USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 617 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 0.63 (180deg=0.509) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.0827 USER MOD Single : A 11 GLN : amide:sc= -0.0956 K(o=-0.096,f=-0.91) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0348 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0.695 (180deg=0.68) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -0.0289 (180deg=-0.254) USER MOD Single : A 19 HIS : no HD1:sc= 0.879 K(o=0.88,f=-4.9!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -139:sc= -1.28 (180deg=-2.26) USER MOD Single : A 31 MET CE :methyl -135:sc= -4.45! (180deg=-7.34!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.383 USER MOD Single : A 37 CYS SG : rot -75:sc= 1 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.16) USER MOD Single : A 54 ASN : amide:sc= 0.969 K(o=0.97,f=-0.76) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 42:sc= 0.239 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -2.939 5.038 9.628 1.00 4.23 N ATOM 19 CA PHE A 2 -3.237 3.764 8.996 1.00 42.10 C ATOM 20 C PHE A 2 -2.114 3.404 8.033 1.00 52.31 C ATOM 21 O PHE A 2 -1.768 4.182 7.146 1.00 70.31 O ATOM 22 CB PHE A 2 -4.583 3.808 8.260 1.00 51.14 C ATOM 23 CG PHE A 2 -5.055 2.456 7.792 1.00 25.22 C ATOM 24 CD1 PHE A 2 -5.765 1.626 8.644 1.00 74.21 C ATOM 25 CD2 PHE A 2 -4.782 2.009 6.509 1.00 22.31 C ATOM 26 CE1 PHE A 2 -6.197 0.381 8.227 1.00 62.01 C ATOM 27 CE2 PHE A 2 -5.211 0.763 6.085 1.00 40.43 C ATOM 28 CZ PHE A 2 -5.917 -0.053 6.947 1.00 43.11 C ATOM 0 HA PHE A 2 -3.312 3.000 9.770 1.00 42.10 H new ATOM 0 HB2 PHE A 2 -5.336 4.238 8.921 1.00 51.14 H new ATOM 0 HB3 PHE A 2 -4.497 4.472 7.400 1.00 51.14 H new ATOM 0 HD1 PHE A 2 -5.984 1.956 9.649 1.00 74.21 H new ATOM 0 HD2 PHE A 2 -4.227 2.641 5.831 1.00 22.31 H new ATOM 0 HE1 PHE A 2 -6.753 -0.252 8.902 1.00 62.01 H new ATOM 0 HE2 PHE A 2 -4.994 0.429 5.081 1.00 40.43 H new ATOM 0 HZ PHE A 2 -6.249 -1.028 6.621 1.00 43.11 H new ATOM 38 N SER A 3 -1.534 2.237 8.225 1.00 13.53 N ATOM 39 CA SER A 3 -0.405 1.813 7.420 1.00 34.51 C ATOM 40 C SER A 3 -0.830 0.752 6.415 1.00 72.40 C ATOM 41 O SER A 3 -1.738 -0.035 6.680 1.00 1.34 O ATOM 42 CB SER A 3 0.694 1.267 8.330 1.00 11.30 C ATOM 43 OG SER A 3 0.972 2.178 9.378 1.00 44.54 O ATOM 0 H SER A 3 -1.826 1.563 8.933 1.00 13.53 H new ATOM 0 HA SER A 3 -0.024 2.672 6.867 1.00 34.51 H new ATOM 0 HB2 SER A 3 0.386 0.308 8.747 1.00 11.30 H new ATOM 0 HB3 SER A 3 1.598 1.086 7.749 1.00 11.30 H new ATOM 0 HG SER A 3 1.677 1.811 9.952 1.00 44.54 H new ATOM 49 N LEU A 4 -0.166 0.734 5.266 1.00 71.42 N ATOM 50 CA LEU A 4 -0.415 -0.284 4.251 1.00 52.02 C ATOM 51 C LEU A 4 -0.054 -1.660 4.802 1.00 61.20 C ATOM 52 O LEU A 4 -0.587 -2.680 4.376 1.00 15.33 O ATOM 53 CB LEU A 4 0.396 0.017 2.988 1.00 14.44 C ATOM 54 CG LEU A 4 0.105 -0.890 1.791 1.00 0.22 C ATOM 55 CD1 LEU A 4 -1.351 -0.768 1.368 1.00 43.02 C ATOM 56 CD2 LEU A 4 1.025 -0.543 0.633 1.00 31.01 C ATOM 0 H LEU A 4 0.551 1.414 5.013 1.00 71.42 H new ATOM 0 HA LEU A 4 -1.473 -0.275 3.989 1.00 52.02 H new ATOM 0 HB2 LEU A 4 0.209 1.050 2.694 1.00 14.44 H new ATOM 0 HB3 LEU A 4 1.456 -0.058 3.230 1.00 14.44 H new ATOM 0 HG LEU A 4 0.290 -1.923 2.086 1.00 0.22 H new ATOM 0 HD11 LEU A 4 -1.538 -1.421 0.515 1.00 43.02 H new ATOM 0 HD12 LEU A 4 -1.996 -1.060 2.197 1.00 43.02 H new ATOM 0 HD13 LEU A 4 -1.563 0.264 1.088 1.00 43.02 H new ATOM 0 HD21 LEU A 4 0.808 -1.196 -0.213 1.00 31.01 H new ATOM 0 HD22 LEU A 4 0.866 0.495 0.340 1.00 31.01 H new ATOM 0 HD23 LEU A 4 2.062 -0.679 0.939 1.00 31.01 H new ATOM 68 N ARG A 5 0.853 -1.657 5.772 1.00 52.43 N ATOM 69 CA ARG A 5 1.247 -2.855 6.503 1.00 11.55 C ATOM 70 C ARG A 5 0.048 -3.499 7.201 1.00 20.31 C ATOM 71 O ARG A 5 0.053 -4.693 7.506 1.00 24.41 O ATOM 72 CB ARG A 5 2.273 -2.464 7.562 1.00 51.44 C ATOM 73 CG ARG A 5 2.886 -3.630 8.314 1.00 5.13 C ATOM 74 CD ARG A 5 3.385 -3.188 9.680 1.00 30.23 C ATOM 75 NE ARG A 5 4.315 -4.145 10.278 1.00 22.15 N ATOM 76 CZ ARG A 5 3.954 -5.301 10.836 1.00 55.22 C ATOM 77 NH1 ARG A 5 2.675 -5.664 10.863 1.00 0.13 N ATOM 78 NH2 ARG A 5 4.872 -6.090 11.376 1.00 74.11 N ATOM 0 H ARG A 5 1.340 -0.814 6.076 1.00 52.43 H new ATOM 0 HA ARG A 5 1.663 -3.572 5.795 1.00 11.55 H new ATOM 0 HB2 ARG A 5 3.072 -1.899 7.082 1.00 51.44 H new ATOM 0 HB3 ARG A 5 1.797 -1.796 8.280 1.00 51.44 H new ATOM 0 HG2 ARG A 5 2.147 -4.422 8.431 1.00 5.13 H new ATOM 0 HG3 ARG A 5 3.712 -4.047 7.737 1.00 5.13 H new ATOM 0 HD2 ARG A 5 3.877 -2.220 9.587 1.00 30.23 H new ATOM 0 HD3 ARG A 5 2.533 -3.050 10.346 1.00 30.23 H new ATOM 0 HE ARG A 5 5.308 -3.912 10.268 1.00 22.15 H new ATOM 0 HH11 ARG A 5 1.964 -5.057 10.455 1.00 0.13 H new ATOM 0 HH12 ARG A 5 2.405 -6.550 11.291 1.00 0.13 H new ATOM 0 HH21 ARG A 5 5.854 -5.813 11.364 1.00 74.11 H new ATOM 0 HH22 ARG A 5 4.597 -6.974 11.803 1.00 74.11 H new ATOM 92 N ASP A 6 -0.972 -2.697 7.468 1.00 45.35 N ATOM 93 CA ASP A 6 -2.101 -3.146 8.267 1.00 44.30 C ATOM 94 C ASP A 6 -3.372 -3.194 7.430 1.00 3.34 C ATOM 95 O ASP A 6 -4.472 -3.400 7.948 1.00 0.42 O ATOM 96 CB ASP A 6 -2.280 -2.218 9.462 1.00 41.12 C ATOM 97 CG ASP A 6 -3.122 -2.841 10.553 1.00 53.12 C ATOM 98 OD1 ASP A 6 -4.222 -2.323 10.827 1.00 73.33 O ATOM 99 OD2 ASP A 6 -2.691 -3.862 11.130 1.00 31.14 O ATOM 0 H ASP A 6 -1.041 -1.733 7.143 1.00 45.35 H new ATOM 0 HA ASP A 6 -1.901 -4.156 8.626 1.00 44.30 H new ATOM 0 HB2 ASP A 6 -1.302 -1.957 9.866 1.00 41.12 H new ATOM 0 HB3 ASP A 6 -2.747 -1.290 9.132 1.00 41.12 H new ATOM 105 N ALA A 7 -3.209 -2.998 6.134 1.00 23.34 N ATOM 106 CA ALA A 7 -4.317 -3.104 5.200 1.00 73.25 C ATOM 107 C ALA A 7 -4.707 -4.565 5.022 1.00 14.31 C ATOM 108 O ALA A 7 -3.865 -5.411 4.730 1.00 44.54 O ATOM 109 CB ALA A 7 -3.952 -2.478 3.862 1.00 23.14 C ATOM 0 H ALA A 7 -2.315 -2.763 5.702 1.00 23.34 H new ATOM 0 HA ALA A 7 -5.171 -2.560 5.604 1.00 73.25 H new ATOM 0 HB1 ALA A 7 -4.795 -2.568 3.176 1.00 23.14 H new ATOM 0 HB2 ALA A 7 -3.712 -1.425 4.007 1.00 23.14 H new ATOM 0 HB3 ALA A 7 -3.087 -2.993 3.443 1.00 23.14 H new ATOM 115 N LYS A 8 -5.983 -4.857 5.218 1.00 60.23 N ATOM 116 CA LYS A 8 -6.465 -6.229 5.167 1.00 62.55 C ATOM 117 C LYS A 8 -6.610 -6.712 3.728 1.00 50.34 C ATOM 118 O LYS A 8 -6.748 -5.912 2.800 1.00 71.42 O ATOM 119 CB LYS A 8 -7.799 -6.365 5.913 1.00 34.44 C ATOM 120 CG LYS A 8 -7.658 -6.436 7.430 1.00 30.01 C ATOM 121 CD LYS A 8 -7.142 -5.136 8.027 1.00 43.42 C ATOM 122 CE LYS A 8 -6.784 -5.307 9.494 1.00 3.53 C ATOM 123 NZ LYS A 8 -6.244 -4.055 10.088 1.00 3.44 N ATOM 0 H LYS A 8 -6.704 -4.163 5.414 1.00 60.23 H new ATOM 0 HA LYS A 8 -5.724 -6.858 5.661 1.00 62.55 H new ATOM 0 HB2 LYS A 8 -8.435 -5.517 5.657 1.00 34.44 H new ATOM 0 HB3 LYS A 8 -8.309 -7.263 5.564 1.00 34.44 H new ATOM 0 HG2 LYS A 8 -8.625 -6.676 7.871 1.00 30.01 H new ATOM 0 HG3 LYS A 8 -6.978 -7.247 7.691 1.00 30.01 H new ATOM 0 HD2 LYS A 8 -6.265 -4.802 7.473 1.00 43.42 H new ATOM 0 HD3 LYS A 8 -7.900 -4.359 7.923 1.00 43.42 H new ATOM 0 HE2 LYS A 8 -7.669 -5.618 10.049 1.00 3.53 H new ATOM 0 HE3 LYS A 8 -6.047 -6.104 9.596 1.00 3.53 H new ATOM 0 HZ1 LYS A 8 -5.812 -4.266 11.010 1.00 3.44 H new ATOM 0 HZ2 LYS A 8 -5.526 -3.651 9.453 1.00 3.44 H new ATOM 0 HZ3 LYS A 8 -7.016 -3.371 10.217 1.00 3.44 H new ATOM 137 N CYS A 9 -6.576 -8.023 3.549 1.00 24.01 N ATOM 138 CA CYS A 9 -6.687 -8.615 2.227 1.00 1.01 C ATOM 139 C CYS A 9 -8.094 -8.425 1.659 1.00 63.43 C ATOM 140 O CYS A 9 -9.090 -8.705 2.326 1.00 2.35 O ATOM 141 CB CYS A 9 -6.323 -10.102 2.281 1.00 23.33 C ATOM 142 SG CYS A 9 -7.174 -11.039 3.575 1.00 1.14 S ATOM 0 H CYS A 9 -6.472 -8.699 4.306 1.00 24.01 H new ATOM 0 HA CYS A 9 -5.986 -8.108 1.564 1.00 1.01 H new ATOM 0 HB2 CYS A 9 -6.550 -10.553 1.315 1.00 23.33 H new ATOM 0 HB3 CYS A 9 -5.247 -10.194 2.432 1.00 23.33 H new ATOM 0 HG CYS A 9 -6.796 -12.282 3.531 1.00 1.14 H new ATOM 148 N GLY A 10 -8.168 -7.935 0.428 1.00 61.52 N ATOM 149 CA GLY A 10 -9.453 -7.691 -0.199 1.00 42.22 C ATOM 150 C GLY A 10 -9.897 -6.247 -0.054 1.00 75.50 C ATOM 151 O GLY A 10 -11.009 -5.886 -0.446 1.00 21.41 O ATOM 0 H GLY A 10 -7.360 -7.702 -0.148 1.00 61.52 H new ATOM 0 HA2 GLY A 10 -9.393 -7.946 -1.257 1.00 42.22 H new ATOM 0 HA3 GLY A 10 -10.202 -8.346 0.245 1.00 42.22 H new ATOM 155 N GLN A 11 -9.032 -5.421 0.519 1.00 0.13 N ATOM 156 CA GLN A 11 -9.339 -4.011 0.711 1.00 2.32 C ATOM 157 C GLN A 11 -8.787 -3.174 -0.433 1.00 3.54 C ATOM 158 O GLN A 11 -7.850 -3.580 -1.125 1.00 13.31 O ATOM 159 CB GLN A 11 -8.759 -3.500 2.034 1.00 22.33 C ATOM 160 CG GLN A 11 -9.308 -4.199 3.270 1.00 1.32 C ATOM 161 CD GLN A 11 -10.814 -4.095 3.381 1.00 11.31 C ATOM 162 OE1 GLN A 11 -11.420 -3.136 2.907 1.00 45.04 O ATOM 163 NE2 GLN A 11 -11.427 -5.083 4.008 1.00 12.13 N ATOM 0 H GLN A 11 -8.113 -5.703 0.859 1.00 0.13 H new ATOM 0 HA GLN A 11 -10.424 -3.914 0.734 1.00 2.32 H new ATOM 0 HB2 GLN A 11 -7.676 -3.621 2.013 1.00 22.33 H new ATOM 0 HB3 GLN A 11 -8.959 -2.432 2.116 1.00 22.33 H new ATOM 0 HG2 GLN A 11 -9.022 -5.250 3.245 1.00 1.32 H new ATOM 0 HG3 GLN A 11 -8.852 -3.766 4.160 1.00 1.32 H new ATOM 0 HE21 GLN A 11 -10.886 -5.860 4.387 1.00 12.13 H new ATOM 0 HE22 GLN A 11 -12.441 -5.069 4.113 1.00 12.13 H new ATOM 172 N THR A 12 -9.386 -2.014 -0.630 1.00 61.04 N ATOM 173 CA THR A 12 -8.894 -1.038 -1.585 1.00 45.13 C ATOM 174 C THR A 12 -8.530 0.244 -0.846 1.00 13.25 C ATOM 175 O THR A 12 -9.397 0.906 -0.274 1.00 51.55 O ATOM 176 CB THR A 12 -9.949 -0.730 -2.662 1.00 53.11 C ATOM 177 OG1 THR A 12 -10.405 -1.955 -3.256 1.00 54.13 O ATOM 178 CG2 THR A 12 -9.379 0.181 -3.742 1.00 21.04 C ATOM 0 H THR A 12 -10.227 -1.722 -0.133 1.00 61.04 H new ATOM 0 HA THR A 12 -8.015 -1.451 -2.080 1.00 45.13 H new ATOM 0 HB THR A 12 -10.785 -0.217 -2.186 1.00 53.11 H new ATOM 0 HG1 THR A 12 -11.078 -1.756 -3.940 1.00 54.13 H new ATOM 0 HG21 THR A 12 -10.146 0.382 -4.490 1.00 21.04 H new ATOM 0 HG22 THR A 12 -9.055 1.120 -3.293 1.00 21.04 H new ATOM 0 HG23 THR A 12 -8.528 -0.306 -4.217 1.00 21.04 H new ATOM 186 N VAL A 13 -7.252 0.582 -0.839 1.00 60.21 N ATOM 187 CA VAL A 13 -6.779 1.722 -0.068 1.00 71.15 C ATOM 188 C VAL A 13 -6.250 2.826 -0.973 1.00 63.05 C ATOM 189 O VAL A 13 -5.963 2.601 -2.146 1.00 34.01 O ATOM 190 CB VAL A 13 -5.675 1.316 0.930 1.00 44.15 C ATOM 191 CG1 VAL A 13 -6.215 0.334 1.959 1.00 42.33 C ATOM 192 CG2 VAL A 13 -4.478 0.725 0.203 1.00 65.03 C ATOM 0 H VAL A 13 -6.525 0.087 -1.356 1.00 60.21 H new ATOM 0 HA VAL A 13 -7.639 2.096 0.488 1.00 71.15 H new ATOM 0 HB VAL A 13 -5.345 2.214 1.453 1.00 44.15 H new ATOM 0 HG11 VAL A 13 -5.420 0.061 2.653 1.00 42.33 H new ATOM 0 HG12 VAL A 13 -7.034 0.797 2.509 1.00 42.33 H new ATOM 0 HG13 VAL A 13 -6.578 -0.560 1.453 1.00 42.33 H new ATOM 0 HG21 VAL A 13 -3.713 0.447 0.928 1.00 65.03 H new ATOM 0 HG22 VAL A 13 -4.790 -0.159 -0.353 1.00 65.03 H new ATOM 0 HG23 VAL A 13 -4.071 1.463 -0.488 1.00 65.03 H new ATOM 202 N LYS A 14 -6.136 4.018 -0.412 1.00 13.23 N ATOM 203 CA LYS A 14 -5.631 5.169 -1.128 1.00 75.34 C ATOM 204 C LYS A 14 -4.372 5.685 -0.438 1.00 1.23 C ATOM 205 O LYS A 14 -4.411 6.038 0.739 1.00 73.24 O ATOM 206 CB LYS A 14 -6.709 6.253 -1.156 1.00 63.22 C ATOM 207 CG LYS A 14 -6.351 7.464 -1.996 1.00 22.34 C ATOM 208 CD LYS A 14 -7.347 7.662 -3.124 1.00 61.13 C ATOM 209 CE LYS A 14 -7.227 6.572 -4.175 1.00 23.01 C ATOM 210 NZ LYS A 14 -8.254 6.703 -5.239 1.00 14.43 N ATOM 0 H LYS A 14 -6.393 4.212 0.556 1.00 13.23 H new ATOM 0 HA LYS A 14 -5.379 4.892 -2.152 1.00 75.34 H new ATOM 0 HB2 LYS A 14 -7.634 5.820 -1.538 1.00 63.22 H new ATOM 0 HB3 LYS A 14 -6.907 6.579 -0.135 1.00 63.22 H new ATOM 0 HG2 LYS A 14 -6.329 8.353 -1.366 1.00 22.34 H new ATOM 0 HG3 LYS A 14 -5.350 7.341 -2.409 1.00 22.34 H new ATOM 0 HD2 LYS A 14 -8.359 7.668 -2.719 1.00 61.13 H new ATOM 0 HD3 LYS A 14 -7.183 8.635 -3.588 1.00 61.13 H new ATOM 0 HE2 LYS A 14 -6.234 6.610 -4.624 1.00 23.01 H new ATOM 0 HE3 LYS A 14 -7.324 5.597 -3.697 1.00 23.01 H new ATOM 0 HZ1 LYS A 14 -8.188 5.892 -5.887 1.00 14.43 H new ATOM 0 HZ2 LYS A 14 -9.200 6.726 -4.808 1.00 14.43 H new ATOM 0 HZ3 LYS A 14 -8.094 7.583 -5.769 1.00 14.43 H new ATOM 224 N VAL A 15 -3.261 5.706 -1.162 1.00 35.20 N ATOM 225 CA VAL A 15 -1.988 6.146 -0.597 1.00 14.45 C ATOM 226 C VAL A 15 -2.019 7.641 -0.324 1.00 10.33 C ATOM 227 O VAL A 15 -2.315 8.433 -1.219 1.00 73.24 O ATOM 228 CB VAL A 15 -0.810 5.828 -1.541 1.00 14.43 C ATOM 229 CG1 VAL A 15 0.520 6.241 -0.921 1.00 54.44 C ATOM 230 CG2 VAL A 15 -0.796 4.352 -1.894 1.00 53.33 C ATOM 0 H VAL A 15 -3.213 5.424 -2.141 1.00 35.20 H new ATOM 0 HA VAL A 15 -1.842 5.603 0.337 1.00 14.45 H new ATOM 0 HB VAL A 15 -0.947 6.405 -2.456 1.00 14.43 H new ATOM 0 HG11 VAL A 15 1.331 6.004 -1.609 1.00 54.44 H new ATOM 0 HG12 VAL A 15 0.512 7.313 -0.724 1.00 54.44 H new ATOM 0 HG13 VAL A 15 0.669 5.701 0.014 1.00 54.44 H new ATOM 0 HG21 VAL A 15 0.041 4.145 -2.561 1.00 53.33 H new ATOM 0 HG22 VAL A 15 -0.690 3.761 -0.984 1.00 53.33 H new ATOM 0 HG23 VAL A 15 -1.729 4.088 -2.391 1.00 53.33 H new ATOM 240 N VAL A 16 -1.722 8.029 0.909 1.00 14.13 N ATOM 241 CA VAL A 16 -1.773 9.433 1.286 1.00 10.13 C ATOM 242 C VAL A 16 -0.425 9.950 1.776 1.00 31.30 C ATOM 243 O VAL A 16 -0.021 11.058 1.427 1.00 33.32 O ATOM 244 CB VAL A 16 -2.857 9.706 2.357 1.00 75.22 C ATOM 245 CG1 VAL A 16 -4.247 9.613 1.747 1.00 35.11 C ATOM 246 CG2 VAL A 16 -2.738 8.736 3.522 1.00 75.21 C ATOM 0 H VAL A 16 -1.445 7.396 1.659 1.00 14.13 H new ATOM 0 HA VAL A 16 -2.037 9.975 0.378 1.00 10.13 H new ATOM 0 HB VAL A 16 -2.701 10.717 2.734 1.00 75.22 H new ATOM 0 HG11 VAL A 16 -4.995 9.808 2.515 1.00 35.11 H new ATOM 0 HG12 VAL A 16 -4.345 10.350 0.950 1.00 35.11 H new ATOM 0 HG13 VAL A 16 -4.399 8.614 1.338 1.00 35.11 H new ATOM 0 HG21 VAL A 16 -3.513 8.953 4.257 1.00 75.21 H new ATOM 0 HG22 VAL A 16 -2.858 7.715 3.159 1.00 75.21 H new ATOM 0 HG23 VAL A 16 -1.757 8.843 3.986 1.00 75.21 H new ATOM 256 N LYS A 17 0.273 9.160 2.577 1.00 43.12 N ATOM 257 CA LYS A 17 1.549 9.594 3.131 1.00 3.11 C ATOM 258 C LYS A 17 2.615 8.518 2.958 1.00 13.43 C ATOM 259 O LYS A 17 2.316 7.325 2.947 1.00 73.03 O ATOM 260 CB LYS A 17 1.402 9.941 4.616 1.00 14.35 C ATOM 261 CG LYS A 17 0.415 11.062 4.900 1.00 1.22 C ATOM 262 CD LYS A 17 0.334 11.363 6.387 1.00 64.13 C ATOM 263 CE LYS A 17 -0.696 12.439 6.690 1.00 63.54 C ATOM 264 NZ LYS A 17 -2.063 12.029 6.273 1.00 61.44 N ATOM 0 H LYS A 17 -0.018 8.223 2.857 1.00 43.12 H new ATOM 0 HA LYS A 17 1.861 10.485 2.586 1.00 3.11 H new ATOM 0 HB2 LYS A 17 1.086 9.049 5.156 1.00 14.35 H new ATOM 0 HB3 LYS A 17 2.378 10.223 5.010 1.00 14.35 H new ATOM 0 HG2 LYS A 17 0.717 11.960 4.361 1.00 1.22 H new ATOM 0 HG3 LYS A 17 -0.571 10.784 4.529 1.00 1.22 H new ATOM 0 HD2 LYS A 17 0.078 10.452 6.929 1.00 64.13 H new ATOM 0 HD3 LYS A 17 1.312 11.684 6.747 1.00 64.13 H new ATOM 0 HE2 LYS A 17 -0.692 12.656 7.758 1.00 63.54 H new ATOM 0 HE3 LYS A 17 -0.421 13.360 6.177 1.00 63.54 H new ATOM 0 HZ1 LYS A 17 -2.764 12.658 6.714 1.00 61.44 H new ATOM 0 HZ2 LYS A 17 -2.144 12.093 5.238 1.00 61.44 H new ATOM 0 HZ3 LYS A 17 -2.239 11.049 6.574 1.00 61.44 H new ATOM 278 N LEU A 18 3.859 8.948 2.839 1.00 44.25 N ATOM 279 CA LEU A 18 4.982 8.033 2.705 1.00 12.11 C ATOM 280 C LEU A 18 6.030 8.356 3.769 1.00 41.14 C ATOM 281 O LEU A 18 6.873 9.229 3.579 1.00 34.42 O ATOM 282 CB LEU A 18 5.597 8.127 1.303 1.00 12.44 C ATOM 283 CG LEU A 18 4.687 7.698 0.144 1.00 3.15 C ATOM 284 CD1 LEU A 18 5.386 7.926 -1.187 1.00 30.44 C ATOM 285 CD2 LEU A 18 4.289 6.235 0.292 1.00 63.23 C ATOM 0 H LEU A 18 4.120 9.934 2.832 1.00 44.25 H new ATOM 0 HA LEU A 18 4.626 7.013 2.847 1.00 12.11 H new ATOM 0 HB2 LEU A 18 5.910 9.157 1.132 1.00 12.44 H new ATOM 0 HB3 LEU A 18 6.497 7.513 1.280 1.00 12.44 H new ATOM 0 HG LEU A 18 3.782 8.305 0.170 1.00 3.15 H new ATOM 0 HD11 LEU A 18 4.729 7.617 -2.000 1.00 30.44 H new ATOM 0 HD12 LEU A 18 5.626 8.984 -1.296 1.00 30.44 H new ATOM 0 HD13 LEU A 18 6.305 7.340 -1.220 1.00 30.44 H new ATOM 0 HD21 LEU A 18 3.644 5.948 -0.538 1.00 63.23 H new ATOM 0 HD22 LEU A 18 5.184 5.612 0.289 1.00 63.23 H new ATOM 0 HD23 LEU A 18 3.754 6.097 1.232 1.00 63.23 H new ATOM 297 N HIS A 19 5.969 7.644 4.886 1.00 41.52 N ATOM 298 CA HIS A 19 6.805 7.954 6.049 1.00 24.05 C ATOM 299 C HIS A 19 8.176 7.303 5.951 1.00 45.34 C ATOM 300 O HIS A 19 8.986 7.403 6.874 1.00 72.54 O ATOM 301 CB HIS A 19 6.122 7.493 7.334 1.00 42.35 C ATOM 302 CG HIS A 19 4.869 8.243 7.652 1.00 1.31 C ATOM 303 ND1 HIS A 19 4.831 9.328 8.496 1.00 53.13 N ATOM 304 CD2 HIS A 19 3.599 8.052 7.233 1.00 64.21 C ATOM 305 CE1 HIS A 19 3.593 9.770 8.582 1.00 31.34 C ATOM 306 NE2 HIS A 19 2.824 9.013 7.827 1.00 23.43 N ATOM 0 H HIS A 19 5.349 6.845 5.016 1.00 41.52 H new ATOM 0 HA HIS A 19 6.939 9.036 6.068 1.00 24.05 H new ATOM 0 HB2 HIS A 19 5.888 6.432 7.250 1.00 42.35 H new ATOM 0 HB3 HIS A 19 6.820 7.601 8.164 1.00 42.35 H new ATOM 0 HD2 HIS A 19 3.258 7.284 6.555 1.00 64.21 H new ATOM 0 HE1 HIS A 19 3.264 10.612 9.173 1.00 31.34 H new ATOM 0 HE2 HIS A 19 1.817 9.124 7.705 1.00 23.43 H new ATOM 315 N GLY A 20 8.418 6.619 4.847 1.00 24.01 N ATOM 316 CA GLY A 20 9.717 6.023 4.614 1.00 65.23 C ATOM 317 C GLY A 20 10.798 7.074 4.451 1.00 40.21 C ATOM 318 O GLY A 20 11.883 6.948 5.020 1.00 44.31 O ATOM 0 H GLY A 20 7.736 6.464 4.104 1.00 24.01 H new ATOM 0 HA2 GLY A 20 9.971 5.367 5.447 1.00 65.23 H new ATOM 0 HA3 GLY A 20 9.677 5.401 3.719 1.00 65.23 H new ATOM 322 N THR A 21 10.486 8.098 3.660 1.00 61.45 N ATOM 323 CA THR A 21 11.351 9.264 3.480 1.00 53.41 C ATOM 324 C THR A 21 12.558 8.964 2.585 1.00 61.10 C ATOM 325 O THR A 21 13.222 7.935 2.735 1.00 60.32 O ATOM 326 CB THR A 21 11.835 9.808 4.840 1.00 23.05 C ATOM 327 OG1 THR A 21 10.727 9.910 5.747 1.00 11.24 O ATOM 328 CG2 THR A 21 12.476 11.177 4.683 1.00 75.54 C ATOM 0 H THR A 21 9.621 8.143 3.122 1.00 61.45 H new ATOM 0 HA THR A 21 10.747 10.022 2.982 1.00 53.41 H new ATOM 0 HB THR A 21 12.578 9.115 5.235 1.00 23.05 H new ATOM 0 HG1 THR A 21 11.041 10.254 6.609 1.00 11.24 H new ATOM 0 HG21 THR A 21 12.808 11.537 5.657 1.00 75.54 H new ATOM 0 HG22 THR A 21 13.332 11.103 4.012 1.00 75.54 H new ATOM 0 HG23 THR A 21 11.748 11.874 4.267 1.00 75.54 H new ATOM 336 N GLY A 22 12.808 9.867 1.635 1.00 72.23 N ATOM 337 CA GLY A 22 13.984 9.788 0.786 1.00 22.35 C ATOM 338 C GLY A 22 14.111 8.476 0.044 1.00 11.14 C ATOM 339 O GLY A 22 13.357 8.207 -0.892 1.00 42.14 O ATOM 0 H GLY A 22 12.203 10.664 1.438 1.00 72.23 H new ATOM 0 HA2 GLY A 22 13.955 10.603 0.063 1.00 22.35 H new ATOM 0 HA3 GLY A 22 14.874 9.937 1.398 1.00 22.35 H new ATOM 343 N ALA A 23 15.058 7.655 0.485 1.00 71.52 N ATOM 344 CA ALA A 23 15.367 6.387 -0.168 1.00 52.03 C ATOM 345 C ALA A 23 14.133 5.503 -0.296 1.00 72.43 C ATOM 346 O ALA A 23 13.934 4.828 -1.308 1.00 54.21 O ATOM 347 CB ALA A 23 16.449 5.660 0.609 1.00 22.14 C ATOM 0 H ALA A 23 15.633 7.849 1.305 1.00 71.52 H new ATOM 0 HA ALA A 23 15.722 6.606 -1.175 1.00 52.03 H new ATOM 0 HB1 ALA A 23 16.676 4.714 0.118 1.00 22.14 H new ATOM 0 HB2 ALA A 23 17.348 6.276 0.644 1.00 22.14 H new ATOM 0 HB3 ALA A 23 16.101 5.467 1.624 1.00 22.14 H new ATOM 353 N LEU A 24 13.305 5.519 0.737 1.00 12.03 N ATOM 354 CA LEU A 24 12.083 4.732 0.749 1.00 72.14 C ATOM 355 C LEU A 24 11.066 5.307 -0.223 1.00 15.45 C ATOM 356 O LEU A 24 10.459 4.572 -0.997 1.00 3.51 O ATOM 357 CB LEU A 24 11.481 4.680 2.153 1.00 32.31 C ATOM 358 CG LEU A 24 12.098 3.656 3.109 1.00 72.11 C ATOM 359 CD1 LEU A 24 11.961 2.258 2.536 1.00 43.24 C ATOM 360 CD2 LEU A 24 13.557 3.978 3.399 1.00 64.33 C ATOM 0 H LEU A 24 13.459 6.071 1.581 1.00 12.03 H new ATOM 0 HA LEU A 24 12.337 3.718 0.439 1.00 72.14 H new ATOM 0 HB2 LEU A 24 11.572 5.669 2.603 1.00 32.31 H new ATOM 0 HB3 LEU A 24 10.416 4.468 2.063 1.00 32.31 H new ATOM 0 HG LEU A 24 11.556 3.704 4.054 1.00 72.11 H new ATOM 0 HD11 LEU A 24 12.403 1.538 3.224 1.00 43.24 H new ATOM 0 HD12 LEU A 24 10.906 2.024 2.395 1.00 43.24 H new ATOM 0 HD13 LEU A 24 12.475 2.206 1.576 1.00 43.24 H new ATOM 0 HD21 LEU A 24 13.966 3.232 4.081 1.00 64.33 H new ATOM 0 HD22 LEU A 24 14.124 3.968 2.468 1.00 64.33 H new ATOM 0 HD23 LEU A 24 13.628 4.965 3.856 1.00 64.33 H new ATOM 372 N LYS A 25 10.901 6.627 -0.190 1.00 24.33 N ATOM 373 CA LYS A 25 9.944 7.300 -1.061 1.00 42.34 C ATOM 374 C LYS A 25 10.253 7.019 -2.524 1.00 20.23 C ATOM 375 O LYS A 25 9.367 6.644 -3.286 1.00 13.00 O ATOM 376 CB LYS A 25 9.950 8.810 -0.815 1.00 32.22 C ATOM 377 CG LYS A 25 9.248 9.236 0.463 1.00 3.21 C ATOM 378 CD LYS A 25 9.233 10.750 0.602 1.00 61.10 C ATOM 379 CE LYS A 25 8.531 11.189 1.874 1.00 11.22 C ATOM 380 NZ LYS A 25 8.572 12.663 2.061 1.00 74.12 N ATOM 0 H LYS A 25 11.418 7.250 0.430 1.00 24.33 H new ATOM 0 HA LYS A 25 8.954 6.909 -0.827 1.00 42.34 H new ATOM 0 HB2 LYS A 25 10.983 9.157 -0.782 1.00 32.22 H new ATOM 0 HB3 LYS A 25 9.474 9.306 -1.661 1.00 32.22 H new ATOM 0 HG2 LYS A 25 8.226 8.858 0.463 1.00 3.21 H new ATOM 0 HG3 LYS A 25 9.752 8.794 1.323 1.00 3.21 H new ATOM 0 HD2 LYS A 25 10.256 11.126 0.603 1.00 61.10 H new ATOM 0 HD3 LYS A 25 8.732 11.190 -0.261 1.00 61.10 H new ATOM 0 HE2 LYS A 25 7.493 10.857 1.847 1.00 11.22 H new ATOM 0 HE3 LYS A 25 8.998 10.703 2.731 1.00 11.22 H new ATOM 0 HZ1 LYS A 25 8.080 12.915 2.942 1.00 74.12 H new ATOM 0 HZ2 LYS A 25 9.561 12.979 2.114 1.00 74.12 H new ATOM 0 HZ3 LYS A 25 8.103 13.128 1.258 1.00 74.12 H new ATOM 394 N ARG A 26 11.517 7.186 -2.898 1.00 74.01 N ATOM 395 CA ARG A 26 11.933 7.037 -4.288 1.00 61.14 C ATOM 396 C ARG A 26 11.590 5.661 -4.830 1.00 12.35 C ATOM 397 O ARG A 26 10.899 5.547 -5.836 1.00 11.13 O ATOM 398 CB ARG A 26 13.439 7.268 -4.428 1.00 41.43 C ATOM 399 CG ARG A 26 13.914 8.624 -3.938 1.00 30.20 C ATOM 400 CD ARG A 26 13.164 9.761 -4.607 1.00 4.33 C ATOM 401 NE ARG A 26 13.185 9.660 -6.066 1.00 4.43 N ATOM 402 CZ ARG A 26 13.954 10.405 -6.858 1.00 11.24 C ATOM 403 NH1 ARG A 26 14.866 11.221 -6.337 1.00 63.31 N ATOM 404 NH2 ARG A 26 13.832 10.301 -8.175 1.00 63.23 N ATOM 0 H ARG A 26 12.273 7.425 -2.256 1.00 74.01 H new ATOM 0 HA ARG A 26 11.391 7.785 -4.866 1.00 61.14 H new ATOM 0 HB2 ARG A 26 13.966 6.490 -3.875 1.00 41.43 H new ATOM 0 HB3 ARG A 26 13.715 7.157 -5.477 1.00 41.43 H new ATOM 0 HG2 ARG A 26 13.781 8.687 -2.858 1.00 30.20 H new ATOM 0 HG3 ARG A 26 14.981 8.728 -4.134 1.00 30.20 H new ATOM 0 HD2 ARG A 26 12.131 9.765 -4.261 1.00 4.33 H new ATOM 0 HD3 ARG A 26 13.605 10.711 -4.305 1.00 4.33 H new ATOM 0 HE ARG A 26 12.571 8.974 -6.505 1.00 4.43 H new ATOM 0 HH11 ARG A 26 14.980 11.279 -5.325 1.00 63.31 H new ATOM 0 HH12 ARG A 26 15.452 11.789 -6.949 1.00 63.31 H new ATOM 0 HH21 ARG A 26 13.153 9.654 -8.575 1.00 63.23 H new ATOM 0 HH22 ARG A 26 14.418 10.868 -8.788 1.00 63.23 H new ATOM 418 N ARG A 27 12.059 4.626 -4.150 1.00 63.14 N ATOM 419 CA ARG A 27 11.858 3.258 -4.612 1.00 64.11 C ATOM 420 C ARG A 27 10.370 2.950 -4.769 1.00 54.53 C ATOM 421 O ARG A 27 9.946 2.380 -5.775 1.00 2.34 O ATOM 422 CB ARG A 27 12.497 2.262 -3.646 1.00 4.23 C ATOM 423 CG ARG A 27 12.534 0.846 -4.196 1.00 30.41 C ATOM 424 CD ARG A 27 13.105 -0.133 -3.190 1.00 63.32 C ATOM 425 NE ARG A 27 13.304 -1.457 -3.780 1.00 41.04 N ATOM 426 CZ ARG A 27 13.015 -2.602 -3.166 1.00 52.43 C ATOM 427 NH1 ARG A 27 12.464 -2.592 -1.958 1.00 10.21 N ATOM 428 NH2 ARG A 27 13.278 -3.759 -3.758 1.00 72.31 N ATOM 0 H ARG A 27 12.581 4.705 -3.277 1.00 63.14 H new ATOM 0 HA ARG A 27 12.339 3.161 -5.585 1.00 64.11 H new ATOM 0 HB2 ARG A 27 13.513 2.585 -3.419 1.00 4.23 H new ATOM 0 HB3 ARG A 27 11.943 2.267 -2.707 1.00 4.23 H new ATOM 0 HG2 ARG A 27 11.526 0.537 -4.472 1.00 30.41 H new ATOM 0 HG3 ARG A 27 13.135 0.825 -5.105 1.00 30.41 H new ATOM 0 HD2 ARG A 27 14.056 0.245 -2.813 1.00 63.32 H new ATOM 0 HD3 ARG A 27 12.432 -0.212 -2.336 1.00 63.32 H new ATOM 0 HE ARG A 27 13.689 -1.506 -4.723 1.00 41.04 H new ATOM 0 HH11 ARG A 27 12.261 -1.705 -1.497 1.00 10.21 H new ATOM 0 HH12 ARG A 27 12.244 -3.471 -1.491 1.00 10.21 H new ATOM 0 HH21 ARG A 27 13.702 -3.772 -4.685 1.00 72.31 H new ATOM 0 HH22 ARG A 27 13.056 -4.635 -3.286 1.00 72.31 H new ATOM 442 N ILE A 28 9.585 3.346 -3.777 1.00 40.11 N ATOM 443 CA ILE A 28 8.146 3.127 -3.804 1.00 63.45 C ATOM 444 C ILE A 28 7.495 3.901 -4.956 1.00 3.21 C ATOM 445 O ILE A 28 6.702 3.344 -5.723 1.00 12.32 O ATOM 446 CB ILE A 28 7.503 3.526 -2.455 1.00 20.21 C ATOM 447 CG1 ILE A 28 8.053 2.644 -1.330 1.00 14.42 C ATOM 448 CG2 ILE A 28 5.989 3.408 -2.519 1.00 62.11 C ATOM 449 CD1 ILE A 28 7.597 3.059 0.054 1.00 75.11 C ATOM 0 H ILE A 28 9.922 3.822 -2.941 1.00 40.11 H new ATOM 0 HA ILE A 28 7.974 2.063 -3.966 1.00 63.45 H new ATOM 0 HB ILE A 28 7.756 4.566 -2.250 1.00 20.21 H new ATOM 0 HG12 ILE A 28 7.748 1.613 -1.508 1.00 14.42 H new ATOM 0 HG13 ILE A 28 9.142 2.665 -1.365 1.00 14.42 H new ATOM 0 HG21 ILE A 28 5.561 3.694 -1.558 1.00 62.11 H new ATOM 0 HG22 ILE A 28 5.605 4.067 -3.298 1.00 62.11 H new ATOM 0 HG23 ILE A 28 5.714 2.378 -2.747 1.00 62.11 H new ATOM 0 HD11 ILE A 28 8.028 2.387 0.796 1.00 75.11 H new ATOM 0 HD12 ILE A 28 7.925 4.079 0.255 1.00 75.11 H new ATOM 0 HD13 ILE A 28 6.509 3.010 0.109 1.00 75.11 H new ATOM 461 N MET A 29 7.865 5.170 -5.100 1.00 13.24 N ATOM 462 CA MET A 29 7.298 6.019 -6.144 1.00 42.25 C ATOM 463 C MET A 29 7.739 5.560 -7.529 1.00 74.33 C ATOM 464 O MET A 29 6.975 5.635 -8.492 1.00 42.13 O ATOM 465 CB MET A 29 7.685 7.484 -5.936 1.00 33.13 C ATOM 466 CG MET A 29 7.064 8.111 -4.699 1.00 22.21 C ATOM 467 SD MET A 29 7.442 9.871 -4.546 1.00 5.10 S ATOM 468 CE MET A 29 9.234 9.836 -4.525 1.00 41.20 C ATOM 0 H MET A 29 8.554 5.633 -4.508 1.00 13.24 H new ATOM 0 HA MET A 29 6.214 5.931 -6.077 1.00 42.25 H new ATOM 0 HB2 MET A 29 8.770 7.557 -5.863 1.00 33.13 H new ATOM 0 HB3 MET A 29 7.385 8.058 -6.813 1.00 33.13 H new ATOM 0 HG2 MET A 29 5.983 7.977 -4.733 1.00 22.21 H new ATOM 0 HG3 MET A 29 7.423 7.588 -3.812 1.00 22.21 H new ATOM 0 HE1 MET A 29 9.603 10.545 -3.784 1.00 41.20 H new ATOM 0 HE2 MET A 29 9.575 8.833 -4.269 1.00 41.20 H new ATOM 0 HE3 MET A 29 9.615 10.109 -5.509 1.00 41.20 H new ATOM 478 N ASP A 30 8.968 5.068 -7.615 1.00 70.31 N ATOM 479 CA ASP A 30 9.538 4.612 -8.879 1.00 11.32 C ATOM 480 C ASP A 30 8.777 3.403 -9.416 1.00 32.34 C ATOM 481 O ASP A 30 8.670 3.208 -10.629 1.00 45.02 O ATOM 482 CB ASP A 30 11.017 4.269 -8.692 1.00 13.14 C ATOM 483 CG ASP A 30 11.700 3.878 -9.985 1.00 73.33 C ATOM 484 OD1 ASP A 30 12.087 2.700 -10.122 1.00 31.22 O ATOM 485 OD2 ASP A 30 11.857 4.749 -10.869 1.00 20.41 O ATOM 0 H ASP A 30 9.596 4.973 -6.817 1.00 70.31 H new ATOM 0 HA ASP A 30 9.449 5.418 -9.607 1.00 11.32 H new ATOM 0 HB2 ASP A 30 11.532 5.127 -8.260 1.00 13.14 H new ATOM 0 HB3 ASP A 30 11.107 3.451 -7.978 1.00 13.14 H new ATOM 491 N MET A 31 8.222 2.608 -8.503 1.00 51.14 N ATOM 492 CA MET A 31 7.431 1.436 -8.877 1.00 62.20 C ATOM 493 C MET A 31 6.006 1.837 -9.250 1.00 43.20 C ATOM 494 O MET A 31 5.168 0.985 -9.542 1.00 51.32 O ATOM 495 CB MET A 31 7.401 0.415 -7.737 1.00 13.41 C ATOM 496 CG MET A 31 8.754 -0.212 -7.440 1.00 25.00 C ATOM 497 SD MET A 31 8.707 -1.359 -6.048 1.00 1.42 S ATOM 498 CE MET A 31 8.145 -0.273 -4.741 1.00 53.35 C ATOM 0 H MET A 31 8.305 2.754 -7.497 1.00 51.14 H new ATOM 0 HA MET A 31 7.905 0.980 -9.746 1.00 62.20 H new ATOM 0 HB2 MET A 31 7.031 0.902 -6.835 1.00 13.41 H new ATOM 0 HB3 MET A 31 6.692 -0.374 -7.987 1.00 13.41 H new ATOM 0 HG2 MET A 31 9.107 -0.739 -8.327 1.00 25.00 H new ATOM 0 HG3 MET A 31 9.476 0.577 -7.230 1.00 25.00 H new ATOM 0 HE1 MET A 31 8.744 -0.441 -3.846 1.00 53.35 H new ATOM 0 HE2 MET A 31 8.250 0.764 -5.059 1.00 53.35 H new ATOM 0 HE3 MET A 31 7.098 -0.480 -4.521 1.00 53.35 H new ATOM 508 N GLY A 32 5.733 3.136 -9.228 1.00 50.23 N ATOM 509 CA GLY A 32 4.431 3.630 -9.631 1.00 15.10 C ATOM 510 C GLY A 32 3.528 3.916 -8.449 1.00 35.20 C ATOM 511 O GLY A 32 2.418 4.432 -8.615 1.00 33.52 O ATOM 0 H GLY A 32 6.393 3.858 -8.937 1.00 50.23 H new ATOM 0 HA2 GLY A 32 4.557 4.541 -10.217 1.00 15.10 H new ATOM 0 HA3 GLY A 32 3.953 2.897 -10.280 1.00 15.10 H new ATOM 515 N ILE A 33 3.998 3.580 -7.257 1.00 74.15 N ATOM 516 CA ILE A 33 3.225 3.797 -6.044 1.00 51.54 C ATOM 517 C ILE A 33 3.459 5.211 -5.523 1.00 61.42 C ATOM 518 O ILE A 33 4.439 5.477 -4.828 1.00 23.23 O ATOM 519 CB ILE A 33 3.592 2.776 -4.948 1.00 35.31 C ATOM 520 CG1 ILE A 33 3.602 1.354 -5.521 1.00 53.21 C ATOM 521 CG2 ILE A 33 2.608 2.873 -3.790 1.00 40.10 C ATOM 522 CD1 ILE A 33 4.064 0.301 -4.536 1.00 32.53 C ATOM 0 H ILE A 33 4.913 3.155 -7.104 1.00 74.15 H new ATOM 0 HA ILE A 33 2.172 3.665 -6.293 1.00 51.54 H new ATOM 0 HB ILE A 33 4.592 3.006 -4.579 1.00 35.31 H new ATOM 0 HG12 ILE A 33 2.598 1.103 -5.862 1.00 53.21 H new ATOM 0 HG13 ILE A 33 4.252 1.330 -6.396 1.00 53.21 H new ATOM 0 HG21 ILE A 33 2.877 2.148 -3.022 1.00 40.10 H new ATOM 0 HG22 ILE A 33 2.641 3.877 -3.368 1.00 40.10 H new ATOM 0 HG23 ILE A 33 1.601 2.664 -4.150 1.00 40.10 H new ATOM 0 HD11 ILE A 33 4.044 -0.678 -5.014 1.00 32.53 H new ATOM 0 HD12 ILE A 33 5.080 0.526 -4.213 1.00 32.53 H new ATOM 0 HD13 ILE A 33 3.401 0.296 -3.671 1.00 32.53 H new ATOM 534 N THR A 34 2.574 6.119 -5.889 1.00 62.12 N ATOM 535 CA THR A 34 2.707 7.510 -5.499 1.00 2.00 C ATOM 536 C THR A 34 1.517 7.948 -4.656 1.00 23.43 C ATOM 537 O THR A 34 0.432 7.371 -4.757 1.00 14.01 O ATOM 538 CB THR A 34 2.827 8.409 -6.745 1.00 0.32 C ATOM 539 OG1 THR A 34 1.881 7.990 -7.745 1.00 10.22 O ATOM 540 CG2 THR A 34 4.235 8.360 -7.318 1.00 54.12 C ATOM 0 H THR A 34 1.752 5.917 -6.458 1.00 62.12 H new ATOM 0 HA THR A 34 3.614 7.610 -4.902 1.00 2.00 H new ATOM 0 HB THR A 34 2.611 9.435 -6.447 1.00 0.32 H new ATOM 0 HG1 THR A 34 1.961 8.567 -8.533 1.00 10.22 H new ATOM 0 HG21 THR A 34 4.293 9.003 -8.196 1.00 54.12 H new ATOM 0 HG22 THR A 34 4.946 8.706 -6.567 1.00 54.12 H new ATOM 0 HG23 THR A 34 4.477 7.336 -7.601 1.00 54.12 H new ATOM 548 N ARG A 35 1.715 8.949 -3.811 1.00 62.41 N ATOM 549 CA ARG A 35 0.628 9.453 -2.986 1.00 20.04 C ATOM 550 C ARG A 35 -0.499 9.978 -3.871 1.00 22.23 C ATOM 551 O ARG A 35 -0.296 10.860 -4.711 1.00 71.14 O ATOM 552 CB ARG A 35 1.132 10.530 -2.019 1.00 41.11 C ATOM 553 CG ARG A 35 1.769 11.732 -2.698 1.00 42.34 C ATOM 554 CD ARG A 35 2.470 12.626 -1.689 1.00 2.52 C ATOM 555 NE ARG A 35 3.057 13.809 -2.314 1.00 63.01 N ATOM 556 CZ ARG A 35 4.342 13.915 -2.652 1.00 2.20 C ATOM 557 NH1 ARG A 35 5.168 12.893 -2.458 1.00 31.40 N ATOM 558 NH2 ARG A 35 4.794 15.039 -3.194 1.00 53.41 N ATOM 0 H ARG A 35 2.608 9.424 -3.679 1.00 62.41 H new ATOM 0 HA ARG A 35 0.234 8.635 -2.383 1.00 20.04 H new ATOM 0 HB2 ARG A 35 0.297 10.873 -1.408 1.00 41.11 H new ATOM 0 HB3 ARG A 35 1.859 10.082 -1.342 1.00 41.11 H new ATOM 0 HG2 ARG A 35 2.485 11.393 -3.446 1.00 42.34 H new ATOM 0 HG3 ARG A 35 1.004 12.303 -3.224 1.00 42.34 H new ATOM 0 HD2 ARG A 35 1.758 12.937 -0.925 1.00 2.52 H new ATOM 0 HD3 ARG A 35 3.252 12.058 -1.184 1.00 2.52 H new ATOM 0 HE ARG A 35 2.445 14.603 -2.503 1.00 63.01 H new ATOM 0 HH11 ARG A 35 4.819 12.026 -2.050 1.00 31.40 H new ATOM 0 HH12 ARG A 35 6.151 12.976 -2.717 1.00 31.40 H new ATOM 0 HH21 ARG A 35 4.158 15.821 -3.352 1.00 53.41 H new ATOM 0 HH22 ARG A 35 5.777 15.121 -3.453 1.00 53.41 H new ATOM 572 N GLY A 36 -1.678 9.402 -3.701 1.00 75.30 N ATOM 573 CA GLY A 36 -2.793 9.729 -4.559 1.00 62.10 C ATOM 574 C GLY A 36 -3.314 8.515 -5.306 1.00 24.55 C ATOM 575 O GLY A 36 -4.443 8.524 -5.794 1.00 72.21 O ATOM 0 H GLY A 36 -1.882 8.710 -2.980 1.00 75.30 H new ATOM 0 HA2 GLY A 36 -3.597 10.158 -3.961 1.00 62.10 H new ATOM 0 HA3 GLY A 36 -2.487 10.491 -5.276 1.00 62.10 H new ATOM 579 N CYS A 37 -2.497 7.465 -5.393 1.00 41.23 N ATOM 580 CA CYS A 37 -2.903 6.247 -6.088 1.00 40.20 C ATOM 581 C CYS A 37 -3.707 5.340 -5.162 1.00 52.21 C ATOM 582 O CYS A 37 -3.748 5.552 -3.946 1.00 74.13 O ATOM 583 CB CYS A 37 -1.683 5.489 -6.627 1.00 72.04 C ATOM 584 SG CYS A 37 -0.610 4.791 -5.353 1.00 14.22 S ATOM 0 H CYS A 37 -1.559 7.434 -4.994 1.00 41.23 H new ATOM 0 HA CYS A 37 -3.531 6.540 -6.929 1.00 40.20 H new ATOM 0 HB2 CYS A 37 -2.029 4.683 -7.274 1.00 72.04 H new ATOM 0 HB3 CYS A 37 -1.096 6.166 -7.247 1.00 72.04 H new ATOM 0 HG CYS A 37 0.087 5.741 -4.804 1.00 14.22 H new ATOM 590 N GLU A 38 -4.346 4.337 -5.742 1.00 22.32 N ATOM 591 CA GLU A 38 -5.115 3.371 -4.978 1.00 71.44 C ATOM 592 C GLU A 38 -4.521 1.978 -5.135 1.00 1.04 C ATOM 593 O GLU A 38 -4.087 1.593 -6.222 1.00 51.20 O ATOM 594 CB GLU A 38 -6.578 3.394 -5.417 1.00 22.33 C ATOM 595 CG GLU A 38 -6.770 3.323 -6.921 1.00 31.11 C ATOM 596 CD GLU A 38 -8.207 3.552 -7.331 1.00 51.45 C ATOM 597 OE1 GLU A 38 -8.639 4.724 -7.361 1.00 52.44 O ATOM 598 OE2 GLU A 38 -8.907 2.568 -7.646 1.00 24.12 O ATOM 0 H GLU A 38 -4.346 4.171 -6.748 1.00 22.32 H new ATOM 0 HA GLU A 38 -5.071 3.641 -3.923 1.00 71.44 H new ATOM 0 HB2 GLU A 38 -7.099 2.556 -4.954 1.00 22.33 H new ATOM 0 HB3 GLU A 38 -7.045 4.305 -5.044 1.00 22.33 H new ATOM 0 HG2 GLU A 38 -6.135 4.068 -7.401 1.00 31.11 H new ATOM 0 HG3 GLU A 38 -6.444 2.347 -7.280 1.00 31.11 H new ATOM 606 N ILE A 39 -4.511 1.228 -4.048 1.00 41.30 N ATOM 607 CA ILE A 39 -3.881 -0.072 -4.020 1.00 10.24 C ATOM 608 C ILE A 39 -4.872 -1.131 -3.569 1.00 40.20 C ATOM 609 O ILE A 39 -5.563 -0.965 -2.562 1.00 53.54 O ATOM 610 CB ILE A 39 -2.663 -0.094 -3.070 1.00 20.34 C ATOM 611 CG1 ILE A 39 -1.632 0.959 -3.484 1.00 24.32 C ATOM 612 CG2 ILE A 39 -2.030 -1.476 -3.047 1.00 12.30 C ATOM 613 CD1 ILE A 39 -0.395 0.974 -2.610 1.00 71.34 C ATOM 0 H ILE A 39 -4.939 1.505 -3.164 1.00 41.30 H new ATOM 0 HA ILE A 39 -3.540 -0.286 -5.033 1.00 10.24 H new ATOM 0 HB ILE A 39 -3.011 0.145 -2.065 1.00 20.34 H new ATOM 0 HG12 ILE A 39 -1.335 0.778 -4.517 1.00 24.32 H new ATOM 0 HG13 ILE A 39 -2.099 1.943 -3.455 1.00 24.32 H new ATOM 0 HG21 ILE A 39 -1.174 -1.473 -2.373 1.00 12.30 H new ATOM 0 HG22 ILE A 39 -2.762 -2.206 -2.701 1.00 12.30 H new ATOM 0 HG23 ILE A 39 -1.700 -1.742 -4.051 1.00 12.30 H new ATOM 0 HD11 ILE A 39 0.290 1.745 -2.963 1.00 71.34 H new ATOM 0 HD12 ILE A 39 -0.680 1.186 -1.580 1.00 71.34 H new ATOM 0 HD13 ILE A 39 0.096 0.002 -2.658 1.00 71.34 H new ATOM 625 N TYR A 40 -4.946 -2.201 -4.331 1.00 1.22 N ATOM 626 CA TYR A 40 -5.747 -3.351 -3.951 1.00 64.10 C ATOM 627 C TYR A 40 -4.844 -4.428 -3.358 1.00 13.13 C ATOM 628 O TYR A 40 -3.911 -4.901 -4.011 1.00 2.43 O ATOM 629 CB TYR A 40 -6.514 -3.896 -5.158 1.00 70.13 C ATOM 630 CG TYR A 40 -7.517 -4.968 -4.800 1.00 72.52 C ATOM 631 CD1 TYR A 40 -8.783 -4.630 -4.343 1.00 61.05 C ATOM 632 CD2 TYR A 40 -7.199 -6.316 -4.919 1.00 72.32 C ATOM 633 CE1 TYR A 40 -9.704 -5.603 -4.013 1.00 22.14 C ATOM 634 CE2 TYR A 40 -8.115 -7.295 -4.590 1.00 53.22 C ATOM 635 CZ TYR A 40 -9.365 -6.933 -4.139 1.00 52.53 C ATOM 636 OH TYR A 40 -10.282 -7.906 -3.811 1.00 44.12 O ATOM 0 H TYR A 40 -4.460 -2.301 -5.222 1.00 1.22 H new ATOM 0 HA TYR A 40 -6.476 -3.045 -3.201 1.00 64.10 H new ATOM 0 HB2 TYR A 40 -7.033 -3.074 -5.650 1.00 70.13 H new ATOM 0 HB3 TYR A 40 -5.803 -4.301 -5.878 1.00 70.13 H new ATOM 0 HD1 TYR A 40 -9.052 -3.589 -4.244 1.00 61.05 H new ATOM 0 HD2 TYR A 40 -6.220 -6.602 -5.274 1.00 72.32 H new ATOM 0 HE1 TYR A 40 -10.685 -5.324 -3.658 1.00 22.14 H new ATOM 0 HE2 TYR A 40 -7.853 -8.338 -4.686 1.00 53.22 H new ATOM 0 HH TYR A 40 -9.887 -8.791 -3.957 1.00 44.12 H new ATOM 646 N ILE A 41 -5.113 -4.799 -2.116 1.00 11.24 N ATOM 647 CA ILE A 41 -4.293 -5.776 -1.410 1.00 15.24 C ATOM 648 C ILE A 41 -4.901 -7.168 -1.551 1.00 42.21 C ATOM 649 O ILE A 41 -6.074 -7.371 -1.231 1.00 62.34 O ATOM 650 CB ILE A 41 -4.151 -5.438 0.102 1.00 63.44 C ATOM 651 CG1 ILE A 41 -3.623 -4.011 0.318 1.00 5.13 C ATOM 652 CG2 ILE A 41 -3.229 -6.435 0.786 1.00 2.31 C ATOM 653 CD1 ILE A 41 -4.666 -2.924 0.153 1.00 12.03 C ATOM 0 H ILE A 41 -5.896 -4.437 -1.572 1.00 11.24 H new ATOM 0 HA ILE A 41 -3.301 -5.747 -1.861 1.00 15.24 H new ATOM 0 HB ILE A 41 -5.145 -5.502 0.544 1.00 63.44 H new ATOM 0 HG12 ILE A 41 -3.199 -3.942 1.320 1.00 5.13 H new ATOM 0 HG13 ILE A 41 -2.811 -3.827 -0.385 1.00 5.13 H new ATOM 0 HG21 ILE A 41 -3.141 -6.183 1.843 1.00 2.31 H new ATOM 0 HG22 ILE A 41 -3.640 -7.439 0.685 1.00 2.31 H new ATOM 0 HG23 ILE A 41 -2.244 -6.398 0.321 1.00 2.31 H new ATOM 0 HD11 ILE A 41 -4.207 -1.950 0.323 1.00 12.03 H new ATOM 0 HD12 ILE A 41 -5.074 -2.961 -0.857 1.00 12.03 H new ATOM 0 HD13 ILE A 41 -5.469 -3.077 0.874 1.00 12.03 H new ATOM 665 N ARG A 42 -4.111 -8.121 -2.037 1.00 34.31 N ATOM 666 CA ARG A 42 -4.596 -9.487 -2.219 1.00 64.42 C ATOM 667 C ARG A 42 -4.198 -10.373 -1.049 1.00 40.44 C ATOM 668 O ARG A 42 -5.046 -10.966 -0.388 1.00 12.33 O ATOM 669 CB ARG A 42 -4.054 -10.117 -3.506 1.00 15.20 C ATOM 670 CG ARG A 42 -4.687 -9.610 -4.790 1.00 31.14 C ATOM 671 CD ARG A 42 -4.134 -8.262 -5.203 1.00 41.14 C ATOM 672 NE ARG A 42 -4.277 -8.051 -6.637 1.00 3.42 N ATOM 673 CZ ARG A 42 -3.302 -8.284 -7.517 1.00 63.13 C ATOM 674 NH1 ARG A 42 -2.121 -8.727 -7.103 1.00 40.44 N ATOM 675 NH2 ARG A 42 -3.509 -8.083 -8.811 1.00 24.13 N ATOM 0 H ARG A 42 -3.139 -7.975 -2.310 1.00 34.31 H new ATOM 0 HA ARG A 42 -5.682 -9.420 -2.281 1.00 64.42 H new ATOM 0 HB2 ARG A 42 -2.980 -9.939 -3.554 1.00 15.20 H new ATOM 0 HB3 ARG A 42 -4.196 -11.196 -3.451 1.00 15.20 H new ATOM 0 HG2 ARG A 42 -4.515 -10.332 -5.588 1.00 31.14 H new ATOM 0 HG3 ARG A 42 -5.766 -9.533 -4.656 1.00 31.14 H new ATOM 0 HD2 ARG A 42 -4.655 -7.471 -4.663 1.00 41.14 H new ATOM 0 HD3 ARG A 42 -3.082 -8.197 -4.926 1.00 41.14 H new ATOM 0 HE ARG A 42 -5.171 -7.706 -6.987 1.00 3.42 H new ATOM 0 HH11 ARG A 42 -1.957 -8.890 -6.110 1.00 40.44 H new ATOM 0 HH12 ARG A 42 -1.377 -8.904 -7.778 1.00 40.44 H new ATOM 0 HH21 ARG A 42 -4.416 -7.749 -9.137 1.00 24.13 H new ATOM 0 HH22 ARG A 42 -2.761 -8.262 -9.481 1.00 24.13 H new ATOM 689 N LYS A 43 -2.903 -10.453 -0.794 1.00 0.23 N ATOM 690 CA LYS A 43 -2.383 -11.387 0.189 1.00 74.13 C ATOM 691 C LYS A 43 -1.606 -10.689 1.290 1.00 43.15 C ATOM 692 O LYS A 43 -0.728 -9.866 1.024 1.00 25.13 O ATOM 693 CB LYS A 43 -1.489 -12.425 -0.487 1.00 33.02 C ATOM 694 CG LYS A 43 -2.250 -13.592 -1.091 1.00 52.23 C ATOM 695 CD LYS A 43 -2.924 -14.418 -0.011 1.00 73.42 C ATOM 696 CE LYS A 43 -3.556 -15.671 -0.581 1.00 4.31 C ATOM 697 NZ LYS A 43 -4.166 -16.510 0.482 1.00 0.03 N ATOM 0 H LYS A 43 -2.193 -9.883 -1.254 1.00 0.23 H new ATOM 0 HA LYS A 43 -3.241 -11.879 0.646 1.00 74.13 H new ATOM 0 HB2 LYS A 43 -0.910 -11.936 -1.271 1.00 33.02 H new ATOM 0 HB3 LYS A 43 -0.776 -12.808 0.244 1.00 33.02 H new ATOM 0 HG2 LYS A 43 -2.999 -13.220 -1.790 1.00 52.23 H new ATOM 0 HG3 LYS A 43 -1.566 -14.221 -1.661 1.00 52.23 H new ATOM 0 HD2 LYS A 43 -2.192 -14.692 0.748 1.00 73.42 H new ATOM 0 HD3 LYS A 43 -3.687 -13.818 0.484 1.00 73.42 H new ATOM 0 HE2 LYS A 43 -4.318 -15.395 -1.309 1.00 4.31 H new ATOM 0 HE3 LYS A 43 -2.801 -16.250 -1.113 1.00 4.31 H new ATOM 0 HZ1 LYS A 43 -4.589 -17.359 0.055 1.00 0.03 H new ATOM 0 HZ2 LYS A 43 -3.433 -16.794 1.163 1.00 0.03 H new ATOM 0 HZ3 LYS A 43 -4.904 -15.966 0.973 1.00 0.03 H new ATOM 711 N VAL A 44 -1.952 -11.033 2.522 1.00 73.13 N ATOM 712 CA VAL A 44 -1.210 -10.608 3.695 1.00 42.34 C ATOM 713 C VAL A 44 -0.757 -11.850 4.453 1.00 4.15 C ATOM 714 O VAL A 44 -1.578 -12.704 4.796 1.00 12.11 O ATOM 715 CB VAL A 44 -2.062 -9.718 4.629 1.00 50.13 C ATOM 716 CG1 VAL A 44 -1.239 -9.241 5.817 1.00 63.04 C ATOM 717 CG2 VAL A 44 -2.636 -8.531 3.869 1.00 44.25 C ATOM 0 H VAL A 44 -2.760 -11.618 2.735 1.00 73.13 H new ATOM 0 HA VAL A 44 -0.357 -10.014 3.368 1.00 42.34 H new ATOM 0 HB VAL A 44 -2.891 -10.319 5.004 1.00 50.13 H new ATOM 0 HG11 VAL A 44 -1.858 -8.616 6.461 1.00 63.04 H new ATOM 0 HG12 VAL A 44 -0.882 -10.102 6.381 1.00 63.04 H new ATOM 0 HG13 VAL A 44 -0.387 -8.662 5.460 1.00 63.04 H new ATOM 0 HG21 VAL A 44 -3.232 -7.919 4.546 1.00 44.25 H new ATOM 0 HG22 VAL A 44 -1.822 -7.933 3.460 1.00 44.25 H new ATOM 0 HG23 VAL A 44 -3.266 -8.890 3.055 1.00 44.25 H new ATOM 727 N ALA A 45 0.541 -11.966 4.680 1.00 31.12 N ATOM 728 CA ALA A 45 1.097 -13.143 5.336 1.00 71.53 C ATOM 729 C ALA A 45 0.750 -13.155 6.823 1.00 33.22 C ATOM 730 O ALA A 45 0.597 -12.101 7.439 1.00 42.24 O ATOM 731 CB ALA A 45 2.604 -13.193 5.135 1.00 4.13 C ATOM 0 H ALA A 45 1.231 -11.261 4.421 1.00 31.12 H new ATOM 0 HA ALA A 45 0.655 -14.030 4.883 1.00 71.53 H new ATOM 0 HB1 ALA A 45 3.008 -14.076 5.629 1.00 4.13 H new ATOM 0 HB2 ALA A 45 2.828 -13.240 4.069 1.00 4.13 H new ATOM 0 HB3 ALA A 45 3.058 -12.299 5.562 1.00 4.13 H new ATOM 737 N PRO A 46 0.623 -14.353 7.423 1.00 65.41 N ATOM 738 CA PRO A 46 0.283 -14.502 8.847 1.00 35.21 C ATOM 739 C PRO A 46 1.328 -13.875 9.771 1.00 12.30 C ATOM 740 O PRO A 46 1.063 -13.626 10.948 1.00 3.51 O ATOM 741 CB PRO A 46 0.228 -16.020 9.054 1.00 55.23 C ATOM 742 CG PRO A 46 0.994 -16.596 7.914 1.00 73.24 C ATOM 743 CD PRO A 46 0.783 -15.659 6.762 1.00 63.42 C ATOM 0 HA PRO A 46 -0.650 -13.993 9.090 1.00 35.21 H new ATOM 0 HB2 PRO A 46 0.670 -16.304 10.009 1.00 55.23 H new ATOM 0 HB3 PRO A 46 -0.801 -16.380 9.059 1.00 55.23 H new ATOM 0 HG2 PRO A 46 2.053 -16.682 8.159 1.00 73.24 H new ATOM 0 HG3 PRO A 46 0.640 -17.598 7.672 1.00 73.24 H new ATOM 0 HD2 PRO A 46 1.631 -15.664 6.077 1.00 63.42 H new ATOM 0 HD3 PRO A 46 -0.098 -15.927 6.180 1.00 63.42 H new ATOM 751 N LEU A 47 2.514 -13.632 9.232 1.00 54.43 N ATOM 752 CA LEU A 47 3.581 -12.996 9.990 1.00 53.11 C ATOM 753 C LEU A 47 3.852 -11.592 9.454 1.00 71.31 C ATOM 754 O LEU A 47 4.789 -10.916 9.886 1.00 21.44 O ATOM 755 CB LEU A 47 4.865 -13.837 9.949 1.00 24.11 C ATOM 756 CG LEU A 47 5.535 -13.986 8.576 1.00 45.35 C ATOM 757 CD1 LEU A 47 6.965 -14.467 8.743 1.00 44.21 C ATOM 758 CD2 LEU A 47 4.766 -14.956 7.687 1.00 64.21 C ATOM 0 H LEU A 47 2.762 -13.866 8.271 1.00 54.43 H new ATOM 0 HA LEU A 47 3.257 -12.920 11.028 1.00 53.11 H new ATOM 0 HB2 LEU A 47 5.586 -13.394 10.636 1.00 24.11 H new ATOM 0 HB3 LEU A 47 4.634 -14.833 10.327 1.00 24.11 H new ATOM 0 HG LEU A 47 5.534 -13.008 8.095 1.00 45.35 H new ATOM 0 HD11 LEU A 47 7.431 -14.569 7.763 1.00 44.21 H new ATOM 0 HD12 LEU A 47 7.525 -13.745 9.337 1.00 44.21 H new ATOM 0 HD13 LEU A 47 6.967 -15.433 9.249 1.00 44.21 H new ATOM 0 HD21 LEU A 47 5.266 -15.040 6.722 1.00 64.21 H new ATOM 0 HD22 LEU A 47 4.730 -15.936 8.163 1.00 64.21 H new ATOM 0 HD23 LEU A 47 3.751 -14.587 7.539 1.00 64.21 H new ATOM 770 N GLY A 48 3.019 -11.156 8.518 1.00 31.53 N ATOM 771 CA GLY A 48 3.169 -9.839 7.942 1.00 42.33 C ATOM 772 C GLY A 48 3.692 -9.880 6.522 1.00 74.52 C ATOM 773 O GLY A 48 2.929 -9.762 5.564 1.00 4.42 O ATOM 0 H GLY A 48 2.238 -11.697 8.147 1.00 31.53 H new ATOM 0 HA2 GLY A 48 2.206 -9.329 7.956 1.00 42.33 H new ATOM 0 HA3 GLY A 48 3.849 -9.252 8.559 1.00 42.33 H new ATOM 777 N ASP A 49 4.995 -10.075 6.387 1.00 61.14 N ATOM 778 CA ASP A 49 5.644 -10.044 5.081 1.00 51.10 C ATOM 779 C ASP A 49 5.689 -11.433 4.454 1.00 65.23 C ATOM 780 O ASP A 49 5.762 -12.440 5.161 1.00 61.44 O ATOM 781 CB ASP A 49 7.068 -9.489 5.205 1.00 11.31 C ATOM 782 CG ASP A 49 7.972 -10.364 6.053 1.00 3.34 C ATOM 783 OD1 ASP A 49 8.879 -11.010 5.489 1.00 43.14 O ATOM 784 OD2 ASP A 49 7.778 -10.402 7.286 1.00 24.23 O ATOM 0 H ASP A 49 5.627 -10.257 7.167 1.00 61.14 H new ATOM 0 HA ASP A 49 5.057 -9.392 4.435 1.00 51.10 H new ATOM 0 HB2 ASP A 49 7.500 -9.386 4.210 1.00 11.31 H new ATOM 0 HB3 ASP A 49 7.026 -8.490 5.639 1.00 11.31 H new ATOM 790 N PRO A 50 5.649 -11.509 3.113 1.00 64.41 N ATOM 791 CA PRO A 50 5.514 -10.354 2.237 1.00 10.00 C ATOM 792 C PRO A 50 4.060 -10.069 1.855 1.00 13.41 C ATOM 793 O PRO A 50 3.206 -10.955 1.901 1.00 62.04 O ATOM 794 CB PRO A 50 6.321 -10.773 0.999 1.00 62.55 C ATOM 795 CG PRO A 50 6.519 -12.260 1.106 1.00 64.33 C ATOM 796 CD PRO A 50 5.770 -12.730 2.328 1.00 34.51 C ATOM 0 HA PRO A 50 5.861 -9.436 2.711 1.00 10.00 H new ATOM 0 HB2 PRO A 50 5.789 -10.517 0.083 1.00 62.55 H new ATOM 0 HB3 PRO A 50 7.279 -10.255 0.966 1.00 62.55 H new ATOM 0 HG2 PRO A 50 6.148 -12.762 0.212 1.00 64.33 H new ATOM 0 HG3 PRO A 50 7.579 -12.501 1.190 1.00 64.33 H new ATOM 0 HD2 PRO A 50 4.796 -13.146 2.072 1.00 34.51 H new ATOM 0 HD3 PRO A 50 6.316 -13.505 2.865 1.00 34.51 H new ATOM 804 N ILE A 51 3.793 -8.830 1.464 1.00 23.23 N ATOM 805 CA ILE A 51 2.445 -8.421 1.093 1.00 12.30 C ATOM 806 C ILE A 51 2.325 -8.286 -0.426 1.00 72.41 C ATOM 807 O ILE A 51 3.162 -7.647 -1.070 1.00 53.32 O ATOM 808 CB ILE A 51 2.067 -7.082 1.769 1.00 3.04 C ATOM 809 CG1 ILE A 51 2.189 -7.209 3.293 1.00 12.32 C ATOM 810 CG2 ILE A 51 0.655 -6.661 1.380 1.00 15.24 C ATOM 811 CD1 ILE A 51 1.878 -5.930 4.045 1.00 3.32 C ATOM 0 H ILE A 51 4.492 -8.091 1.396 1.00 23.23 H new ATOM 0 HA ILE A 51 1.755 -9.191 1.438 1.00 12.30 H new ATOM 0 HB ILE A 51 2.757 -6.312 1.424 1.00 3.04 H new ATOM 0 HG12 ILE A 51 1.515 -7.994 3.637 1.00 12.32 H new ATOM 0 HG13 ILE A 51 3.202 -7.527 3.541 1.00 12.32 H new ATOM 0 HG21 ILE A 51 0.410 -5.717 1.867 1.00 15.24 H new ATOM 0 HG22 ILE A 51 0.597 -6.538 0.299 1.00 15.24 H new ATOM 0 HG23 ILE A 51 -0.053 -7.427 1.696 1.00 15.24 H new ATOM 0 HD11 ILE A 51 1.987 -6.102 5.116 1.00 3.32 H new ATOM 0 HD12 ILE A 51 2.568 -5.147 3.731 1.00 3.32 H new ATOM 0 HD13 ILE A 51 0.855 -5.620 3.829 1.00 3.32 H new ATOM 823 N GLN A 52 1.297 -8.912 -0.994 1.00 34.24 N ATOM 824 CA GLN A 52 1.059 -8.854 -2.435 1.00 55.31 C ATOM 825 C GLN A 52 -0.017 -7.826 -2.756 1.00 21.54 C ATOM 826 O GLN A 52 -1.189 -8.007 -2.409 1.00 23.21 O ATOM 827 CB GLN A 52 0.638 -10.221 -2.996 1.00 23.34 C ATOM 828 CG GLN A 52 1.761 -11.247 -3.100 1.00 60.33 C ATOM 829 CD GLN A 52 2.139 -11.863 -1.769 1.00 63.01 C ATOM 830 OE1 GLN A 52 1.564 -12.869 -1.354 1.00 51.15 O ATOM 831 NE2 GLN A 52 3.120 -11.286 -1.102 1.00 4.15 N ATOM 0 H GLN A 52 0.614 -9.466 -0.478 1.00 34.24 H new ATOM 0 HA GLN A 52 1.998 -8.562 -2.905 1.00 55.31 H new ATOM 0 HB2 GLN A 52 -0.150 -10.630 -2.363 1.00 23.34 H new ATOM 0 HB3 GLN A 52 0.208 -10.074 -3.987 1.00 23.34 H new ATOM 0 HG2 GLN A 52 1.457 -12.039 -3.785 1.00 60.33 H new ATOM 0 HG3 GLN A 52 2.640 -10.770 -3.534 1.00 60.33 H new ATOM 0 HE21 GLN A 52 3.572 -10.453 -1.479 1.00 4.15 H new ATOM 0 HE22 GLN A 52 3.426 -11.673 -0.209 1.00 4.15 H new ATOM 840 N ILE A 53 0.383 -6.752 -3.424 1.00 41.13 N ATOM 841 CA ILE A 53 -0.532 -5.675 -3.775 1.00 54.34 C ATOM 842 C ILE A 53 -0.491 -5.394 -5.273 1.00 33.30 C ATOM 843 O ILE A 53 0.430 -5.821 -5.968 1.00 4.14 O ATOM 844 CB ILE A 53 -0.194 -4.376 -3.007 1.00 73.22 C ATOM 845 CG1 ILE A 53 1.261 -3.957 -3.268 1.00 1.43 C ATOM 846 CG2 ILE A 53 -0.437 -4.561 -1.514 1.00 33.40 C ATOM 847 CD1 ILE A 53 1.645 -2.639 -2.628 1.00 61.32 C ATOM 0 H ILE A 53 1.343 -6.604 -3.735 1.00 41.13 H new ATOM 0 HA ILE A 53 -1.533 -6.001 -3.494 1.00 54.34 H new ATOM 0 HB ILE A 53 -0.849 -3.583 -3.368 1.00 73.22 H new ATOM 0 HG12 ILE A 53 1.925 -4.737 -2.897 1.00 1.43 H new ATOM 0 HG13 ILE A 53 1.421 -3.887 -4.344 1.00 1.43 H new ATOM 0 HG21 ILE A 53 -0.194 -3.637 -0.989 1.00 33.40 H new ATOM 0 HG22 ILE A 53 -1.484 -4.811 -1.344 1.00 33.40 H new ATOM 0 HG23 ILE A 53 0.193 -5.368 -1.140 1.00 33.40 H new ATOM 0 HD11 ILE A 53 2.686 -2.413 -2.858 1.00 61.32 H new ATOM 0 HD12 ILE A 53 1.007 -1.846 -3.017 1.00 61.32 H new ATOM 0 HD13 ILE A 53 1.519 -2.709 -1.548 1.00 61.32 H new ATOM 859 N ASN A 54 -1.496 -4.686 -5.764 1.00 13.05 N ATOM 860 CA ASN A 54 -1.546 -4.300 -7.169 1.00 53.13 C ATOM 861 C ASN A 54 -1.585 -2.785 -7.293 1.00 61.20 C ATOM 862 O ASN A 54 -2.470 -2.132 -6.735 1.00 21.51 O ATOM 863 CB ASN A 54 -2.771 -4.908 -7.861 1.00 73.21 C ATOM 864 CG ASN A 54 -2.856 -4.542 -9.334 1.00 33.42 C ATOM 865 OD1 ASN A 54 -3.440 -3.522 -9.702 1.00 71.32 O ATOM 866 ND2 ASN A 54 -2.292 -5.381 -10.192 1.00 13.44 N ATOM 0 H ASN A 54 -2.291 -4.365 -5.211 1.00 13.05 H new ATOM 0 HA ASN A 54 -0.649 -4.680 -7.658 1.00 53.13 H new ATOM 0 HB2 ASN A 54 -2.738 -5.993 -7.762 1.00 73.21 H new ATOM 0 HB3 ASN A 54 -3.675 -4.569 -7.354 1.00 73.21 H new ATOM 0 HD21 ASN A 54 -2.334 -5.191 -11.193 1.00 13.44 H new ATOM 0 HD22 ASN A 54 -1.817 -6.216 -9.851 1.00 13.44 H new ATOM 873 N VAL A 55 -0.620 -2.229 -8.011 1.00 60.02 N ATOM 874 CA VAL A 55 -0.546 -0.788 -8.207 1.00 43.23 C ATOM 875 C VAL A 55 -0.316 -0.477 -9.676 1.00 70.14 C ATOM 876 O VAL A 55 0.580 -1.047 -10.299 1.00 11.03 O ATOM 877 CB VAL A 55 0.592 -0.147 -7.379 1.00 33.24 C ATOM 878 CG1 VAL A 55 0.568 1.367 -7.509 1.00 25.24 C ATOM 879 CG2 VAL A 55 0.500 -0.553 -5.919 1.00 75.42 C ATOM 0 H VAL A 55 0.124 -2.755 -8.469 1.00 60.02 H new ATOM 0 HA VAL A 55 -1.494 -0.368 -7.870 1.00 43.23 H new ATOM 0 HB VAL A 55 1.539 -0.513 -7.776 1.00 33.24 H new ATOM 0 HG11 VAL A 55 1.377 1.796 -6.918 1.00 25.24 H new ATOM 0 HG12 VAL A 55 0.696 1.644 -8.555 1.00 25.24 H new ATOM 0 HG13 VAL A 55 -0.387 1.748 -7.147 1.00 25.24 H new ATOM 0 HG21 VAL A 55 1.312 -0.088 -5.360 1.00 75.42 H new ATOM 0 HG22 VAL A 55 -0.456 -0.226 -5.510 1.00 75.42 H new ATOM 0 HG23 VAL A 55 0.577 -1.637 -5.837 1.00 75.42 H new ATOM 889 N ARG A 56 -1.143 0.412 -10.230 1.00 31.24 N ATOM 890 CA ARG A 56 -1.026 0.836 -11.627 1.00 72.13 C ATOM 891 C ARG A 56 -1.346 -0.313 -12.581 1.00 1.13 C ATOM 892 O ARG A 56 -1.155 -0.198 -13.791 1.00 23.42 O ATOM 893 CB ARG A 56 0.379 1.385 -11.920 1.00 32.44 C ATOM 894 CG ARG A 56 0.780 2.555 -11.039 1.00 13.22 C ATOM 895 CD ARG A 56 -0.191 3.708 -11.186 1.00 62.41 C ATOM 896 NE ARG A 56 0.134 4.823 -10.302 1.00 14.13 N ATOM 897 CZ ARG A 56 -0.603 5.928 -10.210 1.00 52.44 C ATOM 898 NH1 ARG A 56 -1.712 6.052 -10.936 1.00 15.43 N ATOM 899 NH2 ARG A 56 -0.236 6.903 -9.389 1.00 0.03 N ATOM 0 H ARG A 56 -1.910 0.857 -9.725 1.00 31.24 H new ATOM 0 HA ARG A 56 -1.753 1.632 -11.788 1.00 72.13 H new ATOM 0 HB2 ARG A 56 1.105 0.582 -11.793 1.00 32.44 H new ATOM 0 HB3 ARG A 56 0.426 1.696 -12.964 1.00 32.44 H new ATOM 0 HG2 ARG A 56 0.814 2.235 -9.998 1.00 13.22 H new ATOM 0 HG3 ARG A 56 1.784 2.886 -11.304 1.00 13.22 H new ATOM 0 HD2 ARG A 56 -0.187 4.054 -12.220 1.00 62.41 H new ATOM 0 HD3 ARG A 56 -1.201 3.359 -10.971 1.00 62.41 H new ATOM 0 HE ARG A 56 0.971 4.752 -9.723 1.00 14.13 H new ATOM 0 HH11 ARG A 56 -1.998 5.300 -11.563 1.00 15.43 H new ATOM 0 HH12 ARG A 56 -2.276 6.899 -10.865 1.00 15.43 H new ATOM 0 HH21 ARG A 56 0.611 6.806 -8.828 1.00 0.03 H new ATOM 0 HH22 ARG A 56 -0.800 7.750 -9.318 1.00 0.03 H new ATOM 913 N GLY A 57 -1.857 -1.405 -12.030 1.00 44.23 N ATOM 914 CA GLY A 57 -2.116 -2.591 -12.821 1.00 50.32 C ATOM 915 C GLY A 57 -1.000 -3.606 -12.687 1.00 13.32 C ATOM 916 O GLY A 57 -1.171 -4.781 -13.014 1.00 55.43 O ATOM 0 H GLY A 57 -2.098 -1.491 -11.043 1.00 44.23 H new ATOM 0 HA2 GLY A 57 -3.057 -3.041 -12.506 1.00 50.32 H new ATOM 0 HA3 GLY A 57 -2.231 -2.312 -13.868 1.00 50.32 H new ATOM 920 N TYR A 58 0.138 -3.150 -12.178 1.00 31.44 N ATOM 921 CA TYR A 58 1.309 -3.998 -12.016 1.00 33.33 C ATOM 922 C TYR A 58 1.263 -4.731 -10.682 1.00 71.54 C ATOM 923 O TYR A 58 0.660 -4.255 -9.716 1.00 2.30 O ATOM 924 CB TYR A 58 2.593 -3.164 -12.087 1.00 60.40 C ATOM 925 CG TYR A 58 2.796 -2.435 -13.398 1.00 32.24 C ATOM 926 CD1 TYR A 58 3.452 -3.046 -14.460 1.00 1.03 C ATOM 927 CD2 TYR A 58 2.346 -1.133 -13.569 1.00 65.54 C ATOM 928 CE1 TYR A 58 3.656 -2.377 -15.654 1.00 74.53 C ATOM 929 CE2 TYR A 58 2.542 -0.459 -14.759 1.00 61.42 C ATOM 930 CZ TYR A 58 3.197 -1.085 -15.798 1.00 13.22 C ATOM 931 OH TYR A 58 3.400 -0.411 -16.982 1.00 23.12 O ATOM 0 H TYR A 58 0.273 -2.188 -11.868 1.00 31.44 H new ATOM 0 HA TYR A 58 1.306 -4.727 -12.827 1.00 33.33 H new ATOM 0 HB2 TYR A 58 2.582 -2.434 -11.278 1.00 60.40 H new ATOM 0 HB3 TYR A 58 3.447 -3.819 -11.914 1.00 60.40 H new ATOM 0 HD1 TYR A 58 3.808 -4.060 -14.352 1.00 1.03 H new ATOM 0 HD2 TYR A 58 1.834 -0.638 -12.757 1.00 65.54 H new ATOM 0 HE1 TYR A 58 4.172 -2.864 -16.468 1.00 74.53 H new ATOM 0 HE2 TYR A 58 2.184 0.553 -14.875 1.00 61.42 H new ATOM 0 HH TYR A 58 3.014 0.487 -16.917 1.00 23.12 H new ATOM 941 N GLU A 59 1.906 -5.887 -10.638 1.00 3.55 N ATOM 942 CA GLU A 59 1.999 -6.667 -9.415 1.00 55.42 C ATOM 943 C GLU A 59 3.178 -6.187 -8.578 1.00 42.32 C ATOM 944 O GLU A 59 4.318 -6.175 -9.051 1.00 72.32 O ATOM 945 CB GLU A 59 2.176 -8.151 -9.742 1.00 41.41 C ATOM 946 CG GLU A 59 1.058 -8.732 -10.593 1.00 25.22 C ATOM 947 CD GLU A 59 -0.282 -8.710 -9.891 1.00 75.30 C ATOM 948 OE1 GLU A 59 -1.145 -7.885 -10.260 1.00 2.51 O ATOM 949 OE2 GLU A 59 -0.480 -9.516 -8.962 1.00 12.25 O ATOM 0 H GLU A 59 2.374 -6.308 -11.441 1.00 3.55 H new ATOM 0 HA GLU A 59 1.076 -6.535 -8.850 1.00 55.42 H new ATOM 0 HB2 GLU A 59 3.124 -8.288 -10.262 1.00 41.41 H new ATOM 0 HB3 GLU A 59 2.240 -8.713 -8.810 1.00 41.41 H new ATOM 0 HG2 GLU A 59 0.985 -8.169 -11.524 1.00 25.22 H new ATOM 0 HG3 GLU A 59 1.307 -9.759 -10.860 1.00 25.22 H new ATOM 957 N LEU A 60 2.902 -5.782 -7.349 1.00 41.52 N ATOM 958 CA LEU A 60 3.946 -5.324 -6.446 1.00 63.25 C ATOM 959 C LEU A 60 4.011 -6.201 -5.204 1.00 2.23 C ATOM 960 O LEU A 60 2.995 -6.488 -4.571 1.00 14.44 O ATOM 961 CB LEU A 60 3.730 -3.863 -6.034 1.00 73.35 C ATOM 962 CG LEU A 60 4.307 -2.799 -6.981 1.00 32.34 C ATOM 963 CD1 LEU A 60 5.776 -3.069 -7.259 1.00 61.53 C ATOM 964 CD2 LEU A 60 3.523 -2.720 -8.280 1.00 74.24 C ATOM 0 H LEU A 60 1.962 -5.761 -6.953 1.00 41.52 H new ATOM 0 HA LEU A 60 4.892 -5.395 -6.984 1.00 63.25 H new ATOM 0 HB2 LEU A 60 2.658 -3.689 -5.936 1.00 73.35 H new ATOM 0 HB3 LEU A 60 4.168 -3.717 -5.047 1.00 73.35 H new ATOM 0 HG LEU A 60 4.218 -1.833 -6.483 1.00 32.34 H new ATOM 0 HD11 LEU A 60 6.166 -2.305 -7.931 1.00 61.53 H new ATOM 0 HD12 LEU A 60 6.334 -3.047 -6.323 1.00 61.53 H new ATOM 0 HD13 LEU A 60 5.884 -4.049 -7.723 1.00 61.53 H new ATOM 0 HD21 LEU A 60 3.961 -1.957 -8.923 1.00 74.24 H new ATOM 0 HD22 LEU A 60 3.558 -3.685 -8.786 1.00 74.24 H new ATOM 0 HD23 LEU A 60 2.486 -2.461 -8.064 1.00 74.24 H new ATOM 976 N SER A 61 5.211 -6.629 -4.866 1.00 53.43 N ATOM 977 CA SER A 61 5.435 -7.410 -3.666 1.00 53.21 C ATOM 978 C SER A 61 6.448 -6.703 -2.774 1.00 61.32 C ATOM 979 O SER A 61 7.639 -6.659 -3.084 1.00 21.14 O ATOM 980 CB SER A 61 5.921 -8.815 -4.035 1.00 4.01 C ATOM 981 OG SER A 61 6.995 -8.757 -4.961 1.00 30.40 O ATOM 0 H SER A 61 6.053 -6.447 -5.412 1.00 53.43 H new ATOM 0 HA SER A 61 4.498 -7.507 -3.118 1.00 53.21 H new ATOM 0 HB2 SER A 61 6.240 -9.341 -3.135 1.00 4.01 H new ATOM 0 HB3 SER A 61 5.098 -9.387 -4.463 1.00 4.01 H new ATOM 0 HG SER A 61 7.615 -8.045 -4.699 1.00 30.40 H new ATOM 987 N LEU A 62 5.969 -6.127 -1.684 1.00 14.23 N ATOM 988 CA LEU A 62 6.831 -5.367 -0.793 1.00 3.52 C ATOM 989 C LEU A 62 7.036 -6.098 0.523 1.00 23.51 C ATOM 990 O LEU A 62 6.168 -6.852 0.972 1.00 75.34 O ATOM 991 CB LEU A 62 6.248 -3.976 -0.531 1.00 61.53 C ATOM 992 CG LEU A 62 6.212 -3.049 -1.747 1.00 3.33 C ATOM 993 CD1 LEU A 62 5.645 -1.693 -1.366 1.00 1.23 C ATOM 994 CD2 LEU A 62 7.605 -2.892 -2.335 1.00 74.12 C ATOM 0 H LEU A 62 4.992 -6.170 -1.395 1.00 14.23 H new ATOM 0 HA LEU A 62 7.799 -5.257 -1.283 1.00 3.52 H new ATOM 0 HB2 LEU A 62 5.233 -4.090 -0.150 1.00 61.53 H new ATOM 0 HB3 LEU A 62 6.831 -3.497 0.255 1.00 61.53 H new ATOM 0 HG LEU A 62 5.564 -3.495 -2.501 1.00 3.33 H new ATOM 0 HD11 LEU A 62 5.627 -1.047 -2.243 1.00 1.23 H new ATOM 0 HD12 LEU A 62 4.631 -1.816 -0.985 1.00 1.23 H new ATOM 0 HD13 LEU A 62 6.269 -1.241 -0.595 1.00 1.23 H new ATOM 0 HD21 LEU A 62 7.562 -2.229 -3.200 1.00 74.12 H new ATOM 0 HD22 LEU A 62 8.271 -2.467 -1.584 1.00 74.12 H new ATOM 0 HD23 LEU A 62 7.982 -3.867 -2.643 1.00 74.12 H new ATOM 1006 N ARG A 63 8.198 -5.888 1.127 1.00 44.30 N ATOM 1007 CA ARG A 63 8.487 -6.448 2.431 1.00 71.40 C ATOM 1008 C ARG A 63 7.707 -5.693 3.507 1.00 4.30 C ATOM 1009 O ARG A 63 7.199 -4.594 3.272 1.00 54.20 O ATOM 1010 CB ARG A 63 9.988 -6.366 2.726 1.00 2.30 C ATOM 1011 CG ARG A 63 10.419 -7.181 3.931 1.00 60.22 C ATOM 1012 CD ARG A 63 10.348 -8.676 3.655 1.00 32.11 C ATOM 1013 NE ARG A 63 11.579 -9.181 3.052 1.00 22.25 N ATOM 1014 CZ ARG A 63 11.629 -10.005 2.009 1.00 14.44 C ATOM 1015 NH1 ARG A 63 10.510 -10.408 1.416 1.00 1.31 N ATOM 1016 NH2 ARG A 63 12.803 -10.431 1.566 1.00 44.51 N ATOM 0 H ARG A 63 8.955 -5.332 0.729 1.00 44.30 H new ATOM 0 HA ARG A 63 8.184 -7.495 2.435 1.00 71.40 H new ATOM 0 HB2 ARG A 63 10.540 -6.708 1.851 1.00 2.30 H new ATOM 0 HB3 ARG A 63 10.261 -5.323 2.888 1.00 2.30 H new ATOM 0 HG2 ARG A 63 11.438 -6.910 4.208 1.00 60.22 H new ATOM 0 HG3 ARG A 63 9.782 -6.937 4.782 1.00 60.22 H new ATOM 0 HD2 ARG A 63 10.156 -9.208 4.587 1.00 32.11 H new ATOM 0 HD3 ARG A 63 9.508 -8.883 2.992 1.00 32.11 H new ATOM 0 HE ARG A 63 12.464 -8.880 3.460 1.00 22.25 H new ATOM 0 HH11 ARG A 63 9.606 -10.085 1.760 1.00 1.31 H new ATOM 0 HH12 ARG A 63 10.556 -11.040 0.617 1.00 1.31 H new ATOM 0 HH21 ARG A 63 13.662 -10.127 2.024 1.00 44.51 H new ATOM 0 HH22 ARG A 63 12.848 -11.063 0.767 1.00 44.51 H new ATOM 1030 N LYS A 64 7.622 -6.308 4.675 1.00 23.14 N ATOM 1031 CA LYS A 64 7.005 -5.718 5.853 1.00 53.41 C ATOM 1032 C LYS A 64 7.479 -4.279 6.077 1.00 44.04 C ATOM 1033 O LYS A 64 6.675 -3.390 6.334 1.00 0.41 O ATOM 1034 CB LYS A 64 7.374 -6.590 7.048 1.00 75.22 C ATOM 1035 CG LYS A 64 6.930 -6.058 8.394 1.00 52.43 C ATOM 1036 CD LYS A 64 7.643 -6.800 9.512 1.00 31.04 C ATOM 1037 CE LYS A 64 7.226 -8.261 9.584 1.00 52.45 C ATOM 1038 NZ LYS A 64 8.122 -9.050 10.469 1.00 72.41 N ATOM 0 H LYS A 64 7.986 -7.247 4.835 1.00 23.14 H new ATOM 0 HA LYS A 64 5.924 -5.676 5.720 1.00 53.41 H new ATOM 0 HB2 LYS A 64 6.939 -7.579 6.904 1.00 75.22 H new ATOM 0 HB3 LYS A 64 8.456 -6.717 7.064 1.00 75.22 H new ATOM 0 HG2 LYS A 64 7.145 -4.991 8.461 1.00 52.43 H new ATOM 0 HG3 LYS A 64 5.851 -6.173 8.501 1.00 52.43 H new ATOM 0 HD2 LYS A 64 8.720 -6.738 9.359 1.00 31.04 H new ATOM 0 HD3 LYS A 64 7.428 -6.314 10.464 1.00 31.04 H new ATOM 0 HE2 LYS A 64 6.202 -8.329 9.951 1.00 52.45 H new ATOM 0 HE3 LYS A 64 7.235 -8.691 8.582 1.00 52.45 H new ATOM 0 HZ1 LYS A 64 7.804 -10.040 10.491 1.00 72.41 H new ATOM 0 HZ2 LYS A 64 9.095 -9.007 10.105 1.00 72.41 H new ATOM 0 HZ3 LYS A 64 8.094 -8.656 11.431 1.00 72.41 H new ATOM 1052 N SER A 65 8.786 -4.076 5.951 1.00 22.34 N ATOM 1053 CA SER A 65 9.416 -2.783 6.200 1.00 2.25 C ATOM 1054 C SER A 65 8.814 -1.662 5.341 1.00 40.33 C ATOM 1055 O SER A 65 8.431 -0.612 5.861 1.00 50.40 O ATOM 1056 CB SER A 65 10.916 -2.907 5.933 1.00 1.20 C ATOM 1057 OG SER A 65 11.150 -3.646 4.741 1.00 13.21 O ATOM 0 H SER A 65 9.441 -4.806 5.672 1.00 22.34 H new ATOM 0 HA SER A 65 9.235 -2.511 7.240 1.00 2.25 H new ATOM 0 HB2 SER A 65 11.359 -1.915 5.846 1.00 1.20 H new ATOM 0 HB3 SER A 65 11.402 -3.400 6.775 1.00 1.20 H new ATOM 0 HG SER A 65 12.115 -3.715 4.583 1.00 13.21 H new ATOM 1063 N ALA A 66 8.724 -1.896 4.034 1.00 71.22 N ATOM 1064 CA ALA A 66 8.237 -0.884 3.101 1.00 51.43 C ATOM 1065 C ALA A 66 6.774 -0.543 3.364 1.00 33.22 C ATOM 1066 O ALA A 66 6.422 0.625 3.532 1.00 31.12 O ATOM 1067 CB ALA A 66 8.423 -1.353 1.666 1.00 73.43 C ATOM 0 H ALA A 66 8.983 -2.780 3.596 1.00 71.22 H new ATOM 0 HA ALA A 66 8.823 0.022 3.255 1.00 51.43 H new ATOM 0 HB1 ALA A 66 8.055 -0.588 0.983 1.00 73.43 H new ATOM 0 HB2 ALA A 66 9.481 -1.531 1.476 1.00 73.43 H new ATOM 0 HB3 ALA A 66 7.866 -2.277 1.510 1.00 73.43 H new ATOM 1073 N ALA A 67 5.934 -1.574 3.424 1.00 13.24 N ATOM 1074 CA ALA A 67 4.500 -1.400 3.656 1.00 42.12 C ATOM 1075 C ALA A 67 4.245 -0.683 4.969 1.00 43.24 C ATOM 1076 O ALA A 67 3.264 0.045 5.131 1.00 32.14 O ATOM 1077 CB ALA A 67 3.816 -2.752 3.694 1.00 25.32 C ATOM 0 H ALA A 67 6.224 -2.546 3.314 1.00 13.24 H new ATOM 0 HA ALA A 67 4.098 -0.800 2.840 1.00 42.12 H new ATOM 0 HB1 ALA A 67 2.749 -2.615 3.867 1.00 25.32 H new ATOM 0 HB2 ALA A 67 3.967 -3.263 2.743 1.00 25.32 H new ATOM 0 HB3 ALA A 67 4.240 -3.352 4.499 1.00 25.32 H new ATOM 1083 N GLU A 68 5.146 -0.911 5.897 1.00 63.21 N ATOM 1084 CA GLU A 68 5.031 -0.408 7.247 1.00 33.52 C ATOM 1085 C GLU A 68 5.212 1.107 7.291 1.00 64.34 C ATOM 1086 O GLU A 68 4.683 1.781 8.176 1.00 50.32 O ATOM 1087 CB GLU A 68 6.088 -1.101 8.093 1.00 73.41 C ATOM 1088 CG GLU A 68 5.921 -0.912 9.576 1.00 14.23 C ATOM 1089 CD GLU A 68 6.982 -1.654 10.356 1.00 32.33 C ATOM 1090 OE1 GLU A 68 6.808 -2.868 10.597 1.00 45.43 O ATOM 1091 OE2 GLU A 68 8.009 -1.039 10.701 1.00 71.51 O ATOM 0 H GLU A 68 5.991 -1.458 5.733 1.00 63.21 H new ATOM 0 HA GLU A 68 4.035 -0.619 7.636 1.00 33.52 H new ATOM 0 HB2 GLU A 68 6.071 -2.168 7.871 1.00 73.41 H new ATOM 0 HB3 GLU A 68 7.070 -0.730 7.800 1.00 73.41 H new ATOM 0 HG2 GLU A 68 5.969 0.150 9.815 1.00 14.23 H new ATOM 0 HG3 GLU A 68 4.934 -1.263 9.879 1.00 14.23 H new ATOM 1099 N MET A 69 5.951 1.638 6.329 1.00 74.33 N ATOM 1100 CA MET A 69 6.231 3.066 6.282 1.00 14.24 C ATOM 1101 C MET A 69 5.263 3.785 5.351 1.00 35.10 C ATOM 1102 O MET A 69 5.283 5.011 5.237 1.00 54.42 O ATOM 1103 CB MET A 69 7.674 3.308 5.843 1.00 33.33 C ATOM 1104 CG MET A 69 8.698 2.804 6.847 1.00 70.25 C ATOM 1105 SD MET A 69 10.397 3.043 6.295 1.00 62.52 S ATOM 1106 CE MET A 69 11.288 2.427 7.721 1.00 11.21 C ATOM 0 H MET A 69 6.369 1.101 5.569 1.00 74.33 H new ATOM 0 HA MET A 69 6.096 3.472 7.285 1.00 14.24 H new ATOM 0 HB2 MET A 69 7.842 2.817 4.884 1.00 33.33 H new ATOM 0 HB3 MET A 69 7.825 4.376 5.685 1.00 33.33 H new ATOM 0 HG2 MET A 69 8.554 3.320 7.796 1.00 70.25 H new ATOM 0 HG3 MET A 69 8.527 1.743 7.032 1.00 70.25 H new ATOM 0 HE1 MET A 69 12.360 2.505 7.542 1.00 11.21 H new ATOM 0 HE2 MET A 69 11.023 3.017 8.598 1.00 11.21 H new ATOM 0 HE3 MET A 69 11.024 1.384 7.892 1.00 11.21 H new ATOM 1116 N ILE A 70 4.410 3.020 4.695 1.00 44.44 N ATOM 1117 CA ILE A 70 3.422 3.586 3.793 1.00 0.14 C ATOM 1118 C ILE A 70 2.115 3.850 4.531 1.00 33.53 C ATOM 1119 O ILE A 70 1.514 2.935 5.096 1.00 61.31 O ATOM 1120 CB ILE A 70 3.149 2.655 2.591 1.00 43.35 C ATOM 1121 CG1 ILE A 70 4.441 2.393 1.812 1.00 60.14 C ATOM 1122 CG2 ILE A 70 2.092 3.257 1.672 1.00 64.31 C ATOM 1123 CD1 ILE A 70 4.275 1.426 0.658 1.00 24.44 C ATOM 0 H ILE A 70 4.381 2.003 4.770 1.00 44.44 H new ATOM 0 HA ILE A 70 3.828 4.525 3.418 1.00 0.14 H new ATOM 0 HB ILE A 70 2.773 1.706 2.974 1.00 43.35 H new ATOM 0 HG12 ILE A 70 4.821 3.340 1.428 1.00 60.14 H new ATOM 0 HG13 ILE A 70 5.194 2.001 2.496 1.00 60.14 H new ATOM 0 HG21 ILE A 70 1.915 2.585 0.832 1.00 64.31 H new ATOM 0 HG22 ILE A 70 1.164 3.397 2.227 1.00 64.31 H new ATOM 0 HG23 ILE A 70 2.440 4.220 1.299 1.00 64.31 H new ATOM 0 HD11 ILE A 70 5.233 1.292 0.155 1.00 24.44 H new ATOM 0 HD12 ILE A 70 3.925 0.465 1.036 1.00 24.44 H new ATOM 0 HD13 ILE A 70 3.547 1.824 -0.049 1.00 24.44 H new ATOM 1135 N GLU A 71 1.688 5.102 4.529 1.00 33.52 N ATOM 1136 CA GLU A 71 0.429 5.480 5.145 1.00 50.11 C ATOM 1137 C GLU A 71 -0.652 5.564 4.083 1.00 44.31 C ATOM 1138 O GLU A 71 -0.561 6.358 3.139 1.00 43.14 O ATOM 1139 CB GLU A 71 0.557 6.817 5.881 1.00 72.41 C ATOM 1140 CG GLU A 71 -0.778 7.401 6.325 1.00 12.21 C ATOM 1141 CD GLU A 71 -0.742 7.967 7.729 1.00 72.32 C ATOM 1142 OE1 GLU A 71 0.283 8.571 8.101 1.00 31.31 O ATOM 1143 OE2 GLU A 71 -1.750 7.837 8.456 1.00 73.21 O ATOM 0 H GLU A 71 2.199 5.877 4.105 1.00 33.52 H new ATOM 0 HA GLU A 71 0.157 4.720 5.877 1.00 50.11 H new ATOM 0 HB2 GLU A 71 1.193 6.681 6.756 1.00 72.41 H new ATOM 0 HB3 GLU A 71 1.059 7.533 5.230 1.00 72.41 H new ATOM 0 HG2 GLU A 71 -1.073 8.187 5.630 1.00 12.21 H new ATOM 0 HG3 GLU A 71 -1.542 6.626 6.272 1.00 12.21 H new ATOM 1151 N VAL A 72 -1.666 4.741 4.237 1.00 72.21 N ATOM 1152 CA VAL A 72 -2.763 4.702 3.297 1.00 63.25 C ATOM 1153 C VAL A 72 -4.076 4.928 4.022 1.00 63.42 C ATOM 1154 O VAL A 72 -4.153 4.820 5.242 1.00 62.42 O ATOM 1155 CB VAL A 72 -2.827 3.366 2.523 1.00 74.32 C ATOM 1156 CG1 VAL A 72 -1.595 3.189 1.651 1.00 62.53 C ATOM 1157 CG2 VAL A 72 -2.973 2.193 3.479 1.00 32.41 C ATOM 0 H VAL A 72 -1.753 4.084 5.012 1.00 72.21 H new ATOM 0 HA VAL A 72 -2.592 5.498 2.572 1.00 63.25 H new ATOM 0 HB VAL A 72 -3.705 3.393 1.878 1.00 74.32 H new ATOM 0 HG11 VAL A 72 -1.661 2.242 1.115 1.00 62.53 H new ATOM 0 HG12 VAL A 72 -1.536 4.008 0.934 1.00 62.53 H new ATOM 0 HG13 VAL A 72 -0.703 3.190 2.277 1.00 62.53 H new ATOM 0 HG21 VAL A 72 -3.016 1.264 2.911 1.00 32.41 H new ATOM 0 HG22 VAL A 72 -2.118 2.166 4.155 1.00 32.41 H new ATOM 0 HG23 VAL A 72 -3.890 2.307 4.058 1.00 32.41 H new ATOM 1167 N GLU A 73 -5.098 5.245 3.262 1.00 13.20 N ATOM 1168 CA GLU A 73 -6.417 5.478 3.810 1.00 22.14 C ATOM 1169 C GLU A 73 -7.381 4.445 3.246 1.00 11.44 C ATOM 1170 O GLU A 73 -7.169 3.942 2.142 1.00 31.23 O ATOM 1171 CB GLU A 73 -6.876 6.896 3.458 1.00 41.54 C ATOM 1172 CG GLU A 73 -8.274 7.233 3.939 1.00 35.43 C ATOM 1173 CD GLU A 73 -8.391 7.296 5.445 1.00 3.33 C ATOM 1174 OE1 GLU A 73 -8.510 6.229 6.080 1.00 0.45 O ATOM 1175 OE2 GLU A 73 -8.401 8.417 5.995 1.00 71.01 O ATOM 0 H GLU A 73 -5.041 5.349 2.249 1.00 13.20 H new ATOM 0 HA GLU A 73 -6.393 5.383 4.896 1.00 22.14 H new ATOM 0 HB2 GLU A 73 -6.174 7.610 3.888 1.00 41.54 H new ATOM 0 HB3 GLU A 73 -6.836 7.021 2.376 1.00 41.54 H new ATOM 0 HG2 GLU A 73 -8.574 8.193 3.518 1.00 35.43 H new ATOM 0 HG3 GLU A 73 -8.971 6.486 3.559 1.00 35.43 H new ATOM 1183 N LEU A 74 -8.435 4.135 3.988 1.00 50.24 N ATOM 1184 CA LEU A 74 -9.428 3.165 3.534 1.00 32.44 C ATOM 1185 C LEU A 74 -10.380 3.809 2.523 1.00 23.12 C ATOM 1186 O LEU A 74 -11.600 3.793 2.695 1.00 44.44 O ATOM 1187 CB LEU A 74 -10.211 2.599 4.724 1.00 50.24 C ATOM 1188 CG LEU A 74 -10.295 1.067 4.778 1.00 71.52 C ATOM 1189 CD1 LEU A 74 -10.943 0.513 3.519 1.00 11.02 C ATOM 1190 CD2 LEU A 74 -8.913 0.461 4.969 1.00 23.44 C ATOM 0 H LEU A 74 -8.626 4.539 4.905 1.00 50.24 H new ATOM 0 HA LEU A 74 -8.907 2.342 3.044 1.00 32.44 H new ATOM 0 HB2 LEU A 74 -9.750 2.955 5.645 1.00 50.24 H new ATOM 0 HB3 LEU A 74 -11.223 3.002 4.698 1.00 50.24 H new ATOM 0 HG LEU A 74 -10.916 0.795 5.631 1.00 71.52 H new ATOM 0 HD11 LEU A 74 -10.990 -0.574 3.582 1.00 11.02 H new ATOM 0 HD12 LEU A 74 -11.951 0.915 3.422 1.00 11.02 H new ATOM 0 HD13 LEU A 74 -10.352 0.800 2.649 1.00 11.02 H new ATOM 0 HD21 LEU A 74 -8.994 -0.625 5.005 1.00 23.44 H new ATOM 0 HD22 LEU A 74 -8.271 0.750 4.137 1.00 23.44 H new ATOM 0 HD23 LEU A 74 -8.483 0.824 5.902 1.00 23.44 H new