USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 577 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 55 HIS : no HD1:sc= -0.33 X(o=-0.61,f=-0.87) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 143:sc= -0.282 (180deg=-0.0719) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -34:sc= 0.224 USER MOD Single : A 16 GLN : amide:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 19 ASN : amide:sc= -3.1 K(o=-3.1,f=-2.3) USER MOD Single : A 23 TYR OH : rot -164:sc= 1.33 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.011) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -56:sc= 0.432 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.18) USER MOD Single : A 74 HIS : no HD1:sc= -0.0664 X(o=-0.066,f=-0.0079) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 7.134 -3.245 -2.621 1.00 44.51 N ATOM 26 CA THR A 3 8.509 -3.699 -2.788 1.00 20.10 C ATOM 27 C THR A 3 9.003 -4.426 -1.542 1.00 52.13 C ATOM 28 O THR A 3 8.607 -4.098 -0.423 1.00 41.03 O ATOM 29 CB THR A 3 9.457 -2.523 -3.092 1.00 35.31 C ATOM 30 OG1 THR A 3 9.232 -1.460 -2.160 1.00 2.32 O ATOM 31 CG2 THR A 3 9.249 -2.014 -4.510 1.00 51.32 C ATOM 0 HA THR A 3 8.514 -4.387 -3.633 1.00 20.10 H new ATOM 0 HB THR A 3 10.483 -2.877 -2.997 1.00 35.31 H new ATOM 0 HG1 THR A 3 8.281 -1.426 -1.926 1.00 2.32 H new ATOM 0 HG21 THR A 3 9.929 -1.184 -4.702 1.00 51.32 H new ATOM 0 HG22 THR A 3 9.449 -2.818 -5.218 1.00 51.32 H new ATOM 0 HG23 THR A 3 8.220 -1.675 -4.627 1.00 51.32 H new ATOM 39 N ILE A 4 9.869 -5.413 -1.743 1.00 62.04 N ATOM 40 CA ILE A 4 10.418 -6.185 -0.635 1.00 40.43 C ATOM 41 C ILE A 4 10.999 -5.269 0.437 1.00 30.53 C ATOM 42 O ILE A 4 10.884 -5.545 1.632 1.00 40.13 O ATOM 43 CB ILE A 4 11.513 -7.156 -1.114 1.00 3.04 C ATOM 44 CG1 ILE A 4 10.946 -8.128 -2.150 1.00 61.02 C ATOM 45 CG2 ILE A 4 12.100 -7.915 0.067 1.00 63.21 C ATOM 46 CD1 ILE A 4 9.767 -8.930 -1.645 1.00 63.01 C ATOM 0 H ILE A 4 10.206 -5.697 -2.663 1.00 62.04 H new ATOM 0 HA ILE A 4 9.595 -6.760 -0.211 1.00 40.43 H new ATOM 0 HB ILE A 4 12.310 -6.579 -1.583 1.00 3.04 H new ATOM 0 HG12 ILE A 4 10.642 -7.567 -3.034 1.00 61.02 H new ATOM 0 HG13 ILE A 4 11.734 -8.813 -2.463 1.00 61.02 H new ATOM 0 HG21 ILE A 4 12.873 -8.598 -0.287 1.00 63.21 H new ATOM 0 HG22 ILE A 4 12.536 -7.208 0.773 1.00 63.21 H new ATOM 0 HG23 ILE A 4 11.313 -8.484 0.562 1.00 63.21 H new ATOM 0 HD11 ILE A 4 9.417 -9.598 -2.432 1.00 63.01 H new ATOM 0 HD12 ILE A 4 10.071 -9.518 -0.779 1.00 63.01 H new ATOM 0 HD13 ILE A 4 8.962 -8.253 -1.359 1.00 63.01 H new ATOM 58 N ASP A 5 11.621 -4.179 0.003 1.00 24.20 N ATOM 59 CA ASP A 5 12.218 -3.221 0.926 1.00 42.31 C ATOM 60 C ASP A 5 11.197 -2.750 1.957 1.00 74.34 C ATOM 61 O ASP A 5 11.550 -2.416 3.087 1.00 10.54 O ATOM 62 CB ASP A 5 12.776 -2.021 0.159 1.00 64.24 C ATOM 63 CG ASP A 5 14.265 -2.143 -0.102 1.00 51.43 C ATOM 64 OD1 ASP A 5 14.728 -3.268 -0.384 1.00 55.42 O ATOM 65 OD2 ASP A 5 14.967 -1.113 -0.024 1.00 4.23 O ATOM 0 H ASP A 5 11.725 -3.937 -0.982 1.00 24.20 H new ATOM 0 HA ASP A 5 13.034 -3.719 1.450 1.00 42.31 H new ATOM 0 HB2 ASP A 5 12.250 -1.924 -0.791 1.00 64.24 H new ATOM 0 HB3 ASP A 5 12.583 -1.110 0.725 1.00 64.24 H new ATOM 70 N ASP A 6 9.930 -2.727 1.558 1.00 53.51 N ATOM 71 CA ASP A 6 8.856 -2.297 2.447 1.00 43.02 C ATOM 72 C ASP A 6 8.748 -3.223 3.655 1.00 51.54 C ATOM 73 O ASP A 6 8.491 -2.774 4.771 1.00 34.23 O ATOM 74 CB ASP A 6 7.525 -2.262 1.694 1.00 23.12 C ATOM 75 CG ASP A 6 6.537 -1.291 2.310 1.00 44.20 C ATOM 76 OD1 ASP A 6 6.774 -0.068 2.222 1.00 51.42 O ATOM 77 OD2 ASP A 6 5.527 -1.754 2.879 1.00 2.13 O ATOM 0 H ASP A 6 9.621 -3.001 0.625 1.00 53.51 H new ATOM 0 HA ASP A 6 9.090 -1.293 2.801 1.00 43.02 H new ATOM 0 HB2 ASP A 6 7.705 -1.983 0.656 1.00 23.12 H new ATOM 0 HB3 ASP A 6 7.090 -3.261 1.684 1.00 23.12 H new ATOM 82 N ALA A 7 8.945 -4.516 3.422 1.00 72.10 N ATOM 83 CA ALA A 7 8.870 -5.504 4.491 1.00 61.53 C ATOM 84 C ALA A 7 9.926 -5.239 5.559 1.00 72.35 C ATOM 85 O ALA A 7 9.634 -5.265 6.754 1.00 12.33 O ATOM 86 CB ALA A 7 9.030 -6.907 3.924 1.00 24.52 C ATOM 0 H ALA A 7 9.158 -4.904 2.503 1.00 72.10 H new ATOM 0 HA ALA A 7 7.889 -5.423 4.960 1.00 61.53 H new ATOM 0 HB1 ALA A 7 8.972 -7.635 4.733 1.00 24.52 H new ATOM 0 HB2 ALA A 7 8.235 -7.101 3.204 1.00 24.52 H new ATOM 0 HB3 ALA A 7 9.997 -6.991 3.429 1.00 24.52 H new ATOM 92 N PHE A 8 11.154 -4.986 5.119 1.00 2.54 N ATOM 93 CA PHE A 8 12.254 -4.717 6.038 1.00 23.32 C ATOM 94 C PHE A 8 12.020 -3.417 6.802 1.00 21.54 C ATOM 95 O PHE A 8 12.433 -3.279 7.954 1.00 44.23 O ATOM 96 CB PHE A 8 13.578 -4.642 5.274 1.00 11.53 C ATOM 97 CG PHE A 8 13.785 -5.782 4.319 1.00 55.34 C ATOM 98 CD1 PHE A 8 13.513 -7.084 4.705 1.00 63.52 C ATOM 99 CD2 PHE A 8 14.250 -5.551 3.034 1.00 15.21 C ATOM 100 CE1 PHE A 8 13.703 -8.135 3.828 1.00 64.44 C ATOM 101 CE2 PHE A 8 14.441 -6.598 2.152 1.00 2.22 C ATOM 102 CZ PHE A 8 14.167 -7.892 2.549 1.00 13.34 C ATOM 0 H PHE A 8 11.412 -4.962 4.133 1.00 2.54 H new ATOM 0 HA PHE A 8 12.303 -5.536 6.756 1.00 23.32 H new ATOM 0 HB2 PHE A 8 13.616 -3.704 4.721 1.00 11.53 H new ATOM 0 HB3 PHE A 8 14.400 -4.624 5.989 1.00 11.53 H new ATOM 0 HD1 PHE A 8 13.148 -7.280 5.702 1.00 63.52 H new ATOM 0 HD2 PHE A 8 14.466 -4.541 2.718 1.00 15.21 H new ATOM 0 HE1 PHE A 8 13.489 -9.146 4.142 1.00 64.44 H new ATOM 0 HE2 PHE A 8 14.804 -6.404 1.153 1.00 2.22 H new ATOM 0 HZ PHE A 8 14.315 -8.712 1.862 1.00 13.34 H new ATOM 112 N ARG A 9 11.355 -2.468 6.153 1.00 52.11 N ATOM 113 CA ARG A 9 11.067 -1.179 6.770 1.00 53.44 C ATOM 114 C ARG A 9 9.912 -1.296 7.761 1.00 45.23 C ATOM 115 O ARG A 9 9.865 -0.581 8.761 1.00 4.21 O ATOM 116 CB ARG A 9 10.729 -0.141 5.698 1.00 43.43 C ATOM 117 CG ARG A 9 11.926 0.283 4.862 1.00 70.44 C ATOM 118 CD ARG A 9 11.559 1.387 3.883 1.00 70.24 C ATOM 119 NE ARG A 9 12.605 2.402 3.785 1.00 72.51 N ATOM 120 CZ ARG A 9 12.401 3.623 3.305 1.00 52.30 C ATOM 121 NH1 ARG A 9 11.196 3.980 2.882 1.00 41.33 N ATOM 122 NH2 ARG A 9 13.403 4.491 3.248 1.00 1.03 N ATOM 0 H ARG A 9 11.005 -2.567 5.200 1.00 52.11 H new ATOM 0 HA ARG A 9 11.957 -0.857 7.311 1.00 53.44 H new ATOM 0 HB2 ARG A 9 9.962 -0.548 5.039 1.00 43.43 H new ATOM 0 HB3 ARG A 9 10.302 0.739 6.178 1.00 43.43 H new ATOM 0 HG2 ARG A 9 12.725 0.628 5.518 1.00 70.44 H new ATOM 0 HG3 ARG A 9 12.312 -0.577 4.314 1.00 70.44 H new ATOM 0 HD2 ARG A 9 11.381 0.954 2.899 1.00 70.24 H new ATOM 0 HD3 ARG A 9 10.627 1.856 4.198 1.00 70.24 H new ATOM 0 HE ARG A 9 13.543 2.159 4.103 1.00 72.51 H new ATOM 0 HH11 ARG A 9 10.423 3.316 2.925 1.00 41.33 H new ATOM 0 HH12 ARG A 9 11.042 4.919 2.514 1.00 41.33 H new ATOM 0 HH21 ARG A 9 14.331 4.220 3.573 1.00 1.03 H new ATOM 0 HH22 ARG A 9 13.245 5.429 2.879 1.00 1.03 H new ATOM 136 N ALA A 10 8.983 -2.202 7.475 1.00 43.25 N ATOM 137 CA ALA A 10 7.830 -2.414 8.341 1.00 44.42 C ATOM 138 C ALA A 10 8.219 -3.195 9.591 1.00 4.23 C ATOM 139 O ALA A 10 7.576 -3.075 10.634 1.00 32.43 O ATOM 140 CB ALA A 10 6.728 -3.140 7.584 1.00 11.32 C ATOM 0 H ALA A 10 9.006 -2.801 6.650 1.00 43.25 H new ATOM 0 HA ALA A 10 7.458 -1.439 8.655 1.00 44.42 H new ATOM 0 HB1 ALA A 10 5.873 -3.292 8.243 1.00 11.32 H new ATOM 0 HB2 ALA A 10 6.423 -2.543 6.725 1.00 11.32 H new ATOM 0 HB3 ALA A 10 7.098 -4.106 7.241 1.00 11.32 H new ATOM 146 N ILE A 11 9.275 -3.994 9.479 1.00 31.23 N ATOM 147 CA ILE A 11 9.749 -4.794 10.602 1.00 71.44 C ATOM 148 C ILE A 11 9.924 -3.939 11.852 1.00 44.25 C ATOM 149 O ILE A 11 9.800 -4.429 12.973 1.00 32.12 O ATOM 150 CB ILE A 11 11.086 -5.486 10.275 1.00 74.21 C ATOM 151 CG1 ILE A 11 11.245 -6.757 11.112 1.00 71.34 C ATOM 152 CG2 ILE A 11 12.248 -4.535 10.519 1.00 32.35 C ATOM 153 CD1 ILE A 11 11.344 -8.018 10.282 1.00 20.30 C ATOM 0 H ILE A 11 9.818 -4.105 8.623 1.00 31.23 H new ATOM 0 HA ILE A 11 8.991 -5.555 10.789 1.00 71.44 H new ATOM 0 HB ILE A 11 11.086 -5.765 9.221 1.00 74.21 H new ATOM 0 HG12 ILE A 11 12.139 -6.667 11.729 1.00 71.34 H new ATOM 0 HG13 ILE A 11 10.397 -6.844 11.791 1.00 71.34 H new ATOM 0 HG21 ILE A 11 13.186 -5.038 10.284 1.00 32.35 H new ATOM 0 HG22 ILE A 11 12.138 -3.656 9.884 1.00 32.35 H new ATOM 0 HG23 ILE A 11 12.254 -4.228 11.565 1.00 32.35 H new ATOM 0 HD11 ILE A 11 11.455 -8.879 10.941 1.00 20.30 H new ATOM 0 HD12 ILE A 11 10.440 -8.132 9.685 1.00 20.30 H new ATOM 0 HD13 ILE A 11 12.209 -7.952 9.622 1.00 20.30 H new ATOM 165 N GLU A 12 10.213 -2.657 11.649 1.00 53.10 N ATOM 166 CA GLU A 12 10.404 -1.733 12.761 1.00 41.24 C ATOM 167 C GLU A 12 9.226 -1.794 13.728 1.00 32.33 C ATOM 168 O GLU A 12 9.401 -1.702 14.943 1.00 24.24 O ATOM 169 CB GLU A 12 10.577 -0.304 12.241 1.00 24.11 C ATOM 170 CG GLU A 12 11.326 0.606 13.201 1.00 72.15 C ATOM 171 CD GLU A 12 11.188 2.073 12.841 1.00 61.51 C ATOM 172 OE1 GLU A 12 11.944 2.543 11.965 1.00 20.24 O ATOM 173 OE2 GLU A 12 10.324 2.750 13.435 1.00 35.25 O ATOM 0 H GLU A 12 10.320 -2.235 10.726 1.00 53.10 H new ATOM 0 HA GLU A 12 11.306 -2.030 13.296 1.00 41.24 H new ATOM 0 HB2 GLU A 12 11.111 -0.334 11.291 1.00 24.11 H new ATOM 0 HB3 GLU A 12 9.594 0.123 12.041 1.00 24.11 H new ATOM 0 HG2 GLU A 12 10.952 0.447 14.213 1.00 72.15 H new ATOM 0 HG3 GLU A 12 12.382 0.334 13.205 1.00 72.15 H new ATOM 180 N ARG A 13 8.025 -1.950 13.180 1.00 21.12 N ATOM 181 CA ARG A 13 6.817 -2.022 13.994 1.00 64.12 C ATOM 182 C ARG A 13 6.706 -3.379 14.683 1.00 42.02 C ATOM 183 O ARG A 13 6.255 -3.472 15.824 1.00 40.50 O ATOM 184 CB ARG A 13 5.579 -1.774 13.130 1.00 5.30 C ATOM 185 CG ARG A 13 4.658 -0.698 13.681 1.00 1.12 C ATOM 186 CD ARG A 13 4.716 0.569 12.841 1.00 35.43 C ATOM 187 NE ARG A 13 4.867 1.765 13.665 1.00 51.12 N ATOM 188 CZ ARG A 13 4.925 2.996 13.169 1.00 54.10 C ATOM 189 NH1 ARG A 13 4.843 3.192 11.860 1.00 24.41 N ATOM 190 NH2 ARG A 13 5.063 4.035 13.983 1.00 22.20 N ATOM 0 H ARG A 13 7.863 -2.029 12.176 1.00 21.12 H new ATOM 0 HA ARG A 13 6.878 -1.249 14.760 1.00 64.12 H new ATOM 0 HB2 ARG A 13 5.897 -1.489 12.127 1.00 5.30 H new ATOM 0 HB3 ARG A 13 5.020 -2.705 13.035 1.00 5.30 H new ATOM 0 HG2 ARG A 13 3.635 -1.072 13.707 1.00 1.12 H new ATOM 0 HG3 ARG A 13 4.940 -0.468 14.709 1.00 1.12 H new ATOM 0 HD2 ARG A 13 5.550 0.503 12.142 1.00 35.43 H new ATOM 0 HD3 ARG A 13 3.807 0.651 12.246 1.00 35.43 H new ATOM 0 HE ARG A 13 4.931 1.649 14.676 1.00 51.12 H new ATOM 0 HH11 ARG A 13 4.735 2.396 11.231 1.00 24.41 H new ATOM 0 HH12 ARG A 13 4.888 4.138 11.482 1.00 24.41 H new ATOM 0 HH21 ARG A 13 5.125 3.889 14.991 1.00 22.20 H new ATOM 0 HH22 ARG A 13 5.107 4.980 13.601 1.00 22.20 H new ATOM 204 N ALA A 14 7.120 -4.429 13.981 1.00 2.11 N ATOM 205 CA ALA A 14 7.069 -5.780 14.525 1.00 35.14 C ATOM 206 C ALA A 14 7.811 -5.865 15.855 1.00 61.24 C ATOM 207 O ALA A 14 7.276 -6.367 16.844 1.00 43.02 O ATOM 208 CB ALA A 14 7.649 -6.773 13.530 1.00 44.15 C ATOM 0 H ALA A 14 7.494 -4.370 13.034 1.00 2.11 H new ATOM 0 HA ALA A 14 6.024 -6.033 14.705 1.00 35.14 H new ATOM 0 HB1 ALA A 14 7.604 -7.778 13.950 1.00 44.15 H new ATOM 0 HB2 ALA A 14 7.073 -6.740 12.605 1.00 44.15 H new ATOM 0 HB3 ALA A 14 8.687 -6.514 13.320 1.00 44.15 H new ATOM 214 N ILE A 15 9.045 -5.373 15.870 1.00 22.11 N ATOM 215 CA ILE A 15 9.860 -5.394 17.078 1.00 2.33 C ATOM 216 C ILE A 15 9.287 -4.465 18.144 1.00 65.13 C ATOM 217 O ILE A 15 9.359 -4.756 19.337 1.00 2.03 O ATOM 218 CB ILE A 15 11.315 -4.983 16.783 1.00 12.33 C ATOM 219 CG1 ILE A 15 12.160 -5.067 18.056 1.00 13.32 C ATOM 220 CG2 ILE A 15 11.361 -3.577 16.202 1.00 33.43 C ATOM 221 CD1 ILE A 15 13.594 -5.475 17.804 1.00 41.15 C ATOM 0 H ILE A 15 9.502 -4.955 15.060 1.00 22.11 H new ATOM 0 HA ILE A 15 9.849 -6.419 17.448 1.00 2.33 H new ATOM 0 HB ILE A 15 11.730 -5.673 16.048 1.00 12.33 H new ATOM 0 HG12 ILE A 15 12.149 -4.098 18.554 1.00 13.32 H new ATOM 0 HG13 ILE A 15 11.702 -5.782 18.740 1.00 13.32 H new ATOM 0 HG21 ILE A 15 12.396 -3.301 15.999 1.00 33.43 H new ATOM 0 HG22 ILE A 15 10.789 -3.548 15.275 1.00 33.43 H new ATOM 0 HG23 ILE A 15 10.931 -2.874 16.916 1.00 33.43 H new ATOM 0 HD11 ILE A 15 14.133 -5.514 18.751 1.00 41.15 H new ATOM 0 HD12 ILE A 15 13.615 -6.458 17.334 1.00 41.15 H new ATOM 0 HD13 ILE A 15 14.069 -4.748 17.146 1.00 41.15 H new ATOM 233 N GLN A 16 8.718 -3.348 17.703 1.00 50.00 N ATOM 234 CA GLN A 16 8.132 -2.377 18.619 1.00 34.13 C ATOM 235 C GLN A 16 7.016 -3.011 19.444 1.00 65.50 C ATOM 236 O GLN A 16 6.689 -2.538 20.532 1.00 42.34 O ATOM 237 CB GLN A 16 7.588 -1.176 17.844 1.00 43.32 C ATOM 238 CG GLN A 16 8.569 -0.018 17.751 1.00 51.23 C ATOM 239 CD GLN A 16 8.144 1.175 18.584 1.00 40.20 C ATOM 240 OE1 GLN A 16 8.872 1.617 19.473 1.00 24.01 O ATOM 241 NE2 GLN A 16 6.960 1.704 18.300 1.00 15.13 N ATOM 0 H GLN A 16 8.650 -3.093 16.718 1.00 50.00 H new ATOM 0 HA GLN A 16 8.915 -2.039 19.298 1.00 34.13 H new ATOM 0 HB2 GLN A 16 7.319 -1.495 16.837 1.00 43.32 H new ATOM 0 HB3 GLN A 16 6.673 -0.829 18.324 1.00 43.32 H new ATOM 0 HG2 GLN A 16 9.553 -0.353 18.079 1.00 51.23 H new ATOM 0 HG3 GLN A 16 8.667 0.287 16.709 1.00 51.23 H new ATOM 0 HE21 GLN A 16 6.389 1.306 17.555 1.00 15.13 H new ATOM 0 HE22 GLN A 16 6.621 2.509 18.827 1.00 15.13 H new ATOM 250 N ALA A 17 6.436 -4.086 18.919 1.00 44.44 N ATOM 251 CA ALA A 17 5.359 -4.786 19.607 1.00 41.30 C ATOM 252 C ALA A 17 5.748 -5.115 21.044 1.00 4.42 C ATOM 253 O ALA A 17 5.062 -4.724 21.987 1.00 15.23 O ATOM 254 CB ALA A 17 4.989 -6.055 18.855 1.00 64.44 C ATOM 0 H ALA A 17 6.695 -4.491 18.019 1.00 44.44 H new ATOM 0 HA ALA A 17 4.491 -4.127 19.635 1.00 41.30 H new ATOM 0 HB1 ALA A 17 4.183 -6.568 19.381 1.00 64.44 H new ATOM 0 HB2 ALA A 17 4.660 -5.798 17.848 1.00 64.44 H new ATOM 0 HB3 ALA A 17 5.858 -6.710 18.797 1.00 64.44 H new ATOM 260 N GLU A 18 6.854 -5.836 21.203 1.00 50.32 N ATOM 261 CA GLU A 18 7.333 -6.218 22.526 1.00 14.11 C ATOM 262 C GLU A 18 6.201 -6.803 23.366 1.00 12.31 C ATOM 263 O GLU A 18 6.122 -6.567 24.571 1.00 42.11 O ATOM 264 CB GLU A 18 7.941 -5.010 23.241 1.00 3.22 C ATOM 265 CG GLU A 18 9.334 -4.651 22.751 1.00 2.15 C ATOM 266 CD GLU A 18 9.679 -3.193 22.989 1.00 74.40 C ATOM 267 OE1 GLU A 18 9.293 -2.349 22.153 1.00 34.50 O ATOM 268 OE2 GLU A 18 10.334 -2.897 24.010 1.00 54.43 O ATOM 0 H GLU A 18 7.434 -6.167 20.432 1.00 50.32 H new ATOM 0 HA GLU A 18 8.101 -6.981 22.400 1.00 14.11 H new ATOM 0 HB2 GLU A 18 7.285 -4.150 23.106 1.00 3.22 H new ATOM 0 HB3 GLU A 18 7.983 -5.215 24.311 1.00 3.22 H new ATOM 0 HG2 GLU A 18 10.066 -5.281 23.256 1.00 2.15 H new ATOM 0 HG3 GLU A 18 9.408 -4.869 21.685 1.00 2.15 H new ATOM 275 N ASN A 19 5.326 -7.567 22.720 1.00 51.52 N ATOM 276 CA ASN A 19 4.197 -8.185 23.406 1.00 3.42 C ATOM 277 C ASN A 19 4.580 -9.555 23.956 1.00 33.25 C ATOM 278 O ASN A 19 4.776 -9.718 25.160 1.00 32.42 O ATOM 279 CB ASN A 19 3.006 -8.319 22.455 1.00 44.40 C ATOM 280 CG ASN A 19 1.781 -8.892 23.140 1.00 12.31 C ATOM 281 OD1 ASN A 19 1.492 -8.569 24.293 1.00 64.03 O ATOM 282 ND2 ASN A 19 1.053 -9.747 22.432 1.00 60.32 N ATOM 0 H ASN A 19 5.377 -7.773 21.722 1.00 51.52 H new ATOM 0 HA ASN A 19 3.915 -7.543 24.241 1.00 3.42 H new ATOM 0 HB2 ASN A 19 2.763 -7.340 22.041 1.00 44.40 H new ATOM 0 HB3 ASN A 19 3.283 -8.959 21.618 1.00 44.40 H new ATOM 0 HD21 ASN A 19 0.217 -10.165 22.840 1.00 60.32 H new ATOM 0 HD22 ASN A 19 1.330 -9.986 21.480 1.00 60.32 H new ATOM 289 N GLU A 20 4.684 -10.537 23.066 1.00 50.53 N ATOM 290 CA GLU A 20 5.043 -11.893 23.463 1.00 52.11 C ATOM 291 C GLU A 20 5.081 -12.822 22.253 1.00 42.01 C ATOM 292 O GLU A 20 6.046 -13.558 22.052 1.00 22.33 O ATOM 293 CB GLU A 20 4.048 -12.425 24.497 1.00 64.21 C ATOM 294 CG GLU A 20 2.595 -12.219 24.106 1.00 13.41 C ATOM 295 CD GLU A 20 1.634 -12.562 25.228 1.00 24.21 C ATOM 296 OE1 GLU A 20 2.037 -13.304 26.148 1.00 1.03 O ATOM 297 OE2 GLU A 20 0.480 -12.088 25.186 1.00 75.43 O ATOM 0 H GLU A 20 4.525 -10.419 22.065 1.00 50.53 H new ATOM 0 HA GLU A 20 6.038 -11.863 23.908 1.00 52.11 H new ATOM 0 HB2 GLU A 20 4.228 -13.490 24.647 1.00 64.21 H new ATOM 0 HB3 GLU A 20 4.232 -11.933 25.452 1.00 64.21 H new ATOM 0 HG2 GLU A 20 2.446 -11.181 23.810 1.00 13.41 H new ATOM 0 HG3 GLU A 20 2.366 -12.834 23.236 1.00 13.41 H new ATOM 304 N GLY A 21 4.023 -12.782 21.449 1.00 12.41 N ATOM 305 CA GLY A 21 3.955 -13.624 20.270 1.00 75.34 C ATOM 306 C GLY A 21 3.451 -12.876 19.051 1.00 63.30 C ATOM 307 O GLY A 21 3.244 -13.469 17.992 1.00 34.33 O ATOM 0 H GLY A 21 3.212 -12.181 21.594 1.00 12.41 H new ATOM 0 HA2 GLY A 21 4.944 -14.030 20.060 1.00 75.34 H new ATOM 0 HA3 GLY A 21 3.299 -14.471 20.470 1.00 75.34 H new ATOM 311 N ARG A 22 3.253 -11.571 19.200 1.00 1.42 N ATOM 312 CA ARG A 22 2.768 -10.741 18.104 1.00 60.34 C ATOM 313 C ARG A 22 3.716 -10.809 16.910 1.00 23.01 C ATOM 314 O ARG A 22 3.282 -10.937 15.765 1.00 34.33 O ATOM 315 CB ARG A 22 2.612 -9.291 18.563 1.00 5.53 C ATOM 316 CG ARG A 22 1.212 -8.952 19.049 1.00 64.23 C ATOM 317 CD ARG A 22 1.205 -7.685 19.889 1.00 2.11 C ATOM 318 NE ARG A 22 0.453 -6.609 19.250 1.00 50.41 N ATOM 319 CZ ARG A 22 0.406 -5.366 19.718 1.00 62.22 C ATOM 320 NH1 ARG A 22 1.065 -5.045 20.823 1.00 61.24 N ATOM 321 NH2 ARG A 22 -0.300 -4.442 19.080 1.00 54.12 N ATOM 0 H ARG A 22 3.421 -11.065 20.070 1.00 1.42 H new ATOM 0 HA ARG A 22 1.795 -11.123 17.796 1.00 60.34 H new ATOM 0 HB2 ARG A 22 3.323 -9.094 19.365 1.00 5.53 H new ATOM 0 HB3 ARG A 22 2.871 -8.628 17.738 1.00 5.53 H new ATOM 0 HG2 ARG A 22 0.549 -8.826 18.193 1.00 64.23 H new ATOM 0 HG3 ARG A 22 0.819 -9.782 19.637 1.00 64.23 H new ATOM 0 HD2 ARG A 22 0.771 -7.900 20.866 1.00 2.11 H new ATOM 0 HD3 ARG A 22 2.231 -7.358 20.061 1.00 2.11 H new ATOM 0 HE ARG A 22 -0.065 -6.823 18.398 1.00 50.41 H new ATOM 0 HH11 ARG A 22 1.610 -5.753 21.316 1.00 61.24 H new ATOM 0 HH12 ARG A 22 1.027 -4.090 21.180 1.00 61.24 H new ATOM 0 HH21 ARG A 22 -0.808 -4.685 18.229 1.00 54.12 H new ATOM 0 HH22 ARG A 22 -0.335 -3.488 19.440 1.00 54.12 H new ATOM 335 N TYR A 23 5.013 -10.721 17.186 1.00 72.53 N ATOM 336 CA TYR A 23 6.022 -10.770 16.135 1.00 45.31 C ATOM 337 C TYR A 23 5.806 -11.976 15.227 1.00 65.52 C ATOM 338 O TYR A 23 6.129 -11.940 14.039 1.00 4.53 O ATOM 339 CB TYR A 23 7.423 -10.822 16.747 1.00 64.22 C ATOM 340 CG TYR A 23 7.777 -12.169 17.336 1.00 71.24 C ATOM 341 CD1 TYR A 23 7.123 -12.650 18.463 1.00 72.10 C ATOM 342 CD2 TYR A 23 8.765 -12.962 16.764 1.00 52.55 C ATOM 343 CE1 TYR A 23 7.443 -13.880 19.005 1.00 42.24 C ATOM 344 CE2 TYR A 23 9.091 -14.193 17.298 1.00 72.35 C ATOM 345 CZ TYR A 23 8.428 -14.648 18.418 1.00 14.33 C ATOM 346 OH TYR A 23 8.749 -15.874 18.954 1.00 53.11 O ATOM 0 H TYR A 23 5.390 -10.615 18.128 1.00 72.53 H new ATOM 0 HA TYR A 23 5.928 -9.865 15.534 1.00 45.31 H new ATOM 0 HB2 TYR A 23 8.155 -10.566 15.981 1.00 64.22 H new ATOM 0 HB3 TYR A 23 7.499 -10.063 17.526 1.00 64.22 H new ATOM 0 HD1 TYR A 23 6.351 -12.052 18.924 1.00 72.10 H new ATOM 0 HD2 TYR A 23 9.287 -12.609 15.887 1.00 52.55 H new ATOM 0 HE1 TYR A 23 6.925 -14.238 19.883 1.00 42.24 H new ATOM 0 HE2 TYR A 23 9.861 -14.796 16.841 1.00 72.35 H new ATOM 0 HH TYR A 23 9.611 -16.172 18.596 1.00 53.11 H new ATOM 356 N ARG A 24 5.257 -13.045 15.795 1.00 62.24 N ATOM 357 CA ARG A 24 4.998 -14.264 15.038 1.00 52.02 C ATOM 358 C ARG A 24 4.058 -13.988 13.868 1.00 52.11 C ATOM 359 O ARG A 24 4.336 -14.372 12.733 1.00 51.05 O ATOM 360 CB ARG A 24 4.396 -15.336 15.948 1.00 74.23 C ATOM 361 CG ARG A 24 4.209 -16.681 15.264 1.00 54.43 C ATOM 362 CD ARG A 24 2.738 -16.983 15.023 1.00 31.52 C ATOM 363 NE ARG A 24 2.537 -17.822 13.844 1.00 4.22 N ATOM 364 CZ ARG A 24 2.817 -19.120 13.809 1.00 11.14 C ATOM 365 NH1 ARG A 24 3.306 -19.725 14.883 1.00 73.21 N ATOM 366 NH2 ARG A 24 2.607 -19.815 12.699 1.00 31.40 N ATOM 0 H ARG A 24 4.983 -13.092 16.776 1.00 62.24 H new ATOM 0 HA ARG A 24 5.947 -14.625 14.642 1.00 52.02 H new ATOM 0 HB2 ARG A 24 5.041 -15.466 16.817 1.00 74.23 H new ATOM 0 HB3 ARG A 24 3.431 -14.988 16.316 1.00 74.23 H new ATOM 0 HG2 ARG A 24 4.743 -16.685 14.314 1.00 54.43 H new ATOM 0 HG3 ARG A 24 4.647 -17.467 15.879 1.00 54.43 H new ATOM 0 HD2 ARG A 24 2.322 -17.482 15.898 1.00 31.52 H new ATOM 0 HD3 ARG A 24 2.191 -16.048 14.900 1.00 31.52 H new ATOM 0 HE ARG A 24 2.161 -17.387 13.001 1.00 4.22 H new ATOM 0 HH11 ARG A 24 3.468 -19.194 15.738 1.00 73.21 H new ATOM 0 HH12 ARG A 24 3.520 -20.722 14.854 1.00 73.21 H new ATOM 0 HH21 ARG A 24 2.230 -19.353 11.871 1.00 31.40 H new ATOM 0 HH22 ARG A 24 2.822 -20.812 12.673 1.00 31.40 H new ATOM 380 N GLU A 25 2.945 -13.320 14.155 1.00 74.23 N ATOM 381 CA GLU A 25 1.964 -12.994 13.126 1.00 34.52 C ATOM 382 C GLU A 25 2.454 -11.845 12.251 1.00 1.51 C ATOM 383 O GLU A 25 2.016 -11.687 11.112 1.00 13.42 O ATOM 384 CB GLU A 25 0.623 -12.627 13.766 1.00 4.25 C ATOM 385 CG GLU A 25 0.521 -11.165 14.168 1.00 43.11 C ATOM 386 CD GLU A 25 -0.302 -10.961 15.425 1.00 72.22 C ATOM 387 OE1 GLU A 25 -1.338 -11.642 15.573 1.00 72.31 O ATOM 388 OE2 GLU A 25 0.090 -10.120 16.261 1.00 64.34 O ATOM 0 H GLU A 25 2.700 -12.994 15.090 1.00 74.23 H new ATOM 0 HA GLU A 25 1.829 -13.874 12.497 1.00 34.52 H new ATOM 0 HB2 GLU A 25 -0.180 -12.860 13.066 1.00 4.25 H new ATOM 0 HB3 GLU A 25 0.468 -13.249 14.647 1.00 4.25 H new ATOM 0 HG2 GLU A 25 1.523 -10.765 14.325 1.00 43.11 H new ATOM 0 HG3 GLU A 25 0.076 -10.598 13.351 1.00 43.11 H new ATOM 395 N ALA A 26 3.366 -11.044 12.793 1.00 42.02 N ATOM 396 CA ALA A 26 3.918 -9.910 12.062 1.00 13.31 C ATOM 397 C ALA A 26 4.922 -10.370 11.011 1.00 54.25 C ATOM 398 O ALA A 26 4.927 -9.874 9.883 1.00 13.31 O ATOM 399 CB ALA A 26 4.571 -8.929 13.025 1.00 51.03 C ATOM 0 H ALA A 26 3.738 -11.160 13.736 1.00 42.02 H new ATOM 0 HA ALA A 26 3.099 -9.407 11.548 1.00 13.31 H new ATOM 0 HB1 ALA A 26 4.979 -8.087 12.466 1.00 51.03 H new ATOM 0 HB2 ALA A 26 3.828 -8.567 13.735 1.00 51.03 H new ATOM 0 HB3 ALA A 26 5.375 -9.430 13.565 1.00 51.03 H new ATOM 405 N LEU A 27 5.771 -11.320 11.386 1.00 52.11 N ATOM 406 CA LEU A 27 6.781 -11.847 10.475 1.00 52.03 C ATOM 407 C LEU A 27 6.130 -12.539 9.281 1.00 14.14 C ATOM 408 O LEU A 27 6.697 -12.582 8.189 1.00 32.44 O ATOM 409 CB LEU A 27 7.697 -12.827 11.209 1.00 21.03 C ATOM 410 CG LEU A 27 8.690 -12.208 12.194 1.00 62.23 C ATOM 411 CD1 LEU A 27 9.517 -13.291 12.869 1.00 23.01 C ATOM 412 CD2 LEU A 27 9.593 -11.210 11.484 1.00 51.21 C ATOM 0 H LEU A 27 5.780 -11.741 12.315 1.00 52.11 H new ATOM 0 HA LEU A 27 7.375 -11.010 10.107 1.00 52.03 H new ATOM 0 HB2 LEU A 27 7.074 -13.539 11.751 1.00 21.03 H new ATOM 0 HB3 LEU A 27 8.258 -13.395 10.467 1.00 21.03 H new ATOM 0 HG LEU A 27 8.128 -11.677 12.962 1.00 62.23 H new ATOM 0 HD11 LEU A 27 10.218 -12.832 13.566 1.00 23.01 H new ATOM 0 HD12 LEU A 27 8.857 -13.968 13.411 1.00 23.01 H new ATOM 0 HD13 LEU A 27 10.070 -13.850 12.114 1.00 23.01 H new ATOM 0 HD21 LEU A 27 10.293 -10.779 12.200 1.00 51.21 H new ATOM 0 HD22 LEU A 27 10.147 -11.718 10.695 1.00 51.21 H new ATOM 0 HD23 LEU A 27 8.986 -10.417 11.048 1.00 51.21 H new ATOM 424 N LYS A 28 4.934 -13.077 9.496 1.00 21.43 N ATOM 425 CA LYS A 28 4.203 -13.764 8.439 1.00 75.53 C ATOM 426 C LYS A 28 4.104 -12.893 7.190 1.00 24.25 C ATOM 427 O LYS A 28 4.069 -13.400 6.069 1.00 54.03 O ATOM 428 CB LYS A 28 2.800 -14.141 8.922 1.00 23.30 C ATOM 429 CG LYS A 28 2.356 -15.525 8.480 1.00 10.12 C ATOM 430 CD LYS A 28 1.098 -15.462 7.630 1.00 44.42 C ATOM 431 CE LYS A 28 -0.133 -15.180 8.476 1.00 14.14 C ATOM 432 NZ LYS A 28 -1.391 -15.519 7.755 1.00 15.13 N ATOM 0 H LYS A 28 4.451 -13.050 10.394 1.00 21.43 H new ATOM 0 HA LYS A 28 4.750 -14.672 8.185 1.00 75.53 H new ATOM 0 HB2 LYS A 28 2.774 -14.091 10.011 1.00 23.30 H new ATOM 0 HB3 LYS A 28 2.087 -13.404 8.552 1.00 23.30 H new ATOM 0 HG2 LYS A 28 3.156 -16.001 7.913 1.00 10.12 H new ATOM 0 HG3 LYS A 28 2.173 -16.147 9.356 1.00 10.12 H new ATOM 0 HD2 LYS A 28 1.207 -14.684 6.874 1.00 44.42 H new ATOM 0 HD3 LYS A 28 0.968 -16.406 7.100 1.00 44.42 H new ATOM 0 HE2 LYS A 28 -0.078 -15.755 9.400 1.00 14.14 H new ATOM 0 HE3 LYS A 28 -0.148 -14.127 8.756 1.00 14.14 H new ATOM 0 HZ1 LYS A 28 -2.207 -15.312 8.365 1.00 15.13 H new ATOM 0 HZ2 LYS A 28 -1.456 -14.952 6.886 1.00 15.13 H new ATOM 0 HZ3 LYS A 28 -1.389 -16.530 7.510 1.00 15.13 H new ATOM 446 N HIS A 29 4.063 -11.580 7.393 1.00 73.04 N ATOM 447 CA HIS A 29 3.971 -10.638 6.283 1.00 70.23 C ATOM 448 C HIS A 29 5.288 -10.573 5.516 1.00 42.44 C ATOM 449 O HIS A 29 5.299 -10.452 4.290 1.00 25.43 O ATOM 450 CB HIS A 29 3.596 -9.247 6.796 1.00 64.52 C ATOM 451 CG HIS A 29 3.014 -8.357 5.742 1.00 52.01 C ATOM 452 ND1 HIS A 29 2.817 -7.004 5.924 1.00 63.31 N ATOM 453 CD2 HIS A 29 2.586 -8.632 4.488 1.00 72.43 C ATOM 454 CE1 HIS A 29 2.292 -6.487 4.828 1.00 51.40 C ATOM 455 NE2 HIS A 29 2.142 -7.454 3.941 1.00 51.42 N ATOM 0 H HIS A 29 4.092 -11.144 8.315 1.00 73.04 H new ATOM 0 HA HIS A 29 3.193 -10.988 5.605 1.00 70.23 H new ATOM 0 HB2 HIS A 29 2.878 -9.350 7.610 1.00 64.52 H new ATOM 0 HB3 HIS A 29 4.484 -8.771 7.212 1.00 64.52 H new ATOM 0 HD2 HIS A 29 2.593 -9.599 4.007 1.00 72.43 H new ATOM 0 HE1 HIS A 29 2.030 -5.450 4.682 1.00 51.40 H new ATOM 0 HE2 HIS A 29 1.759 -7.343 3.002 1.00 51.42 H new ATOM 463 N PHE A 30 6.396 -10.652 6.245 1.00 44.54 N ATOM 464 CA PHE A 30 7.719 -10.599 5.633 1.00 62.30 C ATOM 465 C PHE A 30 8.092 -11.949 5.027 1.00 20.44 C ATOM 466 O PHE A 30 8.791 -12.017 4.015 1.00 21.14 O ATOM 467 CB PHE A 30 8.767 -10.185 6.668 1.00 21.21 C ATOM 468 CG PHE A 30 8.352 -9.008 7.504 1.00 75.50 C ATOM 469 CD1 PHE A 30 7.756 -7.902 6.919 1.00 22.35 C ATOM 470 CD2 PHE A 30 8.557 -9.008 8.874 1.00 32.33 C ATOM 471 CE1 PHE A 30 7.372 -6.818 7.686 1.00 43.12 C ATOM 472 CE2 PHE A 30 8.175 -7.927 9.646 1.00 74.13 C ATOM 473 CZ PHE A 30 7.583 -6.830 9.051 1.00 72.14 C ATOM 0 H PHE A 30 6.404 -10.753 7.260 1.00 44.54 H new ATOM 0 HA PHE A 30 7.693 -9.857 4.835 1.00 62.30 H new ATOM 0 HB2 PHE A 30 8.973 -11.031 7.323 1.00 21.21 H new ATOM 0 HB3 PHE A 30 9.698 -9.945 6.155 1.00 21.21 H new ATOM 0 HD1 PHE A 30 7.590 -7.887 5.852 1.00 22.35 H new ATOM 0 HD2 PHE A 30 9.021 -9.863 9.344 1.00 32.33 H new ATOM 0 HE1 PHE A 30 6.907 -5.962 7.218 1.00 43.12 H new ATOM 0 HE2 PHE A 30 8.339 -7.940 10.713 1.00 74.13 H new ATOM 0 HZ PHE A 30 7.286 -5.983 9.652 1.00 72.14 H new ATOM 483 N LEU A 31 7.621 -13.022 5.654 1.00 63.13 N ATOM 484 CA LEU A 31 7.905 -14.372 5.178 1.00 12.31 C ATOM 485 C LEU A 31 7.464 -14.542 3.728 1.00 40.22 C ATOM 486 O LEU A 31 8.106 -15.251 2.953 1.00 52.25 O ATOM 487 CB LEU A 31 7.201 -15.403 6.061 1.00 32.33 C ATOM 488 CG LEU A 31 8.102 -16.445 6.726 1.00 40.24 C ATOM 489 CD1 LEU A 31 8.985 -15.793 7.778 1.00 1.13 C ATOM 490 CD2 LEU A 31 7.267 -17.557 7.342 1.00 33.32 C ATOM 0 H LEU A 31 7.041 -12.984 6.492 1.00 63.13 H new ATOM 0 HA LEU A 31 8.982 -14.531 5.232 1.00 12.31 H new ATOM 0 HB2 LEU A 31 6.656 -14.872 6.842 1.00 32.33 H new ATOM 0 HB3 LEU A 31 6.461 -15.926 5.455 1.00 32.33 H new ATOM 0 HG LEU A 31 8.745 -16.882 5.962 1.00 40.24 H new ATOM 0 HD11 LEU A 31 9.619 -16.549 8.240 1.00 1.13 H new ATOM 0 HD12 LEU A 31 9.610 -15.033 7.308 1.00 1.13 H new ATOM 0 HD13 LEU A 31 8.360 -15.328 8.540 1.00 1.13 H new ATOM 0 HD21 LEU A 31 7.925 -18.289 7.810 1.00 33.32 H new ATOM 0 HD22 LEU A 31 6.599 -17.137 8.093 1.00 33.32 H new ATOM 0 HD23 LEU A 31 6.678 -18.043 6.564 1.00 33.32 H new ATOM 502 N ASP A 32 6.367 -13.885 3.368 1.00 73.33 N ATOM 503 CA ASP A 32 5.842 -13.961 2.009 1.00 14.13 C ATOM 504 C ASP A 32 6.738 -13.200 1.037 1.00 13.12 C ATOM 505 O ASP A 32 6.682 -13.416 -0.173 1.00 5.33 O ATOM 506 CB ASP A 32 4.420 -13.400 1.957 1.00 13.04 C ATOM 507 CG ASP A 32 3.626 -13.942 0.785 1.00 50.11 C ATOM 508 OD1 ASP A 32 3.937 -15.060 0.323 1.00 5.11 O ATOM 509 OD2 ASP A 32 2.693 -13.249 0.330 1.00 53.44 O ATOM 0 H ASP A 32 5.824 -13.294 3.998 1.00 73.33 H new ATOM 0 HA ASP A 32 5.822 -15.009 1.712 1.00 14.13 H new ATOM 0 HB2 ASP A 32 3.903 -13.642 2.885 1.00 13.04 H new ATOM 0 HB3 ASP A 32 4.464 -12.313 1.891 1.00 13.04 H new ATOM 514 N GLY A 33 7.563 -12.307 1.576 1.00 52.03 N ATOM 515 CA GLY A 33 8.458 -11.527 0.742 1.00 40.53 C ATOM 516 C GLY A 33 9.537 -12.374 0.097 1.00 32.34 C ATOM 517 O GLY A 33 9.849 -12.205 -1.080 1.00 53.25 O ATOM 0 H GLY A 33 7.627 -12.110 2.575 1.00 52.03 H new ATOM 0 HA2 GLY A 33 7.881 -11.026 -0.035 1.00 40.53 H new ATOM 0 HA3 GLY A 33 8.924 -10.748 1.345 1.00 40.53 H new ATOM 521 N GLY A 34 10.110 -13.290 0.873 1.00 42.21 N ATOM 522 CA GLY A 34 11.156 -14.152 0.354 1.00 74.22 C ATOM 523 C GLY A 34 10.642 -15.119 -0.695 1.00 43.30 C ATOM 524 O GLY A 34 11.314 -15.374 -1.694 1.00 21.23 O ATOM 0 H GLY A 34 9.868 -13.450 1.851 1.00 42.21 H new ATOM 0 HA2 GLY A 34 11.947 -13.539 -0.078 1.00 74.22 H new ATOM 0 HA3 GLY A 34 11.601 -14.714 1.175 1.00 74.22 H new ATOM 528 N GLU A 35 9.449 -15.658 -0.467 1.00 31.30 N ATOM 529 CA GLU A 35 8.848 -16.604 -1.400 1.00 22.30 C ATOM 530 C GLU A 35 8.619 -15.955 -2.762 1.00 2.44 C ATOM 531 O GLU A 35 8.431 -16.642 -3.765 1.00 14.30 O ATOM 532 CB GLU A 35 7.523 -17.131 -0.845 1.00 2.14 C ATOM 533 CG GLU A 35 7.622 -17.642 0.583 1.00 13.40 C ATOM 534 CD GLU A 35 7.279 -19.114 0.701 1.00 72.02 C ATOM 535 OE1 GLU A 35 8.148 -19.952 0.381 1.00 73.21 O ATOM 536 OE2 GLU A 35 6.143 -19.428 1.112 1.00 34.23 O ATOM 0 H GLU A 35 8.880 -15.456 0.355 1.00 31.30 H new ATOM 0 HA GLU A 35 9.538 -17.438 -1.526 1.00 22.30 H new ATOM 0 HB2 GLU A 35 6.779 -16.335 -0.887 1.00 2.14 H new ATOM 0 HB3 GLU A 35 7.165 -17.936 -1.486 1.00 2.14 H new ATOM 0 HG2 GLU A 35 8.634 -17.478 0.954 1.00 13.40 H new ATOM 0 HG3 GLU A 35 6.951 -17.064 1.219 1.00 13.40 H new ATOM 543 N MET A 36 8.637 -14.626 -2.787 1.00 54.11 N ATOM 544 CA MET A 36 8.432 -13.883 -4.025 1.00 75.01 C ATOM 545 C MET A 36 9.577 -14.128 -5.002 1.00 43.50 C ATOM 546 O MET A 36 9.352 -14.428 -6.175 1.00 14.42 O ATOM 547 CB MET A 36 8.306 -12.387 -3.732 1.00 42.32 C ATOM 548 CG MET A 36 7.162 -12.045 -2.791 1.00 24.40 C ATOM 549 SD MET A 36 5.872 -11.071 -3.590 1.00 24.50 S ATOM 550 CE MET A 36 4.484 -12.199 -3.487 1.00 3.31 C ATOM 0 H MET A 36 8.791 -14.042 -1.965 1.00 54.11 H new ATOM 0 HA MET A 36 7.507 -14.235 -4.482 1.00 75.01 H new ATOM 0 HB2 MET A 36 9.240 -12.030 -3.299 1.00 42.32 H new ATOM 0 HB3 MET A 36 8.165 -11.852 -4.671 1.00 42.32 H new ATOM 0 HG2 MET A 36 6.728 -12.967 -2.403 1.00 24.40 H new ATOM 0 HG3 MET A 36 7.553 -11.492 -1.937 1.00 24.40 H new ATOM 0 HE1 MET A 36 3.607 -11.739 -3.941 1.00 3.31 H new ATOM 0 HE2 MET A 36 4.725 -13.121 -4.016 1.00 3.31 H new ATOM 0 HE3 MET A 36 4.275 -12.424 -2.441 1.00 3.31 H new ATOM 560 N ILE A 37 10.805 -13.997 -4.511 1.00 62.15 N ATOM 561 CA ILE A 37 11.985 -14.205 -5.342 1.00 0.13 C ATOM 562 C ILE A 37 12.292 -15.690 -5.499 1.00 21.33 C ATOM 563 O ILE A 37 12.896 -16.109 -6.486 1.00 63.50 O ATOM 564 CB ILE A 37 13.219 -13.496 -4.753 1.00 64.43 C ATOM 565 CG1 ILE A 37 14.373 -13.517 -5.758 1.00 4.03 C ATOM 566 CG2 ILE A 37 13.635 -14.155 -3.447 1.00 25.44 C ATOM 567 CD1 ILE A 37 14.067 -12.784 -7.045 1.00 3.32 C ATOM 0 H ILE A 37 11.009 -13.748 -3.543 1.00 62.15 H new ATOM 0 HA ILE A 37 11.762 -13.778 -6.320 1.00 0.13 H new ATOM 0 HB ILE A 37 12.960 -12.458 -4.547 1.00 64.43 H new ATOM 0 HG12 ILE A 37 15.254 -13.071 -5.296 1.00 4.03 H new ATOM 0 HG13 ILE A 37 14.623 -14.552 -5.990 1.00 4.03 H new ATOM 0 HG21 ILE A 37 14.508 -13.643 -3.043 1.00 25.44 H new ATOM 0 HG22 ILE A 37 12.815 -14.094 -2.731 1.00 25.44 H new ATOM 0 HG23 ILE A 37 13.880 -15.201 -3.629 1.00 25.44 H new ATOM 0 HD11 ILE A 37 14.929 -12.840 -7.710 1.00 3.32 H new ATOM 0 HD12 ILE A 37 13.205 -13.243 -7.529 1.00 3.32 H new ATOM 0 HD13 ILE A 37 13.846 -11.740 -6.825 1.00 3.32 H new ATOM 579 N VAL A 38 11.870 -16.483 -4.519 1.00 20.13 N ATOM 580 CA VAL A 38 12.097 -17.923 -4.549 1.00 31.01 C ATOM 581 C VAL A 38 11.409 -18.563 -5.750 1.00 4.31 C ATOM 582 O VAL A 38 12.000 -19.382 -6.455 1.00 1.23 O ATOM 583 CB VAL A 38 11.589 -18.598 -3.261 1.00 24.30 C ATOM 584 CG1 VAL A 38 11.741 -20.109 -3.355 1.00 13.14 C ATOM 585 CG2 VAL A 38 12.329 -18.054 -2.048 1.00 33.32 C ATOM 0 H VAL A 38 11.369 -16.152 -3.694 1.00 20.13 H new ATOM 0 HA VAL A 38 13.174 -18.072 -4.629 1.00 31.01 H new ATOM 0 HB VAL A 38 10.530 -18.370 -3.145 1.00 24.30 H new ATOM 0 HG11 VAL A 38 11.377 -20.569 -2.436 1.00 13.14 H new ATOM 0 HG12 VAL A 38 11.163 -20.481 -4.201 1.00 13.14 H new ATOM 0 HG13 VAL A 38 12.792 -20.361 -3.495 1.00 13.14 H new ATOM 0 HG21 VAL A 38 11.958 -18.542 -1.147 1.00 33.32 H new ATOM 0 HG22 VAL A 38 13.396 -18.251 -2.154 1.00 33.32 H new ATOM 0 HG23 VAL A 38 12.164 -16.979 -1.973 1.00 33.32 H new ATOM 595 N THR A 39 10.156 -18.183 -5.979 1.00 20.10 N ATOM 596 CA THR A 39 9.387 -18.720 -7.094 1.00 53.44 C ATOM 597 C THR A 39 10.158 -18.598 -8.403 1.00 65.34 C ATOM 598 O THR A 39 9.996 -19.416 -9.309 1.00 13.41 O ATOM 599 CB THR A 39 8.033 -17.999 -7.241 1.00 60.42 C ATOM 600 OG1 THR A 39 7.189 -18.722 -8.144 1.00 32.51 O ATOM 601 CG2 THR A 39 8.228 -16.579 -7.749 1.00 41.21 C ATOM 0 H THR A 39 9.652 -17.505 -5.407 1.00 20.10 H new ATOM 0 HA THR A 39 9.209 -19.773 -6.877 1.00 53.44 H new ATOM 0 HB THR A 39 7.562 -17.955 -6.259 1.00 60.42 H new ATOM 0 HG1 THR A 39 6.330 -18.258 -8.231 1.00 32.51 H new ATOM 0 HG21 THR A 39 7.258 -16.090 -7.845 1.00 41.21 H new ATOM 0 HG22 THR A 39 8.847 -16.023 -7.045 1.00 41.21 H new ATOM 0 HG23 THR A 39 8.719 -16.605 -8.722 1.00 41.21 H new ATOM 609 N ALA A 40 11.000 -17.574 -8.496 1.00 53.42 N ATOM 610 CA ALA A 40 11.799 -17.347 -9.694 1.00 31.50 C ATOM 611 C ALA A 40 12.964 -18.328 -9.770 1.00 21.33 C ATOM 612 O ALA A 40 13.250 -18.886 -10.829 1.00 4.13 O ATOM 613 CB ALA A 40 12.310 -15.915 -9.725 1.00 12.42 C ATOM 0 H ALA A 40 11.146 -16.888 -7.755 1.00 53.42 H new ATOM 0 HA ALA A 40 11.161 -17.512 -10.562 1.00 31.50 H new ATOM 0 HB1 ALA A 40 12.905 -15.760 -10.625 1.00 12.42 H new ATOM 0 HB2 ALA A 40 11.465 -15.227 -9.726 1.00 12.42 H new ATOM 0 HB3 ALA A 40 12.927 -15.730 -8.846 1.00 12.42 H new ATOM 619 N ALA A 41 13.633 -18.533 -8.640 1.00 23.41 N ATOM 620 CA ALA A 41 14.767 -19.448 -8.579 1.00 14.14 C ATOM 621 C ALA A 41 14.319 -20.891 -8.784 1.00 62.21 C ATOM 622 O ALA A 41 14.896 -21.620 -9.591 1.00 12.14 O ATOM 623 CB ALA A 41 15.491 -19.302 -7.249 1.00 21.24 C ATOM 0 H ALA A 41 13.410 -18.078 -7.755 1.00 23.41 H new ATOM 0 HA ALA A 41 15.454 -19.191 -9.385 1.00 14.14 H new ATOM 0 HB1 ALA A 41 16.335 -19.991 -7.217 1.00 21.24 H new ATOM 0 HB2 ALA A 41 15.853 -18.279 -7.142 1.00 21.24 H new ATOM 0 HB3 ALA A 41 14.805 -19.531 -6.434 1.00 21.24 H new ATOM 629 N GLU A 42 13.289 -21.297 -8.049 1.00 13.14 N ATOM 630 CA GLU A 42 12.766 -22.654 -8.150 1.00 70.43 C ATOM 631 C GLU A 42 12.417 -22.996 -9.596 1.00 60.10 C ATOM 632 O GLU A 42 12.863 -24.011 -10.131 1.00 60.24 O ATOM 633 CB GLU A 42 11.529 -22.816 -7.264 1.00 24.23 C ATOM 634 CG GLU A 42 11.803 -22.578 -5.788 1.00 51.43 C ATOM 635 CD GLU A 42 11.802 -23.861 -4.980 1.00 1.51 C ATOM 636 OE1 GLU A 42 10.740 -24.512 -4.901 1.00 61.45 O ATOM 637 OE2 GLU A 42 12.865 -24.212 -4.426 1.00 33.43 O ATOM 0 H GLU A 42 12.800 -20.706 -7.377 1.00 13.14 H new ATOM 0 HA GLU A 42 13.541 -23.340 -7.808 1.00 70.43 H new ATOM 0 HB2 GLU A 42 10.759 -22.121 -7.599 1.00 24.23 H new ATOM 0 HB3 GLU A 42 11.129 -23.822 -7.393 1.00 24.23 H new ATOM 0 HG2 GLU A 42 12.768 -22.084 -5.677 1.00 51.43 H new ATOM 0 HG3 GLU A 42 11.049 -21.900 -5.387 1.00 51.43 H new ATOM 644 N LYS A 43 11.616 -22.142 -10.223 1.00 13.51 N ATOM 645 CA LYS A 43 11.206 -22.350 -11.607 1.00 31.35 C ATOM 646 C LYS A 43 12.403 -22.260 -12.548 1.00 13.11 C ATOM 647 O LYS A 43 12.367 -22.780 -13.662 1.00 62.43 O ATOM 648 CB LYS A 43 10.149 -21.319 -12.008 1.00 73.20 C ATOM 649 CG LYS A 43 8.729 -21.858 -11.970 1.00 51.34 C ATOM 650 CD LYS A 43 7.869 -21.094 -10.977 1.00 22.42 C ATOM 651 CE LYS A 43 7.754 -21.837 -9.654 1.00 55.23 C ATOM 652 NZ LYS A 43 6.345 -21.899 -9.175 1.00 20.41 N ATOM 0 H LYS A 43 11.237 -21.298 -9.794 1.00 13.51 H new ATOM 0 HA LYS A 43 10.778 -23.349 -11.687 1.00 31.35 H new ATOM 0 HB2 LYS A 43 10.221 -20.460 -11.341 1.00 73.20 H new ATOM 0 HB3 LYS A 43 10.366 -20.961 -13.014 1.00 73.20 H new ATOM 0 HG2 LYS A 43 8.286 -21.790 -12.964 1.00 51.34 H new ATOM 0 HG3 LYS A 43 8.747 -22.914 -11.700 1.00 51.34 H new ATOM 0 HD2 LYS A 43 8.299 -20.107 -10.805 1.00 22.42 H new ATOM 0 HD3 LYS A 43 6.875 -20.940 -11.397 1.00 22.42 H new ATOM 0 HE2 LYS A 43 8.143 -22.848 -9.770 1.00 55.23 H new ATOM 0 HE3 LYS A 43 8.371 -21.342 -8.904 1.00 55.23 H new ATOM 0 HZ1 LYS A 43 6.308 -22.413 -8.271 1.00 20.41 H new ATOM 0 HZ2 LYS A 43 5.981 -20.934 -9.040 1.00 20.41 H new ATOM 0 HZ3 LYS A 43 5.761 -22.394 -9.879 1.00 20.41 H new ATOM 666 N GLU A 44 13.461 -21.597 -12.091 1.00 73.21 N ATOM 667 CA GLU A 44 14.668 -21.440 -12.894 1.00 30.33 C ATOM 668 C GLU A 44 15.601 -22.634 -12.712 1.00 72.34 C ATOM 669 O GLU A 44 15.293 -23.570 -11.974 1.00 52.44 O ATOM 670 CB GLU A 44 15.395 -20.149 -12.514 1.00 42.30 C ATOM 671 CG GLU A 44 14.868 -18.919 -13.234 1.00 13.02 C ATOM 672 CD GLU A 44 15.117 -18.966 -14.729 1.00 24.03 C ATOM 673 OE1 GLU A 44 16.299 -19.016 -15.131 1.00 32.32 O ATOM 674 OE2 GLU A 44 14.133 -18.952 -15.496 1.00 74.31 O ATOM 0 H GLU A 44 13.507 -21.161 -11.170 1.00 73.21 H new ATOM 0 HA GLU A 44 14.373 -21.388 -13.942 1.00 30.33 H new ATOM 0 HB2 GLU A 44 15.307 -19.996 -11.438 1.00 42.30 H new ATOM 0 HB3 GLU A 44 16.457 -20.261 -12.734 1.00 42.30 H new ATOM 0 HG2 GLU A 44 13.798 -18.826 -13.051 1.00 13.02 H new ATOM 0 HG3 GLU A 44 15.341 -18.029 -12.819 1.00 13.02 H new ATOM 681 N ALA A 45 16.742 -22.594 -13.392 1.00 62.41 N ATOM 682 CA ALA A 45 17.721 -23.671 -13.306 1.00 33.34 C ATOM 683 C ALA A 45 19.070 -23.233 -13.865 1.00 20.12 C ATOM 684 O ALA A 45 20.093 -23.325 -13.187 1.00 23.51 O ATOM 685 CB ALA A 45 17.217 -24.903 -14.043 1.00 35.12 C ATOM 0 H ALA A 45 17.011 -21.827 -14.009 1.00 62.41 H new ATOM 0 HA ALA A 45 17.857 -23.921 -12.254 1.00 33.34 H new ATOM 0 HB1 ALA A 45 17.958 -25.699 -13.970 1.00 35.12 H new ATOM 0 HB2 ALA A 45 16.281 -25.237 -13.596 1.00 35.12 H new ATOM 0 HB3 ALA A 45 17.050 -24.657 -15.092 1.00 35.12 H new ATOM 691 N SER A 46 19.065 -22.757 -15.106 1.00 14.33 N ATOM 692 CA SER A 46 20.289 -22.308 -15.758 1.00 25.42 C ATOM 693 C SER A 46 20.525 -20.822 -15.508 1.00 50.23 C ATOM 694 O SER A 46 20.816 -20.065 -16.434 1.00 61.43 O ATOM 695 CB SER A 46 20.221 -22.580 -17.262 1.00 35.12 C ATOM 696 OG SER A 46 21.457 -22.288 -17.890 1.00 54.30 O ATOM 0 H SER A 46 18.226 -22.672 -15.680 1.00 14.33 H new ATOM 0 HA SER A 46 21.123 -22.866 -15.333 1.00 25.42 H new ATOM 0 HB2 SER A 46 19.960 -23.624 -17.434 1.00 35.12 H new ATOM 0 HB3 SER A 46 19.431 -21.976 -17.709 1.00 35.12 H new ATOM 0 HG SER A 46 21.706 -21.358 -17.706 1.00 54.30 H new ATOM 702 N GLN A 47 20.396 -20.412 -14.251 1.00 5.34 N ATOM 703 CA GLN A 47 20.594 -19.016 -13.879 1.00 4.22 C ATOM 704 C GLN A 47 21.692 -18.883 -12.828 1.00 41.55 C ATOM 705 O GLN A 47 21.683 -19.579 -11.813 1.00 61.34 O ATOM 706 CB GLN A 47 19.290 -18.417 -13.349 1.00 61.22 C ATOM 707 CG GLN A 47 19.142 -16.932 -13.636 1.00 10.33 C ATOM 708 CD GLN A 47 18.334 -16.657 -14.888 1.00 52.35 C ATOM 709 OE1 GLN A 47 18.749 -16.997 -15.997 1.00 5.35 O ATOM 710 NE2 GLN A 47 17.171 -16.038 -14.719 1.00 41.12 N ATOM 0 H GLN A 47 20.155 -21.026 -13.473 1.00 5.34 H new ATOM 0 HA GLN A 47 20.901 -18.469 -14.771 1.00 4.22 H new ATOM 0 HB2 GLN A 47 18.449 -18.950 -13.792 1.00 61.22 H new ATOM 0 HB3 GLN A 47 19.237 -18.577 -12.272 1.00 61.22 H new ATOM 0 HG2 GLN A 47 18.663 -16.448 -12.785 1.00 10.33 H new ATOM 0 HG3 GLN A 47 20.131 -16.486 -13.741 1.00 10.33 H new ATOM 0 HE21 GLN A 47 16.865 -15.774 -13.782 1.00 41.12 H new ATOM 0 HE22 GLN A 47 16.584 -15.827 -15.526 1.00 41.12 H new ATOM 719 N LYS A 48 22.638 -17.983 -13.079 1.00 73.30 N ATOM 720 CA LYS A 48 23.743 -17.757 -12.155 1.00 60.04 C ATOM 721 C LYS A 48 23.294 -16.916 -10.965 1.00 35.34 C ATOM 722 O LYS A 48 23.836 -17.038 -9.866 1.00 54.00 O ATOM 723 CB LYS A 48 24.902 -17.063 -12.875 1.00 31.13 C ATOM 724 CG LYS A 48 25.302 -17.738 -14.175 1.00 63.30 C ATOM 725 CD LYS A 48 26.789 -17.584 -14.449 1.00 31.12 C ATOM 726 CE LYS A 48 27.531 -18.897 -14.253 1.00 71.32 C ATOM 727 NZ LYS A 48 27.856 -19.549 -15.552 1.00 24.21 N ATOM 0 H LYS A 48 22.661 -17.399 -13.915 1.00 73.30 H new ATOM 0 HA LYS A 48 24.080 -18.726 -11.786 1.00 60.04 H new ATOM 0 HB2 LYS A 48 24.623 -16.030 -13.083 1.00 31.13 H new ATOM 0 HB3 LYS A 48 25.765 -17.033 -12.210 1.00 31.13 H new ATOM 0 HG2 LYS A 48 25.047 -18.797 -14.130 1.00 63.30 H new ATOM 0 HG3 LYS A 48 24.733 -17.308 -14.999 1.00 63.30 H new ATOM 0 HD2 LYS A 48 26.937 -17.230 -15.469 1.00 31.12 H new ATOM 0 HD3 LYS A 48 27.206 -16.827 -13.785 1.00 31.12 H new ATOM 0 HE2 LYS A 48 28.451 -18.715 -13.698 1.00 71.32 H new ATOM 0 HE3 LYS A 48 26.923 -19.571 -13.650 1.00 71.32 H new ATOM 0 HZ1 LYS A 48 28.361 -20.441 -15.376 1.00 24.21 H new ATOM 0 HZ2 LYS A 48 26.977 -19.746 -16.071 1.00 24.21 H new ATOM 0 HZ3 LYS A 48 28.457 -18.916 -16.117 1.00 24.21 H new ATOM 741 N VAL A 49 22.298 -16.064 -11.190 1.00 24.15 N ATOM 742 CA VAL A 49 21.774 -15.205 -10.134 1.00 63.24 C ATOM 743 C VAL A 49 20.860 -15.984 -9.195 1.00 50.23 C ATOM 744 O VAL A 49 20.783 -15.690 -8.002 1.00 65.22 O ATOM 745 CB VAL A 49 20.996 -14.011 -10.718 1.00 11.13 C ATOM 746 CG1 VAL A 49 21.942 -13.046 -11.416 1.00 62.42 C ATOM 747 CG2 VAL A 49 19.915 -14.495 -11.672 1.00 72.12 C ATOM 0 H VAL A 49 21.838 -15.950 -12.093 1.00 24.15 H new ATOM 0 HA VAL A 49 22.631 -14.832 -9.574 1.00 63.24 H new ATOM 0 HB VAL A 49 20.513 -13.479 -9.898 1.00 11.13 H new ATOM 0 HG11 VAL A 49 21.374 -12.209 -11.822 1.00 62.42 H new ATOM 0 HG12 VAL A 49 22.675 -12.674 -10.700 1.00 62.42 H new ATOM 0 HG13 VAL A 49 22.456 -13.563 -12.226 1.00 62.42 H new ATOM 0 HG21 VAL A 49 19.375 -13.638 -12.075 1.00 72.12 H new ATOM 0 HG22 VAL A 49 20.374 -15.052 -12.489 1.00 72.12 H new ATOM 0 HG23 VAL A 49 19.220 -15.142 -11.137 1.00 72.12 H new ATOM 757 N ARG A 50 20.168 -16.978 -9.742 1.00 22.32 N ATOM 758 CA ARG A 50 19.258 -17.800 -8.953 1.00 11.52 C ATOM 759 C ARG A 50 19.885 -18.173 -7.613 1.00 64.21 C ATOM 760 O ARG A 50 19.239 -18.091 -6.570 1.00 2.05 O ATOM 761 CB ARG A 50 18.882 -19.067 -9.723 1.00 44.44 C ATOM 762 CG ARG A 50 18.121 -20.084 -8.889 1.00 4.11 C ATOM 763 CD ARG A 50 18.891 -21.389 -8.764 1.00 22.34 C ATOM 764 NE ARG A 50 19.630 -21.470 -7.507 1.00 23.43 N ATOM 765 CZ ARG A 50 20.300 -22.549 -7.116 1.00 60.12 C ATOM 766 NH1 ARG A 50 20.324 -23.632 -7.881 1.00 53.31 N ATOM 767 NH2 ARG A 50 20.948 -22.546 -5.958 1.00 44.15 N ATOM 0 H ARG A 50 20.220 -17.234 -10.728 1.00 22.32 H new ATOM 0 HA ARG A 50 18.356 -17.218 -8.763 1.00 11.52 H new ATOM 0 HB2 ARG A 50 18.276 -18.791 -10.586 1.00 44.44 H new ATOM 0 HB3 ARG A 50 19.790 -19.531 -10.107 1.00 44.44 H new ATOM 0 HG2 ARG A 50 17.933 -19.675 -7.896 1.00 4.11 H new ATOM 0 HG3 ARG A 50 17.149 -20.276 -9.344 1.00 4.11 H new ATOM 0 HD2 ARG A 50 18.197 -22.227 -8.831 1.00 22.34 H new ATOM 0 HD3 ARG A 50 19.585 -21.482 -9.599 1.00 22.34 H new ATOM 0 HE ARG A 50 19.632 -20.654 -6.896 1.00 23.43 H new ATOM 0 HH11 ARG A 50 19.827 -23.638 -8.772 1.00 53.31 H new ATOM 0 HH12 ARG A 50 20.839 -24.459 -7.578 1.00 53.31 H new ATOM 0 HH21 ARG A 50 20.932 -21.715 -5.367 1.00 44.15 H new ATOM 0 HH22 ARG A 50 21.462 -23.375 -5.659 1.00 44.15 H new ATOM 781 N ASN A 51 21.149 -18.585 -7.651 1.00 54.44 N ATOM 782 CA ASN A 51 21.863 -18.972 -6.441 1.00 23.14 C ATOM 783 C ASN A 51 21.811 -17.859 -5.398 1.00 72.32 C ATOM 784 O ASN A 51 21.490 -18.099 -4.233 1.00 60.24 O ATOM 785 CB ASN A 51 23.319 -19.311 -6.769 1.00 11.52 C ATOM 786 CG ASN A 51 24.079 -19.824 -5.562 1.00 23.54 C ATOM 787 OD1 ASN A 51 23.516 -20.502 -4.702 1.00 2.04 O ATOM 788 ND2 ASN A 51 25.366 -19.503 -5.492 1.00 70.33 N ATOM 0 H ASN A 51 21.699 -18.659 -8.507 1.00 54.44 H new ATOM 0 HA ASN A 51 21.375 -19.855 -6.028 1.00 23.14 H new ATOM 0 HB2 ASN A 51 23.345 -20.063 -7.558 1.00 11.52 H new ATOM 0 HB3 ASN A 51 23.817 -18.423 -7.158 1.00 11.52 H new ATOM 0 HD21 ASN A 51 25.929 -19.821 -4.703 1.00 70.33 H new ATOM 0 HD22 ASN A 51 25.792 -18.939 -6.228 1.00 70.33 H new ATOM 795 N LEU A 52 22.127 -16.642 -5.825 1.00 2.45 N ATOM 796 CA LEU A 52 22.116 -15.490 -4.929 1.00 33.33 C ATOM 797 C LEU A 52 20.687 -15.087 -4.578 1.00 71.41 C ATOM 798 O LEU A 52 20.425 -14.568 -3.492 1.00 64.41 O ATOM 799 CB LEU A 52 22.847 -14.311 -5.573 1.00 12.15 C ATOM 800 CG LEU A 52 23.438 -13.281 -4.609 1.00 61.12 C ATOM 801 CD1 LEU A 52 24.428 -12.381 -5.332 1.00 24.21 C ATOM 802 CD2 LEU A 52 22.333 -12.454 -3.968 1.00 60.50 C ATOM 0 H LEU A 52 22.394 -16.427 -6.786 1.00 2.45 H new ATOM 0 HA LEU A 52 22.631 -15.770 -4.010 1.00 33.33 H new ATOM 0 HB2 LEU A 52 23.653 -14.704 -6.193 1.00 12.15 H new ATOM 0 HB3 LEU A 52 22.153 -13.799 -6.240 1.00 12.15 H new ATOM 0 HG LEU A 52 23.970 -13.813 -3.820 1.00 61.12 H new ATOM 0 HD11 LEU A 52 24.838 -11.654 -4.631 1.00 24.21 H new ATOM 0 HD12 LEU A 52 25.237 -12.986 -5.743 1.00 24.21 H new ATOM 0 HD13 LEU A 52 23.920 -11.857 -6.141 1.00 24.21 H new ATOM 0 HD21 LEU A 52 22.772 -11.727 -3.285 1.00 60.50 H new ATOM 0 HD22 LEU A 52 21.773 -11.932 -4.744 1.00 60.50 H new ATOM 0 HD23 LEU A 52 21.661 -13.111 -3.415 1.00 60.50 H new ATOM 814 N LEU A 53 19.765 -15.331 -5.503 1.00 62.51 N ATOM 815 CA LEU A 53 18.361 -14.996 -5.291 1.00 63.44 C ATOM 816 C LEU A 53 17.810 -15.713 -4.063 1.00 13.10 C ATOM 817 O LEU A 53 17.137 -15.107 -3.228 1.00 31.34 O ATOM 818 CB LEU A 53 17.536 -15.367 -6.525 1.00 44.22 C ATOM 819 CG LEU A 53 17.352 -14.262 -7.566 1.00 11.42 C ATOM 820 CD1 LEU A 53 18.572 -13.355 -7.603 1.00 50.51 C ATOM 821 CD2 LEU A 53 17.088 -14.861 -8.939 1.00 65.14 C ATOM 0 H LEU A 53 19.964 -15.760 -6.407 1.00 62.51 H new ATOM 0 HA LEU A 53 18.290 -13.921 -5.124 1.00 63.44 H new ATOM 0 HB2 LEU A 53 18.009 -16.221 -7.010 1.00 44.22 H new ATOM 0 HB3 LEU A 53 16.551 -15.694 -6.194 1.00 44.22 H new ATOM 0 HG LEU A 53 16.488 -13.662 -7.282 1.00 11.42 H new ATOM 0 HD11 LEU A 53 18.423 -12.575 -8.349 1.00 50.51 H new ATOM 0 HD12 LEU A 53 18.715 -12.898 -6.624 1.00 50.51 H new ATOM 0 HD13 LEU A 53 19.454 -13.941 -7.862 1.00 50.51 H new ATOM 0 HD21 LEU A 53 16.960 -14.060 -9.667 1.00 65.14 H new ATOM 0 HD22 LEU A 53 17.932 -15.486 -9.232 1.00 65.14 H new ATOM 0 HD23 LEU A 53 16.183 -15.467 -8.903 1.00 65.14 H new ATOM 833 N LEU A 54 18.100 -17.005 -3.958 1.00 42.11 N ATOM 834 CA LEU A 54 17.635 -17.805 -2.830 1.00 4.50 C ATOM 835 C LEU A 54 18.466 -17.521 -1.583 1.00 24.43 C ATOM 836 O LEU A 54 17.929 -17.385 -0.483 1.00 73.03 O ATOM 837 CB LEU A 54 17.701 -19.294 -3.173 1.00 44.35 C ATOM 838 CG LEU A 54 16.958 -19.724 -4.439 1.00 25.23 C ATOM 839 CD1 LEU A 54 17.696 -20.861 -5.130 1.00 13.31 C ATOM 840 CD2 LEU A 54 15.532 -20.136 -4.105 1.00 71.15 C ATOM 0 H LEU A 54 18.655 -17.521 -4.640 1.00 42.11 H new ATOM 0 HA LEU A 54 16.600 -17.532 -2.625 1.00 4.50 H new ATOM 0 HB2 LEU A 54 18.749 -19.577 -3.277 1.00 44.35 H new ATOM 0 HB3 LEU A 54 17.300 -19.859 -2.331 1.00 44.35 H new ATOM 0 HG LEU A 54 16.919 -18.875 -5.122 1.00 25.23 H new ATOM 0 HD11 LEU A 54 17.153 -21.154 -6.029 1.00 13.31 H new ATOM 0 HD12 LEU A 54 18.698 -20.531 -5.403 1.00 13.31 H new ATOM 0 HD13 LEU A 54 17.766 -21.713 -4.454 1.00 13.31 H new ATOM 0 HD21 LEU A 54 15.018 -20.439 -5.017 1.00 71.15 H new ATOM 0 HD22 LEU A 54 15.549 -20.970 -3.404 1.00 71.15 H new ATOM 0 HD23 LEU A 54 15.006 -19.294 -3.654 1.00 71.15 H new ATOM 852 N HIS A 55 19.781 -17.432 -1.761 1.00 53.01 N ATOM 853 CA HIS A 55 20.686 -17.162 -0.650 1.00 44.22 C ATOM 854 C HIS A 55 20.284 -15.884 0.080 1.00 21.24 C ATOM 855 O HIS A 55 20.262 -15.841 1.311 1.00 53.54 O ATOM 856 CB HIS A 55 22.125 -17.043 -1.155 1.00 31.34 C ATOM 857 CG HIS A 55 23.151 -17.157 -0.070 1.00 3.23 C ATOM 858 ND1 HIS A 55 23.354 -16.178 0.880 1.00 52.20 N ATOM 859 CD2 HIS A 55 24.034 -18.143 0.214 1.00 3.40 C ATOM 860 CE1 HIS A 55 24.318 -16.556 1.700 1.00 42.21 C ATOM 861 NE2 HIS A 55 24.748 -17.745 1.318 1.00 52.11 N ATOM 0 H HIS A 55 20.243 -17.543 -2.664 1.00 53.01 H new ATOM 0 HA HIS A 55 20.621 -17.995 0.050 1.00 44.22 H new ATOM 0 HB2 HIS A 55 22.306 -17.820 -1.898 1.00 31.34 H new ATOM 0 HB3 HIS A 55 22.246 -16.084 -1.659 1.00 31.34 H new ATOM 0 HD2 HIS A 55 24.155 -19.070 -0.327 1.00 3.40 H new ATOM 0 HE1 HIS A 55 24.691 -15.989 2.540 1.00 42.21 H new ATOM 0 HE2 HIS A 55 25.490 -18.281 1.769 1.00 52.11 H new ATOM 869 N LYS A 56 19.968 -14.845 -0.685 1.00 73.32 N ATOM 870 CA LYS A 56 19.566 -13.566 -0.112 1.00 73.31 C ATOM 871 C LYS A 56 18.189 -13.669 0.536 1.00 32.20 C ATOM 872 O LYS A 56 17.900 -12.982 1.515 1.00 71.40 O ATOM 873 CB LYS A 56 19.553 -12.482 -1.192 1.00 2.33 C ATOM 874 CG LYS A 56 20.794 -11.605 -1.188 1.00 72.50 C ATOM 875 CD LYS A 56 20.837 -10.705 0.035 1.00 21.34 C ATOM 876 CE LYS A 56 21.146 -9.265 -0.343 1.00 44.01 C ATOM 877 NZ LYS A 56 20.437 -8.296 0.537 1.00 2.42 N ATOM 0 H LYS A 56 19.983 -14.864 -1.705 1.00 73.32 H new ATOM 0 HA LYS A 56 20.291 -13.297 0.656 1.00 73.31 H new ATOM 0 HB2 LYS A 56 19.456 -12.955 -2.169 1.00 2.33 H new ATOM 0 HB3 LYS A 56 18.673 -11.853 -1.054 1.00 2.33 H new ATOM 0 HG2 LYS A 56 21.685 -12.233 -1.210 1.00 72.50 H new ATOM 0 HG3 LYS A 56 20.812 -10.995 -2.091 1.00 72.50 H new ATOM 0 HD2 LYS A 56 19.879 -10.749 0.554 1.00 21.34 H new ATOM 0 HD3 LYS A 56 21.593 -11.070 0.730 1.00 21.34 H new ATOM 0 HE2 LYS A 56 22.221 -9.095 -0.278 1.00 44.01 H new ATOM 0 HE3 LYS A 56 20.858 -9.092 -1.380 1.00 44.01 H new ATOM 0 HZ1 LYS A 56 20.674 -7.326 0.247 1.00 2.42 H new ATOM 0 HZ2 LYS A 56 19.410 -8.441 0.456 1.00 2.42 H new ATOM 0 HZ3 LYS A 56 20.731 -8.444 1.524 1.00 2.42 H new ATOM 891 N GLY A 57 17.342 -14.533 -0.016 1.00 65.34 N ATOM 892 CA GLY A 57 16.007 -14.711 0.522 1.00 13.02 C ATOM 893 C GLY A 57 16.012 -15.414 1.865 1.00 72.51 C ATOM 894 O GLY A 57 15.428 -14.926 2.833 1.00 73.44 O ATOM 0 H GLY A 57 17.558 -15.113 -0.827 1.00 65.34 H new ATOM 0 HA2 GLY A 57 15.528 -13.737 0.627 1.00 13.02 H new ATOM 0 HA3 GLY A 57 15.408 -15.287 -0.184 1.00 13.02 H new ATOM 898 N LYS A 58 16.672 -16.566 1.925 1.00 33.11 N ATOM 899 CA LYS A 58 16.751 -17.340 3.159 1.00 53.45 C ATOM 900 C LYS A 58 17.438 -16.539 4.260 1.00 40.31 C ATOM 901 O LYS A 58 17.270 -16.826 5.445 1.00 43.24 O ATOM 902 CB LYS A 58 17.507 -18.648 2.917 1.00 42.22 C ATOM 903 CG LYS A 58 18.887 -18.450 2.314 1.00 61.03 C ATOM 904 CD LYS A 58 19.923 -18.141 3.381 1.00 23.43 C ATOM 905 CE LYS A 58 20.988 -19.225 3.454 1.00 3.11 C ATOM 906 NZ LYS A 58 22.095 -18.980 2.488 1.00 23.25 N ATOM 0 H LYS A 58 17.160 -16.984 1.133 1.00 33.11 H new ATOM 0 HA LYS A 58 15.735 -17.569 3.481 1.00 53.45 H new ATOM 0 HB2 LYS A 58 17.606 -19.181 3.863 1.00 42.22 H new ATOM 0 HB3 LYS A 58 16.917 -19.281 2.254 1.00 42.22 H new ATOM 0 HG2 LYS A 58 19.180 -19.348 1.771 1.00 61.03 H new ATOM 0 HG3 LYS A 58 18.855 -17.636 1.590 1.00 61.03 H new ATOM 0 HD2 LYS A 58 20.393 -17.181 3.166 1.00 23.43 H new ATOM 0 HD3 LYS A 58 19.432 -18.046 4.350 1.00 23.43 H new ATOM 0 HE2 LYS A 58 21.392 -19.270 4.465 1.00 3.11 H new ATOM 0 HE3 LYS A 58 20.534 -20.195 3.248 1.00 3.11 H new ATOM 0 HZ1 LYS A 58 22.999 -19.264 2.917 1.00 23.25 H new ATOM 0 HZ2 LYS A 58 21.931 -19.536 1.624 1.00 23.25 H new ATOM 0 HZ3 LYS A 58 22.129 -17.969 2.248 1.00 23.25 H new ATOM 920 N GLU A 59 18.210 -15.533 3.860 1.00 25.32 N ATOM 921 CA GLU A 59 18.922 -14.691 4.815 1.00 71.32 C ATOM 922 C GLU A 59 17.983 -13.663 5.439 1.00 73.11 C ATOM 923 O GLU A 59 17.787 -13.641 6.654 1.00 24.12 O ATOM 924 CB GLU A 59 20.091 -13.981 4.130 1.00 50.35 C ATOM 925 CG GLU A 59 21.398 -14.752 4.201 1.00 2.21 C ATOM 926 CD GLU A 59 22.301 -14.267 5.319 1.00 61.02 C ATOM 927 OE1 GLU A 59 22.606 -13.057 5.353 1.00 12.34 O ATOM 928 OE2 GLU A 59 22.703 -15.099 6.159 1.00 35.13 O ATOM 0 H GLU A 59 18.358 -15.281 2.883 1.00 25.32 H new ATOM 0 HA GLU A 59 19.310 -15.332 5.607 1.00 71.32 H new ATOM 0 HB2 GLU A 59 19.837 -13.808 3.084 1.00 50.35 H new ATOM 0 HB3 GLU A 59 20.231 -13.003 4.590 1.00 50.35 H new ATOM 0 HG2 GLU A 59 21.184 -15.811 4.346 1.00 2.21 H new ATOM 0 HG3 GLU A 59 21.922 -14.660 3.250 1.00 2.21 H new ATOM 935 N VAL A 60 17.404 -12.812 4.598 1.00 51.21 N ATOM 936 CA VAL A 60 16.485 -11.781 5.066 1.00 72.04 C ATOM 937 C VAL A 60 15.406 -12.374 5.966 1.00 44.44 C ATOM 938 O VAL A 60 14.908 -11.710 6.875 1.00 15.43 O ATOM 939 CB VAL A 60 15.811 -11.053 3.887 1.00 4.11 C ATOM 940 CG1 VAL A 60 16.832 -10.233 3.113 1.00 51.15 C ATOM 941 CG2 VAL A 60 15.113 -12.050 2.975 1.00 52.43 C ATOM 0 H VAL A 60 17.555 -12.816 3.589 1.00 51.21 H new ATOM 0 HA VAL A 60 17.077 -11.065 5.636 1.00 72.04 H new ATOM 0 HB VAL A 60 15.059 -10.371 4.284 1.00 4.11 H new ATOM 0 HG11 VAL A 60 16.338 -9.726 2.284 1.00 51.15 H new ATOM 0 HG12 VAL A 60 17.282 -9.493 3.775 1.00 51.15 H new ATOM 0 HG13 VAL A 60 17.609 -10.892 2.724 1.00 51.15 H new ATOM 0 HG21 VAL A 60 14.642 -11.519 2.148 1.00 52.43 H new ATOM 0 HG22 VAL A 60 15.843 -12.758 2.583 1.00 52.43 H new ATOM 0 HG23 VAL A 60 14.352 -12.589 3.540 1.00 52.43 H new ATOM 951 N LEU A 61 15.051 -13.627 5.707 1.00 72.02 N ATOM 952 CA LEU A 61 14.031 -14.311 6.494 1.00 32.12 C ATOM 953 C LEU A 61 14.570 -14.695 7.868 1.00 23.13 C ATOM 954 O LEU A 61 13.897 -14.515 8.882 1.00 12.31 O ATOM 955 CB LEU A 61 13.543 -15.560 5.758 1.00 14.01 C ATOM 956 CG LEU A 61 12.894 -15.324 4.394 1.00 70.33 C ATOM 957 CD1 LEU A 61 12.978 -16.579 3.539 1.00 74.41 C ATOM 958 CD2 LEU A 61 11.446 -14.886 4.560 1.00 44.40 C ATOM 0 H LEU A 61 15.454 -14.190 4.958 1.00 72.02 H new ATOM 0 HA LEU A 61 13.194 -13.627 6.631 1.00 32.12 H new ATOM 0 HB2 LEU A 61 14.390 -16.232 5.623 1.00 14.01 H new ATOM 0 HB3 LEU A 61 12.825 -16.076 6.395 1.00 14.01 H new ATOM 0 HG LEU A 61 13.438 -14.526 3.888 1.00 70.33 H new ATOM 0 HD11 LEU A 61 12.511 -16.392 2.572 1.00 74.41 H new ATOM 0 HD12 LEU A 61 14.024 -16.849 3.391 1.00 74.41 H new ATOM 0 HD13 LEU A 61 12.460 -17.396 4.040 1.00 74.41 H new ATOM 0 HD21 LEU A 61 11.000 -14.723 3.579 1.00 44.40 H new ATOM 0 HD22 LEU A 61 10.889 -15.661 5.087 1.00 44.40 H new ATOM 0 HD23 LEU A 61 11.409 -13.960 5.134 1.00 44.40 H new ATOM 970 N GLU A 62 15.790 -15.223 7.893 1.00 20.31 N ATOM 971 CA GLU A 62 16.420 -15.631 9.143 1.00 32.15 C ATOM 972 C GLU A 62 16.829 -14.414 9.969 1.00 62.44 C ATOM 973 O GLU A 62 16.903 -14.480 11.196 1.00 52.24 O ATOM 974 CB GLU A 62 17.644 -16.506 8.862 1.00 14.45 C ATOM 975 CG GLU A 62 17.301 -17.958 8.577 1.00 21.22 C ATOM 976 CD GLU A 62 17.097 -18.769 9.842 1.00 5.14 C ATOM 977 OE1 GLU A 62 16.457 -18.251 10.782 1.00 43.15 O ATOM 978 OE2 GLU A 62 17.578 -19.920 9.894 1.00 60.22 O ATOM 0 H GLU A 62 16.361 -15.378 7.062 1.00 20.31 H new ATOM 0 HA GLU A 62 15.693 -16.209 9.714 1.00 32.15 H new ATOM 0 HB2 GLU A 62 18.186 -16.095 8.010 1.00 14.45 H new ATOM 0 HB3 GLU A 62 18.316 -16.462 9.719 1.00 14.45 H new ATOM 0 HG2 GLU A 62 16.395 -18.001 7.972 1.00 21.22 H new ATOM 0 HG3 GLU A 62 18.100 -18.407 7.987 1.00 21.22 H new ATOM 985 N TRP A 63 17.095 -13.307 9.286 1.00 53.41 N ATOM 986 CA TRP A 63 17.497 -12.075 9.955 1.00 4.21 C ATOM 987 C TRP A 63 16.301 -11.398 10.615 1.00 42.42 C ATOM 988 O TRP A 63 16.365 -10.999 11.777 1.00 24.13 O ATOM 989 CB TRP A 63 18.154 -11.119 8.957 1.00 32.33 C ATOM 990 CG TRP A 63 19.122 -10.169 9.594 1.00 51.40 C ATOM 991 CD1 TRP A 63 18.860 -8.901 10.030 1.00 73.14 C ATOM 992 CD2 TRP A 63 20.507 -10.409 9.864 1.00 21.44 C ATOM 993 NE1 TRP A 63 19.999 -8.339 10.555 1.00 74.45 N ATOM 994 CE2 TRP A 63 21.023 -9.245 10.466 1.00 52.42 C ATOM 995 CE3 TRP A 63 21.361 -11.496 9.659 1.00 25.01 C ATOM 996 CZ2 TRP A 63 22.353 -9.138 10.861 1.00 25.12 C ATOM 997 CZ3 TRP A 63 22.682 -11.389 10.052 1.00 50.52 C ATOM 998 CH2 TRP A 63 23.168 -10.217 10.648 1.00 34.10 C ATOM 0 H TRP A 63 17.040 -13.237 8.270 1.00 53.41 H new ATOM 0 HA TRP A 63 18.219 -12.331 10.731 1.00 4.21 H new ATOM 0 HB2 TRP A 63 18.674 -11.701 8.196 1.00 32.33 H new ATOM 0 HB3 TRP A 63 17.378 -10.548 8.447 1.00 32.33 H new ATOM 0 HD1 TRP A 63 17.899 -8.412 9.971 1.00 73.14 H new ATOM 0 HE1 TRP A 63 20.070 -7.400 10.947 1.00 74.45 H new ATOM 0 HE3 TRP A 63 20.995 -12.404 9.202 1.00 25.01 H new ATOM 0 HZ2 TRP A 63 22.729 -8.235 11.320 1.00 25.12 H new ATOM 0 HZ3 TRP A 63 23.351 -12.223 9.897 1.00 50.52 H new ATOM 0 HH2 TRP A 63 24.205 -10.164 10.945 1.00 34.10 H new ATOM 1009 N ALA A 64 15.211 -11.271 9.866 1.00 51.24 N ATOM 1010 CA ALA A 64 14.000 -10.644 10.379 1.00 14.34 C ATOM 1011 C ALA A 64 13.529 -11.326 11.659 1.00 35.12 C ATOM 1012 O ALA A 64 12.940 -10.689 12.532 1.00 23.02 O ATOM 1013 CB ALA A 64 12.901 -10.676 9.327 1.00 44.31 C ATOM 0 H ALA A 64 15.142 -11.594 8.901 1.00 51.24 H new ATOM 0 HA ALA A 64 14.231 -9.605 10.615 1.00 14.34 H new ATOM 0 HB1 ALA A 64 12.003 -10.204 9.725 1.00 44.31 H new ATOM 0 HB2 ALA A 64 13.231 -10.137 8.439 1.00 44.31 H new ATOM 0 HB3 ALA A 64 12.681 -11.710 9.062 1.00 44.31 H new ATOM 1019 N GLU A 65 13.791 -12.625 11.763 1.00 73.34 N ATOM 1020 CA GLU A 65 13.391 -13.393 12.936 1.00 63.40 C ATOM 1021 C GLU A 65 14.319 -13.110 14.114 1.00 65.04 C ATOM 1022 O GLU A 65 13.950 -13.308 15.271 1.00 30.15 O ATOM 1023 CB GLU A 65 13.395 -14.890 12.619 1.00 74.35 C ATOM 1024 CG GLU A 65 12.395 -15.287 11.546 1.00 74.15 C ATOM 1025 CD GLU A 65 11.446 -16.377 12.006 1.00 25.12 C ATOM 1026 OE1 GLU A 65 10.613 -16.103 12.895 1.00 41.13 O ATOM 1027 OE2 GLU A 65 11.538 -17.505 11.477 1.00 2.13 O ATOM 0 H GLU A 65 14.278 -13.167 11.050 1.00 73.34 H new ATOM 0 HA GLU A 65 12.381 -13.089 13.210 1.00 63.40 H new ATOM 0 HB2 GLU A 65 14.395 -15.182 12.298 1.00 74.35 H new ATOM 0 HB3 GLU A 65 13.177 -15.447 13.531 1.00 74.35 H new ATOM 0 HG2 GLU A 65 11.819 -14.410 11.250 1.00 74.15 H new ATOM 0 HG3 GLU A 65 12.933 -15.629 10.662 1.00 74.15 H new ATOM 1034 N HIS A 66 15.527 -12.646 13.809 1.00 2.31 N ATOM 1035 CA HIS A 66 16.509 -12.335 14.842 1.00 44.33 C ATOM 1036 C HIS A 66 16.069 -11.127 15.664 1.00 22.53 C ATOM 1037 O HIS A 66 15.979 -11.198 16.891 1.00 61.23 O ATOM 1038 CB HIS A 66 17.876 -12.066 14.211 1.00 50.21 C ATOM 1039 CG HIS A 66 18.951 -12.990 14.694 1.00 31.10 C ATOM 1040 ND1 HIS A 66 19.156 -13.275 16.028 1.00 55.44 N ATOM 1041 CD2 HIS A 66 19.883 -13.697 14.013 1.00 74.23 C ATOM 1042 CE1 HIS A 66 20.168 -14.115 16.146 1.00 74.41 C ATOM 1043 NE2 HIS A 66 20.626 -14.388 14.938 1.00 43.04 N ATOM 0 H HIS A 66 15.849 -12.477 12.856 1.00 2.31 H new ATOM 0 HA HIS A 66 16.586 -13.196 15.506 1.00 44.33 H new ATOM 0 HB2 HIS A 66 17.791 -12.156 13.128 1.00 50.21 H new ATOM 0 HB3 HIS A 66 18.169 -11.038 14.424 1.00 50.21 H new ATOM 0 HD2 HIS A 66 20.017 -13.714 12.942 1.00 74.23 H new ATOM 0 HE1 HIS A 66 20.555 -14.511 17.073 1.00 74.41 H new ATOM 0 HE2 HIS A 66 21.405 -15.011 14.726 1.00 43.04 H new ATOM 1051 N LEU A 67 15.797 -10.021 14.982 1.00 11.42 N ATOM 1052 CA LEU A 67 15.367 -8.797 15.650 1.00 54.13 C ATOM 1053 C LEU A 67 13.957 -8.950 16.212 1.00 71.02 C ATOM 1054 O LEU A 67 13.631 -8.389 17.258 1.00 73.44 O ATOM 1055 CB LEU A 67 15.415 -7.618 14.677 1.00 54.35 C ATOM 1056 CG LEU A 67 14.314 -7.578 13.616 1.00 40.33 C ATOM 1057 CD1 LEU A 67 13.127 -6.765 14.109 1.00 72.14 C ATOM 1058 CD2 LEU A 67 14.850 -7.005 12.312 1.00 5.30 C ATOM 0 H LEU A 67 15.866 -9.946 13.967 1.00 11.42 H new ATOM 0 HA LEU A 67 16.050 -8.605 16.478 1.00 54.13 H new ATOM 0 HB2 LEU A 67 15.369 -6.694 15.254 1.00 54.35 H new ATOM 0 HB3 LEU A 67 16.380 -7.630 14.170 1.00 54.35 H new ATOM 0 HG LEU A 67 13.978 -8.598 13.430 1.00 40.33 H new ATOM 0 HD11 LEU A 67 12.354 -6.748 13.341 1.00 72.14 H new ATOM 0 HD12 LEU A 67 12.727 -7.218 15.016 1.00 72.14 H new ATOM 0 HD13 LEU A 67 13.448 -5.746 14.324 1.00 72.14 H new ATOM 0 HD21 LEU A 67 14.053 -6.984 11.569 1.00 5.30 H new ATOM 0 HD22 LEU A 67 15.214 -5.992 12.482 1.00 5.30 H new ATOM 0 HD23 LEU A 67 15.668 -7.628 11.950 1.00 5.30 H new ATOM 1070 N ALA A 68 13.126 -9.715 15.511 1.00 11.31 N ATOM 1071 CA ALA A 68 11.753 -9.945 15.942 1.00 33.33 C ATOM 1072 C ALA A 68 11.713 -10.674 17.281 1.00 12.12 C ATOM 1073 O ALA A 68 10.826 -10.436 18.101 1.00 62.44 O ATOM 1074 CB ALA A 68 10.994 -10.735 14.886 1.00 34.24 C ATOM 0 H ALA A 68 13.380 -10.186 14.642 1.00 11.31 H new ATOM 0 HA ALA A 68 11.271 -8.976 16.071 1.00 33.33 H new ATOM 0 HB1 ALA A 68 9.970 -10.900 15.221 1.00 34.24 H new ATOM 0 HB2 ALA A 68 10.984 -10.176 13.950 1.00 34.24 H new ATOM 0 HB3 ALA A 68 11.483 -11.696 14.729 1.00 34.24 H new ATOM 1080 N GLU A 69 12.678 -11.562 17.495 1.00 25.15 N ATOM 1081 CA GLU A 69 12.751 -12.326 18.735 1.00 23.23 C ATOM 1082 C GLU A 69 13.399 -11.503 19.845 1.00 54.52 C ATOM 1083 O GLU A 69 13.204 -11.776 21.029 1.00 13.32 O ATOM 1084 CB GLU A 69 13.541 -13.619 18.518 1.00 15.01 C ATOM 1085 CG GLU A 69 12.785 -14.666 17.717 1.00 61.00 C ATOM 1086 CD GLU A 69 12.326 -15.833 18.569 1.00 22.40 C ATOM 1087 OE1 GLU A 69 13.072 -16.225 19.491 1.00 73.11 O ATOM 1088 OE2 GLU A 69 11.221 -16.355 18.313 1.00 35.04 O ATOM 0 H GLU A 69 13.420 -11.770 16.827 1.00 25.15 H new ATOM 0 HA GLU A 69 11.734 -12.575 19.037 1.00 23.23 H new ATOM 0 HB2 GLU A 69 14.473 -13.384 18.004 1.00 15.01 H new ATOM 0 HB3 GLU A 69 13.809 -14.039 19.488 1.00 15.01 H new ATOM 0 HG2 GLU A 69 11.918 -14.202 17.246 1.00 61.00 H new ATOM 0 HG3 GLU A 69 13.424 -15.036 16.915 1.00 61.00 H new ATOM 1095 N TRP A 70 14.169 -10.495 19.452 1.00 1.32 N ATOM 1096 CA TRP A 70 14.846 -9.631 20.413 1.00 21.10 C ATOM 1097 C TRP A 70 13.902 -9.224 21.539 1.00 52.24 C ATOM 1098 O TRP A 70 14.309 -9.122 22.696 1.00 20.43 O ATOM 1099 CB TRP A 70 15.393 -8.386 19.714 1.00 51.45 C ATOM 1100 CG TRP A 70 16.165 -7.482 20.627 1.00 65.53 C ATOM 1101 CD1 TRP A 70 17.499 -7.552 20.912 1.00 43.31 C ATOM 1102 CD2 TRP A 70 15.650 -6.376 21.375 1.00 20.12 C ATOM 1103 NE1 TRP A 70 17.844 -6.555 21.793 1.00 40.13 N ATOM 1104 CE2 TRP A 70 16.728 -5.820 22.092 1.00 53.44 C ATOM 1105 CE3 TRP A 70 14.384 -5.800 21.508 1.00 32.23 C ATOM 1106 CZ2 TRP A 70 16.575 -4.717 22.928 1.00 32.22 C ATOM 1107 CZ3 TRP A 70 14.234 -4.706 22.339 1.00 33.33 C ATOM 1108 CH2 TRP A 70 15.324 -4.174 23.040 1.00 50.51 C ATOM 0 H TRP A 70 14.340 -10.256 18.475 1.00 1.32 H new ATOM 0 HA TRP A 70 15.676 -10.190 20.845 1.00 21.10 H new ATOM 0 HB2 TRP A 70 16.037 -8.694 18.890 1.00 51.45 H new ATOM 0 HB3 TRP A 70 14.563 -7.829 19.279 1.00 51.45 H new ATOM 0 HD1 TRP A 70 18.182 -8.283 20.505 1.00 43.31 H new ATOM 0 HE1 TRP A 70 18.780 -6.389 22.164 1.00 40.13 H new ATOM 0 HE3 TRP A 70 13.538 -6.203 20.971 1.00 32.23 H new ATOM 0 HZ2 TRP A 70 17.414 -4.305 23.469 1.00 32.22 H new ATOM 0 HZ3 TRP A 70 13.260 -4.253 22.450 1.00 33.33 H new ATOM 0 HH2 TRP A 70 15.174 -3.318 23.682 1.00 50.51 H new ATOM 1119 N ILE A 71 12.640 -8.992 21.192 1.00 43.20 N ATOM 1120 CA ILE A 71 11.639 -8.597 22.175 1.00 52.13 C ATOM 1121 C ILE A 71 11.644 -9.539 23.374 1.00 74.24 C ATOM 1122 O ILE A 71 11.585 -9.100 24.523 1.00 43.21 O ATOM 1123 CB ILE A 71 10.227 -8.573 21.561 1.00 55.43 C ATOM 1124 CG1 ILE A 71 9.902 -9.924 20.920 1.00 41.43 C ATOM 1125 CG2 ILE A 71 10.113 -7.453 20.536 1.00 25.44 C ATOM 1126 CD1 ILE A 71 8.660 -9.900 20.057 1.00 71.22 C ATOM 0 H ILE A 71 12.287 -9.071 20.238 1.00 43.20 H new ATOM 0 HA ILE A 71 11.900 -7.592 22.505 1.00 52.13 H new ATOM 0 HB ILE A 71 9.505 -8.386 22.356 1.00 55.43 H new ATOM 0 HG12 ILE A 71 10.750 -10.243 20.314 1.00 41.43 H new ATOM 0 HG13 ILE A 71 9.774 -10.669 21.706 1.00 41.43 H new ATOM 0 HG21 ILE A 71 9.109 -7.449 20.111 1.00 25.44 H new ATOM 0 HG22 ILE A 71 10.306 -6.496 21.020 1.00 25.44 H new ATOM 0 HG23 ILE A 71 10.843 -7.611 19.742 1.00 25.44 H new ATOM 0 HD11 ILE A 71 8.491 -10.891 19.635 1.00 71.22 H new ATOM 0 HD12 ILE A 71 7.801 -9.612 20.663 1.00 71.22 H new ATOM 0 HD13 ILE A 71 8.792 -9.180 19.250 1.00 71.22 H new ATOM 1138 N LEU A 72 11.715 -10.837 23.099 1.00 41.13 N ATOM 1139 CA LEU A 72 11.730 -11.843 24.155 1.00 72.00 C ATOM 1140 C LEU A 72 13.072 -11.851 24.880 1.00 34.44 C ATOM 1141 O LEU A 72 13.127 -11.998 26.101 1.00 74.42 O ATOM 1142 CB LEU A 72 11.444 -13.228 23.571 1.00 10.23 C ATOM 1143 CG LEU A 72 10.195 -13.343 22.697 1.00 12.10 C ATOM 1144 CD1 LEU A 72 10.567 -13.787 21.291 1.00 75.01 C ATOM 1145 CD2 LEU A 72 9.197 -14.310 23.317 1.00 11.24 C ATOM 0 H LEU A 72 11.763 -11.217 22.154 1.00 41.13 H new ATOM 0 HA LEU A 72 10.951 -11.591 24.874 1.00 72.00 H new ATOM 0 HB2 LEU A 72 12.306 -13.536 22.980 1.00 10.23 H new ATOM 0 HB3 LEU A 72 11.353 -13.936 24.395 1.00 10.23 H new ATOM 0 HG LEU A 72 9.727 -12.360 22.634 1.00 12.10 H new ATOM 0 HD11 LEU A 72 9.665 -13.863 20.683 1.00 75.01 H new ATOM 0 HD12 LEU A 72 11.244 -13.058 20.846 1.00 75.01 H new ATOM 0 HD13 LEU A 72 11.059 -14.759 21.334 1.00 75.01 H new ATOM 0 HD21 LEU A 72 8.314 -14.379 22.681 1.00 11.24 H new ATOM 0 HD22 LEU A 72 9.655 -15.295 23.411 1.00 11.24 H new ATOM 0 HD23 LEU A 72 8.906 -13.950 24.304 1.00 11.24 H new ATOM 1157 N GLU A 73 14.150 -11.691 24.120 1.00 4.34 N ATOM 1158 CA GLU A 73 15.492 -11.679 24.692 1.00 12.52 C ATOM 1159 C GLU A 73 15.606 -10.623 25.789 1.00 63.52 C ATOM 1160 O GLU A 73 16.392 -10.768 26.725 1.00 25.25 O ATOM 1161 CB GLU A 73 16.532 -11.412 23.602 1.00 24.35 C ATOM 1162 CG GLU A 73 17.898 -12.006 23.906 1.00 34.14 C ATOM 1163 CD GLU A 73 18.624 -12.467 22.658 1.00 63.11 C ATOM 1164 OE1 GLU A 73 18.758 -11.659 21.716 1.00 52.32 O ATOM 1165 OE2 GLU A 73 19.060 -13.637 22.624 1.00 71.22 O ATOM 0 H GLU A 73 14.121 -11.568 23.108 1.00 4.34 H new ATOM 0 HA GLU A 73 15.681 -12.658 25.133 1.00 12.52 H new ATOM 0 HB2 GLU A 73 16.170 -11.819 22.658 1.00 24.35 H new ATOM 0 HB3 GLU A 73 16.635 -10.335 23.466 1.00 24.35 H new ATOM 0 HG2 GLU A 73 18.506 -11.263 24.422 1.00 34.14 H new ATOM 0 HG3 GLU A 73 17.780 -12.850 24.586 1.00 34.14 H new ATOM 1172 N HIS A 74 14.817 -9.561 25.665 1.00 74.43 N ATOM 1173 CA HIS A 74 14.829 -8.481 26.645 1.00 73.13 C ATOM 1174 C HIS A 74 16.216 -7.855 26.746 1.00 42.32 C ATOM 1175 O HIS A 74 16.675 -7.187 25.818 1.00 21.14 O ATOM 1176 CB HIS A 74 14.390 -9.001 28.014 1.00 62.40 C ATOM 1177 CG HIS A 74 13.848 -7.935 28.915 1.00 41.44 C ATOM 1178 ND1 HIS A 74 13.389 -8.188 30.190 1.00 54.03 N ATOM 1179 CD2 HIS A 74 13.695 -6.604 28.719 1.00 70.04 C ATOM 1180 CE1 HIS A 74 12.975 -7.060 30.739 1.00 53.25 C ATOM 1181 NE2 HIS A 74 13.150 -6.083 29.867 1.00 63.44 N ATOM 0 H HIS A 74 14.161 -9.425 24.896 1.00 74.43 H new ATOM 0 HA HIS A 74 14.127 -7.715 26.314 1.00 73.13 H new ATOM 0 HB2 HIS A 74 13.629 -9.769 27.875 1.00 62.40 H new ATOM 0 HB3 HIS A 74 15.240 -9.479 28.501 1.00 62.40 H new ATOM 0 HD2 HIS A 74 13.953 -6.054 27.826 1.00 70.04 H new ATOM 0 HE1 HIS A 74 12.563 -6.954 31.732 1.00 53.25 H new ATOM 0 HE2 HIS A 74 12.918 -5.102 30.021 1.00 63.44 H new