462 CG ASN A 22 -29.099 -8.571 6.736 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.730 -9.013 7.826 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.442 -7.304 6.566 1.00 20.00 N ATOM 0 H ASN A 22 -28.178 -7.672 4.147 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.100 -9.811 5.532 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.954 -9.074 4.840 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.574 -10.458 5.845 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.406 -6.656 7.353 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.742 -6.976 5.648 1.00 20.00 H new ATOM 471 N GLU A 23 -28.333 -10.630 2.617 1.00 20.00 N ATOM 472 CA GLU A 23 -28.401 -11.695 1.627 1.00 20.00 C ATOM 473 C GLU A 23 -27.012 -12.259 1.331 1.00 20.00 C ATOM 474 O GLU A 23 -26.856 -13.459 1.107 1.00 20.00 O ATOM 475 CB GLU A 23 -29.047 -11.192 0.338 1.00 20.00 C ATOM 476 CG GLU A 23 -30.522 -10.864 0.487 1.00 20.00 C ATOM 477 CD GLU A 23 -31.159 -10.462 -0.822 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.385 -11.346 -1.674 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.424 -9.259 -1.016 1.00 20.00 O ATOM 0 H GLU A 23 -28.603 -9.711 2.266 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.016 -12.494 2.040 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.517 -10.302 -0.001 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.928 -11.948 -0.438 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -31.045 -11.731 0.891 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.640 -10.056 1.209 1.00 20.00 H new ATOM 486 N TRP A 24 -26.008 -11.393 1.338 1.00 20.00 N ATOM 487 CA TRP A 24 -24.631 -11.825 1.128 1.00 20.00 C ATOM 488 C TRP A 24 -24.088 -12.493 2.383 1.00 20.00 C ATOM 489 O TRP A 24 -23.259 -13.397 2.309 1.00 20.00 O ATOM 490 CB TRP A 24 -23.736 -10.649 0.729 1.00 20.00 C ATOM 491 CG TRP A 24 -24.050 -10.101 -0.626 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.820 -9.012 -0.911 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.605 -10.621 -1.884 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.876 -8.818 -2.268 1.00 20.00 N ATOM 495 CE2 TRP A 24 -24.139 -9.792 -2.889 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.804 -11.704 -2.260 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.900 -10.015 -4.242 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.567 -11.924 -3.603 1.00 20.00 C ATOM 499 CH2 TRP A 24 -23.113 -11.082 -4.581 1.00 20.00 C ATOM 0 H TRP A 24 -26.119 -10.390 1.486 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.628 -12.547 0.311 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.841 -9.855 1.468 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.695 -10.970 0.751 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -25.313 -8.393 -0.176 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -25.384 -8.069 -2.739 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.378 -12.357 -1.513 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -24.321 -9.369 -4.998 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.951 -12.758 -3.904 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.909 -11.279 -5.623 1.00 20.00 H new ATOM 510 N LEU A 25 -24.572 -12.047 3.538 1.00 20.00 N ATOM 511 CA LEU A 25 -24.200 -12.654 4.810 1.00 20.00 C ATOM 512 C LEU A 25 -24.716 -14.086 4.874 1.00 20.00 C ATOM 513 O LEU A 25 -24.043 -14.978 5.392 1.00 20.00 O ATOM 514 CB LEU A 25 -24.747 -11.839 5.987 1.00 20.00 C ATOM 515 CG LEU A 25 -24.135 -10.444 6.162 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.819 -9.697 7.296 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.637 -10.540 6.425 1.00 20.00 C ATOM 0 H LEU A 25 -25.223 -11.266 3.619 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.112 -12.663 4.882 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.825 -11.731 5.863 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.587 -12.405 6.905 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.289 -9.890 5.236 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -24.370 -8.710 7.404 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.881 -9.591 7.073 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -24.697 -10.254 8.225 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.224 -9.539 6.546 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.463 -11.116 7.334 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -22.151 -11.034 5.584 1.00 20.00 H new ATOM 529 N ARG A 26 -25.903 -14.299 4.316 1.00 20.00 N ATOM 530 CA ARG A 26 -26.502 -15.628 4.253 1.00 20.00 C ATOM 531 C ARG A 26 -25.651 -16.561 3.397 1.00 20.00 C ATOM 532 O ARG A 26 -25.529 -17.748 3.689 1.00 20.00 O ATOM 533 CB ARG A 26 -27.922 -15.550 3.682 1.00 20.00 C ATOM 534 CG ARG A 26 -28.893 -14.757 4.542 1.00 20.00 C ATOM 535 CD ARG A 26 -29.151 -15.440 5.877 1.00 20.00 C ATOM 536 NE ARG A 26 -29.819 -16.729 5.710 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.694 -17.754 6.553 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.899 -17.660 7.612 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.368 -18.874 6.331 1.00 20.00 N ATOM 0 H ARG A 26 -26.473 -13.563 3.898 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.550 -16.026 5.266 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.879 -15.099 2.691 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.308 -16.562 3.556 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.493 -13.758 4.716 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.835 -14.634 4.008 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -28.205 -15.586 6.399 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.764 -14.792 6.504 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.420 -16.852 4.895 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.379 -16.800 7.785 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.808 -18.448 8.253 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.979 -18.949 5.518 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -30.275 -19.661 6.973 1.00 20.00 H new ATOM 553 N ALA A 27 -25.051 -16.011 2.349 1.00 20.00 N ATOM 554 CA ALA A 27 -24.227 -16.795 1.440 1.00 20.00 C ATOM 555 C ALA A 27 -22.830 -17.015 2.011 1.00 20.00 C ATOM 556 O ALA A 27 -22.134 -17.960 1.637 1.00 20.00 O ATOM 557 CB ALA A 27 -24.141 -16.106 0.089 1.00 20.00 C ATOM 0 H ALA A 27 -25.120 -15.022 2.108 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.695 -17.771 1.314 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.523 -16.700 -0.584 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.141 -16.005 -0.332 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.697 -15.118 0.212 1.00 20.00 H new ATOM 563 N LYS A 28 -22.440 -16.155 2.943 1.00 20.00 N ATOM 564 CA LYS A 28 -21.097 -16.187 3.516 1.00 20.00 C ATOM 565 C LYS A 28 -20.908 -17.402 4.427 1.00 20.00 C ATOM 566 O LYS A 28 -19.780 -17.756 4.776 1.00 20.00 O ATOM 567 CB LYS A 28 -20.823 -14.885 4.288 1.00 20.00 C ATOM 568 CG LYS A 28 -19.434 -14.800 4.917 1.00 20.00 C ATOM 569 CD LYS A 28 -18.326 -14.862 3.869 1.00 20.00 C ATOM 570 CE LYS A 28 -18.425 -13.720 2.864 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.361 -13.799 1.831 1.00 20.00 N ATOM 0 H LYS A 28 -23.038 -15.421 3.322 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.381 -16.273 2.699 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.953 -14.042 3.610 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.571 -14.780 5.074 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.348 -13.871 5.481 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.307 -15.617 5.627 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -17.356 -14.825 4.365 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.379 -15.814 3.342 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.402 -13.744 2.382 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.352 -12.767 3.388 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.463 -13.005 1.167 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.428 -13.750 2.289 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.446 -14.697 1.313 1.00 20.00 H new ATOM 585 N VAL A 29 -22.010 -18.051 4.794 1.00 20.00 N ATOM 586 CA VAL A 29 -21.950 -19.219 5.666 1.00 20.00 C ATOM 587 C VAL A 29 -21.045 -20.305 5.076 1.00 20.00 C ATOM 588 O VAL A 29 -20.275 -20.942 5.800 1.00 20.00 O ATOM 589 CB VAL A 29 -23.359 -19.797 5.951 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.011 -20.336 4.685 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.290 -20.872 7.024 1.00 20.00 C ATOM 0 H VAL A 29 -22.951 -17.789 4.502 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.524 -18.886 6.612 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.983 -18.982 6.318 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.997 -20.733 4.924 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.111 -19.532 3.956 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -23.392 -21.130 4.267 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.289 -21.265 7.210 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.639 -21.679 6.689 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.892 -20.443 7.944 1.00 20.00 H new ATOM 601 N ALA A 30 -21.118 -20.482 3.755 1.00 20.00 N ATOM 602 CA ALA A 30 -20.309 -21.482 3.059 1.00 20.00 C ATOM 603 C ALA A 30 -20.555 -21.465 1.549 1.00 20.00 C ATOM 604 O ALA A 30 -19.996 -22.283 0.815 1.00 20.00 O ATOM 605 CB ALA A 30 -20.600 -22.872 3.603 1.00 20.00 C ATOM 0 H ALA A 30 -21.732 -19.943 3.145 1.00 20.00 H new ATOM 0 HA ALA A 30 -19.264 -21.229 3.236 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -19.990 -23.605 3.075 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -20.364 -22.903 4.667 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -21.655 -23.106 3.458 1.00 20.00 H new ATOM 611 N THR A 31 -21.394 -20.531 1.093 1.00 20.00 N ATOM 612 CA THR A 31 -21.822 -20.480 -0.307 1.00 20.00 C ATOM 613 C THR A 31 -22.492 -21.804 -0.701 1.00 20.00 C ATOM 614 O THR A 31 -22.482 -22.220 -1.859 1.00 20.00 O ATOM 615 CB THR A 31 -20.630 -20.168 -1.242 1.00 20.00 C ATOM 616 OG1 THR A 31 -19.852 -19.101 -0.680 1.00 20.00 O ATOM 617 CG2 THR A 31 -21.103 -19.755 -2.629 1.00 20.00 C ATOM 0 H THR A 31 -21.792 -19.796 1.677 1.00 20.00 H new ATOM 0 HA THR A 31 -22.548 -19.674 -0.417 1.00 20.00 H new ATOM 0 HB THR A 31 -20.030 -21.073 -1.337 1.00 20.00 H new ATOM 0 HG1 THR A 31 -19.095 -18.902 -1.270 1.00 20.00 H new ATOM 0 HG21 THR A 31 -20.240 -19.543 -3.260 1.00 20.00 H new ATOM 0 HG22 THR A 31 -21.685 -20.564 -3.071 1.00 20.00 H new ATOM 0 HG23 THR A 31 -21.723 -18.862 -2.551 1.00 20.00 H new ATOM 625 N SER A 32 -23.080 -22.451 0.296 1.00 20.00 N ATOM 626 CA SER A 32 -23.726 -23.739 0.126 1.00 20.00 C ATOM 627 C SER A 32 -24.527 -24.052 1.383 1.00 20.00 C ATOM 628 O SER A 32 -24.202 -23.558 2.467 1.00 20.00 O ATOM 629 CB SER A 32 -22.673 -24.823 -0.139 1.00 20.00 C ATOM 630 OG SER A 32 -23.258 -26.108 -0.254 1.00 20.00 O ATOM 0 H SER A 32 -23.121 -22.092 1.250 1.00 20.00 H new ATOM 0 HA SER A 32 -24.400 -23.712 -0.730 1.00 20.00 H new ATOM 0 HB2 SER A 32 -22.131 -24.587 -1.055 1.00 20.00 H new ATOM 0 HB3 SER A 32 -21.944 -24.827 0.671 1.00 20.00 H new ATOM 0 HG SER A 32 -22.659 -26.776 0.139 1.00 20.00 H new ATOM 636 N LEU A 33 -25.574 -24.849 1.241 1.00 20.00 N ATOM 637 CA LEU A 33 -26.458 -25.144 2.359 1.00 20.00 C ATOM 638 C LEU A 33 -26.167 -26.526 2.928 1.00 20.00 C ATOM 639 O LEU A 33 -26.293 -27.531 2.225 1.00 20.00 O ATOM 640 CB LEU A 33 -27.938 -25.063 1.939 1.00 20.00 C ATOM 641 CG LEU A 33 -28.474 -23.669 1.557 1.00 20.00 C ATOM 642 CD1 LEU A 33 -28.151 -22.639 2.633 1.00 20.00 C ATOM 643 CD2 LEU A 33 -27.935 -23.218 0.205 1.00 20.00 C ATOM 0 H LEU A 33 -25.833 -25.303 0.365 1.00 20.00 H new ATOM 0 HA LEU A 33 -26.271 -24.393 3.127 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -28.088 -25.730 1.090 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -28.546 -25.449 2.758 1.00 20.00 H new ATOM 0 HG LEU A 33 -29.558 -23.749 1.478 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -28.542 -21.666 2.335 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -28.609 -22.941 3.575 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -27.071 -22.572 2.760 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -28.332 -22.232 -0.034 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -26.847 -23.171 0.244 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -28.240 -23.928 -0.564 1.00 20.00 H new ATOM 655 N ALA A 34 -25.775 -26.554 4.199 1.00 20.00 N ATOM 656 CA ALA A 34 -25.541 -27.797 4.932 1.00 20.00 C ATOM 657 C ALA A 34 -24.541 -28.704 4.220 1.00 20.00 C ATOM 658 O ALA A 34 -24.880 -29.811 3.792 1.00 20.00 O ATOM 659 CB ALA A 34 -26.856 -28.525 5.170 1.00 20.00 C ATOM 0 H ALA A 34 -25.610 -25.713 4.752 1.00 20.00 H new ATOM 0 HA ALA A 34 -25.103 -27.533 5.895 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -26.667 -29.449 5.717 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -27.524 -27.889 5.752 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -27.321 -28.759 4.212 1.00 20.00 H new ATOM 665 N ASP A 35 -23.312 -28.229 4.093 1.00 20.00 N ATOM 666 CA ASP A 35 -22.240 -29.030 3.515 1.00 20.00 C ATOM 667 C ASP A 35 -21.853 -30.141 4.479 1.00 20.00 C ATOM 668 O ASP A 35 -21.476 -29.874 5.624 1.00 20.00 O ATOM 669 CB ASP A 35 -21.007 -28.173 3.214 1.00 20.00 C ATOM 670 CG ASP A 35 -21.244 -27.157 2.120 1.00 20.00 C ATOM 671 OD1 ASP A 35 -21.381 -27.561 0.945 1.00 20.00 O ATOM 672 OD2 ASP A 35 -21.274 -25.947 2.427 1.00 20.00 O ATOM 0 H ASP A 35 -23.030 -27.292 4.382 1.00 20.00 H new ATOM 0 HA ASP A 35 -22.604 -29.455 2.579 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -20.701 -27.655 4.123 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -20.181 -28.823 2.925 1.00 20.00 H new ATOM 677 N PRO A 36 -21.955 -31.407 4.031 1.00 20.00 N ATOM 678 CA PRO A 36 -21.633 -32.573 4.859 1.00 20.00 C ATOM 679 C PRO A 36 -20.197 -32.543 5.362 1.00 20.00 C ATOM 680 O PRO A 36 -19.925 -32.981 6.480 1.00 20.00 O ATOM 681 CB PRO A 36 -21.844 -33.766 3.919 1.00 20.00 C ATOM 682 CG PRO A 36 -22.736 -33.256 2.842 1.00 20.00 C ATOM 683 CD PRO A 36 -22.401 -31.802 2.683 1.00 20.00 C ATOM 0 HA PRO A 36 -22.253 -32.612 5.755 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -20.897 -34.120 3.512 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -22.299 -34.606 4.444 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -22.573 -33.798 1.911 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -23.785 -33.388 3.108 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -21.619 -31.648 1.940 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -23.266 -31.223 2.360 1.00 20.00 H new ATOM 691 N ARG A 37 -19.296 -32.011 4.531 1.00 20.00 N ATOM 692 CA ARG A 37 -17.879 -31.867 4.877 1.00 20.00 C ATOM 693 C ARG A 37 -17.314 -33.164 5.461 1.00 20.00 C ATOM 694 O ARG A 37 -17.201 -33.312 6.679 1.00 20.00 O ATOM 695 CB ARG A 37 -17.692 -30.696 5.855 1.00 20.00 C ATOM 696 CG ARG A 37 -16.246 -30.416 6.263 1.00 20.00 C ATOM 697 CD ARG A 37 -15.328 -30.219 5.062 1.00 20.00 C ATOM 698 NE ARG A 37 -14.723 -31.479 4.621 1.00 20.00 N ATOM 699 CZ ARG A 37 -14.368 -31.749 3.365 1.00 20.00 C ATOM 700 NH1 ARG A 37 -14.586 -30.867 2.395 1.00 20.00 N ATOM 701 NH2 ARG A 37 -13.794 -32.909 3.082 1.00 20.00 N ATOM 0 H ARG A 37 -19.529 -31.668 3.599 1.00 20.00 H new ATOM 0 HA ARG A 37 -17.323 -31.652 3.964 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -18.106 -29.795 5.402 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -18.274 -30.897 6.754 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -16.215 -29.525 6.890 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -15.876 -31.244 6.867 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -15.895 -29.782 4.240 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -14.541 -29.510 5.319 1.00 20.00 H new ATOM 0 HE ARG A 37 -14.562 -32.200 5.325 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -15.029 -29.973 2.608 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -14.310 -31.084 1.437 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -13.626 -33.589 3.823 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -13.520 -33.122 2.123 1.00 20.00 H new ATOM 715 N PRO A 38 -16.966 -34.129 4.595 1.00 20.00 N ATOM 716 CA PRO A 38 -16.397 -35.404 5.031 1.00 20.00 C ATOM 717 C PRO A 38 -15.112 -35.209 5.828 1.00 20.00 C ATOM 718 O PRO A 38 -14.198 -34.500 5.392 1.00 20.00 O ATOM 719 CB PRO A 38 -16.118 -36.161 3.725 1.00 20.00 C ATOM 720 CG PRO A 38 -16.173 -35.134 2.646 1.00 20.00 C ATOM 721 CD PRO A 38 -17.100 -34.057 3.132 1.00 20.00 C ATOM 0 HA PRO A 38 -17.072 -35.942 5.696 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -15.143 -36.647 3.754 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -16.859 -36.943 3.560 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -15.181 -34.730 2.443 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -16.537 -35.568 1.715 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -16.814 -33.077 2.750 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -18.127 -34.236 2.813 1.00 20.00 H new ATOM 729 N ALA A 39 -15.063 -35.817 7.006 1.00 20.00 N ATOM 730 CA ALA A 39 -13.909 -35.712 7.883 1.00 20.00 C ATOM 731 C ALA A 39 -12.685 -36.349 7.246 1.00 20.00 C ATOM 732 O ALA A 39 -12.754 -37.465 6.726 1.00 20.00 O ATOM 733 CB ALA A 39 -14.204 -36.362 9.225 1.00 20.00 C ATOM 0 H ALA A 39 -15.818 -36.393 7.377 1.00 20.00 H new ATOM 0 HA ALA A 39 -13.699 -34.655 8.044 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -13.330 -36.275 9.871 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -15.052 -35.862 9.693 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -14.441 -37.415 9.075 1.00 20.00 H new ATOM 739 N ILE A 40 -11.575 -35.636 7.284 1.00 20.00 N ATOM 740 CA ILE A 40 -10.337 -36.117 6.695 1.00 20.00 C ATOM 741 C ILE A 40 -9.456 -36.769 7.749 1.00 20.00 C ATOM 742 O ILE A 40 -9.442 -36.346 8.906 1.00 20.00 O ATOM 743 CB ILE A 40 -9.555 -34.978 6.007 1.00 20.00 C ATOM 744 CG1 ILE A 40 -9.339 -33.805 6.968 1.00 20.00 C ATOM 745 CG2 ILE A 40 -10.289 -34.528 4.756 1.00 20.00 C ATOM 746 CD1 ILE A 40 -8.522 -32.677 6.379 1.00 20.00 C ATOM 0 H ILE A 40 -11.504 -34.716 7.719 1.00 20.00 H new ATOM 0 HA ILE A 40 -10.607 -36.856 5.941 1.00 20.00 H new ATOM 0 HB ILE A 40 -8.573 -35.353 5.719 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -10.310 -33.416 7.276 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -8.842 -34.170 7.867 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -9.731 -33.724 4.276 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -10.381 -35.367 4.067 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -11.282 -34.169 5.026 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -8.412 -31.883 7.118 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -7.537 -33.050 6.097 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -9.027 -32.284 5.497 1.00 20.00 H new ATOM 758 N PRO A 41 -8.726 -37.826 7.361 1.00 20.00 N ATOM 759 CA PRO A 41 -7.795 -38.521 8.255 1.00 20.00 C ATOM 760 C PRO A 41 -6.645 -37.611 8.674 1.00 20.00 C ATOM 761 O PRO A 41 -6.321 -36.639 7.987 1.00 20.00 O ATOM 762 CB PRO A 41 -7.271 -39.687 7.407 1.00 20.00 C ATOM 763 CG PRO A 41 -7.530 -39.291 5.995 1.00 20.00 C ATOM 764 CD PRO A 41 -8.759 -38.425 6.017 1.00 20.00 C ATOM 0 HA PRO A 41 -8.274 -38.844 9.179 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -6.208 -39.853 7.581 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -7.784 -40.616 7.656 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -6.680 -38.749 5.581 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -7.684 -40.169 5.367 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -8.729 -37.665 5.237 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -9.666 -39.009 5.859 1.00 20.00 H new ATOM 772 N HIS A 42 -6.014 -37.951 9.795 1.00 20.00 N ATOM 773 CA HIS A 42 -4.991 -37.096 10.395 1.00 20.00 C ATOM 774 C HIS A 42 -3.753 -36.992 9.514 1.00 20.00 C ATOM 775 O HIS A 42 -2.932 -36.098 9.696 1.00 20.00 O ATOM 776 CB HIS A 42 -4.607 -37.603 11.789 1.00 20.00 C ATOM 777 CG HIS A 42 -5.697 -37.434 12.806 1.00 20.00 C ATOM 778 ND1 HIS A 42 -5.869 -36.284 13.543 1.00 20.00 N ATOM 779 CD2 HIS A 42 -6.680 -38.278 13.198 1.00 20.00 C ATOM 780 CE1 HIS A 42 -6.908 -36.426 14.343 1.00 20.00 C ATOM 781 NE2 HIS A 42 -7.419 -37.627 14.154 1.00 20.00 N ATOM 0 H HIS A 42 -6.193 -38.814 10.308 1.00 20.00 H new ATOM 0 HA HIS A 42 -5.419 -36.098 10.488 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -4.342 -38.658 11.723 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -3.718 -37.072 12.129 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -6.851 -39.278 12.827 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -7.278 -35.684 15.036 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -8.231 -38.010 14.639 1.00 20.00 H new ATOM 790 N ASP A 43 -3.626 -37.905 8.557 1.00 20.00 N ATOM 791 CA ASP A 43 -2.535 -37.851 7.587 1.00 20.00 C ATOM 792 C ASP A 43 -2.684 -36.626 6.689 1.00 20.00 C ATOM 793 O ASP A 43 -1.699 -35.967 6.350 1.00 20.00 O ATOM 794 CB ASP A 43 -2.493 -39.129 6.743 1.00 20.00 C ATOM 795 CG ASP A 43 -1.456 -39.067 5.637 1.00 20.00 C ATOM 796 OD1 ASP A 43 -0.252 -39.208 5.927 1.00 20.00 O ATOM 797 OD2 ASP A 43 -1.841 -38.875 4.466 1.00 20.00 O ATOM 0 H ASP A 43 -4.264 -38.691 8.431 1.00 20.00 H new ATOM 0 HA ASP A 43 -1.595 -37.772 8.134 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -2.278 -39.980 7.390 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -3.476 -39.302 6.305 1.00 20.00 H new ATOM 802 N GLU A 44 -3.927 -36.313 6.334 1.00 20.00 N ATOM 803 CA GLU A 44 -4.222 -35.146 5.509 1.00 20.00 C ATOM 804 C GLU A 44 -3.948 -33.873 6.292 1.00 20.00 C ATOM 805 O GLU A 44 -3.346 -32.929 5.781 1.00 20.00 O ATOM 806 CB GLU A 44 -5.685 -35.157 5.050 1.00 20.00 C ATOM 807 CG GLU A 44 -6.026 -36.273 4.075 1.00 20.00 C ATOM 808 CD GLU A 44 -5.284 -36.148 2.762 1.00 20.00 C ATOM 809 OE1 GLU A 44 -5.698 -35.331 1.915 1.00 20.00 O ATOM 810 OE2 GLU A 44 -4.282 -36.866 2.569 1.00 20.00 O ATOM 0 H GLU A 44 -4.748 -36.853 6.606 1.00 20.00 H new ATOM 0 HA GLU A 44 -3.579 -35.181 4.630 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -6.328 -35.246 5.926 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -5.914 -34.199 4.583 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -5.789 -37.234 4.532 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -7.099 -36.267 3.883 1.00 20.00 H new ATOM 817 N VAL A 45 -4.381 -33.870 7.544 1.00 20.00 N ATOM 818 CA VAL A 45 -4.202 -32.721 8.421 1.00 20.00 C ATOM 819 C VAL A 45 -2.721 -32.484 8.697 1.00 20.00 C ATOM 820 O VAL A 45 -2.246 -31.347 8.667 1.00 20.00 O ATOM 821 CB VAL A 45 -4.950 -32.914 9.758 1.00 20.00 C ATOM 822 CG1 VAL A 45 -4.820 -31.682 10.641 1.00 20.00 C ATOM 823 CG2 VAL A 45 -6.415 -33.242 9.508 1.00 20.00 C ATOM 0 H VAL A 45 -4.863 -34.657 7.979 1.00 20.00 H new ATOM 0 HA VAL A 45 -4.619 -31.852 7.912 1.00 20.00 H new ATOM 0 HB VAL A 45 -4.492 -33.753 10.282 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -5.356 -31.846 11.576 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -3.767 -31.497 10.854 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -5.243 -30.819 10.126 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -6.926 -33.375 10.462 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -6.882 -32.426 8.957 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -6.488 -34.161 8.926 1.00 20.00 H new ATOM 833 N GLU A 46 -1.995 -33.567 8.944 1.00 20.00 N ATOM 834 CA GLU A 46 -0.568 -33.485 9.228 1.00 20.00 C ATOM 835 C GLU A 46 0.182 -32.888 8.040 1.00 20.00 C ATOM 836 O GLU A 46 1.064 -32.043 8.214 1.00 20.00 O ATOM 837 CB GLU A 46 0.000 -34.867 9.570 1.00 20.00 C ATOM 838 CG GLU A 46 1.361 -34.817 10.246 1.00 20.00 C ATOM 839 CD GLU A 46 1.311 -34.131 11.597 1.00 20.00 C ATOM 840 OE1 GLU A 46 1.059 -34.818 12.609 1.00 20.00 O ATOM 841 OE2 GLU A 46 1.532 -32.904 11.656 1.00 20.00 O ATOM 0 H GLU A 46 -2.372 -34.515 8.953 1.00 20.00 H new ATOM 0 HA GLU A 46 -0.433 -32.833 10.091 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -0.701 -35.387 10.222 1.00 20.00 H new ATOM 0 HB3 GLU A 46 0.080 -35.454 8.655 1.00 20.00 H new ATOM 0 HG2 GLU A 46 1.739 -35.832 10.371 1.00 20.00 H new ATOM 0 HG3 GLU A 46 2.065 -34.292 9.601 1.00 20.00 H new ATOM 848 N ARG A 47 -0.175 -33.315 6.828 1.00 20.00 N ATOM 849 CA ARG A 47 0.436 -32.756 5.628 1.00 20.00 C ATOM 850 C ARG A 47 0.029 -31.300 5.463 1.00 20.00 C ATOM 851 O ARG A 47 0.853 -30.454 5.114 1.00 20.00 O ATOM 852 CB ARG A 47 0.049 -33.535 4.365 1.00 20.00 C ATOM 853 CG ARG A 47 0.604 -32.898 3.096 1.00 20.00 C ATOM 854 CD ARG A 47 0.198 -33.635 1.831 1.00 20.00 C ATOM 855 NE ARG A 47 0.713 -32.954 0.641 1.00 20.00 N ATOM 856 CZ ARG A 47 0.816 -33.506 -0.566 1.00 20.00 C ATOM 857 NH1 ARG A 47 0.406 -34.748 -0.782 1.00 20.00 N ATOM 858 NH2 ARG A 47 1.332 -32.803 -1.565 1.00 20.00 N ATOM 0 H ARG A 47 -0.875 -34.037 6.655 1.00 20.00 H new ATOM 0 HA ARG A 47 1.516 -32.832 5.753 1.00 20.00 H new ATOM 0 HB2 ARG A 47 0.417 -34.558 4.445 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -1.037 -33.591 4.295 1.00 20.00 H new ATOM 0 HG2 ARG A 47 0.259 -31.866 3.034 1.00 20.00 H new ATOM 0 HG3 ARG A 47 1.692 -32.867 3.158 1.00 20.00 H new ATOM 0 HD2 ARG A 47 0.577 -34.656 1.863 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -0.889 -33.700 1.776 1.00 20.00 H new ATOM 0 HE ARG A 47 1.015 -31.985 0.745 1.00 20.00 H new ATOM 0 HH11 ARG A 47 0.006 -35.293 -0.018 1.00 20.00 H new ATOM 0 HH12 ARG A 47 0.491 -35.159 -1.712 1.00 20.00 H new ATOM 0 HH21 ARG A 47 1.647 -31.846 -1.406 1.00 20.00 H new ATOM 0 HH22 ARG A 47 1.414 -33.219 -2.493 1.00 20.00 H new ATOM 872 N ARG A 48 -1.243 -31.017 5.727 1.00 20.00 N ATOM 873 CA ARG A 48 -1.770 -29.667 5.591 1.00 20.00 C ATOM 874 C ARG A 48 -0.943 -28.697 6.418 1.00 20.00 C ATOM 875 O ARG A 48 -0.552 -27.637 5.940 1.00 20.00 O ATOM 876 CB ARG A 48 -3.234 -29.601 6.041 1.00 20.00 C ATOM 877 CG ARG A 48 -3.949 -28.326 5.605 1.00 20.00 C ATOM 878 CD ARG A 48 -4.489 -28.439 4.182 1.00 20.00 C ATOM 879 NE ARG A 48 -3.509 -29.002 3.252 1.00 20.00 N ATOM 880 CZ ARG A 48 -3.662 -30.171 2.627 1.00 20.00 C ATOM 881 NH1 ARG A 48 -4.778 -30.873 2.783 1.00 20.00 N ATOM 882 NH2 ARG A 48 -2.698 -30.644 1.847 1.00 20.00 N ATOM 0 H ARG A 48 -1.927 -31.707 6.037 1.00 20.00 H new ATOM 0 HA ARG A 48 -1.715 -29.389 4.538 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -3.768 -30.463 5.640 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -3.275 -29.678 7.128 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -4.771 -28.117 6.290 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -3.260 -27.483 5.667 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -5.382 -29.063 4.185 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -4.791 -27.452 3.832 1.00 20.00 H new ATOM 0 HE ARG A 48 -2.658 -28.469 3.071 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -5.523 -30.519 3.383 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -4.890 -31.766 2.303 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -1.836 -30.113 1.723 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -2.819 -31.538 1.371 1.00 20.00 H new ATOM 896 N MET A 49 -0.661 -29.085 7.654 1.00 20.00 N ATOM 897 CA MET A 49 0.109 -28.252 8.566 1.00 20.00 C ATOM 898 C MET A 49 1.543 -28.084 8.081 1.00 20.00 C ATOM 899 O MET A 49 2.108 -26.999 8.164 1.00 20.00 O ATOM 900 CB MET A 49 0.100 -28.852 9.966 1.00 20.00 C ATOM 901 CG MET A 49 -1.291 -28.949 10.561 1.00 20.00 C ATOM 902 SD MET A 49 -2.087 -27.343 10.745 1.00 20.00 S ATOM 903 CE MET A 49 -3.692 -27.849 11.357 1.00 20.00 C ATOM 0 H MET A 49 -0.956 -29.977 8.050 1.00 20.00 H new ATOM 0 HA MET A 49 -0.359 -27.268 8.596 1.00 20.00 H new ATOM 0 HB2 MET A 49 0.544 -29.847 9.932 1.00 20.00 H new ATOM 0 HB3 MET A 49 0.727 -28.245 10.619 1.00 20.00 H new ATOM 0 HG2 MET A 49 -1.909 -29.585 9.927 1.00 20.00 H new ATOM 0 HG3 MET A 49 -1.231 -29.433 11.536 1.00 20.00 H new ATOM 0 HE1 MET A 49 -4.312 -26.968 11.524 1.00 20.00 H new ATOM 0 HE2 MET A 49 -4.173 -28.497 10.625 1.00 20.00 H new ATOM 0 HE3 MET A 49 -3.570 -28.390 12.295 1.00 20.00 H new ATOM 913 N ALA A 50 2.120 -29.157 7.553 1.00 20.00 N ATOM 914 CA ALA A 50 3.492 -29.125 7.066 1.00 20.00 C ATOM 915 C ALA A 50 3.636 -28.133 5.918 1.00 20.00 C ATOM 916 O ALA A 50 4.610 -27.380 5.845 1.00 20.00 O ATOM 917 CB ALA A 50 3.930 -30.511 6.625 1.00 20.00 C ATOM 0 H ALA A 50 1.658 -30.061 7.452 1.00 20.00 H new ATOM 0 HA ALA A 50 4.136 -28.799 7.883 1.00 20.00 H new ATOM 0 HB1 ALA A 50 4.958 -30.470 6.264 1.00 20.00 H new ATOM 0 HB2 ALA A 50 3.869 -31.198 7.469 1.00 20.00 H new ATOM 0 HB3 ALA A 50 3.278 -30.861 5.825 1.00 20.00 H new ATOM 923 N GLU A 51 2.645 -28.128 5.039 1.00 20.00 N ATOM 924 CA GLU A 51 2.631 -27.228 3.892 1.00 20.00 C ATOM 925 C GLU A 51 2.244 -25.815 4.331 1.00 20.00 C ATOM 926 O GLU A 51 2.663 -24.823 3.733 1.00 20.00 O ATOM 927 CB GLU A 51 1.639 -27.739 2.840 1.00 20.00 C ATOM 928 CG GLU A 51 1.931 -29.150 2.347 1.00 20.00 C ATOM 929 CD GLU A 51 0.893 -29.648 1.361 1.00 20.00 C ATOM 930 OE1 GLU A 51 -0.316 -29.506 1.639 1.00 20.00 O ATOM 931 OE2 GLU A 51 1.276 -30.201 0.307 1.00 20.00 O ATOM 0 H GLU A 51 1.833 -28.742 5.098 1.00 20.00 H new ATOM 0 HA GLU A 51 3.630 -27.198 3.457 1.00 20.00 H new ATOM 0 HB2 GLU A 51 0.634 -27.713 3.261 1.00 20.00 H new ATOM 0 HB3 GLU A 51 1.646 -27.059 1.988 1.00 20.00 H new ATOM 0 HG2 GLU A 51 2.914 -29.170 1.876 1.00 20.00 H new ATOM 0 HG3 GLU A 51 1.972 -29.828 3.200 1.00 20.00 H new ATOM 938 N ARG A 52 1.450 -25.751 5.390 1.00 20.00 N ATOM 939 CA ARG A 52 0.937 -24.494 5.922 1.00 20.00 C ATOM 940 C ARG A 52 2.011 -23.733 6.701 1.00 20.00 C ATOM 941 O ARG A 52 2.200 -22.531 6.496 1.00 20.00 O ATOM 942 CB ARG A 52 -0.273 -24.791 6.816 1.00 20.00 C ATOM 943 CG ARG A 52 -0.831 -23.599 7.570 1.00 20.00 C ATOM 944 CD ARG A 52 -2.039 -24.005 8.402 1.00 20.00 C ATOM 945 NE ARG A 52 -2.526 -22.919 9.252 1.00 20.00 N ATOM 946 CZ ARG A 52 -3.493 -23.062 10.158 1.00 20.00 C ATOM 947 NH1 ARG A 52 -4.109 -24.233 10.300 1.00 20.00 N ATOM 948 NH2 ARG A 52 -3.851 -22.034 10.917 1.00 20.00 N ATOM 0 H ARG A 52 1.141 -26.573 5.908 1.00 20.00 H new ATOM 0 HA ARG A 52 0.634 -23.857 5.091 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -1.066 -25.212 6.198 1.00 20.00 H new ATOM 0 HB3 ARG A 52 0.009 -25.557 7.538 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -0.061 -23.180 8.218 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -1.115 -22.817 6.865 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -2.840 -24.329 7.738 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -1.776 -24.860 9.025 1.00 20.00 H new ATOM 0 HE ARG A 52 -2.101 -21.998 9.145 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -3.841 -25.024 9.715 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -4.849 -24.339 10.994 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -3.386 -21.133 10.807 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -4.591 -22.145 11.610 1.00 20.00 H new ATOM 962 N PHE A 53 2.724 -24.436 7.575 1.00 20.00 N ATOM 963 CA PHE A 53 3.740 -23.812 8.418 1.00 20.00 C ATOM 964 C PHE A 53 4.964 -23.409 7.609 1.00 20.00 C ATOM 965 O PHE A 53 5.838 -22.702 8.103 1.00 20.00 O ATOM 966 CB PHE A 53 4.156 -24.748 9.556 1.00 20.00 C ATOM 967 CG PHE A 53 3.071 -25.002 10.568 1.00 20.00 C ATOM 968 CD1 PHE A 53 2.229 -23.977 10.982 1.00 20.00 C ATOM 969 CD2 PHE A 53 2.896 -26.264 11.113 1.00 20.00 C ATOM 970 CE1 PHE A 53 1.238 -24.210 11.915 1.00 20.00 C ATOM 971 CE2 PHE A 53 1.905 -26.501 12.046 1.00 20.00 C ATOM 972 CZ PHE A 53 1.075 -25.473 12.447 1.00 20.00 C ATOM 0 H PHE A 53 2.617 -25.440 7.719 1.00 20.00 H new ATOM 0 HA PHE A 53 3.297 -22.911 8.844 1.00 20.00 H new ATOM 0 HB2 PHE A 53 4.473 -25.701 9.132 1.00 20.00 H new ATOM 0 HB3 PHE A 53 5.021 -24.322 10.065 1.00 20.00 H new ATOM 0 HD1 PHE A 53 2.351 -22.986 10.569 1.00 20.00 H new ATOM 0 HD2 PHE A 53 3.542 -27.072 10.805 1.00 20.00 H new ATOM 0 HE1 PHE A 53 0.591 -23.404 12.228 1.00 20.00 H new ATOM 0 HE2 PHE A 53 1.780 -27.490 12.462 1.00 20.00 H new ATOM 0 HZ PHE A 53 0.299 -25.657 13.176 1.00 20.00 H new ATOM 982 N ALA A 54 5.018 -23.850 6.361 1.00 20.00 N ATOM 983 CA ALA A 54 6.107 -23.482 5.468 1.00 20.00 C ATOM 984 C ALA A 54 6.149 -21.970 5.260 1.00 20.00 C ATOM 985 O ALA A 54 7.207 -21.400 4.984 1.00 20.00 O ATOM 986 CB ALA A 54 5.960 -24.199 4.138 1.00 20.00 C ATOM 0 H ALA A 54 4.319 -24.464 5.943 1.00 20.00 H new ATOM 0 HA ALA A 54 7.047 -23.787 5.927 1.00 20.00 H new ATOM 0 HB1 ALA A 54 6.781 -23.915 3.479 1.00 20.00 H new ATOM 0 HB2 ALA A 54 5.982 -25.276 4.301 1.00 20.00 H new ATOM 0 HB3 ALA A 54 5.012 -23.921 3.677 1.00 20.00 H new ATOM 992 N LYS A 55 4.993 -21.323 5.417 1.00 20.00 N ATOM 993 CA LYS A 55 4.891 -19.876 5.253 1.00 20.00 C ATOM 994 C LYS A 55 5.640 -19.142 6.362 1.00 20.00 C ATOM 995 O LYS A 55 5.973 -17.965 6.223 1.00 20.00 O ATOM 996 CB LYS A 55 3.428 -19.426 5.256 1.00 20.00 C ATOM 997 CG LYS A 55 2.543 -20.152 4.250 1.00 20.00 C ATOM 998 CD LYS A 55 1.189 -19.474 4.109 1.00 20.00 C ATOM 999 CE LYS A 55 0.474 -19.347 5.447 1.00 20.00 C ATOM 1000 NZ LYS A 55 0.195 -20.668 6.062 1.00 20.00 N ATOM 0 H LYS A 55 4.114 -21.781 5.658 1.00 20.00 H new ATOM 0 HA LYS A 55 5.343 -19.629 4.292 1.00 20.00 H new ATOM 0 HB2 LYS A 55 3.018 -19.573 6.255 1.00 20.00 H new ATOM 0 HB3 LYS A 55 3.389 -18.356 5.050 1.00 20.00 H new ATOM 0 HG2 LYS A 55 3.040 -20.180 3.280 1.00 20.00 H new ATOM 0 HG3 LYS A 55 2.403 -21.186 4.566 1.00 20.00 H new ATOM 0 HD2 LYS A 55 1.323 -18.484 3.674 1.00 20.00 H new ATOM 0 HD3 LYS A 55 0.568 -20.044 3.418 1.00 20.00 H new ATOM 0 HE2 LYS A 55 1.084 -18.753 6.128 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -0.463 -18.809 5.306 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -0.322 -20.533 6.954 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -0.380 -21.239 5.411 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 1.092 -21.159 6.253 1.00 20.00 H new ATOM 1014 N MET A 56 5.894 -19.842 7.462 1.00 20.00 N ATOM 1015 CA MET A 56 6.613 -19.267 8.594 1.00 20.00 C ATOM 1016 C MET A 56 8.062 -18.999 8.205 1.00 20.00 C ATOM 1017 O MET A 56 8.695 -18.068 8.704 1.00 20.00 O ATOM 1018 CB MET A 56 6.554 -20.214 9.799 1.00 20.00 C ATOM 1019 CG MET A 56 7.195 -19.660 11.061 1.00 20.00 C ATOM 1020 SD MET A 56 7.254 -20.870 12.401 1.00 20.00 S ATOM 1021 CE MET A 56 5.521 -21.303 12.553 1.00 20.00 C ATOM 0 H MET A 56 5.611 -20.813 7.594 1.00 20.00 H new ATOM 0 HA MET A 56 6.140 -18.325 8.871 1.00 20.00 H new ATOM 0 HB2 MET A 56 5.511 -20.451 10.009 1.00 20.00 H new ATOM 0 HB3 MET A 56 7.047 -21.150 9.536 1.00 20.00 H new ATOM 0 HG2 MET A 56 8.207 -19.326 10.833 1.00 20.00 H new ATOM 0 HG3 MET A 56 6.638 -18.784 11.392 1.00 20.00 H new ATOM 0 HE1 MET A 56 5.348 -21.779 13.518 1.00 20.00 H new ATOM 0 HE2 MET A 56 4.913 -20.402 12.478 1.00 20.00 H new ATOM 0 HE3 MET A 56 5.247 -21.993 11.755 1.00 20.00 H new ATOM 1031 N ARG A 57 8.573 -19.820 7.299 1.00 20.00 N ATOM 1032 CA ARG A 57 9.922 -19.652 6.791 1.00 20.00 C ATOM 1033 C ARG A 57 9.891 -18.885 5.474 1.00 20.00 C ATOM 1034 O ARG A 57 10.462 -17.796 5.364 1.00 20.00 O ATOM 1035 CB ARG A 57 10.595 -21.013 6.603 1.00 20.00 C ATOM 1036 CG ARG A 57 10.791 -21.778 7.900 1.00 20.00 C ATOM 1037 CD ARG A 57 11.308 -23.183 7.641 1.00 20.00 C ATOM 1038 NE ARG A 57 12.605 -23.179 6.964 1.00 20.00 N ATOM 1039 CZ ARG A 57 12.896 -23.931 5.899 1.00 20.00 C ATOM 1040 NH1 ARG A 57 11.970 -24.717 5.361 1.00 20.00 N ATOM 1041 NH2 ARG A 57 14.112 -23.887 5.368 1.00 20.00 N ATOM 0 H ARG A 57 8.069 -20.612 6.900 1.00 20.00 H new ATOM 0 HA ARG A 57 10.502 -19.081 7.516 1.00 20.00 H new ATOM 0 HB2 ARG A 57 9.993 -21.616 5.923 1.00 20.00 H new ATOM 0 HB3 ARG A 57 11.565 -20.867 6.127 1.00 20.00 H new ATOM 0 HG2 ARG A 57 11.494 -21.242 8.538 1.00 20.00 H new ATOM 0 HG3 ARG A 57 9.846 -21.830 8.440 1.00 20.00 H new ATOM 0 HD2 ARG A 57 11.396 -23.716 8.588 1.00 20.00 H new ATOM 0 HD3 ARG A 57 10.585 -23.728 7.034 1.00 20.00 H new ATOM 0 HE ARG A 57 13.332 -22.564 7.328 1.00 20.00 H new ATOM 0 HH11 ARG A 57 11.032 -24.748 5.761 1.00 20.00 H new ATOM 0 HH12 ARG A 57 12.197 -25.289 4.548 1.00 20.00 H new ATOM 0 HH21 ARG A 57 14.824 -23.279 5.773 1.00 20.00 H new ATOM 0 HH22 ARG A 57 14.334 -24.461 4.555 1.00 20.00 H new ATOM 1055 N LYS A 58 9.194 -19.454 4.492 1.00 20.00 N ATOM 1056 CA LYS A 58 9.030 -18.838 3.179 1.00 20.00 C ATOM 1057 C LYS A 58 8.259 -19.776 2.260 1.00 20.00 C ATOM 1058 O LYS A 58 8.743 -20.854 1.913 1.00 20.00 O ATOM 1059 CB LYS A 58 10.384 -18.504 2.547 1.00 20.00 C ATOM 1060 CG LYS A 58 10.282 -17.646 1.296 1.00 20.00 C ATOM 1061 CD LYS A 58 9.562 -16.337 1.578 1.00 20.00 C ATOM 1062 CE LYS A 58 9.699 -15.359 0.422 1.00 20.00 C ATOM 1063 NZ LYS A 58 11.112 -14.950 0.215 1.00 20.00 N ATOM 0 H LYS A 58 8.727 -20.356 4.586 1.00 20.00 H new ATOM 0 HA LYS A 58 8.475 -17.909 3.311 1.00 20.00 H new ATOM 0 HB2 LYS A 58 11.000 -17.986 3.282 1.00 20.00 H new ATOM 0 HB3 LYS A 58 10.898 -19.433 2.298 1.00 20.00 H new ATOM 0 HG2 LYS A 58 11.281 -17.438 0.913 1.00 20.00 H new ATOM 0 HG3 LYS A 58 9.751 -18.195 0.519 1.00 20.00 H new ATOM 0 HD2 LYS A 58 8.506 -16.535 1.764 1.00 20.00 H new ATOM 0 HD3 LYS A 58 9.966 -15.887 2.485 1.00 20.00 H new ATOM 0 HE2 LYS A 58 9.315 -15.817 -0.490 1.00 20.00 H new ATOM 0 HE3 LYS A 58 9.089 -14.477 0.617 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 11.141 -14.061 -0.324 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 11.572 -14.810 1.137 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 11.614 -15.692 -0.313 1.00 20.00 H new ATOM 1077 N GLU A 59 7.058 -19.374 1.883 1.00 20.00 N ATOM 1078 CA GLU A 59 6.233 -20.173 0.993 1.00 20.00 C ATOM 1079 C GLU A 59 5.411 -19.257 0.095 1.00 20.00 C ATOM 1080 O GLU A 59 5.112 -18.119 0.463 1.00 20.00 O ATOM 1081 CB GLU A 59 5.320 -21.093 1.811 1.00 20.00 C ATOM 1082 CG GLU A 59 4.412 -21.984 0.974 1.00 20.00 C ATOM 1083 CD GLU A 59 5.180 -22.888 0.029 1.00 20.00 C ATOM 1084 OE1 GLU A 59 5.504 -22.446 -1.093 1.00 20.00 O ATOM 1085 OE2 GLU A 59 5.455 -24.048 0.399 1.00 20.00 O ATOM 0 H GLU A 59 6.631 -18.497 2.180 1.00 20.00 H new ATOM 0 HA GLU A 59 6.872 -20.794 0.365 1.00 20.00 H new ATOM 0 HB2 GLU A 59 5.938 -21.723 2.450 1.00 20.00 H new ATOM 0 HB3 GLU A 59 4.702 -20.481 2.468 1.00 20.00 H new ATOM 0 HG2 GLU A 59 3.800 -22.596 1.637 1.00 20.00 H new ATOM 0 HG3 GLU A 59 3.730 -21.359 0.397 1.00 20.00 H new ATOM 1092 N ARG A 60 5.070 -19.753 -1.085 1.00 20.00 N ATOM 1093 CA ARG A 60 4.295 -18.991 -2.047 1.00 20.00 C ATOM 1094 C ARG A 60 2.864 -18.827 -1.568 1.00 20.00 C ATOM 1095 O ARG A 60 2.334 -19.687 -0.863 1.00 20.00 O ATOM 1096 CB ARG A 60 4.291 -19.691 -3.407 1.00 20.00 C ATOM 1097 CG ARG A 60 5.666 -19.844 -4.030 1.00 20.00 C ATOM 1098 CD ARG A 60 5.574 -20.479 -5.409 1.00 20.00 C ATOM 1099 NE ARG A 60 4.699 -19.718 -6.304 1.00 20.00 N ATOM 1100 CZ ARG A 60 4.436 -20.067 -7.563 1.00 20.00 C ATOM 1101 NH1 ARG A 60 4.977 -21.162 -8.078 1.00 20.00 N ATOM 1102 NH2 ARG A 60 3.628 -19.319 -8.306 1.00 20.00 N ATOM 0 H ARG A 60 5.322 -20.690 -1.400 1.00 20.00 H new ATOM 0 HA ARG A 60 4.757 -18.009 -2.147 1.00 20.00 H new ATOM 0 HB2 ARG A 60 3.843 -20.678 -3.294 1.00 20.00 H new ATOM 0 HB3 ARG A 60 3.655 -19.129 -4.091 1.00 20.00 H new ATOM 0 HG2 ARG A 60 6.145 -18.868 -4.107 1.00 20.00 H new ATOM 0 HG3 ARG A 60 6.295 -20.457 -3.385 1.00 20.00 H new ATOM 0 HD2 ARG A 60 6.571 -20.545 -5.845 1.00 20.00 H new ATOM 0 HD3 ARG A 60 5.199 -21.498 -5.315 1.00 20.00 H new ATOM 0 HE ARG A 60 4.265 -18.869 -5.942 1.00 20.00 H new ATOM 0 HH11 ARG A 60 5.597 -21.740 -7.510 1.00 20.00 H new ATOM 0 HH12 ARG A 60 4.774 -21.426 -9.042 1.00 20.00 H new ATOM 0 HH21 ARG A 60 3.208 -18.477 -7.913 1.00 20.00 H new ATOM 0 HH22 ARG A 60 3.427 -19.587 -9.269 1.00 20.00 H new ATOM 1116 N SER A 61 2.248 -17.720 -1.944 1.00 20.00 N ATOM 1117 CA SER A 61 0.848 -17.485 -1.645 1.00 20.00 C ATOM 1118 C SER A 61 -0.030 -18.307 -2.588 1.00 20.00 C ATOM 1119 O SER A 61 -0.598 -17.776 -3.545 1.00 20.00 O ATOM 1120 CB SER A 61 0.537 -15.993 -1.779 1.00 20.00 C ATOM 1121 OG SER A 61 1.082 -15.471 -2.984 1.00 20.00 O ATOM 0 H SER A 61 2.700 -16.965 -2.461 1.00 20.00 H new ATOM 0 HA SER A 61 0.637 -17.795 -0.621 1.00 20.00 H new ATOM 0 HB2 SER A 61 -0.542 -15.839 -1.766 1.00 20.00 H new ATOM 0 HB3 SER A 61 0.947 -15.453 -0.925 1.00 20.00 H new ATOM 0 HG SER A 61 0.771 -16.007 -3.743 1.00 20.00 H new ATOM 1127 N LYS A 62 -0.103 -19.609 -2.325 1.00 20.00 N ATOM 1128 CA LYS A 62 -0.850 -20.527 -3.170 1.00 20.00 C ATOM 1129 C LYS A 62 -2.341 -20.232 -3.065 1.00 20.00 C ATOM 1130 O LYS A 62 -3.003 -20.633 -2.106 1.00 20.00 O ATOM 1131 CB LYS A 62 -0.552 -21.978 -2.766 1.00 20.00 C ATOM 1132 CG LYS A 62 -0.767 -23.004 -3.877 1.00 20.00 C ATOM 1133 CD LYS A 62 -2.233 -23.154 -4.256 1.00 20.00 C ATOM 1134 CE LYS A 62 -2.417 -24.136 -5.403 1.00 20.00 C ATOM 1135 NZ LYS A 62 -1.707 -23.695 -6.634 1.00 20.00 N ATOM 0 H LYS A 62 0.351 -20.052 -1.526 1.00 20.00 H new ATOM 0 HA LYS A 62 -0.542 -20.391 -4.207 1.00 20.00 H new ATOM 0 HB2 LYS A 62 0.482 -22.042 -2.426 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -1.184 -22.242 -1.918 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -0.196 -22.707 -4.757 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -0.378 -23.970 -3.555 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -2.800 -23.495 -3.390 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -2.637 -22.182 -4.540 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -2.048 -25.117 -5.103 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -3.480 -24.248 -5.618 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -2.055 -24.239 -7.449 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -1.884 -22.682 -6.793 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -0.686 -23.855 -6.522 1.00 20.00 H new ATOM 1149 N GLN A 63 -2.859 -19.530 -4.054 1.00 20.00 N ATOM 1150 CA GLN A 63 -4.256 -19.153 -4.074 1.00 20.00 C ATOM 1151 C GLN A 63 -4.759 -19.127 -5.509 1.00 20.00 C ATOM 1152 O GLN A 63 -5.224 -20.180 -5.989 1.00 20.00 O ATOM 1153 CB GLN A 63 -4.442 -17.789 -3.405 1.00 20.00 C ATOM 1154 CG GLN A 63 -5.890 -17.350 -3.297 1.00 20.00 C ATOM 1155 CD GLN A 63 -6.042 -16.032 -2.572 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -6.019 -14.964 -3.184 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -6.197 -16.095 -1.260 1.00 20.00 N ATOM 1158 OXT GLN A 63 -4.667 -18.066 -6.160 1.00 20.00 O ATOM 0 H GLN A 63 -2.326 -19.207 -4.861 1.00 20.00 H new ATOM 0 HA GLN A 63 -4.837 -19.887 -3.516 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -4.007 -17.823 -2.406 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -3.886 -17.040 -3.969 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -6.315 -17.262 -4.297 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -6.461 -18.117 -2.774 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -6.211 -17.001 -0.791 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -6.303 -15.238 -0.717 1.00 20.00 H new TER 1167 GLN A 63