USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 45 SER OG : rot 100:sc= 0.883 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -129:sc= 1.12 (180deg=-0.543) USER MOD Single : A 1 LEU N :NH3+ -114:sc= 0.00814 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= 0.0152 F(o=-0.74,f=0.015) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.614 F(o=-1.3,f=-0.61) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.0113 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -152:sc= -6.94 (180deg=-11!) USER MOD Single : A 26 MET CE :methyl -179:sc= -0.733 (180deg=-0.741) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -127:sc= -0.0551 (180deg=-0.425) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.896! C(o=-0.9!,f=-1.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.7! USER MOD Single : A 60 ASN : amide:sc= -7.15! C(o=-7.1!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 65.853 46.161 -24.280 1.00 1.26 N ATOM 2 CA LEU A 1 65.760 46.414 -25.746 1.00 0.65 C ATOM 3 C LEU A 1 64.303 46.298 -26.210 1.00 0.58 C ATOM 4 O LEU A 1 63.557 45.465 -25.734 1.00 0.77 O ATOM 5 CB LEU A 1 66.635 45.328 -26.381 1.00 1.19 C ATOM 6 CG LEU A 1 66.894 45.659 -27.852 1.00 1.07 C ATOM 7 CD1 LEU A 1 67.739 46.930 -27.959 1.00 1.38 C ATOM 8 CD2 LEU A 1 67.647 44.499 -28.500 1.00 1.53 C ATOM 0 H1 LEU A 1 66.149 47.032 -23.795 1.00 1.26 H new ATOM 0 H2 LEU A 1 64.924 45.863 -23.920 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.551 45.411 -24.101 1.00 1.26 H new ATOM 0 HA LEU A 1 66.092 47.414 -26.025 1.00 0.65 H new ATOM 0 HB2 LEU A 1 67.581 45.252 -25.845 1.00 1.19 H new ATOM 0 HB3 LEU A 1 66.143 44.359 -26.299 1.00 1.19 H new ATOM 0 HG LEU A 1 65.942 45.817 -28.360 1.00 1.07 H new ATOM 0 HD11 LEU A 1 67.919 47.160 -29.009 1.00 1.38 H new ATOM 0 HD12 LEU A 1 67.209 47.760 -27.492 1.00 1.38 H new ATOM 0 HD13 LEU A 1 68.692 46.777 -27.452 1.00 1.38 H new ATOM 0 HD21 LEU A 1 67.835 44.728 -29.549 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.596 44.349 -27.986 1.00 1.53 H new ATOM 0 HD23 LEU A 1 67.048 43.591 -28.429 1.00 1.53 H new ATOM 22 N LYS A 2 63.891 47.130 -27.133 1.00 0.45 N ATOM 23 CA LYS A 2 62.477 47.067 -27.619 1.00 0.53 C ATOM 24 C LYS A 2 62.415 47.424 -29.110 1.00 0.43 C ATOM 25 O LYS A 2 63.342 47.983 -29.662 1.00 0.59 O ATOM 26 CB LYS A 2 61.725 48.116 -26.790 1.00 0.71 C ATOM 27 CG LYS A 2 61.108 47.462 -25.551 1.00 1.14 C ATOM 28 CD LYS A 2 62.094 47.536 -24.382 1.00 1.23 C ATOM 29 CE LYS A 2 61.706 48.691 -23.454 1.00 1.98 C ATOM 30 NZ LYS A 2 62.937 49.522 -23.338 1.00 2.63 N ATOM 0 H LYS A 2 64.469 47.848 -27.570 1.00 0.45 H new ATOM 0 HA LYS A 2 62.047 46.072 -27.508 1.00 0.53 H new ATOM 0 HB2 LYS A 2 62.407 48.911 -26.490 1.00 0.71 H new ATOM 0 HB3 LYS A 2 60.944 48.577 -27.395 1.00 0.71 H new ATOM 0 HG2 LYS A 2 60.178 47.966 -25.287 1.00 1.14 H new ATOM 0 HG3 LYS A 2 60.858 46.422 -25.763 1.00 1.14 H new ATOM 0 HD2 LYS A 2 62.090 46.596 -23.830 1.00 1.23 H new ATOM 0 HD3 LYS A 2 63.107 47.682 -24.757 1.00 1.23 H new ATOM 0 HE2 LYS A 2 60.878 49.268 -23.866 1.00 1.98 H new ATOM 0 HE3 LYS A 2 61.385 48.323 -22.479 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 62.750 50.335 -22.716 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 63.706 48.949 -22.936 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 63.215 49.864 -24.280 1.00 2.63 H new ATOM 44 N CYS A 3 61.330 47.110 -29.769 1.00 0.40 N ATOM 45 CA CYS A 3 61.217 47.439 -31.222 1.00 0.40 C ATOM 46 C CYS A 3 59.771 47.785 -31.579 1.00 0.40 C ATOM 47 O CYS A 3 58.843 47.202 -31.061 1.00 0.44 O ATOM 48 CB CYS A 3 61.658 46.174 -31.952 1.00 0.54 C ATOM 49 SG CYS A 3 63.465 46.089 -31.951 1.00 0.68 S ATOM 0 H CYS A 3 60.519 46.641 -29.366 1.00 0.40 H new ATOM 0 HA CYS A 3 61.826 48.301 -31.495 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.240 45.293 -31.464 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.282 46.180 -32.975 1.00 0.54 H new ATOM 54 N ASN A 4 59.565 48.726 -32.462 1.00 0.43 N ATOM 55 CA ASN A 4 58.168 49.089 -32.833 1.00 0.49 C ATOM 56 C ASN A 4 57.362 47.821 -33.117 1.00 0.49 C ATOM 57 O ASN A 4 57.882 46.843 -33.618 1.00 0.55 O ATOM 58 CB ASN A 4 58.284 49.953 -34.093 1.00 0.60 C ATOM 59 CG ASN A 4 58.806 51.343 -33.719 1.00 0.99 C ATOM 60 OD1 ASN A 4 60.092 51.551 -33.657 1.00 1.93 O flip ATOM 61 ND2 ASN A 4 58.032 52.249 -33.482 1.00 1.09 N flip ATOM 0 H ASN A 4 60.297 49.254 -32.938 1.00 0.43 H new ATOM 0 HA ASN A 4 57.656 49.625 -32.034 1.00 0.49 H new ATOM 0 HB2 ASN A 4 58.958 49.481 -34.808 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.312 50.038 -34.579 1.00 0.60 H new ATOM 0 HD21 ASN A 4 57.026 52.086 -33.531 1.00 1.09 H new ATOM 0 HD22 ASN A 4 58.388 53.172 -33.235 1.00 1.09 H new ATOM 68 N LYS A 5 56.098 47.823 -32.786 1.00 0.52 N ATOM 69 CA LYS A 5 55.257 46.620 -33.024 1.00 0.60 C ATOM 70 C LYS A 5 54.485 46.764 -34.328 1.00 0.71 C ATOM 71 O LYS A 5 54.261 47.856 -34.809 1.00 1.48 O ATOM 72 CB LYS A 5 54.281 46.575 -31.854 1.00 0.68 C ATOM 73 CG LYS A 5 54.684 45.462 -30.899 1.00 1.03 C ATOM 74 CD LYS A 5 54.059 44.148 -31.369 1.00 1.48 C ATOM 75 CE LYS A 5 53.003 43.689 -30.360 1.00 1.84 C ATOM 76 NZ LYS A 5 52.552 42.358 -30.857 1.00 2.49 N ATOM 0 H LYS A 5 55.612 48.612 -32.359 1.00 0.52 H new ATOM 0 HA LYS A 5 55.860 45.715 -33.098 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.277 47.532 -31.333 1.00 0.68 H new ATOM 0 HB3 LYS A 5 53.268 46.407 -32.218 1.00 0.68 H new ATOM 0 HG2 LYS A 5 55.770 45.371 -30.865 1.00 1.03 H new ATOM 0 HG3 LYS A 5 54.352 45.696 -29.888 1.00 1.03 H new ATOM 0 HD2 LYS A 5 53.604 44.281 -32.351 1.00 1.48 H new ATOM 0 HD3 LYS A 5 54.830 43.385 -31.476 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.421 43.615 -29.356 1.00 1.84 H new ATOM 0 HE3 LYS A 5 52.173 44.394 -30.308 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 51.826 41.976 -30.217 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 52.153 42.461 -31.812 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 53.362 41.707 -30.889 1.00 2.49 H new ATOM 90 N LEU A 6 54.071 45.665 -34.888 1.00 0.53 N ATOM 91 CA LEU A 6 53.302 45.695 -36.162 1.00 0.57 C ATOM 92 C LEU A 6 52.395 46.931 -36.253 1.00 0.62 C ATOM 93 O LEU A 6 52.290 47.551 -37.293 1.00 0.72 O ATOM 94 CB LEU A 6 52.449 44.431 -36.110 1.00 0.59 C ATOM 95 CG LEU A 6 52.745 43.541 -37.313 1.00 0.70 C ATOM 96 CD1 LEU A 6 51.793 42.347 -37.285 1.00 1.22 C ATOM 97 CD2 LEU A 6 52.533 44.331 -38.607 1.00 0.78 C ATOM 0 H LEU A 6 54.235 44.731 -34.511 1.00 0.53 H new ATOM 0 HA LEU A 6 53.962 45.741 -37.028 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.651 43.886 -35.188 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.392 44.698 -36.098 1.00 0.59 H new ATOM 0 HG LEU A 6 53.779 43.197 -37.272 1.00 0.70 H new ATOM 0 HD11 LEU A 6 51.994 41.702 -38.140 1.00 1.22 H new ATOM 0 HD12 LEU A 6 51.942 41.785 -36.363 1.00 1.22 H new ATOM 0 HD13 LEU A 6 50.763 42.701 -37.332 1.00 1.22 H new ATOM 0 HD21 LEU A 6 52.746 43.691 -39.463 1.00 0.78 H new ATOM 0 HD22 LEU A 6 51.500 44.674 -38.659 1.00 0.78 H new ATOM 0 HD23 LEU A 6 53.202 45.191 -38.622 1.00 0.78 H new ATOM 109 N VAL A 7 51.722 47.288 -35.187 1.00 0.61 N ATOM 110 CA VAL A 7 50.812 48.472 -35.258 1.00 0.71 C ATOM 111 C VAL A 7 51.500 49.748 -34.757 1.00 0.70 C ATOM 112 O VAL A 7 52.217 49.716 -33.778 1.00 0.62 O ATOM 113 CB VAL A 7 49.635 48.143 -34.341 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.480 49.096 -34.657 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.183 46.701 -34.582 1.00 0.79 C ATOM 0 H VAL A 7 51.762 46.818 -34.283 1.00 0.61 H new ATOM 0 HA VAL A 7 50.509 48.657 -36.288 1.00 0.71 H new ATOM 0 HB VAL A 7 49.937 48.256 -33.300 1.00 0.73 H new ATOM 0 HG11 VAL A 7 47.634 48.870 -34.008 1.00 0.93 H new ATOM 0 HG12 VAL A 7 48.801 50.124 -34.490 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.181 48.973 -35.698 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.343 46.469 -33.927 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.875 46.585 -35.621 1.00 0.79 H new ATOM 0 HG23 VAL A 7 50.008 46.021 -34.370 1.00 0.79 H new ATOM 125 N PRO A 8 51.232 50.848 -35.428 1.00 0.84 N ATOM 126 CA PRO A 8 51.806 52.154 -35.017 1.00 0.91 C ATOM 127 C PRO A 8 51.173 52.614 -33.696 1.00 0.92 C ATOM 128 O PRO A 8 50.646 53.704 -33.600 1.00 1.21 O ATOM 129 CB PRO A 8 51.385 53.080 -36.163 1.00 1.09 C ATOM 130 CG PRO A 8 50.570 52.263 -37.185 1.00 1.12 C ATOM 131 CD PRO A 8 50.363 50.848 -36.629 1.00 0.97 C ATOM 0 HA PRO A 8 52.883 52.130 -34.852 1.00 0.91 H new ATOM 0 HB2 PRO A 8 50.789 53.908 -35.780 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.264 53.514 -36.641 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.608 52.741 -37.370 1.00 1.12 H new ATOM 0 HG3 PRO A 8 51.094 52.221 -38.140 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.320 50.660 -36.376 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.660 50.082 -37.346 1.00 0.97 H new ATOM 139 N LEU A 9 51.212 51.793 -32.681 1.00 0.78 N ATOM 140 CA LEU A 9 50.606 52.183 -31.382 1.00 0.82 C ATOM 141 C LEU A 9 51.476 51.687 -30.226 1.00 0.72 C ATOM 142 O LEU A 9 51.675 52.375 -29.243 1.00 0.84 O ATOM 143 CB LEU A 9 49.243 51.489 -31.356 1.00 0.87 C ATOM 144 CG LEU A 9 48.184 52.404 -31.970 1.00 1.12 C ATOM 145 CD1 LEU A 9 47.339 51.609 -32.971 1.00 1.82 C ATOM 146 CD2 LEU A 9 47.278 52.946 -30.862 1.00 1.60 C ATOM 0 H LEU A 9 51.639 50.867 -32.699 1.00 0.78 H new ATOM 0 HA LEU A 9 50.517 53.264 -31.276 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.292 50.551 -31.910 1.00 0.87 H new ATOM 0 HB3 LEU A 9 48.971 51.240 -30.330 1.00 0.87 H new ATOM 0 HG LEU A 9 48.673 53.232 -32.483 1.00 1.12 H new ATOM 0 HD11 LEU A 9 46.584 52.262 -33.409 1.00 1.82 H new ATOM 0 HD12 LEU A 9 47.982 51.218 -33.760 1.00 1.82 H new ATOM 0 HD13 LEU A 9 46.850 50.781 -32.458 1.00 1.82 H new ATOM 0 HD21 LEU A 9 46.522 53.599 -31.297 1.00 1.60 H new ATOM 0 HD22 LEU A 9 46.790 52.115 -30.352 1.00 1.60 H new ATOM 0 HD23 LEU A 9 47.876 53.510 -30.146 1.00 1.60 H new ATOM 158 N PHE A 10 51.990 50.497 -30.338 1.00 0.57 N ATOM 159 CA PHE A 10 52.846 49.938 -29.251 1.00 0.55 C ATOM 160 C PHE A 10 54.112 49.328 -29.854 1.00 0.49 C ATOM 161 O PHE A 10 54.401 49.513 -31.019 1.00 0.52 O ATOM 162 CB PHE A 10 52.000 48.851 -28.564 1.00 0.62 C ATOM 163 CG PHE A 10 50.934 48.307 -29.502 1.00 0.64 C ATOM 164 CD1 PHE A 10 51.287 47.484 -30.583 1.00 0.77 C ATOM 165 CD2 PHE A 10 49.587 48.619 -29.278 1.00 0.75 C ATOM 166 CE1 PHE A 10 50.292 46.981 -31.431 1.00 0.92 C ATOM 167 CE2 PHE A 10 48.596 48.114 -30.124 1.00 0.89 C ATOM 168 CZ PHE A 10 48.948 47.295 -31.201 1.00 0.94 C ATOM 0 H PHE A 10 51.855 49.881 -31.140 1.00 0.57 H new ATOM 0 HA PHE A 10 53.156 50.705 -28.541 1.00 0.55 H new ATOM 0 HB2 PHE A 10 52.647 48.038 -28.234 1.00 0.62 H new ATOM 0 HB3 PHE A 10 51.527 49.264 -27.673 1.00 0.62 H new ATOM 0 HD1 PHE A 10 52.324 47.239 -30.761 1.00 0.77 H new ATOM 0 HD2 PHE A 10 49.313 49.253 -28.448 1.00 0.75 H new ATOM 0 HE1 PHE A 10 50.563 46.349 -32.264 1.00 0.92 H new ATOM 0 HE2 PHE A 10 47.559 48.356 -29.946 1.00 0.89 H new ATOM 0 HZ PHE A 10 48.183 46.905 -31.855 1.00 0.94 H new ATOM 178 N TYR A 11 54.863 48.597 -29.075 1.00 0.47 N ATOM 179 CA TYR A 11 56.100 47.964 -29.615 1.00 0.44 C ATOM 180 C TYR A 11 56.391 46.659 -28.875 1.00 0.49 C ATOM 181 O TYR A 11 55.690 46.284 -27.956 1.00 0.62 O ATOM 182 CB TYR A 11 57.223 48.982 -29.399 1.00 0.42 C ATOM 183 CG TYR A 11 57.184 49.492 -27.986 1.00 0.44 C ATOM 184 CD1 TYR A 11 56.262 50.478 -27.628 1.00 0.70 C ATOM 185 CD2 TYR A 11 58.070 48.976 -27.033 1.00 0.69 C ATOM 186 CE1 TYR A 11 56.225 50.955 -26.314 1.00 0.76 C ATOM 187 CE2 TYR A 11 58.035 49.452 -25.718 1.00 0.80 C ATOM 188 CZ TYR A 11 57.110 50.441 -25.358 1.00 0.67 C ATOM 189 OH TYR A 11 57.075 50.911 -24.062 1.00 0.83 O ATOM 0 H TYR A 11 54.674 48.411 -28.090 1.00 0.47 H new ATOM 0 HA TYR A 11 55.999 47.712 -30.671 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.189 48.520 -29.602 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.114 49.811 -30.098 1.00 0.42 H new ATOM 0 HD1 TYR A 11 55.578 50.872 -28.365 1.00 0.70 H new ATOM 0 HD2 TYR A 11 58.780 48.211 -27.313 1.00 0.69 H new ATOM 0 HE1 TYR A 11 55.514 51.719 -26.037 1.00 0.76 H new ATOM 0 HE2 TYR A 11 58.720 49.058 -24.982 1.00 0.80 H new ATOM 0 HH TYR A 11 57.754 50.448 -23.528 1.00 0.83 H new ATOM 199 N LYS A 12 57.411 45.956 -29.277 1.00 0.50 N ATOM 200 CA LYS A 12 57.739 44.667 -28.609 1.00 0.59 C ATOM 201 C LYS A 12 59.107 44.735 -27.926 1.00 0.49 C ATOM 202 O LYS A 12 59.851 45.684 -28.085 1.00 0.49 O ATOM 203 CB LYS A 12 57.763 43.641 -29.740 1.00 0.74 C ATOM 204 CG LYS A 12 57.222 42.307 -29.228 1.00 1.20 C ATOM 205 CD LYS A 12 58.383 41.336 -29.015 1.00 1.50 C ATOM 206 CE LYS A 12 58.808 40.747 -30.362 1.00 1.68 C ATOM 207 NZ LYS A 12 59.330 39.391 -30.036 1.00 2.19 N ATOM 0 H LYS A 12 58.033 46.219 -30.041 1.00 0.50 H new ATOM 0 HA LYS A 12 57.018 44.417 -27.831 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.161 43.993 -30.577 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.781 43.515 -30.110 1.00 0.74 H new ATOM 0 HG2 LYS A 12 56.682 42.456 -28.293 1.00 1.20 H new ATOM 0 HG3 LYS A 12 56.512 41.891 -29.943 1.00 1.20 H new ATOM 0 HD2 LYS A 12 59.223 41.853 -28.551 1.00 1.50 H new ATOM 0 HD3 LYS A 12 58.084 40.538 -28.335 1.00 1.50 H new ATOM 0 HE2 LYS A 12 57.967 40.692 -31.053 1.00 1.68 H new ATOM 0 HE3 LYS A 12 59.572 41.361 -30.839 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 59.643 38.920 -30.909 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 60.134 39.477 -29.382 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 58.578 38.828 -29.589 1.00 2.19 H new ATOM 221 N THR A 13 59.442 43.724 -27.172 1.00 0.64 N ATOM 222 CA THR A 13 60.761 43.703 -26.476 1.00 0.62 C ATOM 223 C THR A 13 61.755 42.869 -27.286 1.00 0.66 C ATOM 224 O THR A 13 61.384 42.196 -28.228 1.00 0.75 O ATOM 225 CB THR A 13 60.480 43.042 -25.128 1.00 0.70 C ATOM 226 OG1 THR A 13 59.328 43.635 -24.546 1.00 1.06 O ATOM 227 CG2 THR A 13 61.682 43.231 -24.200 1.00 1.08 C ATOM 0 H THR A 13 58.855 42.906 -27.007 1.00 0.64 H new ATOM 0 HA THR A 13 61.193 44.697 -26.359 1.00 0.62 H new ATOM 0 HB THR A 13 60.307 41.976 -25.274 1.00 0.70 H new ATOM 0 HG1 THR A 13 59.144 43.212 -23.681 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.478 42.758 -23.239 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.564 42.774 -24.649 1.00 1.08 H new ATOM 0 HG23 THR A 13 61.862 44.296 -24.050 1.00 1.08 H new ATOM 235 N CYS A 14 63.012 42.902 -26.938 1.00 0.65 N ATOM 236 CA CYS A 14 64.003 42.100 -27.713 1.00 0.76 C ATOM 237 C CYS A 14 65.005 41.424 -26.770 1.00 0.87 C ATOM 238 O CYS A 14 65.632 42.081 -25.960 1.00 0.99 O ATOM 239 CB CYS A 14 64.725 43.090 -28.639 1.00 0.75 C ATOM 240 SG CYS A 14 63.554 44.331 -29.262 1.00 1.34 S ATOM 0 H CYS A 14 63.393 43.442 -26.161 1.00 0.65 H new ATOM 0 HA CYS A 14 63.513 41.309 -28.280 1.00 0.76 H new ATOM 0 HB2 CYS A 14 65.534 43.581 -28.099 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.178 42.555 -29.474 1.00 0.75 H new ATOM 245 N PRO A 15 65.129 40.127 -26.909 1.00 1.06 N ATOM 246 CA PRO A 15 66.066 39.358 -26.063 1.00 1.31 C ATOM 247 C PRO A 15 67.511 39.766 -26.361 1.00 1.16 C ATOM 248 O PRO A 15 67.767 40.635 -27.171 1.00 1.40 O ATOM 249 CB PRO A 15 65.811 37.918 -26.510 1.00 1.54 C ATOM 250 CG PRO A 15 64.739 37.916 -27.610 1.00 1.54 C ATOM 251 CD PRO A 15 64.341 39.361 -27.905 1.00 1.24 C ATOM 0 HA PRO A 15 65.921 39.514 -24.994 1.00 1.31 H new ATOM 0 HB2 PRO A 15 66.733 37.471 -26.882 1.00 1.54 H new ATOM 0 HB3 PRO A 15 65.483 37.314 -25.664 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.123 37.438 -28.511 1.00 1.54 H new ATOM 0 HG3 PRO A 15 63.869 37.342 -27.290 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.590 39.649 -28.926 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.270 39.519 -27.782 1.00 1.24 H new ATOM 259 N ALA A 16 68.457 39.138 -25.720 1.00 1.32 N ATOM 260 CA ALA A 16 69.883 39.485 -25.975 1.00 1.21 C ATOM 261 C ALA A 16 70.309 38.977 -27.354 1.00 0.92 C ATOM 262 O ALA A 16 69.669 38.123 -27.936 1.00 1.02 O ATOM 263 CB ALA A 16 70.668 38.770 -24.875 1.00 1.58 C ATOM 0 H ALA A 16 68.305 38.401 -25.032 1.00 1.32 H new ATOM 0 HA ALA A 16 70.055 40.561 -25.964 1.00 1.21 H new ATOM 0 HB1 ALA A 16 71.732 38.977 -24.994 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.336 39.127 -23.900 1.00 1.58 H new ATOM 0 HB3 ALA A 16 70.497 37.696 -24.946 1.00 1.58 H new ATOM 269 N GLY A 17 71.387 39.490 -27.880 1.00 0.84 N ATOM 270 CA GLY A 17 71.855 39.032 -29.219 1.00 0.75 C ATOM 271 C GLY A 17 71.242 39.913 -30.311 1.00 0.63 C ATOM 272 O GLY A 17 71.903 40.296 -31.253 1.00 0.83 O ATOM 0 H GLY A 17 71.964 40.207 -27.440 1.00 0.84 H new ATOM 0 HA2 GLY A 17 72.943 39.078 -29.270 1.00 0.75 H new ATOM 0 HA3 GLY A 17 71.572 37.991 -29.377 1.00 0.75 H new ATOM 276 N LYS A 18 69.984 40.240 -30.190 1.00 0.60 N ATOM 277 CA LYS A 18 69.333 41.100 -31.222 1.00 0.58 C ATOM 278 C LYS A 18 69.413 42.571 -30.788 1.00 0.59 C ATOM 279 O LYS A 18 69.266 42.884 -29.624 1.00 0.88 O ATOM 280 CB LYS A 18 67.875 40.621 -31.269 1.00 0.71 C ATOM 281 CG LYS A 18 67.807 39.196 -31.828 1.00 1.60 C ATOM 282 CD LYS A 18 66.438 38.586 -31.502 1.00 2.39 C ATOM 283 CE LYS A 18 66.609 37.132 -31.053 1.00 2.98 C ATOM 284 NZ LYS A 18 65.954 36.319 -32.117 1.00 3.59 N ATOM 0 H LYS A 18 69.379 39.950 -29.422 1.00 0.60 H new ATOM 0 HA LYS A 18 69.811 41.028 -32.199 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.442 40.649 -30.269 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.283 41.293 -31.891 1.00 0.71 H new ATOM 0 HG2 LYS A 18 67.964 39.209 -32.907 1.00 1.60 H new ATOM 0 HG3 LYS A 18 68.601 38.586 -31.397 1.00 1.60 H new ATOM 0 HD2 LYS A 18 65.951 39.163 -30.716 1.00 2.39 H new ATOM 0 HD3 LYS A 18 65.792 38.631 -32.379 1.00 2.39 H new ATOM 0 HE2 LYS A 18 67.663 36.872 -30.950 1.00 2.98 H new ATOM 0 HE3 LYS A 18 66.143 36.961 -30.083 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 66.031 35.309 -31.879 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 64.951 36.583 -32.187 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 66.423 36.497 -33.028 1.00 3.59 H new ATOM 298 N ASN A 19 69.644 43.479 -31.705 1.00 0.40 N ATOM 299 CA ASN A 19 69.725 44.916 -31.326 1.00 0.50 C ATOM 300 C ASN A 19 68.959 45.759 -32.347 1.00 0.47 C ATOM 301 O ASN A 19 68.843 46.960 -32.209 1.00 0.60 O ATOM 302 CB ASN A 19 71.218 45.256 -31.345 1.00 0.65 C ATOM 303 CG ASN A 19 71.401 46.772 -31.458 1.00 1.16 C ATOM 304 OD1 ASN A 19 71.940 47.272 -32.538 1.00 1.93 O flip ATOM 305 ND2 ASN A 19 71.052 47.509 -30.557 1.00 1.75 N flip ATOM 0 H ASN A 19 69.779 43.283 -32.697 1.00 0.40 H new ATOM 0 HA ASN A 19 69.286 45.117 -30.349 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.696 44.889 -30.437 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.704 44.758 -32.184 1.00 0.65 H new ATOM 0 HD21 ASN A 19 70.631 47.119 -29.714 1.00 1.75 H new ATOM 0 HD22 ASN A 19 71.180 48.517 -30.644 1.00 1.75 H new ATOM 312 N LEU A 20 68.418 45.137 -33.364 1.00 0.40 N ATOM 313 CA LEU A 20 67.649 45.910 -34.367 1.00 0.48 C ATOM 314 C LEU A 20 66.184 45.523 -34.303 1.00 0.38 C ATOM 315 O LEU A 20 65.755 44.755 -33.464 1.00 0.56 O ATOM 316 CB LEU A 20 68.187 45.534 -35.756 1.00 0.64 C ATOM 317 CG LEU A 20 68.685 44.101 -35.779 1.00 0.77 C ATOM 318 CD1 LEU A 20 68.696 43.584 -37.218 1.00 1.13 C ATOM 319 CD2 LEU A 20 70.097 44.036 -35.206 1.00 1.34 C ATOM 0 H LEU A 20 68.479 44.134 -33.537 1.00 0.40 H new ATOM 0 HA LEU A 20 67.750 46.978 -34.174 1.00 0.48 H new ATOM 0 HB2 LEU A 20 67.401 45.661 -36.501 1.00 0.64 H new ATOM 0 HB3 LEU A 20 68.998 46.209 -36.030 1.00 0.64 H new ATOM 0 HG LEU A 20 68.021 43.482 -35.175 1.00 0.77 H new ATOM 0 HD11 LEU A 20 69.054 42.555 -37.232 1.00 1.13 H new ATOM 0 HD12 LEU A 20 67.686 43.623 -37.626 1.00 1.13 H new ATOM 0 HD13 LEU A 20 69.356 44.206 -37.823 1.00 1.13 H new ATOM 0 HD21 LEU A 20 70.450 43.005 -35.225 1.00 1.34 H new ATOM 0 HD22 LEU A 20 70.762 44.658 -35.805 1.00 1.34 H new ATOM 0 HD23 LEU A 20 70.090 44.398 -34.178 1.00 1.34 H new ATOM 331 N CYS A 21 65.424 46.036 -35.212 1.00 0.29 N ATOM 332 CA CYS A 21 63.988 45.707 -35.263 1.00 0.31 C ATOM 333 C CYS A 21 63.650 45.313 -36.699 1.00 0.32 C ATOM 334 O CYS A 21 63.907 46.056 -37.631 1.00 0.49 O ATOM 335 CB CYS A 21 63.296 46.990 -34.820 1.00 0.44 C ATOM 336 SG CYS A 21 64.014 47.533 -33.251 1.00 0.57 S ATOM 0 H CYS A 21 65.743 46.681 -35.935 1.00 0.29 H new ATOM 0 HA CYS A 21 63.680 44.875 -34.629 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.417 47.764 -35.578 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.225 46.820 -34.706 1.00 0.44 H new ATOM 341 N TYR A 22 63.134 44.127 -36.895 1.00 0.30 N ATOM 342 CA TYR A 22 62.846 43.669 -38.285 1.00 0.31 C ATOM 343 C TYR A 22 61.358 43.768 -38.641 1.00 0.31 C ATOM 344 O TYR A 22 60.501 43.273 -37.936 1.00 0.41 O ATOM 345 CB TYR A 22 63.317 42.208 -38.326 1.00 0.36 C ATOM 346 CG TYR A 22 62.195 41.272 -37.937 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.783 41.170 -36.602 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.572 40.500 -38.923 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.746 40.296 -36.259 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.537 39.628 -38.580 1.00 0.63 C ATOM 351 CZ TYR A 22 60.122 39.525 -37.248 1.00 0.55 C ATOM 352 OH TYR A 22 59.098 38.664 -36.908 1.00 0.66 O ATOM 0 H TYR A 22 62.901 43.461 -36.158 1.00 0.30 H new ATOM 0 HA TYR A 22 63.356 44.298 -39.015 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.671 41.963 -39.328 1.00 0.36 H new ATOM 0 HB3 TYR A 22 64.160 42.074 -37.649 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.265 41.764 -35.840 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.892 40.579 -39.951 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.426 40.216 -35.231 1.00 0.52 H new ATOM 0 HE2 TYR A 22 60.057 39.033 -39.343 1.00 0.63 H new ATOM 0 HH TYR A 22 58.618 39.018 -36.130 1.00 0.66 H new ATOM 362 N LYS A 23 61.058 44.354 -39.767 1.00 0.39 N ATOM 363 CA LYS A 23 59.644 44.434 -40.217 1.00 0.44 C ATOM 364 C LYS A 23 59.497 43.516 -41.428 1.00 0.45 C ATOM 365 O LYS A 23 60.090 43.747 -42.461 1.00 0.54 O ATOM 366 CB LYS A 23 59.403 45.897 -40.606 1.00 0.56 C ATOM 367 CG LYS A 23 60.574 46.415 -41.447 1.00 1.11 C ATOM 368 CD LYS A 23 60.236 47.807 -41.991 1.00 1.49 C ATOM 369 CE LYS A 23 59.802 47.699 -43.456 1.00 1.72 C ATOM 370 NZ LYS A 23 60.139 49.018 -44.061 1.00 2.18 N ATOM 0 H LYS A 23 61.737 44.782 -40.397 1.00 0.39 H new ATOM 0 HA LYS A 23 58.928 44.127 -39.454 1.00 0.44 H new ATOM 0 HB2 LYS A 23 58.474 45.984 -41.169 1.00 0.56 H new ATOM 0 HB3 LYS A 23 59.291 46.507 -39.709 1.00 0.56 H new ATOM 0 HG2 LYS A 23 61.479 46.460 -40.841 1.00 1.11 H new ATOM 0 HG3 LYS A 23 60.775 45.730 -42.271 1.00 1.11 H new ATOM 0 HD2 LYS A 23 59.439 48.256 -41.398 1.00 1.49 H new ATOM 0 HD3 LYS A 23 61.104 48.461 -41.906 1.00 1.49 H new ATOM 0 HE2 LYS A 23 60.325 46.888 -43.963 1.00 1.72 H new ATOM 0 HE3 LYS A 23 58.735 47.490 -43.536 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 59.870 49.018 -45.065 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 59.621 49.771 -43.564 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 61.162 49.187 -43.977 1.00 2.18 H new ATOM 384 N MET A 24 58.755 42.455 -41.307 1.00 0.47 N ATOM 385 CA MET A 24 58.632 41.517 -42.457 1.00 0.53 C ATOM 386 C MET A 24 57.280 41.656 -43.151 1.00 0.53 C ATOM 387 O MET A 24 56.241 41.567 -42.532 1.00 0.59 O ATOM 388 CB MET A 24 58.781 40.128 -41.843 1.00 0.63 C ATOM 389 CG MET A 24 58.469 39.056 -42.890 1.00 0.99 C ATOM 390 SD MET A 24 57.554 37.704 -42.109 1.00 1.69 S ATOM 391 CE MET A 24 58.480 37.670 -40.554 1.00 2.37 C ATOM 0 H MET A 24 58.232 42.196 -40.471 1.00 0.47 H new ATOM 0 HA MET A 24 59.382 41.718 -43.222 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.795 39.995 -41.466 1.00 0.63 H new ATOM 0 HB3 MET A 24 58.108 40.024 -40.992 1.00 0.63 H new ATOM 0 HG2 MET A 24 57.883 39.485 -43.703 1.00 0.99 H new ATOM 0 HG3 MET A 24 59.393 38.679 -43.328 1.00 0.99 H new ATOM 0 HE1 MET A 24 58.453 36.664 -40.136 1.00 2.37 H new ATOM 0 HE2 MET A 24 59.515 37.958 -40.740 1.00 2.37 H new ATOM 0 HE3 MET A 24 58.031 38.368 -39.848 1.00 2.37 H new ATOM 401 N PHE A 25 57.289 41.857 -44.443 1.00 0.53 N ATOM 402 CA PHE A 25 56.003 41.978 -45.175 1.00 0.58 C ATOM 403 C PHE A 25 56.013 41.107 -46.424 1.00 0.50 C ATOM 404 O PHE A 25 56.941 40.363 -46.675 1.00 0.49 O ATOM 405 CB PHE A 25 55.831 43.452 -45.576 1.00 0.70 C ATOM 406 CG PHE A 25 57.140 44.183 -45.734 1.00 0.61 C ATOM 407 CD1 PHE A 25 58.018 44.324 -44.652 1.00 0.78 C ATOM 408 CD2 PHE A 25 57.448 44.765 -46.963 1.00 0.84 C ATOM 409 CE1 PHE A 25 59.203 45.038 -44.804 1.00 0.83 C ATOM 410 CE2 PHE A 25 58.631 45.486 -47.115 1.00 0.86 C ATOM 411 CZ PHE A 25 59.512 45.622 -46.037 1.00 0.70 C ATOM 0 H PHE A 25 58.128 41.942 -45.016 1.00 0.53 H new ATOM 0 HA PHE A 25 55.181 41.648 -44.540 1.00 0.58 H new ATOM 0 HB2 PHE A 25 55.278 43.504 -46.514 1.00 0.70 H new ATOM 0 HB3 PHE A 25 55.228 43.959 -44.822 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.775 43.878 -43.699 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.770 44.657 -47.797 1.00 0.84 H new ATOM 0 HE1 PHE A 25 59.883 45.141 -43.971 1.00 0.83 H new ATOM 0 HE2 PHE A 25 58.868 45.940 -48.066 1.00 0.86 H new ATOM 0 HZ PHE A 25 60.430 46.178 -46.157 1.00 0.70 H new ATOM 421 N MET A 26 54.984 41.203 -47.214 1.00 0.56 N ATOM 422 CA MET A 26 54.921 40.396 -48.458 1.00 0.61 C ATOM 423 C MET A 26 55.189 41.302 -49.655 1.00 0.69 C ATOM 424 O MET A 26 54.600 41.148 -50.701 1.00 1.30 O ATOM 425 CB MET A 26 53.502 39.834 -48.497 1.00 0.72 C ATOM 426 CG MET A 26 53.449 38.545 -47.678 1.00 0.91 C ATOM 427 SD MET A 26 54.355 37.240 -48.545 1.00 1.46 S ATOM 428 CE MET A 26 53.095 36.876 -49.791 1.00 1.96 C ATOM 0 H MET A 26 54.180 41.809 -47.050 1.00 0.56 H new ATOM 0 HA MET A 26 55.660 39.596 -48.487 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.798 40.563 -48.096 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.204 39.637 -49.527 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.883 38.710 -46.692 1.00 0.91 H new ATOM 0 HG3 MET A 26 52.413 38.242 -47.524 1.00 0.91 H new ATOM 0 HE1 MET A 26 53.444 36.070 -50.437 1.00 1.96 H new ATOM 0 HE2 MET A 26 52.172 36.572 -49.297 1.00 1.96 H new ATOM 0 HE3 MET A 26 52.909 37.767 -50.391 1.00 1.96 H new ATOM 438 N VAL A 27 56.104 42.227 -49.484 1.00 0.76 N ATOM 439 CA VAL A 27 56.484 43.183 -50.571 1.00 0.80 C ATOM 440 C VAL A 27 55.248 43.896 -51.125 1.00 0.91 C ATOM 441 O VAL A 27 55.126 45.101 -51.030 1.00 1.08 O ATOM 442 CB VAL A 27 57.179 42.344 -51.645 1.00 0.93 C ATOM 443 CG1 VAL A 27 57.327 43.172 -52.923 1.00 1.11 C ATOM 444 CG2 VAL A 27 58.570 41.945 -51.144 1.00 1.06 C ATOM 0 H VAL A 27 56.616 42.361 -48.612 1.00 0.76 H new ATOM 0 HA VAL A 27 57.145 43.968 -50.203 1.00 0.80 H new ATOM 0 HB VAL A 27 56.587 41.453 -51.853 1.00 0.93 H new ATOM 0 HG11 VAL A 27 57.822 42.574 -53.688 1.00 1.11 H new ATOM 0 HG12 VAL A 27 56.341 43.472 -53.278 1.00 1.11 H new ATOM 0 HG13 VAL A 27 57.923 44.060 -52.714 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.073 41.346 -51.904 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.155 42.842 -50.943 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.473 41.362 -50.228 1.00 1.06 H new ATOM 454 N ALA A 28 54.321 43.168 -51.680 1.00 0.94 N ATOM 455 CA ALA A 28 53.090 43.811 -52.207 1.00 1.10 C ATOM 456 C ALA A 28 52.590 44.831 -51.185 1.00 1.12 C ATOM 457 O ALA A 28 51.993 45.829 -51.530 1.00 1.33 O ATOM 458 CB ALA A 28 52.089 42.667 -52.371 1.00 1.15 C ATOM 0 H ALA A 28 54.364 42.155 -51.791 1.00 0.94 H new ATOM 0 HA ALA A 28 53.247 44.338 -53.148 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.148 43.059 -52.758 1.00 1.15 H new ATOM 0 HB2 ALA A 28 52.489 41.931 -53.068 1.00 1.15 H new ATOM 0 HB3 ALA A 28 51.915 42.195 -51.404 1.00 1.15 H new ATOM 464 N THR A 29 52.856 44.589 -49.928 1.00 1.00 N ATOM 465 CA THR A 29 52.427 45.547 -48.868 1.00 1.09 C ATOM 466 C THR A 29 53.585 46.528 -48.596 1.00 0.90 C ATOM 467 O THR A 29 54.596 46.139 -48.045 1.00 0.93 O ATOM 468 CB THR A 29 52.103 44.652 -47.651 1.00 1.33 C ATOM 469 OG1 THR A 29 50.709 44.721 -47.371 1.00 1.93 O ATOM 470 CG2 THR A 29 52.886 45.086 -46.405 1.00 1.85 C ATOM 0 H THR A 29 53.354 43.766 -49.589 1.00 1.00 H new ATOM 0 HA THR A 29 51.563 46.157 -49.132 1.00 1.09 H new ATOM 0 HB THR A 29 52.394 43.631 -47.899 1.00 1.33 H new ATOM 0 HG1 THR A 29 50.502 44.152 -46.600 1.00 1.93 H new ATOM 0 HG21 THR A 29 52.632 44.433 -45.570 1.00 1.85 H new ATOM 0 HG22 THR A 29 53.955 45.019 -46.606 1.00 1.85 H new ATOM 0 HG23 THR A 29 52.628 46.115 -46.153 1.00 1.85 H new ATOM 478 N PRO A 30 53.416 47.764 -49.016 1.00 0.99 N ATOM 479 CA PRO A 30 54.481 48.784 -48.840 1.00 1.03 C ATOM 480 C PRO A 30 54.846 48.974 -47.358 1.00 0.85 C ATOM 481 O PRO A 30 55.706 48.289 -46.842 1.00 0.90 O ATOM 482 CB PRO A 30 53.848 50.042 -49.452 1.00 1.44 C ATOM 483 CG PRO A 30 52.433 49.692 -49.948 1.00 1.67 C ATOM 484 CD PRO A 30 52.168 48.205 -49.681 1.00 1.36 C ATOM 0 HA PRO A 30 55.425 48.513 -49.313 1.00 1.03 H new ATOM 0 HB2 PRO A 30 53.802 50.840 -48.711 1.00 1.44 H new ATOM 0 HB3 PRO A 30 54.458 50.408 -50.278 1.00 1.44 H new ATOM 0 HG2 PRO A 30 51.691 50.305 -49.436 1.00 1.67 H new ATOM 0 HG3 PRO A 30 52.343 49.906 -51.013 1.00 1.67 H new ATOM 0 HD2 PRO A 30 51.296 48.058 -49.044 1.00 1.36 H new ATOM 0 HD3 PRO A 30 51.985 47.655 -50.604 1.00 1.36 H new ATOM 492 N LYS A 31 54.226 49.895 -46.665 1.00 0.96 N ATOM 493 CA LYS A 31 54.590 50.094 -45.235 1.00 1.02 C ATOM 494 C LYS A 31 53.499 49.548 -44.306 1.00 0.94 C ATOM 495 O LYS A 31 53.034 50.228 -43.413 1.00 1.09 O ATOM 496 CB LYS A 31 54.759 51.609 -45.065 1.00 1.39 C ATOM 497 CG LYS A 31 53.409 52.314 -45.219 1.00 1.90 C ATOM 498 CD LYS A 31 53.634 53.742 -45.723 1.00 2.38 C ATOM 499 CE LYS A 31 52.402 54.205 -46.509 1.00 2.81 C ATOM 500 NZ LYS A 31 52.753 55.556 -47.033 1.00 3.08 N ATOM 0 H LYS A 31 53.494 50.509 -47.023 1.00 0.96 H new ATOM 0 HA LYS A 31 55.502 49.557 -44.972 1.00 1.02 H new ATOM 0 HB2 LYS A 31 55.181 51.827 -44.084 1.00 1.39 H new ATOM 0 HB3 LYS A 31 55.462 51.989 -45.806 1.00 1.39 H new ATOM 0 HG2 LYS A 31 52.778 51.765 -45.918 1.00 1.90 H new ATOM 0 HG3 LYS A 31 52.885 52.332 -44.263 1.00 1.90 H new ATOM 0 HD2 LYS A 31 53.815 54.412 -44.882 1.00 2.38 H new ATOM 0 HD3 LYS A 31 54.519 53.780 -46.358 1.00 2.38 H new ATOM 0 HE2 LYS A 31 52.172 53.516 -47.322 1.00 2.81 H new ATOM 0 HE3 LYS A 31 51.521 54.248 -45.869 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 51.954 55.934 -47.582 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 52.959 56.194 -46.238 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 53.590 55.484 -47.645 1.00 3.08 H new ATOM 514 N VAL A 32 53.119 48.310 -44.490 1.00 0.83 N ATOM 515 CA VAL A 32 52.091 47.696 -43.596 1.00 0.87 C ATOM 516 C VAL A 32 52.399 46.201 -43.459 1.00 0.69 C ATOM 517 O VAL A 32 51.560 45.365 -43.719 1.00 0.70 O ATOM 518 CB VAL A 32 50.745 47.930 -44.283 1.00 1.10 C ATOM 519 CG1 VAL A 32 50.693 47.154 -45.593 1.00 1.65 C ATOM 520 CG2 VAL A 32 49.619 47.456 -43.362 1.00 1.72 C ATOM 0 H VAL A 32 53.477 47.696 -45.222 1.00 0.83 H new ATOM 0 HA VAL A 32 52.082 48.126 -42.595 1.00 0.87 H new ATOM 0 HB VAL A 32 50.625 48.993 -44.492 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.732 47.324 -46.079 1.00 1.65 H new ATOM 0 HG12 VAL A 32 51.496 47.492 -46.248 1.00 1.65 H new ATOM 0 HG13 VAL A 32 50.814 46.090 -45.391 1.00 1.65 H new ATOM 0 HG21 VAL A 32 48.657 47.621 -43.848 1.00 1.72 H new ATOM 0 HG22 VAL A 32 49.742 46.393 -43.154 1.00 1.72 H new ATOM 0 HG23 VAL A 32 49.654 48.015 -42.427 1.00 1.72 H new ATOM 530 N PRO A 33 53.623 45.914 -43.084 1.00 0.67 N ATOM 531 CA PRO A 33 54.077 44.515 -42.962 1.00 0.65 C ATOM 532 C PRO A 33 53.187 43.683 -42.046 1.00 0.67 C ATOM 533 O PRO A 33 52.366 44.194 -41.312 1.00 0.79 O ATOM 534 CB PRO A 33 55.499 44.669 -42.407 1.00 0.82 C ATOM 535 CG PRO A 33 55.797 46.165 -42.209 1.00 0.91 C ATOM 536 CD PRO A 33 54.615 46.973 -42.754 1.00 0.84 C ATOM 0 HA PRO A 33 54.039 43.975 -43.908 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.594 44.137 -41.460 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.222 44.228 -43.094 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.950 46.384 -41.152 1.00 0.91 H new ATOM 0 HG3 PRO A 33 56.715 46.440 -42.728 1.00 0.91 H new ATOM 0 HD2 PRO A 33 54.228 47.675 -42.015 1.00 0.84 H new ATOM 0 HD3 PRO A 33 54.893 47.556 -43.632 1.00 0.84 H new ATOM 544 N VAL A 34 53.345 42.386 -42.117 1.00 0.64 N ATOM 545 CA VAL A 34 52.519 41.477 -41.288 1.00 0.72 C ATOM 546 C VAL A 34 53.244 41.138 -39.985 1.00 0.63 C ATOM 547 O VAL A 34 52.639 40.712 -39.025 1.00 0.79 O ATOM 548 CB VAL A 34 52.309 40.225 -42.148 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.993 40.639 -43.588 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.572 39.362 -42.150 1.00 1.19 C ATOM 0 H VAL A 34 54.020 41.919 -42.723 1.00 0.64 H new ATOM 0 HA VAL A 34 51.569 41.928 -41.003 1.00 0.72 H new ATOM 0 HB VAL A 34 51.481 39.652 -41.731 1.00 0.84 H new ATOM 0 HG11 VAL A 34 51.844 39.748 -44.198 1.00 1.32 H new ATOM 0 HG12 VAL A 34 51.087 41.244 -43.602 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.823 41.220 -43.990 1.00 1.32 H new ATOM 0 HG21 VAL A 34 53.407 38.477 -42.765 1.00 1.19 H new ATOM 0 HG22 VAL A 34 54.404 39.936 -42.557 1.00 1.19 H new ATOM 0 HG23 VAL A 34 53.806 39.057 -41.130 1.00 1.19 H new ATOM 560 N LYS A 35 54.540 41.308 -39.949 1.00 0.46 N ATOM 561 CA LYS A 35 55.292 40.981 -38.708 1.00 0.45 C ATOM 562 C LYS A 35 56.163 42.164 -38.275 1.00 0.39 C ATOM 563 O LYS A 35 56.709 42.884 -39.091 1.00 0.51 O ATOM 564 CB LYS A 35 56.162 39.790 -39.091 1.00 0.59 C ATOM 565 CG LYS A 35 55.314 38.520 -39.108 1.00 0.90 C ATOM 566 CD LYS A 35 56.039 37.414 -38.343 1.00 1.38 C ATOM 567 CE LYS A 35 56.104 36.157 -39.211 1.00 1.90 C ATOM 568 NZ LYS A 35 54.779 35.501 -39.029 1.00 2.50 N ATOM 0 H LYS A 35 55.105 41.658 -40.723 1.00 0.46 H new ATOM 0 HA LYS A 35 54.630 40.761 -37.870 1.00 0.45 H new ATOM 0 HB2 LYS A 35 56.609 39.954 -40.071 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.982 39.682 -38.381 1.00 0.59 H new ATOM 0 HG2 LYS A 35 54.342 38.713 -38.655 1.00 0.90 H new ATOM 0 HG3 LYS A 35 55.130 38.206 -40.136 1.00 0.90 H new ATOM 0 HD2 LYS A 35 57.045 37.739 -38.078 1.00 1.38 H new ATOM 0 HD3 LYS A 35 55.517 37.199 -37.410 1.00 1.38 H new ATOM 0 HE2 LYS A 35 56.281 36.407 -40.257 1.00 1.90 H new ATOM 0 HE3 LYS A 35 56.917 35.501 -38.898 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 54.743 34.628 -39.594 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 54.641 35.269 -38.025 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 54.026 36.147 -39.342 1.00 2.50 H new ATOM 582 N ARG A 36 56.305 42.362 -36.992 1.00 0.34 N ATOM 583 CA ARG A 36 57.147 43.486 -36.483 1.00 0.33 C ATOM 584 C ARG A 36 57.841 43.050 -35.187 1.00 0.36 C ATOM 585 O ARG A 36 57.211 42.917 -34.156 1.00 0.42 O ATOM 586 CB ARG A 36 56.164 44.630 -36.217 1.00 0.37 C ATOM 587 CG ARG A 36 56.444 45.783 -37.187 1.00 0.54 C ATOM 588 CD ARG A 36 56.750 47.052 -36.393 1.00 0.83 C ATOM 589 NE ARG A 36 55.665 48.014 -36.737 1.00 0.89 N ATOM 590 CZ ARG A 36 55.479 48.386 -37.972 1.00 1.07 C ATOM 591 NH1 ARG A 36 56.500 48.563 -38.764 1.00 1.27 N ATOM 592 NH2 ARG A 36 54.267 48.588 -38.412 1.00 1.76 N ATOM 0 H ARG A 36 55.871 41.789 -36.268 1.00 0.34 H new ATOM 0 HA ARG A 36 57.926 43.786 -37.184 1.00 0.33 H new ATOM 0 HB2 ARG A 36 55.139 44.279 -36.340 1.00 0.37 H new ATOM 0 HB3 ARG A 36 56.262 44.975 -35.188 1.00 0.37 H new ATOM 0 HG2 ARG A 36 57.286 45.533 -37.833 1.00 0.54 H new ATOM 0 HG3 ARG A 36 55.582 45.945 -37.835 1.00 0.54 H new ATOM 0 HD2 ARG A 36 56.768 46.849 -35.322 1.00 0.83 H new ATOM 0 HD3 ARG A 36 57.728 47.454 -36.658 1.00 0.83 H new ATOM 0 HE ARG A 36 55.064 48.384 -36.001 1.00 0.89 H new ATOM 0 HH11 ARG A 36 57.447 48.410 -38.417 1.00 1.27 H new ATOM 0 HH12 ARG A 36 56.351 48.854 -39.730 1.00 1.27 H new ATOM 0 HH21 ARG A 36 53.470 48.455 -37.790 1.00 1.76 H new ATOM 0 HH22 ARG A 36 54.117 48.879 -39.378 1.00 1.76 H new ATOM 606 N GLY A 37 59.128 42.800 -35.225 1.00 0.34 N ATOM 607 CA GLY A 37 59.820 42.349 -33.977 1.00 0.39 C ATOM 608 C GLY A 37 61.289 42.797 -33.946 1.00 0.38 C ATOM 609 O GLY A 37 61.676 43.764 -34.571 1.00 0.44 O ATOM 0 H GLY A 37 59.720 42.887 -36.051 1.00 0.34 H new ATOM 0 HA2 GLY A 37 59.299 42.750 -33.107 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.770 41.262 -33.906 1.00 0.39 H new ATOM 613 N CYS A 38 62.106 42.086 -33.203 1.00 0.40 N ATOM 614 CA CYS A 38 63.555 42.445 -33.098 1.00 0.41 C ATOM 615 C CYS A 38 64.428 41.366 -33.731 1.00 0.39 C ATOM 616 O CYS A 38 64.193 40.188 -33.550 1.00 0.42 O ATOM 617 CB CYS A 38 63.856 42.484 -31.601 1.00 0.52 C ATOM 618 SG CYS A 38 62.552 43.355 -30.714 1.00 1.14 S ATOM 0 H CYS A 38 61.828 41.267 -32.662 1.00 0.40 H new ATOM 0 HA CYS A 38 63.759 43.388 -33.605 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.949 41.468 -31.217 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.812 42.978 -31.430 1.00 0.52 H new ATOM 623 N ILE A 39 65.445 41.742 -34.456 1.00 0.38 N ATOM 624 CA ILE A 39 66.315 40.697 -35.059 1.00 0.39 C ATOM 625 C ILE A 39 67.786 40.939 -34.679 1.00 0.43 C ATOM 626 O ILE A 39 68.163 41.993 -34.226 1.00 0.48 O ATOM 627 CB ILE A 39 66.096 40.837 -36.577 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.896 39.982 -36.998 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.344 40.378 -37.340 1.00 0.43 C ATOM 630 CD1 ILE A 39 64.895 39.787 -38.517 1.00 0.42 C ATOM 0 H ILE A 39 65.707 42.708 -34.654 1.00 0.38 H new ATOM 0 HA ILE A 39 66.073 39.694 -34.707 1.00 0.39 H new ATOM 0 HB ILE A 39 65.905 41.884 -36.812 1.00 0.38 H new ATOM 0 HG12 ILE A 39 64.937 39.014 -36.499 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.969 40.463 -36.685 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.174 40.483 -38.412 1.00 0.43 H new ATOM 0 HG22 ILE A 39 68.196 40.991 -37.046 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.550 39.334 -37.106 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.038 39.178 -38.805 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.832 40.758 -39.008 1.00 0.42 H new ATOM 0 HD13 ILE A 39 65.814 39.286 -38.820 1.00 0.42 H new ATOM 642 N ASP A 40 68.614 39.962 -34.877 1.00 0.48 N ATOM 643 CA ASP A 40 70.066 40.123 -34.583 1.00 0.56 C ATOM 644 C ASP A 40 70.791 40.179 -35.929 1.00 0.58 C ATOM 645 O ASP A 40 71.803 40.829 -36.095 1.00 0.67 O ATOM 646 CB ASP A 40 70.483 38.885 -33.782 1.00 0.67 C ATOM 647 CG ASP A 40 69.885 37.620 -34.410 1.00 1.31 C ATOM 648 OD1 ASP A 40 68.685 37.595 -34.630 1.00 1.94 O ATOM 649 OD2 ASP A 40 70.638 36.691 -34.648 1.00 2.02 O ATOM 0 H ASP A 40 68.348 39.044 -35.235 1.00 0.48 H new ATOM 0 HA ASP A 40 70.300 41.024 -34.015 1.00 0.56 H new ATOM 0 HB2 ASP A 40 71.570 38.808 -33.757 1.00 0.67 H new ATOM 0 HB3 ASP A 40 70.147 38.981 -32.750 1.00 0.67 H new ATOM 654 N VAL A 41 70.226 39.509 -36.898 1.00 0.56 N ATOM 655 CA VAL A 41 70.787 39.495 -38.277 1.00 0.63 C ATOM 656 C VAL A 41 69.614 39.553 -39.252 1.00 0.58 C ATOM 657 O VAL A 41 68.733 38.716 -39.226 1.00 0.68 O ATOM 658 CB VAL A 41 71.538 38.172 -38.423 1.00 0.76 C ATOM 659 CG1 VAL A 41 72.977 38.343 -37.933 1.00 1.54 C ATOM 660 CG2 VAL A 41 70.841 37.089 -37.602 1.00 1.57 C ATOM 0 H VAL A 41 69.376 38.957 -36.785 1.00 0.56 H new ATOM 0 HA VAL A 41 71.456 40.333 -38.473 1.00 0.63 H new ATOM 0 HB VAL A 41 71.546 37.877 -39.472 1.00 0.76 H new ATOM 0 HG11 VAL A 41 73.512 37.399 -38.038 1.00 1.54 H new ATOM 0 HG12 VAL A 41 73.475 39.110 -38.527 1.00 1.54 H new ATOM 0 HG13 VAL A 41 72.971 38.643 -36.885 1.00 1.54 H new ATOM 0 HG21 VAL A 41 71.380 36.148 -37.709 1.00 1.57 H new ATOM 0 HG22 VAL A 41 70.826 37.381 -36.552 1.00 1.57 H new ATOM 0 HG23 VAL A 41 69.818 36.964 -37.958 1.00 1.57 H new ATOM 670 N CYS A 42 69.575 40.546 -40.083 1.00 0.72 N ATOM 671 CA CYS A 42 68.431 40.673 -41.030 1.00 0.76 C ATOM 672 C CYS A 42 68.428 39.499 -42.021 1.00 0.76 C ATOM 673 O CYS A 42 69.378 39.307 -42.752 1.00 0.90 O ATOM 674 CB CYS A 42 68.664 42.003 -41.745 1.00 1.00 C ATOM 675 SG CYS A 42 67.066 42.715 -42.207 1.00 1.13 S ATOM 0 H CYS A 42 70.282 41.278 -40.152 1.00 0.72 H new ATOM 0 HA CYS A 42 67.464 40.651 -40.527 1.00 0.76 H new ATOM 0 HB2 CYS A 42 69.208 42.689 -41.095 1.00 1.00 H new ATOM 0 HB3 CYS A 42 69.278 41.850 -42.632 1.00 1.00 H new ATOM 680 N PRO A 43 67.353 38.741 -42.011 1.00 0.70 N ATOM 681 CA PRO A 43 67.234 37.571 -42.911 1.00 0.80 C ATOM 682 C PRO A 43 67.358 37.987 -44.379 1.00 0.89 C ATOM 683 O PRO A 43 67.709 39.108 -44.693 1.00 0.97 O ATOM 684 CB PRO A 43 65.830 37.050 -42.600 1.00 0.80 C ATOM 685 CG PRO A 43 65.196 37.937 -41.517 1.00 0.72 C ATOM 686 CD PRO A 43 66.207 39.011 -41.109 1.00 0.65 C ATOM 0 HA PRO A 43 68.015 36.826 -42.758 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.217 37.059 -43.501 1.00 0.80 H new ATOM 0 HB3 PRO A 43 65.879 36.016 -42.259 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.284 38.400 -41.894 1.00 0.72 H new ATOM 0 HG3 PRO A 43 64.914 37.335 -40.653 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.809 40.016 -41.250 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.489 38.924 -40.060 1.00 0.65 H new ATOM 694 N LYS A 44 67.085 37.084 -45.280 1.00 1.04 N ATOM 695 CA LYS A 44 67.198 37.411 -46.729 1.00 1.19 C ATOM 696 C LYS A 44 65.865 37.917 -47.279 1.00 1.07 C ATOM 697 O LYS A 44 64.813 37.389 -46.973 1.00 1.52 O ATOM 698 CB LYS A 44 67.575 36.089 -47.399 1.00 1.53 C ATOM 699 CG LYS A 44 69.092 35.912 -47.366 1.00 2.08 C ATOM 700 CD LYS A 44 69.595 35.585 -48.772 1.00 2.77 C ATOM 701 CE LYS A 44 70.784 34.625 -48.677 1.00 3.61 C ATOM 702 NZ LYS A 44 70.183 33.300 -48.357 1.00 4.19 N ATOM 0 H LYS A 44 66.787 36.130 -45.074 1.00 1.04 H new ATOM 0 HA LYS A 44 67.931 38.197 -46.911 1.00 1.19 H new ATOM 0 HB2 LYS A 44 67.091 35.258 -46.886 1.00 1.53 H new ATOM 0 HB3 LYS A 44 67.220 36.078 -48.429 1.00 1.53 H new ATOM 0 HG2 LYS A 44 69.568 36.822 -47.000 1.00 2.08 H new ATOM 0 HG3 LYS A 44 69.361 35.112 -46.676 1.00 2.08 H new ATOM 0 HD2 LYS A 44 68.796 35.134 -49.360 1.00 2.77 H new ATOM 0 HD3 LYS A 44 69.892 36.499 -49.286 1.00 2.77 H new ATOM 0 HE2 LYS A 44 71.340 34.591 -49.614 1.00 3.61 H new ATOM 0 HE3 LYS A 44 71.484 34.939 -47.903 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 70.645 32.904 -47.514 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 69.166 33.416 -48.173 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 70.318 32.654 -49.161 1.00 4.19 H new ATOM 716 N SER A 45 65.905 38.924 -48.108 1.00 1.01 N ATOM 717 CA SER A 45 64.647 39.453 -48.700 1.00 0.93 C ATOM 718 C SER A 45 64.250 38.593 -49.900 1.00 0.94 C ATOM 719 O SER A 45 65.075 38.248 -50.724 1.00 1.20 O ATOM 720 CB SER A 45 64.987 40.874 -49.156 1.00 1.04 C ATOM 721 OG SER A 45 64.116 41.800 -48.517 1.00 1.64 O ATOM 0 H SER A 45 66.757 39.403 -48.400 1.00 1.01 H new ATOM 0 HA SER A 45 63.816 39.442 -47.995 1.00 0.93 H new ATOM 0 HB2 SER A 45 66.024 41.107 -48.913 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.888 40.953 -50.239 1.00 1.04 H new ATOM 0 HG SER A 45 64.577 42.212 -47.757 1.00 1.64 H new ATOM 727 N SER A 46 63.001 38.243 -50.013 1.00 0.84 N ATOM 728 CA SER A 46 62.570 37.406 -51.168 1.00 1.02 C ATOM 729 C SER A 46 61.767 38.255 -52.155 1.00 1.10 C ATOM 730 O SER A 46 61.385 39.370 -51.859 1.00 1.66 O ATOM 731 CB SER A 46 61.701 36.307 -50.564 1.00 1.08 C ATOM 732 OG SER A 46 61.760 35.154 -51.395 1.00 1.49 O ATOM 0 H SER A 46 62.261 38.498 -49.359 1.00 0.84 H new ATOM 0 HA SER A 46 63.414 36.991 -51.719 1.00 1.02 H new ATOM 0 HB2 SER A 46 62.047 36.064 -49.559 1.00 1.08 H new ATOM 0 HB3 SER A 46 60.671 36.651 -50.472 1.00 1.08 H new ATOM 0 HG SER A 46 61.204 34.444 -51.010 1.00 1.49 H new ATOM 738 N LEU A 47 61.515 37.742 -53.327 1.00 1.13 N ATOM 739 CA LEU A 47 60.745 38.532 -54.330 1.00 1.25 C ATOM 740 C LEU A 47 59.433 39.031 -53.720 1.00 0.98 C ATOM 741 O LEU A 47 58.980 40.123 -54.001 1.00 1.23 O ATOM 742 CB LEU A 47 60.449 37.553 -55.472 1.00 1.60 C ATOM 743 CG LEU A 47 61.103 38.025 -56.781 1.00 2.09 C ATOM 744 CD1 LEU A 47 60.989 39.547 -56.918 1.00 2.75 C ATOM 745 CD2 LEU A 47 62.578 37.619 -56.787 1.00 2.50 C ATOM 0 H LEU A 47 61.807 36.814 -53.634 1.00 1.13 H new ATOM 0 HA LEU A 47 61.300 39.407 -54.669 1.00 1.25 H new ATOM 0 HB2 LEU A 47 60.820 36.562 -55.212 1.00 1.60 H new ATOM 0 HB3 LEU A 47 59.371 37.464 -55.610 1.00 1.60 H new ATOM 0 HG LEU A 47 60.588 37.559 -57.621 1.00 2.09 H new ATOM 0 HD11 LEU A 47 61.457 39.864 -57.850 1.00 2.75 H new ATOM 0 HD12 LEU A 47 59.937 39.834 -56.924 1.00 2.75 H new ATOM 0 HD13 LEU A 47 61.491 40.027 -56.078 1.00 2.75 H new ATOM 0 HD21 LEU A 47 63.043 37.953 -57.714 1.00 2.50 H new ATOM 0 HD22 LEU A 47 63.086 38.080 -55.940 1.00 2.50 H new ATOM 0 HD23 LEU A 47 62.657 36.535 -56.711 1.00 2.50 H new ATOM 757 N LEU A 48 58.810 38.231 -52.902 1.00 0.79 N ATOM 758 CA LEU A 48 57.517 38.648 -52.293 1.00 0.85 C ATOM 759 C LEU A 48 57.691 39.008 -50.816 1.00 0.71 C ATOM 760 O LEU A 48 57.047 39.894 -50.324 1.00 0.92 O ATOM 761 CB LEU A 48 56.602 37.426 -52.454 1.00 1.16 C ATOM 762 CG LEU A 48 55.627 37.616 -53.631 1.00 1.67 C ATOM 763 CD1 LEU A 48 54.345 38.284 -53.131 1.00 2.36 C ATOM 764 CD2 LEU A 48 56.256 38.486 -54.728 1.00 2.47 C ATOM 0 H LEU A 48 59.140 37.306 -52.628 1.00 0.79 H new ATOM 0 HA LEU A 48 57.108 39.538 -52.771 1.00 0.85 H new ATOM 0 HB2 LEU A 48 57.207 36.534 -52.619 1.00 1.16 H new ATOM 0 HB3 LEU A 48 56.040 37.265 -51.534 1.00 1.16 H new ATOM 0 HG LEU A 48 55.399 36.636 -54.050 1.00 1.67 H new ATOM 0 HD11 LEU A 48 53.656 38.418 -53.965 1.00 2.36 H new ATOM 0 HD12 LEU A 48 53.879 37.655 -52.372 1.00 2.36 H new ATOM 0 HD13 LEU A 48 54.585 39.256 -52.699 1.00 2.36 H new ATOM 0 HD21 LEU A 48 55.548 38.606 -55.548 1.00 2.47 H new ATOM 0 HD22 LEU A 48 56.505 39.465 -54.318 1.00 2.47 H new ATOM 0 HD23 LEU A 48 57.162 38.006 -55.098 1.00 2.47 H new ATOM 776 N VAL A 49 58.543 38.342 -50.094 1.00 0.54 N ATOM 777 CA VAL A 49 58.694 38.699 -48.652 1.00 0.49 C ATOM 778 C VAL A 49 59.878 39.659 -48.453 1.00 0.42 C ATOM 779 O VAL A 49 60.846 39.628 -49.185 1.00 0.58 O ATOM 780 CB VAL A 49 58.888 37.356 -47.926 1.00 0.65 C ATOM 781 CG1 VAL A 49 60.338 37.186 -47.459 1.00 0.99 C ATOM 782 CG2 VAL A 49 57.958 37.306 -46.712 1.00 1.13 C ATOM 0 H VAL A 49 59.133 37.580 -50.427 1.00 0.54 H new ATOM 0 HA VAL A 49 57.828 39.229 -48.255 1.00 0.49 H new ATOM 0 HB VAL A 49 58.653 36.549 -48.620 1.00 0.65 H new ATOM 0 HG11 VAL A 49 60.446 36.229 -46.949 1.00 0.99 H new ATOM 0 HG12 VAL A 49 61.004 37.215 -48.322 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.596 37.993 -46.774 1.00 0.99 H new ATOM 0 HG21 VAL A 49 58.089 36.357 -46.192 1.00 1.13 H new ATOM 0 HG22 VAL A 49 58.198 38.127 -46.036 1.00 1.13 H new ATOM 0 HG23 VAL A 49 56.923 37.399 -47.042 1.00 1.13 H new ATOM 792 N LYS A 50 59.798 40.517 -47.468 1.00 0.40 N ATOM 793 CA LYS A 50 60.907 41.484 -47.220 1.00 0.42 C ATOM 794 C LYS A 50 61.255 41.531 -45.729 1.00 0.44 C ATOM 795 O LYS A 50 60.394 41.436 -44.888 1.00 0.55 O ATOM 796 CB LYS A 50 60.348 42.837 -47.666 1.00 0.57 C ATOM 797 CG LYS A 50 61.154 43.366 -48.852 1.00 1.02 C ATOM 798 CD LYS A 50 62.064 44.505 -48.389 1.00 1.41 C ATOM 799 CE LYS A 50 62.863 45.031 -49.584 1.00 1.74 C ATOM 800 NZ LYS A 50 63.875 43.975 -49.878 1.00 2.40 N ATOM 0 H LYS A 50 59.010 40.589 -46.824 1.00 0.40 H new ATOM 0 HA LYS A 50 61.817 41.209 -47.753 1.00 0.42 H new ATOM 0 HB2 LYS A 50 59.299 42.733 -47.945 1.00 0.57 H new ATOM 0 HB3 LYS A 50 60.390 43.548 -46.841 1.00 0.57 H new ATOM 0 HG2 LYS A 50 61.751 42.564 -49.285 1.00 1.02 H new ATOM 0 HG3 LYS A 50 60.481 43.720 -49.633 1.00 1.02 H new ATOM 0 HD2 LYS A 50 61.469 45.307 -47.953 1.00 1.41 H new ATOM 0 HD3 LYS A 50 62.741 44.152 -47.611 1.00 1.41 H new ATOM 0 HE2 LYS A 50 62.216 45.205 -50.444 1.00 1.74 H new ATOM 0 HE3 LYS A 50 63.343 45.981 -49.349 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 64.820 44.406 -49.936 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 63.865 43.264 -49.119 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 63.647 43.518 -50.784 1.00 2.40 H new ATOM 814 N TYR A 51 62.508 41.699 -45.397 1.00 0.44 N ATOM 815 CA TYR A 51 62.894 41.781 -43.955 1.00 0.52 C ATOM 816 C TYR A 51 63.780 43.003 -43.728 1.00 0.45 C ATOM 817 O TYR A 51 64.972 42.954 -43.949 1.00 0.59 O ATOM 818 CB TYR A 51 63.714 40.528 -43.646 1.00 0.73 C ATOM 819 CG TYR A 51 62.877 39.281 -43.760 1.00 0.50 C ATOM 820 CD1 TYR A 51 62.147 38.815 -42.659 1.00 0.82 C ATOM 821 CD2 TYR A 51 62.862 38.569 -44.961 1.00 0.69 C ATOM 822 CE1 TYR A 51 61.400 37.634 -42.766 1.00 1.19 C ATOM 823 CE2 TYR A 51 62.113 37.394 -45.070 1.00 0.76 C ATOM 824 CZ TYR A 51 61.385 36.923 -43.972 1.00 1.05 C ATOM 825 OH TYR A 51 60.652 35.761 -44.077 1.00 1.47 O ATOM 0 H TYR A 51 63.280 41.783 -46.059 1.00 0.44 H new ATOM 0 HA TYR A 51 62.009 41.857 -43.323 1.00 0.52 H new ATOM 0 HB2 TYR A 51 64.558 40.465 -44.333 1.00 0.73 H new ATOM 0 HB3 TYR A 51 64.126 40.600 -42.640 1.00 0.73 H new ATOM 0 HD1 TYR A 51 62.160 39.365 -41.729 1.00 0.82 H new ATOM 0 HD2 TYR A 51 63.430 38.927 -45.807 1.00 0.69 H new ATOM 0 HE1 TYR A 51 60.836 37.273 -41.919 1.00 1.19 H new ATOM 0 HE2 TYR A 51 62.096 36.849 -46.002 1.00 0.76 H new ATOM 0 HH TYR A 51 60.749 35.394 -44.980 1.00 1.47 H new ATOM 835 N VAL A 52 63.233 44.092 -43.277 1.00 0.44 N ATOM 836 CA VAL A 52 64.096 45.280 -43.034 1.00 0.49 C ATOM 837 C VAL A 52 64.429 45.364 -41.548 1.00 0.43 C ATOM 838 O VAL A 52 63.555 45.408 -40.704 1.00 0.56 O ATOM 839 CB VAL A 52 63.286 46.486 -43.487 1.00 0.69 C ATOM 840 CG1 VAL A 52 64.170 47.730 -43.413 1.00 1.02 C ATOM 841 CG2 VAL A 52 62.829 46.268 -44.930 1.00 0.82 C ATOM 0 H VAL A 52 62.242 44.213 -43.068 1.00 0.44 H new ATOM 0 HA VAL A 52 65.040 45.228 -43.576 1.00 0.49 H new ATOM 0 HB VAL A 52 62.414 46.616 -42.846 1.00 0.69 H new ATOM 0 HG11 VAL A 52 63.600 48.601 -43.736 1.00 1.02 H new ATOM 0 HG12 VAL A 52 64.507 47.876 -42.387 1.00 1.02 H new ATOM 0 HG13 VAL A 52 65.035 47.601 -44.064 1.00 1.02 H new ATOM 0 HG21 VAL A 52 62.248 47.128 -45.262 1.00 0.82 H new ATOM 0 HG22 VAL A 52 63.701 46.149 -45.574 1.00 0.82 H new ATOM 0 HG23 VAL A 52 62.212 45.371 -44.985 1.00 0.82 H new ATOM 851 N CYS A 53 65.689 45.360 -41.222 1.00 0.44 N ATOM 852 CA CYS A 53 66.086 45.409 -39.786 1.00 0.47 C ATOM 853 C CYS A 53 67.062 46.560 -39.540 1.00 0.46 C ATOM 854 O CYS A 53 68.083 46.674 -40.190 1.00 0.68 O ATOM 855 CB CYS A 53 66.775 44.063 -39.492 1.00 0.73 C ATOM 856 SG CYS A 53 66.021 42.729 -40.473 1.00 1.39 S ATOM 0 H CYS A 53 66.463 45.325 -41.886 1.00 0.44 H new ATOM 0 HA CYS A 53 65.222 45.571 -39.141 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.838 44.135 -39.722 1.00 0.73 H new ATOM 0 HB3 CYS A 53 66.694 43.831 -38.430 1.00 0.73 H new ATOM 861 N CYS A 54 66.771 47.393 -38.583 1.00 0.39 N ATOM 862 CA CYS A 54 67.708 48.520 -38.270 1.00 0.51 C ATOM 863 C CYS A 54 68.328 48.279 -36.896 1.00 0.48 C ATOM 864 O CYS A 54 67.641 47.945 -35.958 1.00 0.46 O ATOM 865 CB CYS A 54 66.882 49.820 -38.284 1.00 0.68 C ATOM 866 SG CYS A 54 65.217 49.540 -37.630 1.00 1.08 S ATOM 0 H CYS A 54 65.932 47.348 -38.004 1.00 0.39 H new ATOM 0 HA CYS A 54 68.515 48.590 -38.999 1.00 0.51 H new ATOM 0 HB2 CYS A 54 67.386 50.582 -37.689 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.817 50.202 -39.303 1.00 0.68 H new ATOM 871 N ASN A 55 69.616 48.455 -36.767 1.00 0.52 N ATOM 872 CA ASN A 55 70.283 48.215 -35.446 1.00 0.55 C ATOM 873 C ASN A 55 70.273 49.503 -34.657 1.00 0.54 C ATOM 874 O ASN A 55 71.253 50.221 -34.578 1.00 0.61 O ATOM 875 CB ASN A 55 71.739 47.781 -35.718 1.00 0.67 C ATOM 876 CG ASN A 55 71.971 47.481 -37.203 1.00 1.48 C ATOM 877 OD1 ASN A 55 71.872 46.349 -37.630 1.00 2.23 O ATOM 878 ND2 ASN A 55 72.276 48.462 -38.010 1.00 2.32 N ATOM 0 H ASN A 55 70.239 48.755 -37.517 1.00 0.52 H new ATOM 0 HA ASN A 55 69.763 47.442 -34.880 1.00 0.55 H new ATOM 0 HB2 ASN A 55 72.420 48.568 -35.395 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.972 46.895 -35.127 1.00 0.67 H new ATOM 0 HD21 ASN A 55 72.431 48.278 -39.001 1.00 2.32 H new ATOM 0 HD22 ASN A 55 72.359 49.412 -37.649 1.00 2.32 H new ATOM 885 N THR A 56 69.156 49.802 -34.083 1.00 0.49 N ATOM 886 CA THR A 56 69.045 51.066 -33.294 1.00 0.50 C ATOM 887 C THR A 56 68.035 50.928 -32.150 1.00 0.48 C ATOM 888 O THR A 56 67.709 51.900 -31.502 1.00 0.57 O ATOM 889 CB THR A 56 68.600 52.168 -34.277 1.00 0.54 C ATOM 890 OG1 THR A 56 67.278 52.573 -33.960 1.00 1.15 O ATOM 891 CG2 THR A 56 68.649 51.668 -35.726 1.00 1.16 C ATOM 0 H THR A 56 68.310 49.234 -34.119 1.00 0.49 H new ATOM 0 HA THR A 56 70.003 51.309 -32.835 1.00 0.50 H new ATOM 0 HB THR A 56 69.283 53.012 -34.183 1.00 0.54 H new ATOM 0 HG1 THR A 56 66.993 53.275 -34.582 1.00 1.15 H new ATOM 0 HG21 THR A 56 68.330 52.466 -36.397 1.00 1.16 H new ATOM 0 HG22 THR A 56 69.668 51.371 -35.974 1.00 1.16 H new ATOM 0 HG23 THR A 56 67.984 50.812 -35.838 1.00 1.16 H new ATOM 899 N ASP A 57 67.529 49.745 -31.900 1.00 0.58 N ATOM 900 CA ASP A 57 66.535 49.580 -30.793 1.00 0.60 C ATOM 901 C ASP A 57 65.300 50.440 -31.079 1.00 0.59 C ATOM 902 O ASP A 57 65.401 51.634 -31.277 1.00 0.72 O ATOM 903 CB ASP A 57 67.270 50.061 -29.536 1.00 0.71 C ATOM 904 CG ASP A 57 66.281 50.210 -28.379 1.00 0.95 C ATOM 905 OD1 ASP A 57 65.285 50.891 -28.559 1.00 1.70 O ATOM 906 OD2 ASP A 57 66.543 49.651 -27.327 1.00 1.47 O ATOM 0 H ASP A 57 67.759 48.892 -32.410 1.00 0.58 H new ATOM 0 HA ASP A 57 66.184 48.554 -30.682 1.00 0.60 H new ATOM 0 HB2 ASP A 57 68.052 49.351 -29.268 1.00 0.71 H new ATOM 0 HB3 ASP A 57 67.759 51.015 -29.733 1.00 0.71 H new ATOM 911 N ARG A 58 64.132 49.850 -31.121 1.00 0.56 N ATOM 912 CA ARG A 58 62.925 50.674 -31.415 1.00 0.61 C ATOM 913 C ARG A 58 63.184 51.452 -32.706 1.00 0.60 C ATOM 914 O ARG A 58 63.405 52.646 -32.688 1.00 0.87 O ATOM 915 CB ARG A 58 62.817 51.614 -30.217 1.00 0.73 C ATOM 916 CG ARG A 58 61.941 50.955 -29.144 1.00 0.93 C ATOM 917 CD ARG A 58 60.500 51.502 -29.170 1.00 1.16 C ATOM 918 NE ARG A 58 60.301 52.154 -30.498 1.00 1.10 N ATOM 919 CZ ARG A 58 59.908 53.398 -30.554 1.00 1.34 C ATOM 920 NH1 ARG A 58 58.982 53.826 -29.740 1.00 1.52 N ATOM 921 NH2 ARG A 58 60.442 54.214 -31.421 1.00 1.91 N ATOM 0 H ARG A 58 63.965 48.855 -30.968 1.00 0.56 H new ATOM 0 HA ARG A 58 62.010 50.098 -31.554 1.00 0.61 H new ATOM 0 HB2 ARG A 58 63.808 51.828 -29.815 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.385 52.567 -30.523 1.00 0.73 H new ATOM 0 HG2 ARG A 58 61.924 49.876 -29.300 1.00 0.93 H new ATOM 0 HG3 ARG A 58 62.378 51.128 -28.161 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.780 50.697 -29.025 1.00 1.16 H new ATOM 0 HD3 ARG A 58 60.345 52.218 -28.363 1.00 1.16 H new ATOM 0 HE ARG A 58 60.471 51.631 -31.357 1.00 1.10 H new ATOM 0 HH11 ARG A 58 58.566 53.189 -29.061 1.00 1.52 H new ATOM 0 HH12 ARG A 58 58.674 54.798 -29.783 1.00 1.52 H new ATOM 0 HH21 ARG A 58 61.167 53.880 -32.056 1.00 1.91 H new ATOM 0 HH22 ARG A 58 60.134 55.185 -31.464 1.00 1.91 H new ATOM 935 N CYS A 59 63.209 50.778 -33.830 1.00 0.44 N ATOM 936 CA CYS A 59 63.514 51.493 -35.102 1.00 0.47 C ATOM 937 C CYS A 59 62.805 50.861 -36.314 1.00 0.60 C ATOM 938 O CYS A 59 63.059 51.235 -37.440 1.00 1.14 O ATOM 939 CB CYS A 59 65.032 51.358 -35.230 1.00 0.42 C ATOM 940 SG CYS A 59 65.448 49.643 -35.630 1.00 0.84 S ATOM 0 H CYS A 59 63.034 49.777 -33.919 1.00 0.44 H new ATOM 0 HA CYS A 59 63.168 52.526 -35.083 1.00 0.47 H new ATOM 0 HB2 CYS A 59 65.404 52.025 -36.008 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.515 51.654 -34.299 1.00 0.42 H new ATOM 945 N ASN A 60 61.917 49.919 -36.110 1.00 0.52 N ATOM 946 CA ASN A 60 61.212 49.309 -37.285 1.00 0.55 C ATOM 947 C ASN A 60 59.744 49.733 -37.301 1.00 0.71 C ATOM 948 O ASN A 60 59.440 50.769 -36.735 1.00 1.39 O ATOM 949 CB ASN A 60 61.323 47.790 -37.112 1.00 0.41 C ATOM 950 CG ASN A 60 60.477 47.335 -35.920 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.380 48.030 -34.928 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.876 46.175 -35.966 1.00 0.40 N ATOM 953 OXT ASN A 60 58.947 49.012 -37.882 1.00 1.25 O ATOM 0 H ASN A 60 61.651 49.549 -35.197 1.00 0.52 H new ATOM 0 HA ASN A 60 61.656 49.635 -38.226 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.988 47.287 -38.019 1.00 0.41 H new ATOM 0 HB3 ASN A 60 62.365 47.509 -36.958 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.326 45.854 -35.169 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.957 45.591 -36.799 1.00 0.40 H new TER 960 ASN A 60