USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 662 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 14 LYS NZ :NH3+ -167:sc= 1.46 (180deg=1.12) USER MOD Set 1.2: A 82 THR OG1 : rot -93:sc= 0.948 USER MOD Single : A 15 ASN : amide:sc= -0.0539 K(o=-0.054,f=-0.67) USER MOD Single : A 17 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.31) USER MOD Single : A 18 SER OG : rot 180:sc= 0.72 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.943 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.219 K(o=-0.22,f=-0.86) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : +bothHN:sc= -2.71! C(o=-2.7!,f=-11!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0873 USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.11) USER MOD Single : A 44 GLN : amide:sc= -0.0521 X(o=-0.052,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS :FLIP no HE2:sc= 0.38 F(o=-1.7,f=0.38) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 1.2 (180deg=1.04) USER MOD Single : A 63 ASN : amide:sc= -0.346 K(o=-0.35,f=-1.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0956 USER MOD Single : A 72 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=-0.32) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0646) USER MOD Single : A 74 GLN : amide:sc= -0.0567 K(o=-0.057,f=-2.1!) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 81 ASN :FLIP amide:sc= 0.501 F(o=-0.22,f=0.5) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 92 LYS NZ :NH3+ -156:sc= 1.23 (180deg=0.667) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.469 -9.146 -8.404 1.00 1.22 N ATOM 61 CA GLY A 5 -5.182 -9.573 -8.868 1.00 51.44 C ATOM 62 C GLY A 5 -4.711 -8.629 -9.929 1.00 11.04 C ATOM 63 O GLY A 5 -3.572 -8.714 -10.363 1.00 10.42 O ATOM 0 HA2 GLY A 5 -4.472 -9.596 -8.041 1.00 51.44 H new ATOM 0 HA3 GLY A 5 -5.242 -10.586 -9.265 1.00 51.44 H new ATOM 67 N ASP A 6 -5.584 -7.701 -10.395 1.00 34.42 N ATOM 68 CA ASP A 6 -5.179 -6.792 -11.461 1.00 53.34 C ATOM 69 C ASP A 6 -4.278 -5.763 -10.854 1.00 42.43 C ATOM 70 O ASP A 6 -4.490 -5.341 -9.709 1.00 15.01 O ATOM 71 CB ASP A 6 -6.362 -6.083 -12.175 1.00 45.11 C ATOM 72 CG ASP A 6 -5.869 -5.383 -13.432 1.00 53.33 C ATOM 73 OD1 ASP A 6 -4.955 -5.915 -14.102 1.00 64.21 O ATOM 74 OD2 ASP A 6 -6.440 -4.336 -13.789 1.00 15.22 O ATOM 0 H ASP A 6 -6.537 -7.575 -10.055 1.00 34.42 H new ATOM 0 HA ASP A 6 -4.682 -7.384 -12.230 1.00 53.34 H new ATOM 0 HB2 ASP A 6 -7.131 -6.811 -12.433 1.00 45.11 H new ATOM 0 HB3 ASP A 6 -6.822 -5.359 -11.502 1.00 45.11 H new ATOM 79 N ILE A 7 -3.211 -5.402 -11.583 1.00 3.25 N ATOM 80 CA ILE A 7 -2.185 -4.564 -11.062 1.00 60.53 C ATOM 81 C ILE A 7 -2.435 -3.175 -11.591 1.00 45.42 C ATOM 82 O ILE A 7 -2.669 -2.989 -12.794 1.00 74.44 O ATOM 83 CB ILE A 7 -0.803 -5.009 -11.531 1.00 70.34 C ATOM 84 CG1 ILE A 7 -0.660 -6.552 -11.504 1.00 33.34 C ATOM 85 CG2 ILE A 7 0.268 -4.226 -10.759 1.00 24.12 C ATOM 86 CD1 ILE A 7 -0.720 -7.121 -10.137 1.00 61.40 C ATOM 0 H ILE A 7 -3.059 -5.697 -12.548 1.00 3.25 H new ATOM 0 HA ILE A 7 -2.205 -4.608 -9.973 1.00 60.53 H new ATOM 0 HB ILE A 7 -0.656 -4.763 -12.583 1.00 70.34 H new ATOM 0 HG12 ILE A 7 -1.451 -6.994 -12.109 1.00 33.34 H new ATOM 0 HG13 ILE A 7 0.288 -6.831 -11.965 1.00 33.34 H new ATOM 0 HG21 ILE A 7 1.258 -4.540 -11.090 1.00 24.12 H new ATOM 0 HG22 ILE A 7 0.144 -3.159 -10.946 1.00 24.12 H new ATOM 0 HG23 ILE A 7 0.163 -4.422 -9.692 1.00 24.12 H new ATOM 0 HD11 ILE A 7 -0.614 -8.205 -10.189 1.00 61.40 H new ATOM 0 HD12 ILE A 7 0.088 -6.706 -9.534 1.00 61.40 H new ATOM 0 HD13 ILE A 7 -1.678 -6.872 -9.681 1.00 61.40 H new ATOM 98 N PHE A 8 -2.406 -2.174 -10.712 1.00 44.03 N ATOM 99 CA PHE A 8 -2.538 -0.809 -11.160 1.00 10.43 C ATOM 100 C PHE A 8 -1.645 0.025 -10.306 1.00 52.22 C ATOM 101 O PHE A 8 -1.269 -0.374 -9.203 1.00 30.35 O ATOM 102 CB PHE A 8 -4.005 -0.215 -11.170 1.00 33.13 C ATOM 103 CG PHE A 8 -4.674 -0.349 -9.812 1.00 23.35 C ATOM 104 CD1 PHE A 8 -4.966 -1.622 -9.255 1.00 43.24 C ATOM 105 CD2 PHE A 8 -5.058 0.808 -9.089 1.00 74.22 C ATOM 106 CE1 PHE A 8 -5.578 -1.729 -8.003 1.00 72.12 C ATOM 107 CE2 PHE A 8 -5.693 0.688 -7.833 1.00 54.11 C ATOM 108 CZ PHE A 8 -5.944 -0.580 -7.294 1.00 14.35 C ATOM 0 H PHE A 8 -2.294 -2.289 -9.705 1.00 44.03 H new ATOM 0 HA PHE A 8 -2.254 -0.795 -12.212 1.00 10.43 H new ATOM 0 HB2 PHE A 8 -3.970 0.836 -11.457 1.00 33.13 H new ATOM 0 HB3 PHE A 8 -4.602 -0.731 -11.922 1.00 33.13 H new ATOM 0 HD1 PHE A 8 -4.713 -2.517 -9.804 1.00 43.24 H new ATOM 0 HD2 PHE A 8 -4.864 1.787 -9.501 1.00 74.22 H new ATOM 0 HE1 PHE A 8 -5.769 -2.704 -7.581 1.00 72.12 H new ATOM 0 HE2 PHE A 8 -5.985 1.574 -7.288 1.00 54.11 H new ATOM 0 HZ PHE A 8 -6.421 -0.671 -6.329 1.00 14.35 H new ATOM 118 N GLU A 9 -1.237 1.179 -10.847 1.00 62.10 N ATOM 119 CA GLU A 9 -0.371 2.083 -10.152 1.00 43.51 C ATOM 120 C GLU A 9 -1.211 3.246 -9.792 1.00 33.35 C ATOM 121 O GLU A 9 -2.129 3.598 -10.537 1.00 45.14 O ATOM 122 CB GLU A 9 0.775 2.603 -11.053 1.00 72.51 C ATOM 123 CG GLU A 9 1.547 1.465 -11.743 1.00 54.54 C ATOM 124 CD GLU A 9 2.707 2.042 -12.511 1.00 74.23 C ATOM 125 OE1 GLU A 9 2.808 3.286 -12.617 1.00 63.35 O ATOM 126 OE2 GLU A 9 3.533 1.260 -13.009 1.00 42.23 O ATOM 0 H GLU A 9 -1.508 1.494 -11.778 1.00 62.10 H new ATOM 0 HA GLU A 9 0.077 1.574 -9.298 1.00 43.51 H new ATOM 0 HB2 GLU A 9 0.363 3.269 -11.811 1.00 72.51 H new ATOM 0 HB3 GLU A 9 1.466 3.193 -10.451 1.00 72.51 H new ATOM 0 HG2 GLU A 9 1.906 0.752 -11.001 1.00 54.54 H new ATOM 0 HG3 GLU A 9 0.887 0.918 -12.416 1.00 54.54 H new ATOM 133 N VAL A 10 -0.937 3.886 -8.652 1.00 2.45 N ATOM 134 CA VAL A 10 -1.682 5.053 -8.296 1.00 31.11 C ATOM 135 C VAL A 10 -0.729 6.015 -7.683 1.00 74.41 C ATOM 136 O VAL A 10 0.296 5.624 -7.107 1.00 41.22 O ATOM 137 CB VAL A 10 -2.806 4.805 -7.303 1.00 54.21 C ATOM 138 CG1 VAL A 10 -3.887 3.962 -7.995 1.00 50.33 C ATOM 139 CG2 VAL A 10 -2.223 4.139 -6.027 1.00 32.51 C ATOM 0 H VAL A 10 -0.217 3.608 -7.985 1.00 2.45 H new ATOM 0 HA VAL A 10 -2.153 5.423 -9.206 1.00 31.11 H new ATOM 0 HB VAL A 10 -3.275 5.735 -6.981 1.00 54.21 H new ATOM 0 HG11 VAL A 10 -4.703 3.773 -7.298 1.00 50.33 H new ATOM 0 HG12 VAL A 10 -4.268 4.500 -8.863 1.00 50.33 H new ATOM 0 HG13 VAL A 10 -3.458 3.013 -8.317 1.00 50.33 H new ATOM 0 HG21 VAL A 10 -3.025 3.959 -5.312 1.00 32.51 H new ATOM 0 HG22 VAL A 10 -1.755 3.191 -6.293 1.00 32.51 H new ATOM 0 HG23 VAL A 10 -1.479 4.799 -5.580 1.00 32.51 H new ATOM 149 N GLU A 11 -1.063 7.294 -7.811 1.00 62.23 N ATOM 150 CA GLU A 11 -0.386 8.338 -7.112 1.00 45.30 C ATOM 151 C GLU A 11 -1.344 8.777 -6.039 1.00 13.33 C ATOM 152 O GLU A 11 -2.496 9.065 -6.324 1.00 20.12 O ATOM 153 CB GLU A 11 -0.079 9.556 -8.022 1.00 61.21 C ATOM 154 CG GLU A 11 -1.258 9.961 -8.930 1.00 52.43 C ATOM 155 CD GLU A 11 -0.897 11.188 -9.715 1.00 72.13 C ATOM 156 OE1 GLU A 11 0.189 11.742 -9.504 1.00 24.31 O ATOM 157 OE2 GLU A 11 -1.728 11.616 -10.547 1.00 51.53 O ATOM 0 H GLU A 11 -1.820 7.620 -8.412 1.00 62.23 H new ATOM 0 HA GLU A 11 0.570 7.976 -6.732 1.00 45.30 H new ATOM 0 HB2 GLU A 11 0.196 10.406 -7.397 1.00 61.21 H new ATOM 0 HB3 GLU A 11 0.785 9.325 -8.644 1.00 61.21 H new ATOM 0 HG2 GLU A 11 -1.504 9.144 -9.608 1.00 52.43 H new ATOM 0 HG3 GLU A 11 -2.145 10.152 -8.326 1.00 52.43 H new ATOM 164 N LEU A 12 -0.908 8.810 -4.781 1.00 63.41 N ATOM 165 CA LEU A 12 -1.775 9.311 -3.740 1.00 51.41 C ATOM 166 C LEU A 12 -0.986 10.205 -2.895 1.00 62.31 C ATOM 167 O LEU A 12 0.183 9.958 -2.622 1.00 42.41 O ATOM 168 CB LEU A 12 -2.431 8.255 -2.833 1.00 34.53 C ATOM 169 CG LEU A 12 -3.733 7.715 -3.404 1.00 63.34 C ATOM 170 CD1 LEU A 12 -3.543 6.483 -4.274 1.00 63.22 C ATOM 171 CD2 LEU A 12 -4.762 7.533 -2.316 1.00 21.23 C ATOM 0 H LEU A 12 0.015 8.503 -4.473 1.00 63.41 H new ATOM 0 HA LEU A 12 -2.601 9.799 -4.257 1.00 51.41 H new ATOM 0 HB2 LEU A 12 -1.735 7.429 -2.682 1.00 34.53 H new ATOM 0 HB3 LEU A 12 -2.623 8.693 -1.853 1.00 34.53 H new ATOM 0 HG LEU A 12 -4.124 8.468 -4.089 1.00 63.34 H new ATOM 0 HD11 LEU A 12 -4.511 6.150 -4.649 1.00 63.22 H new ATOM 0 HD12 LEU A 12 -2.893 6.728 -5.114 1.00 63.22 H new ATOM 0 HD13 LEU A 12 -3.089 5.687 -3.684 1.00 63.22 H new ATOM 0 HD21 LEU A 12 -5.685 7.146 -2.749 1.00 21.23 H new ATOM 0 HD22 LEU A 12 -4.386 6.829 -1.574 1.00 21.23 H new ATOM 0 HD23 LEU A 12 -4.960 8.493 -1.838 1.00 21.23 H new ATOM 183 N ALA A 13 -1.624 11.292 -2.476 1.00 64.41 N ATOM 184 CA ALA A 13 -0.983 12.259 -1.635 1.00 54.05 C ATOM 185 C ALA A 13 -1.069 11.741 -0.243 1.00 41.31 C ATOM 186 O ALA A 13 -2.065 11.163 0.149 1.00 50.33 O ATOM 187 CB ALA A 13 -1.652 13.652 -1.661 1.00 12.24 C ATOM 0 H ALA A 13 -2.591 11.514 -2.714 1.00 64.41 H new ATOM 0 HA ALA A 13 0.037 12.391 -1.996 1.00 54.05 H new ATOM 0 HB1 ALA A 13 -1.110 14.328 -1.000 1.00 12.24 H new ATOM 0 HB2 ALA A 13 -1.633 14.046 -2.677 1.00 12.24 H new ATOM 0 HB3 ALA A 13 -2.685 13.566 -1.324 1.00 12.24 H new ATOM 193 N LYS A 14 0.003 11.932 0.540 1.00 64.33 N ATOM 194 CA LYS A 14 -0.014 11.585 1.953 1.00 52.40 C ATOM 195 C LYS A 14 -0.887 12.574 2.672 1.00 40.45 C ATOM 196 O LYS A 14 -1.458 12.246 3.700 1.00 44.13 O ATOM 197 CB LYS A 14 1.408 11.620 2.582 1.00 62.23 C ATOM 198 CG LYS A 14 2.154 10.296 2.375 1.00 2.52 C ATOM 199 CD LYS A 14 3.640 10.409 1.961 1.00 40.52 C ATOM 200 CE LYS A 14 4.592 11.031 2.988 1.00 72.33 C ATOM 201 NZ LYS A 14 5.988 10.950 2.488 1.00 2.44 N ATOM 0 H LYS A 14 0.886 12.324 0.212 1.00 64.33 H new ATOM 0 HA LYS A 14 -0.395 10.569 2.050 1.00 52.40 H new ATOM 0 HB2 LYS A 14 1.982 12.434 2.139 1.00 62.23 H new ATOM 0 HB3 LYS A 14 1.329 11.830 3.649 1.00 62.23 H new ATOM 0 HG2 LYS A 14 2.098 9.723 3.300 1.00 2.52 H new ATOM 0 HG3 LYS A 14 1.628 9.722 1.612 1.00 2.52 H new ATOM 0 HD2 LYS A 14 4.004 9.410 1.720 1.00 40.52 H new ATOM 0 HD3 LYS A 14 3.695 10.997 1.045 1.00 40.52 H new ATOM 0 HE2 LYS A 14 4.320 12.071 3.168 1.00 72.33 H new ATOM 0 HE3 LYS A 14 4.506 10.509 3.941 1.00 72.33 H new ATOM 0 HZ1 LYS A 14 6.647 11.165 3.263 1.00 2.44 H new ATOM 0 HZ2 LYS A 14 6.174 9.991 2.131 1.00 2.44 H new ATOM 0 HZ3 LYS A 14 6.122 11.637 1.719 1.00 2.44 H new ATOM 215 N ASN A 15 -1.013 13.792 2.099 1.00 24.04 N ATOM 216 CA ASN A 15 -1.811 14.873 2.662 1.00 1.51 C ATOM 217 C ASN A 15 -1.089 15.413 3.870 1.00 14.12 C ATOM 218 O ASN A 15 -1.008 14.758 4.907 1.00 52.02 O ATOM 219 CB ASN A 15 -3.283 14.494 3.024 1.00 73.51 C ATOM 220 CG ASN A 15 -4.043 15.738 3.466 1.00 14.12 C ATOM 221 OD1 ASN A 15 -3.864 16.233 4.587 1.00 40.41 O ATOM 222 ND2 ASN A 15 -4.908 16.258 2.589 1.00 25.44 N ATOM 0 H ASN A 15 -0.553 14.042 1.223 1.00 24.04 H new ATOM 0 HA ASN A 15 -1.913 15.628 1.883 1.00 1.51 H new ATOM 0 HB2 ASN A 15 -3.775 14.044 2.162 1.00 73.51 H new ATOM 0 HB3 ASN A 15 -3.291 13.750 3.820 1.00 73.51 H new ATOM 0 HD21 ASN A 15 -5.446 17.089 2.835 1.00 25.44 H new ATOM 0 HD22 ASN A 15 -5.030 15.824 1.674 1.00 25.44 H new ATOM 229 N ASP A 16 -0.518 16.644 3.738 1.00 12.14 N ATOM 230 CA ASP A 16 0.256 17.290 4.821 1.00 61.42 C ATOM 231 C ASP A 16 1.301 16.353 5.313 1.00 42.50 C ATOM 232 O ASP A 16 1.430 16.115 6.512 1.00 2.34 O ATOM 233 CB ASP A 16 -0.579 17.832 6.015 1.00 54.54 C ATOM 234 CG ASP A 16 -1.280 19.100 5.584 1.00 63.22 C ATOM 235 OD1 ASP A 16 -0.948 19.650 4.497 1.00 21.24 O ATOM 236 OD2 ASP A 16 -2.154 19.583 6.331 1.00 71.41 O ATOM 0 H ASP A 16 -0.584 17.204 2.888 1.00 12.14 H new ATOM 0 HA ASP A 16 0.698 18.177 4.368 1.00 61.42 H new ATOM 0 HB2 ASP A 16 -1.308 17.087 6.334 1.00 54.54 H new ATOM 0 HB3 ASP A 16 0.069 18.030 6.869 1.00 54.54 H new ATOM 241 N ASN A 17 2.097 15.853 4.341 1.00 14.21 N ATOM 242 CA ASN A 17 3.266 14.976 4.542 1.00 75.55 C ATOM 243 C ASN A 17 2.987 13.690 5.359 1.00 22.22 C ATOM 244 O ASN A 17 3.852 12.837 5.430 1.00 64.50 O ATOM 245 CB ASN A 17 4.471 15.737 5.173 1.00 62.42 C ATOM 246 CG ASN A 17 5.753 14.916 4.985 1.00 33.32 C ATOM 247 OD1 ASN A 17 6.170 14.650 3.855 1.00 53.12 O ATOM 248 ND2 ASN A 17 6.389 14.509 6.093 1.00 62.51 N ATOM 0 H ASN A 17 1.933 16.060 3.356 1.00 14.21 H new ATOM 0 HA ASN A 17 3.519 14.655 3.531 1.00 75.55 H new ATOM 0 HB2 ASN A 17 4.582 16.715 4.705 1.00 62.42 H new ATOM 0 HB3 ASN A 17 4.290 15.910 6.234 1.00 62.42 H new ATOM 0 HD21 ASN A 17 7.246 13.961 6.017 1.00 62.51 H new ATOM 0 HD22 ASN A 17 6.016 14.747 7.012 1.00 62.51 H new ATOM 255 N SER A 18 1.814 13.519 5.981 1.00 51.40 N ATOM 256 CA SER A 18 1.637 12.403 6.891 1.00 42.21 C ATOM 257 C SER A 18 0.431 11.638 6.465 1.00 72.12 C ATOM 258 O SER A 18 -0.670 12.168 6.449 1.00 21.42 O ATOM 259 CB SER A 18 1.454 12.840 8.375 1.00 50.25 C ATOM 260 OG SER A 18 1.548 11.711 9.263 1.00 51.04 O ATOM 0 H SER A 18 1.001 14.124 5.870 1.00 51.40 H new ATOM 0 HA SER A 18 2.543 11.799 6.846 1.00 42.21 H new ATOM 0 HB2 SER A 18 2.214 13.577 8.637 1.00 50.25 H new ATOM 0 HB3 SER A 18 0.485 13.324 8.498 1.00 50.25 H new ATOM 0 HG SER A 18 1.431 12.012 10.188 1.00 51.04 H new ATOM 266 N LEU A 19 0.621 10.340 6.147 1.00 52.32 N ATOM 267 CA LEU A 19 -0.495 9.464 5.890 1.00 73.40 C ATOM 268 C LEU A 19 -0.684 8.698 7.149 1.00 43.32 C ATOM 269 O LEU A 19 0.178 8.720 8.023 1.00 4.43 O ATOM 270 CB LEU A 19 -0.280 8.442 4.718 1.00 20.44 C ATOM 271 CG LEU A 19 0.740 7.263 4.973 1.00 22.52 C ATOM 272 CD1 LEU A 19 0.775 6.277 3.792 1.00 72.43 C ATOM 273 CD2 LEU A 19 2.164 7.704 5.397 1.00 22.12 C ATOM 0 H LEU A 19 1.536 9.897 6.067 1.00 52.32 H new ATOM 0 HA LEU A 19 -1.347 10.072 5.587 1.00 73.40 H new ATOM 0 HB2 LEU A 19 -1.247 8.005 4.468 1.00 20.44 H new ATOM 0 HB3 LEU A 19 0.056 8.997 3.842 1.00 20.44 H new ATOM 0 HG LEU A 19 0.346 6.743 5.846 1.00 22.52 H new ATOM 0 HD11 LEU A 19 1.488 5.480 4.004 1.00 72.43 H new ATOM 0 HD12 LEU A 19 -0.216 5.848 3.647 1.00 72.43 H new ATOM 0 HD13 LEU A 19 1.078 6.804 2.887 1.00 72.43 H new ATOM 0 HD21 LEU A 19 2.788 6.823 5.548 1.00 22.12 H new ATOM 0 HD22 LEU A 19 2.599 8.328 4.616 1.00 22.12 H new ATOM 0 HD23 LEU A 19 2.108 8.272 6.326 1.00 22.12 H new ATOM 285 N GLY A 20 -1.792 8.002 7.286 1.00 32.11 N ATOM 286 CA GLY A 20 -1.996 7.182 8.448 1.00 11.30 C ATOM 287 C GLY A 20 -3.004 6.181 8.039 1.00 52.53 C ATOM 288 O GLY A 20 -4.190 6.457 8.040 1.00 15.13 O ATOM 0 H GLY A 20 -2.556 7.991 6.610 1.00 32.11 H new ATOM 0 HA2 GLY A 20 -1.068 6.703 8.760 1.00 11.30 H new ATOM 0 HA3 GLY A 20 -2.349 7.775 9.292 1.00 11.30 H new ATOM 292 N ILE A 21 -2.535 5.002 7.620 1.00 14.25 N ATOM 293 CA ILE A 21 -3.400 3.944 7.142 1.00 10.54 C ATOM 294 C ILE A 21 -3.132 2.807 8.116 1.00 63.50 C ATOM 295 O ILE A 21 -2.300 2.969 9.016 1.00 52.43 O ATOM 296 CB ILE A 21 -3.075 3.499 5.689 1.00 14.43 C ATOM 297 CG1 ILE A 21 -2.628 4.711 4.811 1.00 11.24 C ATOM 298 CG2 ILE A 21 -4.308 2.774 5.077 1.00 41.43 C ATOM 299 CD1 ILE A 21 -3.736 5.748 4.552 1.00 73.15 C ATOM 0 H ILE A 21 -1.543 4.764 7.607 1.00 14.25 H new ATOM 0 HA ILE A 21 -4.441 4.265 7.104 1.00 10.54 H new ATOM 0 HB ILE A 21 -2.238 2.801 5.713 1.00 14.43 H new ATOM 0 HG12 ILE A 21 -1.789 5.207 5.298 1.00 11.24 H new ATOM 0 HG13 ILE A 21 -2.265 4.337 3.854 1.00 11.24 H new ATOM 0 HG21 ILE A 21 -4.078 2.463 4.058 1.00 41.43 H new ATOM 0 HG22 ILE A 21 -4.550 1.898 5.678 1.00 41.43 H new ATOM 0 HG23 ILE A 21 -5.161 3.453 5.065 1.00 41.43 H new ATOM 0 HD11 ILE A 21 -3.342 6.556 3.935 1.00 73.15 H new ATOM 0 HD12 ILE A 21 -4.568 5.270 4.035 1.00 73.15 H new ATOM 0 HD13 ILE A 21 -4.084 6.154 5.502 1.00 73.15 H new ATOM 311 N CYS A 22 -3.824 1.658 7.980 1.00 62.31 N ATOM 312 CA CYS A 22 -3.501 0.511 8.847 1.00 52.23 C ATOM 313 C CYS A 22 -3.297 -0.604 7.868 1.00 72.52 C ATOM 314 O CYS A 22 -3.668 -0.495 6.700 1.00 14.22 O ATOM 315 CB CYS A 22 -4.719 0.135 9.799 1.00 21.13 C ATOM 316 SG CYS A 22 -4.641 -1.540 10.589 1.00 52.21 S ATOM 0 H CYS A 22 -4.577 1.503 7.310 1.00 62.31 H new ATOM 0 HA CYS A 22 -2.648 0.715 9.494 1.00 52.23 H new ATOM 0 HB2 CYS A 22 -4.784 0.885 10.588 1.00 21.13 H new ATOM 0 HB3 CYS A 22 -5.641 0.200 9.221 1.00 21.13 H new ATOM 0 HG CYS A 22 -5.689 -1.716 11.337 1.00 52.21 H new ATOM 321 N VAL A 23 -2.502 -1.612 8.279 1.00 51.13 N ATOM 322 CA VAL A 23 -1.988 -2.566 7.356 1.00 51.50 C ATOM 323 C VAL A 23 -1.836 -3.858 8.106 1.00 45.03 C ATOM 324 O VAL A 23 -1.976 -3.903 9.337 1.00 54.34 O ATOM 325 CB VAL A 23 -0.624 -2.175 6.759 1.00 3.40 C ATOM 326 CG1 VAL A 23 -0.845 -1.077 5.688 1.00 14.21 C ATOM 327 CG2 VAL A 23 0.342 -1.729 7.894 1.00 42.35 C ATOM 0 H VAL A 23 -2.219 -1.761 9.248 1.00 51.13 H new ATOM 0 HA VAL A 23 -2.680 -2.636 6.516 1.00 51.50 H new ATOM 0 HB VAL A 23 -0.155 -3.028 6.269 1.00 3.40 H new ATOM 0 HG11 VAL A 23 0.114 -0.791 5.257 1.00 14.21 H new ATOM 0 HG12 VAL A 23 -1.496 -1.461 4.902 1.00 14.21 H new ATOM 0 HG13 VAL A 23 -1.309 -0.206 6.150 1.00 14.21 H new ATOM 0 HG21 VAL A 23 1.305 -1.454 7.465 1.00 42.35 H new ATOM 0 HG22 VAL A 23 -0.081 -0.871 8.416 1.00 42.35 H new ATOM 0 HG23 VAL A 23 0.480 -2.550 8.598 1.00 42.35 H new ATOM 337 N THR A 24 -1.571 -4.930 7.356 1.00 14.55 N ATOM 338 CA THR A 24 -1.415 -6.234 7.919 1.00 22.23 C ATOM 339 C THR A 24 -0.765 -7.058 6.805 1.00 1.44 C ATOM 340 O THR A 24 -0.678 -6.584 5.672 1.00 72.10 O ATOM 341 CB THR A 24 -2.771 -6.837 8.356 1.00 13.33 C ATOM 342 OG1 THR A 24 -2.636 -8.160 8.885 1.00 12.31 O ATOM 343 CG2 THR A 24 -3.729 -6.827 7.153 1.00 25.35 C ATOM 0 H THR A 24 -1.462 -4.898 6.342 1.00 14.55 H new ATOM 0 HA THR A 24 -0.809 -6.217 8.825 1.00 22.23 H new ATOM 0 HB THR A 24 -3.175 -6.224 9.162 1.00 13.33 H new ATOM 0 HG1 THR A 24 -3.517 -8.498 9.149 1.00 12.31 H new ATOM 0 HG21 THR A 24 -4.689 -7.250 7.449 1.00 25.35 H new ATOM 0 HG22 THR A 24 -3.874 -5.802 6.812 1.00 25.35 H new ATOM 0 HG23 THR A 24 -3.304 -7.422 6.345 1.00 25.35 H new ATOM 351 N GLY A 25 -0.272 -8.281 7.132 1.00 44.51 N ATOM 352 CA GLY A 25 0.423 -9.131 6.157 1.00 64.43 C ATOM 353 C GLY A 25 1.883 -8.910 6.400 1.00 40.22 C ATOM 354 O GLY A 25 2.253 -8.296 7.407 1.00 54.11 O ATOM 0 H GLY A 25 -0.348 -8.690 8.063 1.00 44.51 H new ATOM 0 HA2 GLY A 25 0.157 -10.180 6.291 1.00 64.43 H new ATOM 0 HA3 GLY A 25 0.150 -8.861 5.137 1.00 64.43 H new ATOM 358 N GLY A 26 2.764 -9.359 5.476 1.00 12.01 N ATOM 359 CA GLY A 26 4.159 -8.998 5.590 1.00 74.10 C ATOM 360 C GLY A 26 5.020 -10.131 5.151 1.00 21.33 C ATOM 361 O GLY A 26 5.047 -10.488 3.988 1.00 14.40 O ATOM 0 H GLY A 26 2.527 -9.949 4.678 1.00 12.01 H new ATOM 0 HA2 GLY A 26 4.365 -8.118 4.981 1.00 74.10 H new ATOM 0 HA3 GLY A 26 4.391 -8.734 6.622 1.00 74.10 H new ATOM 365 N VAL A 27 5.797 -10.656 6.128 1.00 20.31 N ATOM 366 CA VAL A 27 6.983 -11.523 5.945 1.00 71.31 C ATOM 367 C VAL A 27 6.742 -12.874 5.225 1.00 61.32 C ATOM 368 O VAL A 27 7.512 -13.801 5.425 1.00 63.33 O ATOM 369 CB VAL A 27 7.837 -11.727 7.184 1.00 34.11 C ATOM 370 CG1 VAL A 27 9.320 -11.718 6.729 1.00 32.25 C ATOM 371 CG2 VAL A 27 7.512 -10.629 8.203 1.00 51.40 C ATOM 0 H VAL A 27 5.603 -10.477 7.113 1.00 20.31 H new ATOM 0 HA VAL A 27 7.558 -10.909 5.252 1.00 71.31 H new ATOM 0 HB VAL A 27 7.635 -12.678 7.677 1.00 34.11 H new ATOM 0 HG11 VAL A 27 9.967 -11.862 7.594 1.00 32.25 H new ATOM 0 HG12 VAL A 27 9.486 -12.523 6.014 1.00 32.25 H new ATOM 0 HG13 VAL A 27 9.551 -10.762 6.259 1.00 32.25 H new ATOM 0 HG21 VAL A 27 8.122 -10.769 9.096 1.00 51.40 H new ATOM 0 HG22 VAL A 27 7.726 -9.653 7.767 1.00 51.40 H new ATOM 0 HG23 VAL A 27 6.457 -10.683 8.472 1.00 51.40 H new ATOM 381 N ASN A 28 5.647 -13.016 4.465 1.00 53.05 N ATOM 382 CA ASN A 28 5.263 -14.289 3.768 1.00 72.32 C ATOM 383 C ASN A 28 4.468 -15.105 4.702 1.00 20.34 C ATOM 384 O ASN A 28 4.149 -16.256 4.417 1.00 15.31 O ATOM 385 CB ASN A 28 6.403 -15.189 3.186 1.00 1.32 C ATOM 386 CG ASN A 28 7.202 -14.400 2.162 1.00 30.03 C ATOM 387 OD1 ASN A 28 6.676 -13.980 1.123 1.00 50.21 O ATOM 388 ND2 ASN A 28 8.509 -14.184 2.430 1.00 35.25 N ATOM 0 H ASN A 28 4.987 -12.255 4.305 1.00 53.05 H new ATOM 0 HA ASN A 28 4.723 -13.947 2.885 1.00 72.32 H new ATOM 0 HB2 ASN A 28 7.057 -15.530 3.989 1.00 1.32 H new ATOM 0 HB3 ASN A 28 5.977 -16.079 2.723 1.00 1.32 H new ATOM 0 HD21 ASN A 28 9.086 -13.664 1.769 1.00 35.25 H new ATOM 0 HD22 ASN A 28 8.918 -14.541 3.293 1.00 35.25 H new ATOM 395 N THR A 29 4.115 -14.476 5.834 1.00 1.02 N ATOM 396 CA THR A 29 2.951 -14.794 6.683 1.00 21.15 C ATOM 397 C THR A 29 1.690 -15.169 5.821 1.00 64.50 C ATOM 398 O THR A 29 1.796 -15.520 4.684 1.00 63.44 O ATOM 399 CB THR A 29 2.641 -13.705 7.697 1.00 43.44 C ATOM 400 OG1 THR A 29 2.415 -12.448 7.049 1.00 71.44 O ATOM 401 CG2 THR A 29 3.864 -13.581 8.639 1.00 74.43 C ATOM 0 H THR A 29 4.658 -13.694 6.202 1.00 1.02 H new ATOM 0 HA THR A 29 3.226 -15.675 7.263 1.00 21.15 H new ATOM 0 HB THR A 29 1.738 -13.966 8.249 1.00 43.44 H new ATOM 0 HG1 THR A 29 2.216 -11.764 7.722 1.00 71.44 H new ATOM 0 HG21 THR A 29 3.674 -12.806 9.381 1.00 74.43 H new ATOM 0 HG22 THR A 29 4.033 -14.533 9.143 1.00 74.43 H new ATOM 0 HG23 THR A 29 4.747 -13.317 8.056 1.00 74.43 H new ATOM 409 N SER A 30 0.492 -15.220 6.445 1.00 55.31 N ATOM 410 CA SER A 30 -0.733 -15.788 5.828 1.00 74.42 C ATOM 411 C SER A 30 -0.913 -15.454 4.300 1.00 51.33 C ATOM 412 O SER A 30 -1.488 -16.264 3.565 1.00 74.51 O ATOM 413 CB SER A 30 -2.032 -15.416 6.604 1.00 24.52 C ATOM 414 OG SER A 30 -3.111 -16.300 6.259 1.00 63.20 O ATOM 0 H SER A 30 0.345 -14.869 7.391 1.00 55.31 H new ATOM 0 HA SER A 30 -0.574 -16.864 5.901 1.00 74.42 H new ATOM 0 HB2 SER A 30 -1.846 -15.466 7.677 1.00 24.52 H new ATOM 0 HB3 SER A 30 -2.313 -14.388 6.377 1.00 24.52 H new ATOM 0 HG SER A 30 -3.914 -16.047 6.760 1.00 63.20 H new ATOM 420 N VAL A 31 -0.400 -14.299 3.785 1.00 12.11 N ATOM 421 CA VAL A 31 -0.524 -14.038 2.357 1.00 13.40 C ATOM 422 C VAL A 31 0.640 -14.690 1.648 1.00 44.45 C ATOM 423 O VAL A 31 1.793 -14.562 2.047 1.00 40.44 O ATOM 424 CB VAL A 31 -0.563 -12.583 1.966 1.00 44.33 C ATOM 425 CG1 VAL A 31 -1.941 -12.060 2.319 1.00 53.44 C ATOM 426 CG2 VAL A 31 0.587 -11.812 2.672 1.00 0.31 C ATOM 0 H VAL A 31 0.078 -13.577 4.324 1.00 12.11 H new ATOM 0 HA VAL A 31 -1.489 -14.451 2.064 1.00 13.40 H new ATOM 0 HB VAL A 31 -0.401 -12.443 0.897 1.00 44.33 H new ATOM 0 HG11 VAL A 31 -2.010 -11.006 2.050 1.00 53.44 H new ATOM 0 HG12 VAL A 31 -2.696 -12.624 1.771 1.00 53.44 H new ATOM 0 HG13 VAL A 31 -2.110 -12.173 3.390 1.00 53.44 H new ATOM 0 HG21 VAL A 31 0.551 -10.761 2.384 1.00 0.31 H new ATOM 0 HG22 VAL A 31 0.472 -11.896 3.753 1.00 0.31 H new ATOM 0 HG23 VAL A 31 1.546 -12.237 2.375 1.00 0.31 H new ATOM 436 N ARG A 32 0.337 -15.381 0.529 1.00 25.54 N ATOM 437 CA ARG A 32 1.361 -16.073 -0.241 1.00 41.15 C ATOM 438 C ARG A 32 2.222 -15.058 -0.922 1.00 72.51 C ATOM 439 O ARG A 32 3.358 -15.331 -1.264 1.00 44.11 O ATOM 440 CB ARG A 32 0.763 -17.043 -1.320 1.00 64.10 C ATOM 441 CG ARG A 32 -0.368 -16.444 -2.205 1.00 44.11 C ATOM 442 CD ARG A 32 0.101 -15.638 -3.446 1.00 2.33 C ATOM 443 NE ARG A 32 -1.054 -14.773 -3.884 1.00 44.11 N ATOM 444 CZ ARG A 32 -0.914 -13.791 -4.869 1.00 55.54 C ATOM 445 NH1 ARG A 32 0.276 -13.605 -5.523 1.00 3.32 N ATOM 446 NH2 ARG A 32 -1.966 -12.999 -5.172 1.00 20.10 N ATOM 0 H ARG A 32 -0.606 -15.467 0.150 1.00 25.54 H new ATOM 0 HA ARG A 32 1.938 -16.681 0.456 1.00 41.15 H new ATOM 0 HB2 ARG A 32 1.571 -17.377 -1.971 1.00 64.10 H new ATOM 0 HB3 ARG A 32 0.375 -17.927 -0.814 1.00 64.10 H new ATOM 0 HG2 ARG A 32 -1.008 -17.259 -2.545 1.00 44.11 H new ATOM 0 HG3 ARG A 32 -0.983 -15.793 -1.584 1.00 44.11 H new ATOM 0 HD2 ARG A 32 0.968 -15.025 -3.200 1.00 2.33 H new ATOM 0 HD3 ARG A 32 0.403 -16.310 -4.249 1.00 2.33 H new ATOM 0 HE ARG A 32 -1.966 -14.909 -3.448 1.00 44.11 H new ATOM 0 HH11 ARG A 32 1.080 -14.189 -5.294 1.00 3.32 H new ATOM 0 HH12 ARG A 32 0.357 -12.883 -6.239 1.00 3.32 H new ATOM 0 HH21 ARG A 32 -2.853 -13.120 -4.683 1.00 20.10 H new ATOM 0 HH22 ARG A 32 -1.873 -12.280 -5.889 1.00 20.10 H new ATOM 460 N HIS A 33 1.679 -13.838 -1.153 1.00 14.11 N ATOM 461 CA HIS A 33 2.407 -12.859 -1.941 1.00 64.42 C ATOM 462 C HIS A 33 3.378 -12.137 -1.051 1.00 14.35 C ATOM 463 O HIS A 33 4.240 -11.440 -1.534 1.00 52.20 O ATOM 464 CB HIS A 33 1.507 -11.813 -2.653 1.00 30.43 C ATOM 465 CG HIS A 33 2.235 -11.113 -3.786 1.00 72.41 C ATOM 466 ND1 HIS A 33 1.600 -10.337 -4.726 1.00 55.34 N ATOM 467 CD2 HIS A 33 3.544 -11.126 -4.115 1.00 51.13 C ATOM 468 CE1 HIS A 33 2.510 -9.912 -5.588 1.00 34.02 C ATOM 469 NE2 HIS A 33 3.689 -10.373 -5.223 1.00 71.02 N ATOM 0 H HIS A 33 0.769 -13.531 -0.811 1.00 14.11 H new ATOM 0 HA HIS A 33 2.913 -13.418 -2.728 1.00 64.42 H new ATOM 0 HB2 HIS A 33 0.617 -12.307 -3.044 1.00 30.43 H new ATOM 0 HB3 HIS A 33 1.168 -11.073 -1.928 1.00 30.43 H new ATOM 0 HD1 HIS A 33 0.603 -10.126 -4.754 1.00 55.34 H new ATOM 0 HD2 HIS A 33 4.331 -11.645 -3.587 1.00 51.13 H new ATOM 0 HE1 HIS A 33 2.318 -9.289 -6.449 1.00 34.02 H new ATOM 0 HE2 HIS A 33 4.570 -10.189 -5.702 1.00 71.02 H new ATOM 478 N GLY A 34 3.258 -12.327 0.290 1.00 0.24 N ATOM 479 CA GLY A 34 4.169 -11.686 1.248 1.00 34.24 C ATOM 480 C GLY A 34 4.180 -10.200 1.032 1.00 12.34 C ATOM 481 O GLY A 34 5.177 -9.641 0.606 1.00 21.23 O ATOM 0 H GLY A 34 2.543 -12.915 0.719 1.00 0.24 H new ATOM 0 HA2 GLY A 34 3.855 -11.911 2.267 1.00 34.24 H new ATOM 0 HA3 GLY A 34 5.176 -12.086 1.129 1.00 34.24 H new ATOM 485 N GLY A 35 3.057 -9.536 1.310 1.00 23.34 N ATOM 486 CA GLY A 35 2.974 -8.125 1.085 1.00 43.34 C ATOM 487 C GLY A 35 2.050 -7.620 2.114 1.00 71.31 C ATOM 488 O GLY A 35 1.507 -8.403 2.902 1.00 74.12 O ATOM 0 H GLY A 35 2.211 -9.963 1.687 1.00 23.34 H new ATOM 0 HA2 GLY A 35 3.954 -7.655 1.171 1.00 43.34 H new ATOM 0 HA3 GLY A 35 2.603 -7.908 0.083 1.00 43.34 H new ATOM 492 N ILE A 36 1.839 -6.293 2.128 1.00 11.12 N ATOM 493 CA ILE A 36 1.023 -5.670 3.070 1.00 71.12 C ATOM 494 C ILE A 36 -0.245 -5.400 2.387 1.00 52.31 C ATOM 495 O ILE A 36 -0.260 -5.065 1.212 1.00 52.23 O ATOM 496 CB ILE A 36 1.653 -4.376 3.583 1.00 11.12 C ATOM 497 CG1 ILE A 36 2.066 -4.572 5.012 1.00 64.32 C ATOM 498 CG2 ILE A 36 0.751 -3.124 3.379 1.00 11.34 C ATOM 499 CD1 ILE A 36 2.957 -5.770 5.228 1.00 24.22 C ATOM 0 H ILE A 36 2.258 -5.651 1.455 1.00 11.12 H new ATOM 0 HA ILE A 36 0.879 -6.304 3.945 1.00 71.12 H new ATOM 0 HB ILE A 36 2.538 -4.162 2.983 1.00 11.12 H new ATOM 0 HG12 ILE A 36 2.585 -3.678 5.357 1.00 64.32 H new ATOM 0 HG13 ILE A 36 1.173 -4.679 5.627 1.00 64.32 H new ATOM 0 HG21 ILE A 36 1.261 -2.242 3.766 1.00 11.34 H new ATOM 0 HG22 ILE A 36 0.550 -2.990 2.316 1.00 11.34 H new ATOM 0 HG23 ILE A 36 -0.190 -3.263 3.912 1.00 11.34 H new ATOM 0 HD11 ILE A 36 3.214 -5.847 6.285 1.00 24.22 H new ATOM 0 HD12 ILE A 36 2.434 -6.674 4.915 1.00 24.22 H new ATOM 0 HD13 ILE A 36 3.868 -5.657 4.640 1.00 24.22 H new ATOM 511 N TYR A 37 -1.341 -5.561 3.107 1.00 34.22 N ATOM 512 CA TYR A 37 -2.650 -5.220 2.568 1.00 2.34 C ATOM 513 C TYR A 37 -3.220 -4.226 3.456 1.00 62.45 C ATOM 514 O TYR A 37 -2.767 -4.034 4.589 1.00 31.31 O ATOM 515 CB TYR A 37 -3.731 -6.374 2.354 1.00 11.12 C ATOM 516 CG TYR A 37 -3.415 -7.569 3.169 1.00 64.02 C ATOM 517 CD1 TYR A 37 -2.225 -8.262 2.946 1.00 65.22 C ATOM 518 CD2 TYR A 37 -4.324 -8.056 4.144 1.00 2.34 C ATOM 519 CE1 TYR A 37 -1.877 -9.330 3.716 1.00 51.12 C ATOM 520 CE2 TYR A 37 -3.991 -9.192 4.912 1.00 1.11 C ATOM 521 CZ TYR A 37 -2.745 -9.815 4.718 1.00 55.21 C ATOM 522 OH TYR A 37 -2.368 -10.925 5.507 1.00 31.02 O ATOM 0 H TYR A 37 -1.354 -5.923 4.060 1.00 34.22 H new ATOM 0 HA TYR A 37 -2.444 -4.894 1.549 1.00 2.34 H new ATOM 0 HB2 TYR A 37 -4.720 -6.002 2.620 1.00 11.12 H new ATOM 0 HB3 TYR A 37 -3.767 -6.650 1.300 1.00 11.12 H new ATOM 0 HD1 TYR A 37 -1.568 -7.946 2.149 1.00 65.22 H new ATOM 0 HD2 TYR A 37 -5.270 -7.558 4.298 1.00 2.34 H new ATOM 0 HE1 TYR A 37 -0.924 -9.813 3.558 1.00 51.12 H new ATOM 0 HE2 TYR A 37 -4.686 -9.579 5.642 1.00 1.11 H new ATOM 0 HH TYR A 37 -3.080 -11.127 6.149 1.00 31.02 H new ATOM 532 N VAL A 38 -4.223 -3.534 2.937 1.00 31.44 N ATOM 533 CA VAL A 38 -4.841 -2.494 3.633 1.00 0.12 C ATOM 534 C VAL A 38 -5.901 -3.123 4.492 1.00 22.03 C ATOM 535 O VAL A 38 -6.963 -3.540 4.020 1.00 64.42 O ATOM 536 CB VAL A 38 -5.457 -1.491 2.688 1.00 12.30 C ATOM 537 CG1 VAL A 38 -6.152 -0.395 3.496 1.00 63.25 C ATOM 538 CG2 VAL A 38 -4.320 -0.953 1.781 1.00 12.44 C ATOM 0 H VAL A 38 -4.611 -3.706 2.009 1.00 31.44 H new ATOM 0 HA VAL A 38 -4.112 -1.951 4.234 1.00 0.12 H new ATOM 0 HB VAL A 38 -6.223 -1.936 2.053 1.00 12.30 H new ATOM 0 HG11 VAL A 38 -6.598 0.331 2.816 1.00 63.25 H new ATOM 0 HG12 VAL A 38 -6.932 -0.838 4.115 1.00 63.25 H new ATOM 0 HG13 VAL A 38 -5.423 0.105 4.133 1.00 63.25 H new ATOM 0 HG21 VAL A 38 -4.727 -0.223 1.082 1.00 12.44 H new ATOM 0 HG22 VAL A 38 -3.556 -0.479 2.397 1.00 12.44 H new ATOM 0 HG23 VAL A 38 -3.876 -1.779 1.225 1.00 12.44 H new ATOM 548 N LYS A 39 -5.582 -3.220 5.783 1.00 75.12 N ATOM 549 CA LYS A 39 -6.473 -3.820 6.753 1.00 51.23 C ATOM 550 C LYS A 39 -7.644 -2.899 6.977 1.00 23.14 C ATOM 551 O LYS A 39 -8.752 -3.350 7.252 1.00 4.10 O ATOM 552 CB LYS A 39 -5.792 -4.022 8.126 1.00 10.10 C ATOM 553 CG LYS A 39 -6.499 -5.046 9.024 1.00 12.53 C ATOM 554 CD LYS A 39 -5.928 -5.093 10.448 1.00 52.42 C ATOM 555 CE LYS A 39 -6.415 -6.290 11.285 1.00 13.20 C ATOM 556 NZ LYS A 39 -7.885 -6.408 11.238 1.00 25.34 N ATOM 0 H LYS A 39 -4.702 -2.885 6.175 1.00 75.12 H new ATOM 0 HA LYS A 39 -6.775 -4.789 6.356 1.00 51.23 H new ATOM 0 HB2 LYS A 39 -4.762 -4.342 7.967 1.00 10.10 H new ATOM 0 HB3 LYS A 39 -5.751 -3.064 8.645 1.00 10.10 H new ATOM 0 HG2 LYS A 39 -7.561 -4.806 9.072 1.00 12.53 H new ATOM 0 HG3 LYS A 39 -6.416 -6.035 8.573 1.00 12.53 H new ATOM 0 HD2 LYS A 39 -4.840 -5.123 10.390 1.00 52.42 H new ATOM 0 HD3 LYS A 39 -6.194 -4.171 10.965 1.00 52.42 H new ATOM 0 HE2 LYS A 39 -5.961 -7.208 10.911 1.00 13.20 H new ATOM 0 HE3 LYS A 39 -6.089 -6.172 12.318 1.00 13.20 H new ATOM 0 HZ1 LYS A 39 -8.195 -7.146 11.902 1.00 25.34 H new ATOM 0 HZ2 LYS A 39 -8.315 -5.499 11.505 1.00 25.34 H new ATOM 0 HZ3 LYS A 39 -8.182 -6.662 10.274 1.00 25.34 H new ATOM 570 N ALA A 40 -7.434 -1.591 6.842 1.00 64.01 N ATOM 571 CA ALA A 40 -8.492 -0.665 7.106 1.00 12.44 C ATOM 572 C ALA A 40 -8.065 0.610 6.519 1.00 1.43 C ATOM 573 O ALA A 40 -6.866 0.880 6.414 1.00 14.42 O ATOM 574 CB ALA A 40 -8.773 -0.420 8.601 1.00 73.42 C ATOM 0 H ALA A 40 -6.550 -1.170 6.555 1.00 64.01 H new ATOM 0 HA ALA A 40 -9.411 -1.077 6.688 1.00 12.44 H new ATOM 0 HB1 ALA A 40 -9.589 0.295 8.705 1.00 73.42 H new ATOM 0 HB2 ALA A 40 -9.050 -1.360 9.078 1.00 73.42 H new ATOM 0 HB3 ALA A 40 -7.878 -0.021 9.079 1.00 73.42 H new ATOM 580 N VAL A 41 -9.040 1.425 6.104 1.00 4.15 N ATOM 581 CA VAL A 41 -8.766 2.704 5.555 1.00 34.11 C ATOM 582 C VAL A 41 -9.439 3.645 6.500 1.00 3.43 C ATOM 583 O VAL A 41 -10.592 3.417 6.883 1.00 63.23 O ATOM 584 CB VAL A 41 -9.393 2.908 4.166 1.00 63.32 C ATOM 585 CG1 VAL A 41 -8.775 4.160 3.515 1.00 31.40 C ATOM 586 CG2 VAL A 41 -9.177 1.636 3.323 1.00 2.12 C ATOM 0 H VAL A 41 -10.032 1.192 6.150 1.00 4.15 H new ATOM 0 HA VAL A 41 -7.692 2.846 5.436 1.00 34.11 H new ATOM 0 HB VAL A 41 -10.468 3.073 4.241 1.00 63.32 H new ATOM 0 HG11 VAL A 41 -9.214 4.312 2.529 1.00 31.40 H new ATOM 0 HG12 VAL A 41 -8.975 5.031 4.139 1.00 31.40 H new ATOM 0 HG13 VAL A 41 -7.698 4.024 3.415 1.00 31.40 H new ATOM 0 HG21 VAL A 41 -9.619 1.774 2.336 1.00 2.12 H new ATOM 0 HG22 VAL A 41 -8.109 1.446 3.218 1.00 2.12 H new ATOM 0 HG23 VAL A 41 -9.650 0.787 3.817 1.00 2.12 H new ATOM 596 N ILE A 42 -8.763 4.721 6.904 1.00 10.15 N ATOM 597 CA ILE A 42 -9.397 5.737 7.716 1.00 3.32 C ATOM 598 C ILE A 42 -10.292 6.522 6.773 1.00 34.34 C ATOM 599 O ILE A 42 -10.002 6.625 5.587 1.00 61.42 O ATOM 600 CB ILE A 42 -8.403 6.676 8.432 1.00 24.01 C ATOM 601 CG1 ILE A 42 -7.717 7.700 7.480 1.00 54.25 C ATOM 602 CG2 ILE A 42 -7.391 5.795 9.194 1.00 74.22 C ATOM 603 CD1 ILE A 42 -6.950 7.060 6.332 1.00 75.04 C ATOM 0 H ILE A 42 -7.785 4.903 6.680 1.00 10.15 H new ATOM 0 HA ILE A 42 -9.952 5.261 8.524 1.00 3.32 H new ATOM 0 HB ILE A 42 -8.949 7.306 9.134 1.00 24.01 H new ATOM 0 HG12 ILE A 42 -8.477 8.365 7.070 1.00 54.25 H new ATOM 0 HG13 ILE A 42 -7.033 8.318 8.061 1.00 54.25 H new ATOM 0 HG21 ILE A 42 -6.673 6.431 9.712 1.00 74.22 H new ATOM 0 HG22 ILE A 42 -7.920 5.178 9.921 1.00 74.22 H new ATOM 0 HG23 ILE A 42 -6.864 5.153 8.488 1.00 74.22 H new ATOM 0 HD11 ILE A 42 -6.502 7.839 5.715 1.00 75.04 H new ATOM 0 HD12 ILE A 42 -6.166 6.417 6.732 1.00 75.04 H new ATOM 0 HD13 ILE A 42 -7.633 6.465 5.726 1.00 75.04 H new ATOM 615 N PRO A 43 -11.414 7.052 7.258 1.00 61.33 N ATOM 616 CA PRO A 43 -12.294 7.822 6.413 1.00 73.10 C ATOM 617 C PRO A 43 -11.642 9.123 6.226 1.00 34.21 C ATOM 618 O PRO A 43 -10.723 9.443 6.998 1.00 54.45 O ATOM 619 CB PRO A 43 -13.527 8.049 7.268 1.00 45.35 C ATOM 620 CG PRO A 43 -12.939 8.154 8.662 1.00 25.41 C ATOM 621 CD PRO A 43 -11.868 7.025 8.649 1.00 45.40 C ATOM 0 HA PRO A 43 -12.520 7.351 5.456 1.00 73.10 H new ATOM 0 HB2 PRO A 43 -14.059 8.956 6.982 1.00 45.35 H new ATOM 0 HB3 PRO A 43 -14.236 7.225 7.187 1.00 45.35 H new ATOM 0 HG2 PRO A 43 -12.497 9.133 8.845 1.00 25.41 H new ATOM 0 HG3 PRO A 43 -13.691 7.994 9.435 1.00 25.41 H new ATOM 0 HD2 PRO A 43 -11.055 7.225 9.347 1.00 45.40 H new ATOM 0 HD3 PRO A 43 -12.291 6.058 8.921 1.00 45.40 H new ATOM 629 N GLN A 44 -12.136 9.919 5.295 1.00 14.34 N ATOM 630 CA GLN A 44 -11.817 11.327 5.235 1.00 45.12 C ATOM 631 C GLN A 44 -10.332 11.599 5.011 1.00 33.30 C ATOM 632 O GLN A 44 -9.916 12.754 4.953 1.00 10.35 O ATOM 633 CB GLN A 44 -12.357 12.067 6.480 1.00 14.22 C ATOM 634 CG GLN A 44 -13.882 12.215 6.407 1.00 12.42 C ATOM 635 CD GLN A 44 -14.418 12.559 7.775 1.00 32.23 C ATOM 636 OE1 GLN A 44 -15.372 11.936 8.244 1.00 32.12 O ATOM 637 NE2 GLN A 44 -13.819 13.553 8.438 1.00 73.32 N ATOM 0 H GLN A 44 -12.770 9.604 4.561 1.00 14.34 H new ATOM 0 HA GLN A 44 -12.323 11.726 4.356 1.00 45.12 H new ATOM 0 HB2 GLN A 44 -12.083 11.519 7.382 1.00 14.22 H new ATOM 0 HB3 GLN A 44 -11.895 13.051 6.552 1.00 14.22 H new ATOM 0 HG2 GLN A 44 -14.149 12.994 5.693 1.00 12.42 H new ATOM 0 HG3 GLN A 44 -14.332 11.288 6.050 1.00 12.42 H new ATOM 0 HE21 GLN A 44 -13.032 14.045 8.016 1.00 73.32 H new ATOM 0 HE22 GLN A 44 -14.149 13.819 9.366 1.00 73.32 H new ATOM 646 N GLY A 45 -9.527 10.551 4.843 1.00 55.11 N ATOM 647 CA GLY A 45 -8.129 10.706 4.548 1.00 41.23 C ATOM 648 C GLY A 45 -7.979 10.599 3.078 1.00 23.12 C ATOM 649 O GLY A 45 -8.965 10.481 2.351 1.00 30.03 O ATOM 0 H GLY A 45 -9.836 9.581 4.910 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -7.765 11.670 4.903 1.00 41.23 H new ATOM 0 HA3 GLY A 45 -7.542 9.938 5.052 1.00 41.23 H new ATOM 653 N ALA A 46 -6.719 10.631 2.605 1.00 33.41 N ATOM 654 CA ALA A 46 -6.420 10.673 1.181 1.00 43.04 C ATOM 655 C ALA A 46 -6.855 9.372 0.561 1.00 60.02 C ATOM 656 O ALA A 46 -7.597 9.360 -0.394 1.00 44.22 O ATOM 657 CB ALA A 46 -4.911 10.866 0.885 1.00 74.41 C ATOM 0 H ALA A 46 -5.893 10.628 3.203 1.00 33.41 H new ATOM 0 HA ALA A 46 -6.953 11.527 0.764 1.00 43.04 H new ATOM 0 HB1 ALA A 46 -4.752 10.889 -0.193 1.00 74.41 H new ATOM 0 HB2 ALA A 46 -4.572 11.805 1.322 1.00 74.41 H new ATOM 0 HB3 ALA A 46 -4.347 10.040 1.317 1.00 74.41 H new ATOM 663 N ALA A 47 -6.382 8.244 1.138 1.00 41.01 N ATOM 664 CA ALA A 47 -6.665 6.912 0.581 1.00 22.53 C ATOM 665 C ALA A 47 -8.164 6.704 0.392 1.00 32.11 C ATOM 666 O ALA A 47 -8.604 6.327 -0.695 1.00 34.31 O ATOM 667 CB ALA A 47 -6.105 5.768 1.441 1.00 13.53 C ATOM 0 H ALA A 47 -5.808 8.234 1.981 1.00 41.01 H new ATOM 0 HA ALA A 47 -6.160 6.883 -0.384 1.00 22.53 H new ATOM 0 HB1 ALA A 47 -6.347 4.812 0.977 1.00 13.53 H new ATOM 0 HB2 ALA A 47 -5.023 5.869 1.521 1.00 13.53 H new ATOM 0 HB3 ALA A 47 -6.548 5.810 2.436 1.00 13.53 H new ATOM 673 N GLU A 48 -8.973 6.984 1.433 1.00 33.35 N ATOM 674 CA GLU A 48 -10.430 6.854 1.331 1.00 32.15 C ATOM 675 C GLU A 48 -10.954 7.817 0.289 1.00 55.33 C ATOM 676 O GLU A 48 -11.679 7.424 -0.616 1.00 1.22 O ATOM 677 CB GLU A 48 -11.143 7.175 2.661 1.00 2.05 C ATOM 678 CG GLU A 48 -12.679 7.070 2.604 1.00 73.53 C ATOM 679 CD GLU A 48 -13.063 5.636 2.312 1.00 4.32 C ATOM 680 OE1 GLU A 48 -12.438 4.716 2.881 1.00 72.53 O ATOM 681 OE2 GLU A 48 -14.015 5.413 1.526 1.00 1.50 O ATOM 0 H GLU A 48 -8.640 7.299 2.344 1.00 33.35 H new ATOM 0 HA GLU A 48 -10.635 5.818 1.062 1.00 32.15 H new ATOM 0 HB2 GLU A 48 -10.773 6.496 3.430 1.00 2.05 H new ATOM 0 HB3 GLU A 48 -10.872 8.185 2.970 1.00 2.05 H new ATOM 0 HG2 GLU A 48 -13.114 7.391 3.550 1.00 73.53 H new ATOM 0 HG3 GLU A 48 -13.073 7.730 1.832 1.00 73.53 H new ATOM 688 N SER A 49 -10.598 9.106 0.427 1.00 3.12 N ATOM 689 CA SER A 49 -11.100 10.175 -0.438 1.00 31.14 C ATOM 690 C SER A 49 -10.807 9.844 -1.899 1.00 22.44 C ATOM 691 O SER A 49 -11.632 10.104 -2.784 1.00 5.52 O ATOM 692 CB SER A 49 -10.437 11.546 -0.092 1.00 0.23 C ATOM 693 OG SER A 49 -11.027 12.634 -0.806 1.00 71.14 O ATOM 0 H SER A 49 -9.951 9.431 1.146 1.00 3.12 H new ATOM 0 HA SER A 49 -12.175 10.253 -0.276 1.00 31.14 H new ATOM 0 HB2 SER A 49 -10.524 11.728 0.979 1.00 0.23 H new ATOM 0 HB3 SER A 49 -9.372 11.500 -0.322 1.00 0.23 H new ATOM 0 HG SER A 49 -10.581 13.470 -0.556 1.00 71.14 H new ATOM 699 N ASP A 50 -9.631 9.252 -2.183 1.00 24.42 N ATOM 700 CA ASP A 50 -9.229 9.022 -3.563 1.00 74.10 C ATOM 701 C ASP A 50 -9.990 7.826 -4.073 1.00 2.12 C ATOM 702 O ASP A 50 -10.386 7.775 -5.236 1.00 22.13 O ATOM 703 CB ASP A 50 -7.717 8.772 -3.752 1.00 22.35 C ATOM 704 CG ASP A 50 -7.371 8.965 -5.225 1.00 3.21 C ATOM 705 OD1 ASP A 50 -7.684 10.050 -5.773 1.00 31.21 O ATOM 706 OD2 ASP A 50 -6.791 8.052 -5.839 1.00 34.35 O ATOM 0 H ASP A 50 -8.961 8.934 -1.482 1.00 24.42 H new ATOM 0 HA ASP A 50 -9.455 9.932 -4.119 1.00 74.10 H new ATOM 0 HB2 ASP A 50 -7.140 9.460 -3.135 1.00 22.35 H new ATOM 0 HB3 ASP A 50 -7.458 7.763 -3.432 1.00 22.35 H new ATOM 711 N GLY A 51 -10.266 6.848 -3.177 1.00 0.41 N ATOM 712 CA GLY A 51 -11.141 5.727 -3.518 1.00 31.51 C ATOM 713 C GLY A 51 -10.390 4.708 -4.310 1.00 73.11 C ATOM 714 O GLY A 51 -10.990 3.824 -4.921 1.00 35.12 O ATOM 0 H GLY A 51 -9.895 6.822 -2.227 1.00 0.41 H new ATOM 0 HA2 GLY A 51 -11.534 5.273 -2.608 1.00 31.51 H new ATOM 0 HA3 GLY A 51 -11.996 6.085 -4.091 1.00 31.51 H new ATOM 718 N ARG A 52 -9.057 4.811 -4.321 1.00 52.44 N ATOM 719 CA ARG A 52 -8.233 3.911 -5.107 1.00 22.21 C ATOM 720 C ARG A 52 -7.549 2.974 -4.178 1.00 51.45 C ATOM 721 O ARG A 52 -6.700 2.183 -4.583 1.00 52.01 O ATOM 722 CB ARG A 52 -7.226 4.604 -6.020 1.00 3.22 C ATOM 723 CG ARG A 52 -7.946 5.371 -7.128 1.00 31.31 C ATOM 724 CD ARG A 52 -7.030 5.900 -8.227 1.00 42.41 C ATOM 725 NE ARG A 52 -7.910 6.489 -9.297 1.00 72.14 N ATOM 726 CZ ARG A 52 -8.248 7.826 -9.323 1.00 25.34 C ATOM 727 NH1 ARG A 52 -7.781 8.680 -8.371 1.00 0.34 N ATOM 728 NH2 ARG A 52 -9.066 8.293 -10.304 1.00 22.51 N ATOM 0 H ARG A 52 -8.534 5.510 -3.793 1.00 52.44 H new ATOM 0 HA ARG A 52 -8.896 3.378 -5.789 1.00 22.21 H new ATOM 0 HB2 ARG A 52 -6.609 5.289 -5.438 1.00 3.22 H new ATOM 0 HB3 ARG A 52 -6.555 3.865 -6.458 1.00 3.22 H new ATOM 0 HG2 ARG A 52 -8.694 4.718 -7.578 1.00 31.31 H new ATOM 0 HG3 ARG A 52 -8.482 6.210 -6.683 1.00 31.31 H new ATOM 0 HD2 ARG A 52 -6.350 6.654 -7.831 1.00 42.41 H new ATOM 0 HD3 ARG A 52 -6.415 5.098 -8.634 1.00 42.41 H new ATOM 0 HE ARG A 52 -8.269 5.877 -10.030 1.00 72.14 H new ATOM 0 HH11 ARG A 52 -7.174 8.333 -7.628 1.00 0.34 H new ATOM 0 HH12 ARG A 52 -8.038 9.667 -8.401 1.00 0.34 H new ATOM 0 HH21 ARG A 52 -9.426 7.656 -11.015 1.00 22.51 H new ATOM 0 HH22 ARG A 52 -9.320 9.281 -10.329 1.00 22.51 H new ATOM 742 N ILE A 53 -7.939 3.019 -2.908 1.00 72.14 N ATOM 743 CA ILE A 53 -7.433 2.104 -1.948 1.00 34.30 C ATOM 744 C ILE A 53 -8.687 1.549 -1.363 1.00 52.12 C ATOM 745 O ILE A 53 -9.632 2.290 -1.089 1.00 20.05 O ATOM 746 CB ILE A 53 -6.542 2.723 -0.844 1.00 4.40 C ATOM 747 CG1 ILE A 53 -5.074 2.860 -1.347 1.00 41.00 C ATOM 748 CG2 ILE A 53 -6.601 1.842 0.433 1.00 64.15 C ATOM 749 CD1 ILE A 53 -4.774 4.095 -2.173 1.00 63.54 C ATOM 0 H ILE A 53 -8.610 3.693 -2.539 1.00 72.14 H new ATOM 0 HA ILE A 53 -6.763 1.380 -2.411 1.00 34.30 H new ATOM 0 HB ILE A 53 -6.914 3.719 -0.602 1.00 4.40 H new ATOM 0 HG12 ILE A 53 -4.411 2.854 -0.482 1.00 41.00 H new ATOM 0 HG13 ILE A 53 -4.830 1.980 -1.942 1.00 41.00 H new ATOM 0 HG21 ILE A 53 -5.972 2.281 1.208 1.00 64.15 H new ATOM 0 HG22 ILE A 53 -7.630 1.786 0.789 1.00 64.15 H new ATOM 0 HG23 ILE A 53 -6.242 0.839 0.200 1.00 64.15 H new ATOM 0 HD11 ILE A 53 -3.725 4.088 -2.470 1.00 63.54 H new ATOM 0 HD12 ILE A 53 -5.403 4.099 -3.063 1.00 63.54 H new ATOM 0 HD13 ILE A 53 -4.978 4.987 -1.581 1.00 63.54 H new ATOM 761 N HIS A 54 -8.730 0.231 -1.219 1.00 35.13 N ATOM 762 CA HIS A 54 -9.862 -0.438 -0.655 1.00 23.13 C ATOM 763 C HIS A 54 -9.272 -1.469 0.216 1.00 60.25 C ATOM 764 O HIS A 54 -8.098 -1.817 0.059 1.00 40.44 O ATOM 765 CB HIS A 54 -10.772 -1.144 -1.701 1.00 50.53 C ATOM 766 CG HIS A 54 -11.677 -0.187 -2.443 1.00 63.22 C ATOM 767 ND1 HIS A 54 -11.959 1.110 -2.198 1.00 14.24 N flip ATOM 768 CD2 HIS A 54 -12.454 -0.574 -3.507 1.00 21.43 C flip ATOM 769 CE1 HIS A 54 -12.887 1.506 -3.108 1.00 0.24 C flip ATOM 770 NE2 HIS A 54 -13.176 0.478 -3.896 1.00 23.41 N flip ATOM 0 H HIS A 54 -7.972 -0.393 -1.495 1.00 35.13 H new ATOM 0 HA HIS A 54 -10.503 0.287 -0.153 1.00 23.13 H new ATOM 0 HB2 HIS A 54 -10.146 -1.673 -2.419 1.00 50.53 H new ATOM 0 HB3 HIS A 54 -11.382 -1.893 -1.196 1.00 50.53 H new ATOM 0 HD1 HIS A 54 -11.550 1.688 -1.464 1.00 14.24 H new ATOM 0 HD2 HIS A 54 -12.477 -1.558 -3.951 1.00 21.43 H new ATOM 0 HE1 HIS A 54 -13.318 2.494 -3.178 1.00 0.24 H new ATOM 779 N LYS A 55 -10.061 -1.974 1.192 1.00 63.51 N ATOM 780 CA LYS A 55 -9.578 -2.973 2.107 1.00 75.32 C ATOM 781 C LYS A 55 -9.323 -4.222 1.325 1.00 65.34 C ATOM 782 O LYS A 55 -10.055 -4.540 0.386 1.00 65.00 O ATOM 783 CB LYS A 55 -10.611 -3.333 3.197 1.00 33.14 C ATOM 784 CG LYS A 55 -11.015 -2.154 4.096 1.00 63.21 C ATOM 785 CD LYS A 55 -12.321 -2.410 4.870 1.00 74.14 C ATOM 786 CE LYS A 55 -12.287 -3.626 5.809 1.00 63.14 C ATOM 787 NZ LYS A 55 -11.435 -3.369 6.986 1.00 1.33 N ATOM 0 H LYS A 55 -11.029 -1.692 1.347 1.00 63.51 H new ATOM 0 HA LYS A 55 -8.687 -2.574 2.591 1.00 75.32 H new ATOM 0 HB2 LYS A 55 -11.505 -3.732 2.717 1.00 33.14 H new ATOM 0 HB3 LYS A 55 -10.202 -4.128 3.821 1.00 33.14 H new ATOM 0 HG2 LYS A 55 -10.212 -1.953 4.805 1.00 63.21 H new ATOM 0 HG3 LYS A 55 -11.131 -1.260 3.484 1.00 63.21 H new ATOM 0 HD2 LYS A 55 -12.559 -1.523 5.456 1.00 74.14 H new ATOM 0 HD3 LYS A 55 -13.131 -2.545 4.153 1.00 74.14 H new ATOM 0 HE2 LYS A 55 -13.299 -3.865 6.135 1.00 63.14 H new ATOM 0 HE3 LYS A 55 -11.912 -4.495 5.269 1.00 63.14 H new ATOM 0 HZ1 LYS A 55 -11.638 -4.075 7.722 1.00 1.33 H new ATOM 0 HZ2 LYS A 55 -10.434 -3.433 6.711 1.00 1.33 H new ATOM 0 HZ3 LYS A 55 -11.632 -2.417 7.356 1.00 1.33 H new ATOM 801 N GLY A 56 -8.281 -4.957 1.694 1.00 31.34 N ATOM 802 CA GLY A 56 -8.052 -6.255 1.090 1.00 44.41 C ATOM 803 C GLY A 56 -7.033 -6.106 0.015 1.00 5.41 C ATOM 804 O GLY A 56 -6.272 -7.042 -0.250 1.00 64.40 O ATOM 0 H GLY A 56 -7.595 -4.680 2.396 1.00 31.34 H new ATOM 0 HA2 GLY A 56 -7.708 -6.966 1.841 1.00 44.41 H new ATOM 0 HA3 GLY A 56 -8.981 -6.650 0.679 1.00 44.41 H new ATOM 808 N ASP A 57 -6.988 -4.912 -0.646 1.00 10.13 N ATOM 809 CA ASP A 57 -5.996 -4.659 -1.694 1.00 71.14 C ATOM 810 C ASP A 57 -4.666 -4.644 -1.015 1.00 63.34 C ATOM 811 O ASP A 57 -4.582 -4.365 0.188 1.00 73.35 O ATOM 812 CB ASP A 57 -6.175 -3.296 -2.447 1.00 12.40 C ATOM 813 CG ASP A 57 -7.438 -3.333 -3.311 1.00 75.41 C ATOM 814 OD1 ASP A 57 -8.047 -4.426 -3.471 1.00 3.25 O ATOM 815 OD2 ASP A 57 -7.844 -2.259 -3.841 1.00 72.43 O ATOM 0 H ASP A 57 -7.621 -4.133 -0.465 1.00 10.13 H new ATOM 0 HA ASP A 57 -6.105 -5.435 -2.451 1.00 71.14 H new ATOM 0 HB2 ASP A 57 -6.241 -2.480 -1.727 1.00 12.40 H new ATOM 0 HB3 ASP A 57 -5.304 -3.100 -3.072 1.00 12.40 H new ATOM 820 N ARG A 58 -3.605 -4.987 -1.749 1.00 44.32 N ATOM 821 CA ARG A 58 -2.328 -5.183 -1.146 1.00 41.41 C ATOM 822 C ARG A 58 -1.342 -4.433 -1.966 1.00 21.04 C ATOM 823 O ARG A 58 -1.599 -4.095 -3.105 1.00 75.14 O ATOM 824 CB ARG A 58 -1.895 -6.679 -1.025 1.00 15.22 C ATOM 825 CG ARG A 58 -2.257 -7.498 -2.253 1.00 50.24 C ATOM 826 CD ARG A 58 -1.892 -8.981 -2.144 1.00 3.13 C ATOM 827 NE ARG A 58 -2.336 -9.638 -3.418 1.00 32.31 N ATOM 828 CZ ARG A 58 -3.606 -10.182 -3.576 1.00 4.52 C ATOM 829 NH1 ARG A 58 -4.469 -10.259 -2.538 1.00 33.44 N ATOM 830 NH2 ARG A 58 -4.000 -10.645 -4.798 1.00 5.33 N ATOM 0 H ARG A 58 -3.626 -5.130 -2.759 1.00 44.32 H new ATOM 0 HA ARG A 58 -2.380 -4.822 -0.119 1.00 41.41 H new ATOM 0 HB2 ARG A 58 -0.818 -6.729 -0.865 1.00 15.22 H new ATOM 0 HB3 ARG A 58 -2.368 -7.120 -0.148 1.00 15.22 H new ATOM 0 HG2 ARG A 58 -3.329 -7.411 -2.432 1.00 50.24 H new ATOM 0 HG3 ARG A 58 -1.753 -7.074 -3.121 1.00 50.24 H new ATOM 0 HD2 ARG A 58 -0.819 -9.104 -2.001 1.00 3.13 H new ATOM 0 HD3 ARG A 58 -2.383 -9.437 -1.284 1.00 3.13 H new ATOM 0 HE ARG A 58 -1.681 -9.687 -4.198 1.00 32.31 H new ATOM 0 HH11 ARG A 58 -4.193 -9.915 -1.619 1.00 33.44 H new ATOM 0 HH12 ARG A 58 -5.396 -10.662 -2.674 1.00 33.44 H new ATOM 0 HH21 ARG A 58 -3.363 -10.592 -5.593 1.00 5.33 H new ATOM 0 HH22 ARG A 58 -4.931 -11.044 -4.916 1.00 5.33 H new ATOM 844 N VAL A 59 -0.214 -4.108 -1.338 1.00 23.41 N ATOM 845 CA VAL A 59 0.788 -3.292 -1.923 1.00 22.25 C ATOM 846 C VAL A 59 1.797 -4.223 -2.519 1.00 21.20 C ATOM 847 O VAL A 59 2.180 -5.226 -1.905 1.00 62.22 O ATOM 848 CB VAL A 59 1.470 -2.386 -0.901 1.00 32.33 C ATOM 849 CG1 VAL A 59 2.488 -1.475 -1.617 1.00 35.34 C ATOM 850 CG2 VAL A 59 0.369 -1.583 -0.163 1.00 74.21 C ATOM 0 H VAL A 59 0.011 -4.421 -0.394 1.00 23.41 H new ATOM 0 HA VAL A 59 0.337 -2.635 -2.667 1.00 22.25 H new ATOM 0 HB VAL A 59 2.027 -2.964 -0.164 1.00 32.33 H new ATOM 0 HG11 VAL A 59 2.974 -0.828 -0.887 1.00 35.34 H new ATOM 0 HG12 VAL A 59 3.239 -2.089 -2.115 1.00 35.34 H new ATOM 0 HG13 VAL A 59 1.971 -0.863 -2.356 1.00 35.34 H new ATOM 0 HG21 VAL A 59 0.830 -0.926 0.575 1.00 74.21 H new ATOM 0 HG22 VAL A 59 -0.189 -0.985 -0.883 1.00 74.21 H new ATOM 0 HG23 VAL A 59 -0.309 -2.273 0.339 1.00 74.21 H new ATOM 860 N LEU A 60 2.218 -3.913 -3.749 1.00 72.14 N ATOM 861 CA LEU A 60 3.217 -4.696 -4.440 1.00 52.35 C ATOM 862 C LEU A 60 4.524 -4.017 -4.231 1.00 13.20 C ATOM 863 O LEU A 60 5.456 -4.613 -3.729 1.00 20.35 O ATOM 864 CB LEU A 60 2.983 -4.744 -5.960 1.00 10.23 C ATOM 865 CG LEU A 60 1.739 -5.532 -6.365 1.00 4.51 C ATOM 866 CD1 LEU A 60 1.304 -5.212 -7.779 1.00 10.44 C ATOM 867 CD2 LEU A 60 1.896 -7.037 -6.155 1.00 12.05 C ATOM 0 H LEU A 60 1.871 -3.115 -4.281 1.00 72.14 H new ATOM 0 HA LEU A 60 3.180 -5.714 -4.051 1.00 52.35 H new ATOM 0 HB2 LEU A 60 2.896 -3.725 -6.338 1.00 10.23 H new ATOM 0 HB3 LEU A 60 3.856 -5.188 -6.439 1.00 10.23 H new ATOM 0 HG LEU A 60 0.944 -5.207 -5.694 1.00 4.51 H new ATOM 0 HD11 LEU A 60 0.416 -5.794 -8.027 1.00 10.44 H new ATOM 0 HD12 LEU A 60 1.075 -4.149 -7.858 1.00 10.44 H new ATOM 0 HD13 LEU A 60 2.107 -5.462 -8.472 1.00 10.44 H new ATOM 0 HD21 LEU A 60 0.981 -7.544 -6.460 1.00 12.05 H new ATOM 0 HD22 LEU A 60 2.730 -7.403 -6.753 1.00 12.05 H new ATOM 0 HD23 LEU A 60 2.089 -7.239 -5.101 1.00 12.05 H new ATOM 879 N ALA A 61 4.633 -2.736 -4.645 1.00 21.43 N ATOM 880 CA ALA A 61 5.870 -2.013 -4.483 1.00 60.30 C ATOM 881 C ALA A 61 5.506 -0.668 -3.979 1.00 55.20 C ATOM 882 O ALA A 61 4.427 -0.179 -4.275 1.00 50.34 O ATOM 883 CB ALA A 61 6.629 -1.801 -5.817 1.00 14.01 C ATOM 0 H ALA A 61 3.881 -2.206 -5.085 1.00 21.43 H new ATOM 0 HA ALA A 61 6.516 -2.585 -3.817 1.00 60.30 H new ATOM 0 HB1 ALA A 61 7.551 -1.251 -5.628 1.00 14.01 H new ATOM 0 HB2 ALA A 61 6.868 -2.769 -6.258 1.00 14.01 H new ATOM 0 HB3 ALA A 61 6.003 -1.234 -6.506 1.00 14.01 H new ATOM 889 N VAL A 62 6.418 -0.033 -3.215 1.00 14.34 N ATOM 890 CA VAL A 62 6.212 1.320 -2.761 1.00 44.24 C ATOM 891 C VAL A 62 7.333 2.115 -3.351 1.00 31.43 C ATOM 892 O VAL A 62 8.495 1.847 -3.093 1.00 5.32 O ATOM 893 CB VAL A 62 6.261 1.488 -1.247 1.00 61.32 C ATOM 894 CG1 VAL A 62 6.109 2.990 -0.891 1.00 44.24 C ATOM 895 CG2 VAL A 62 5.164 0.612 -0.625 1.00 70.31 C ATOM 0 H VAL A 62 7.297 -0.451 -2.910 1.00 14.34 H new ATOM 0 HA VAL A 62 5.216 1.639 -3.067 1.00 44.24 H new ATOM 0 HB VAL A 62 7.218 1.162 -0.840 1.00 61.32 H new ATOM 0 HG11 VAL A 62 6.144 3.113 0.192 1.00 44.24 H new ATOM 0 HG12 VAL A 62 6.922 3.556 -1.347 1.00 44.24 H new ATOM 0 HG13 VAL A 62 5.155 3.358 -1.267 1.00 44.24 H new ATOM 0 HG21 VAL A 62 5.184 0.719 0.460 1.00 70.31 H new ATOM 0 HG22 VAL A 62 4.191 0.925 -1.003 1.00 70.31 H new ATOM 0 HG23 VAL A 62 5.338 -0.431 -0.889 1.00 70.31 H new ATOM 905 N ASN A 63 6.973 3.120 -4.168 1.00 31.22 N ATOM 906 CA ASN A 63 7.923 4.047 -4.806 1.00 1.44 C ATOM 907 C ASN A 63 8.967 3.264 -5.583 1.00 24.30 C ATOM 908 O ASN A 63 10.116 3.682 -5.730 1.00 2.33 O ATOM 909 CB ASN A 63 8.618 5.035 -3.816 1.00 21.21 C ATOM 910 CG ASN A 63 9.270 6.176 -4.618 1.00 52.02 C ATOM 911 OD1 ASN A 63 8.676 6.702 -5.566 1.00 4.43 O ATOM 912 ND2 ASN A 63 10.493 6.575 -4.244 1.00 62.34 N ATOM 0 H ASN A 63 6.000 3.314 -4.407 1.00 31.22 H new ATOM 0 HA ASN A 63 7.332 4.668 -5.479 1.00 1.44 H new ATOM 0 HB2 ASN A 63 7.889 5.438 -3.113 1.00 21.21 H new ATOM 0 HB3 ASN A 63 9.371 4.510 -3.228 1.00 21.21 H new ATOM 0 HD21 ASN A 63 10.958 7.332 -4.746 1.00 62.34 H new ATOM 0 HD22 ASN A 63 10.959 6.122 -3.458 1.00 62.34 H new ATOM 919 N GLY A 64 8.561 2.124 -6.136 1.00 72.45 N ATOM 920 CA GLY A 64 9.414 1.369 -6.996 1.00 55.30 C ATOM 921 C GLY A 64 9.978 0.256 -6.232 1.00 20.34 C ATOM 922 O GLY A 64 10.291 -0.781 -6.797 1.00 14.03 O ATOM 0 H GLY A 64 7.637 1.716 -5.991 1.00 72.45 H new ATOM 0 HA2 GLY A 64 8.853 0.995 -7.852 1.00 55.30 H new ATOM 0 HA3 GLY A 64 10.211 2.001 -7.389 1.00 55.30 H new ATOM 926 N VAL A 65 10.143 0.426 -4.918 1.00 5.24 N ATOM 927 CA VAL A 65 10.791 -0.530 -4.133 1.00 34.32 C ATOM 928 C VAL A 65 9.816 -1.663 -3.897 1.00 1.41 C ATOM 929 O VAL A 65 8.774 -1.475 -3.268 1.00 31.15 O ATOM 930 CB VAL A 65 11.181 0.071 -2.797 1.00 12.22 C ATOM 931 CG1 VAL A 65 11.870 -0.979 -1.973 1.00 2.54 C ATOM 932 CG2 VAL A 65 12.061 1.323 -3.055 1.00 25.14 C ATOM 0 H VAL A 65 9.817 1.244 -4.404 1.00 5.24 H new ATOM 0 HA VAL A 65 11.692 -0.882 -4.636 1.00 34.32 H new ATOM 0 HB VAL A 65 10.309 0.399 -2.231 1.00 12.22 H new ATOM 0 HG11 VAL A 65 12.155 -0.556 -1.009 1.00 2.54 H new ATOM 0 HG12 VAL A 65 11.194 -1.819 -1.815 1.00 2.54 H new ATOM 0 HG13 VAL A 65 12.762 -1.324 -2.496 1.00 2.54 H new ATOM 0 HG21 VAL A 65 12.350 1.767 -2.102 1.00 25.14 H new ATOM 0 HG22 VAL A 65 12.955 1.032 -3.606 1.00 25.14 H new ATOM 0 HG23 VAL A 65 11.497 2.051 -3.638 1.00 25.14 H new ATOM 942 N SER A 66 10.151 -2.861 -4.436 1.00 75.45 N ATOM 943 CA SER A 66 9.332 -4.047 -4.263 1.00 20.53 C ATOM 944 C SER A 66 9.135 -4.289 -2.780 1.00 72.41 C ATOM 945 O SER A 66 10.073 -4.210 -1.985 1.00 4.30 O ATOM 946 CB SER A 66 9.902 -5.322 -4.928 1.00 11.12 C ATOM 947 OG SER A 66 8.894 -6.335 -5.035 1.00 4.24 O ATOM 0 H SER A 66 10.991 -3.013 -4.994 1.00 75.45 H new ATOM 0 HA SER A 66 8.387 -3.850 -4.769 1.00 20.53 H new ATOM 0 HB2 SER A 66 10.287 -5.080 -5.919 1.00 11.12 H new ATOM 0 HB3 SER A 66 10.741 -5.698 -4.343 1.00 11.12 H new ATOM 0 HG SER A 66 9.275 -7.132 -5.460 1.00 4.24 H new ATOM 953 N LEU A 67 7.875 -4.495 -2.398 1.00 71.15 N ATOM 954 CA LEU A 67 7.473 -4.543 -1.024 1.00 21.45 C ATOM 955 C LEU A 67 7.381 -5.988 -0.675 1.00 13.21 C ATOM 956 O LEU A 67 7.279 -6.356 0.472 1.00 45.11 O ATOM 957 CB LEU A 67 6.062 -3.900 -0.873 1.00 0.33 C ATOM 958 CG LEU A 67 5.756 -3.190 0.446 1.00 43.32 C ATOM 959 CD1 LEU A 67 5.240 -4.133 1.538 1.00 60.23 C ATOM 960 CD2 LEU A 67 6.885 -2.245 0.903 1.00 34.53 C ATOM 0 H LEU A 67 7.107 -4.633 -3.055 1.00 71.15 H new ATOM 0 HA LEU A 67 8.174 -4.008 -0.383 1.00 21.45 H new ATOM 0 HB2 LEU A 67 5.930 -3.182 -1.682 1.00 0.33 H new ATOM 0 HB3 LEU A 67 5.317 -4.683 -1.016 1.00 0.33 H new ATOM 0 HG LEU A 67 4.914 -2.530 0.239 1.00 43.32 H new ATOM 0 HD11 LEU A 67 5.043 -3.564 2.447 1.00 60.23 H new ATOM 0 HD12 LEU A 67 4.319 -4.610 1.202 1.00 60.23 H new ATOM 0 HD13 LEU A 67 5.990 -4.897 1.744 1.00 60.23 H new ATOM 0 HD21 LEU A 67 6.605 -1.773 1.845 1.00 34.53 H new ATOM 0 HD22 LEU A 67 7.803 -2.816 1.042 1.00 34.53 H new ATOM 0 HD23 LEU A 67 7.046 -1.477 0.146 1.00 34.53 H new ATOM 972 N GLU A 68 7.432 -6.847 -1.711 1.00 21.41 N ATOM 973 CA GLU A 68 7.391 -8.281 -1.544 1.00 43.44 C ATOM 974 C GLU A 68 8.470 -8.711 -0.574 1.00 62.54 C ATOM 975 O GLU A 68 9.653 -8.382 -0.742 1.00 22.42 O ATOM 976 CB GLU A 68 7.650 -9.031 -2.863 1.00 14.24 C ATOM 977 CG GLU A 68 6.559 -8.834 -3.922 1.00 33.32 C ATOM 978 CD GLU A 68 6.923 -9.665 -5.144 1.00 63.50 C ATOM 979 OE1 GLU A 68 8.036 -10.243 -5.180 1.00 0.22 O ATOM 980 OE2 GLU A 68 6.091 -9.752 -6.073 1.00 62.52 O ATOM 0 H GLU A 68 7.503 -6.548 -2.684 1.00 21.41 H new ATOM 0 HA GLU A 68 6.393 -8.524 -1.180 1.00 43.44 H new ATOM 0 HB2 GLU A 68 8.604 -8.701 -3.274 1.00 14.24 H new ATOM 0 HB3 GLU A 68 7.746 -10.096 -2.650 1.00 14.24 H new ATOM 0 HG2 GLU A 68 5.589 -9.140 -3.530 1.00 33.32 H new ATOM 0 HG3 GLU A 68 6.476 -7.781 -4.190 1.00 33.32 H new ATOM 987 N GLY A 69 8.073 -9.456 0.478 1.00 51.23 N ATOM 988 CA GLY A 69 9.035 -10.029 1.397 1.00 14.30 C ATOM 989 C GLY A 69 9.324 -9.045 2.478 1.00 51.12 C ATOM 990 O GLY A 69 9.947 -9.401 3.490 1.00 53.21 O ATOM 0 H GLY A 69 7.099 -9.664 0.698 1.00 51.23 H new ATOM 0 HA2 GLY A 69 8.643 -10.952 1.824 1.00 14.30 H new ATOM 0 HA3 GLY A 69 9.953 -10.287 0.868 1.00 14.30 H new ATOM 994 N ALA A 70 8.891 -7.771 2.304 1.00 63.35 N ATOM 995 CA ALA A 70 9.176 -6.745 3.277 1.00 23.14 C ATOM 996 C ALA A 70 8.301 -6.997 4.454 1.00 2.41 C ATOM 997 O ALA A 70 7.211 -7.553 4.327 1.00 53.14 O ATOM 998 CB ALA A 70 8.906 -5.306 2.770 1.00 73.31 C ATOM 0 H ALA A 70 8.350 -7.455 1.499 1.00 63.35 H new ATOM 0 HA ALA A 70 10.239 -6.798 3.511 1.00 23.14 H new ATOM 0 HB1 ALA A 70 9.144 -4.592 3.558 1.00 73.31 H new ATOM 0 HB2 ALA A 70 9.528 -5.105 1.898 1.00 73.31 H new ATOM 0 HB3 ALA A 70 7.855 -5.208 2.497 1.00 73.31 H new ATOM 1004 N THR A 71 8.789 -6.641 5.641 1.00 14.42 N ATOM 1005 CA THR A 71 8.060 -6.914 6.834 1.00 40.02 C ATOM 1006 C THR A 71 7.017 -5.814 6.990 1.00 4.40 C ATOM 1007 O THR A 71 6.963 -4.884 6.191 1.00 73.43 O ATOM 1008 CB THR A 71 8.965 -6.963 8.066 1.00 72.40 C ATOM 1009 OG1 THR A 71 9.588 -5.685 8.300 1.00 41.15 O ATOM 1010 CG2 THR A 71 10.074 -8.006 7.812 1.00 11.05 C ATOM 0 H THR A 71 9.681 -6.167 5.781 1.00 14.42 H new ATOM 0 HA THR A 71 7.593 -7.896 6.756 1.00 40.02 H new ATOM 0 HB THR A 71 8.363 -7.225 8.936 1.00 72.40 H new ATOM 0 HG1 THR A 71 10.160 -5.740 9.094 1.00 41.15 H new ATOM 0 HG21 THR A 71 10.731 -8.057 8.680 1.00 11.05 H new ATOM 0 HG22 THR A 71 9.622 -8.983 7.641 1.00 11.05 H new ATOM 0 HG23 THR A 71 10.653 -7.716 6.935 1.00 11.05 H new ATOM 1018 N HIS A 72 6.175 -5.914 8.037 1.00 43.45 N ATOM 1019 CA HIS A 72 5.165 -4.924 8.286 1.00 15.22 C ATOM 1020 C HIS A 72 5.843 -3.626 8.637 1.00 32.30 C ATOM 1021 O HIS A 72 5.469 -2.580 8.127 1.00 24.45 O ATOM 1022 CB HIS A 72 4.097 -5.321 9.358 1.00 33.34 C ATOM 1023 CG HIS A 72 4.589 -5.476 10.785 1.00 2.42 C ATOM 1024 ND1 HIS A 72 4.734 -4.415 11.628 1.00 12.24 N ATOM 1025 CD2 HIS A 72 4.892 -6.585 11.488 1.00 41.13 C ATOM 1026 CE1 HIS A 72 5.128 -4.866 12.809 1.00 45.01 C ATOM 1027 NE2 HIS A 72 5.228 -6.185 12.746 1.00 41.20 N ATOM 0 H HIS A 72 6.192 -6.679 8.712 1.00 43.45 H new ATOM 0 HA HIS A 72 4.585 -4.824 7.369 1.00 15.22 H new ATOM 0 HB2 HIS A 72 3.310 -4.567 9.349 1.00 33.34 H new ATOM 0 HB3 HIS A 72 3.641 -6.262 9.051 1.00 33.34 H new ATOM 0 HD2 HIS A 72 4.872 -7.601 11.122 1.00 41.13 H new ATOM 0 HE1 HIS A 72 5.334 -4.259 13.679 1.00 45.01 H new ATOM 0 HE2 HIS A 72 5.509 -6.798 13.511 1.00 41.20 H new ATOM 1036 N LYS A 73 6.894 -3.669 9.502 1.00 52.25 N ATOM 1037 CA LYS A 73 7.663 -2.468 9.828 1.00 13.14 C ATOM 1038 C LYS A 73 8.175 -1.815 8.560 1.00 35.12 C ATOM 1039 O LYS A 73 7.879 -0.655 8.303 1.00 11.41 O ATOM 1040 CB LYS A 73 8.878 -2.770 10.732 1.00 31.41 C ATOM 1041 CG LYS A 73 9.639 -1.521 11.197 1.00 12.51 C ATOM 1042 CD LYS A 73 10.863 -1.855 12.048 1.00 53.43 C ATOM 1043 CE LYS A 73 11.609 -0.620 12.577 1.00 40.34 C ATOM 1044 NZ LYS A 73 12.094 0.227 11.463 1.00 44.43 N ATOM 0 H LYS A 73 7.213 -4.516 9.972 1.00 52.25 H new ATOM 0 HA LYS A 73 6.985 -1.805 10.365 1.00 13.14 H new ATOM 0 HB2 LYS A 73 8.537 -3.322 11.608 1.00 31.41 H new ATOM 0 HB3 LYS A 73 9.566 -3.421 10.193 1.00 31.41 H new ATOM 0 HG2 LYS A 73 9.954 -0.948 10.325 1.00 12.51 H new ATOM 0 HG3 LYS A 73 8.966 -0.884 11.771 1.00 12.51 H new ATOM 0 HD2 LYS A 73 10.550 -2.468 12.893 1.00 53.43 H new ATOM 0 HD3 LYS A 73 11.552 -2.457 11.456 1.00 53.43 H new ATOM 0 HE2 LYS A 73 10.947 -0.038 13.219 1.00 40.34 H new ATOM 0 HE3 LYS A 73 12.452 -0.936 13.192 1.00 40.34 H new ATOM 0 HZ1 LYS A 73 12.694 0.988 11.841 1.00 44.43 H new ATOM 0 HZ2 LYS A 73 12.647 -0.354 10.801 1.00 44.43 H new ATOM 0 HZ3 LYS A 73 11.282 0.642 10.964 1.00 44.43 H new ATOM 1058 N GLN A 74 8.942 -2.581 7.731 1.00 45.40 N ATOM 1059 CA GLN A 74 9.514 -2.060 6.493 1.00 71.03 C ATOM 1060 C GLN A 74 8.423 -1.512 5.609 1.00 14.13 C ATOM 1061 O GLN A 74 8.562 -0.437 5.053 1.00 60.34 O ATOM 1062 CB GLN A 74 10.257 -3.142 5.714 1.00 45.35 C ATOM 1063 CG GLN A 74 11.453 -3.697 6.489 1.00 54.33 C ATOM 1064 CD GLN A 74 12.594 -2.680 6.436 1.00 43.33 C ATOM 1065 OE1 GLN A 74 12.528 -1.675 5.712 1.00 62.05 O ATOM 1066 NE2 GLN A 74 13.659 -2.931 7.205 1.00 64.53 N ATOM 0 H GLN A 74 9.167 -3.559 7.914 1.00 45.40 H new ATOM 0 HA GLN A 74 10.217 -1.275 6.771 1.00 71.03 H new ATOM 0 HB2 GLN A 74 9.570 -3.955 5.480 1.00 45.35 H new ATOM 0 HB3 GLN A 74 10.601 -2.732 4.764 1.00 45.35 H new ATOM 0 HG2 GLN A 74 11.173 -3.895 7.524 1.00 54.33 H new ATOM 0 HG3 GLN A 74 11.774 -4.646 6.058 1.00 54.33 H new ATOM 0 HE21 GLN A 74 13.681 -3.767 7.789 1.00 64.53 H new ATOM 0 HE22 GLN A 74 14.449 -2.286 7.208 1.00 64.53 H new ATOM 1075 N ALA A 75 7.312 -2.257 5.485 1.00 13.53 N ATOM 1076 CA ALA A 75 6.191 -1.869 4.635 1.00 40.14 C ATOM 1077 C ALA A 75 5.767 -0.450 4.921 1.00 12.31 C ATOM 1078 O ALA A 75 5.676 0.377 4.014 1.00 42.13 O ATOM 1079 CB ALA A 75 4.962 -2.755 4.836 1.00 32.21 C ATOM 0 H ALA A 75 7.173 -3.142 5.973 1.00 13.53 H new ATOM 0 HA ALA A 75 6.550 -1.977 3.612 1.00 40.14 H new ATOM 0 HB1 ALA A 75 4.160 -2.420 4.178 1.00 32.21 H new ATOM 0 HB2 ALA A 75 5.216 -3.789 4.601 1.00 32.21 H new ATOM 0 HB3 ALA A 75 4.632 -2.690 5.873 1.00 32.21 H new ATOM 1085 N VAL A 76 5.506 -0.146 6.197 1.00 1.03 N ATOM 1086 CA VAL A 76 5.000 1.156 6.561 1.00 61.51 C ATOM 1087 C VAL A 76 6.151 2.149 6.454 1.00 12.23 C ATOM 1088 O VAL A 76 5.973 3.260 5.969 1.00 63.31 O ATOM 1089 CB VAL A 76 4.415 1.183 7.969 1.00 54.53 C ATOM 1090 CG1 VAL A 76 3.746 2.546 8.224 1.00 71.13 C ATOM 1091 CG2 VAL A 76 3.397 0.036 8.077 1.00 13.34 C ATOM 0 H VAL A 76 5.640 -0.786 6.980 1.00 1.03 H new ATOM 0 HA VAL A 76 4.187 1.418 5.884 1.00 61.51 H new ATOM 0 HB VAL A 76 5.194 1.050 8.720 1.00 54.53 H new ATOM 0 HG11 VAL A 76 3.328 2.564 9.231 1.00 71.13 H new ATOM 0 HG12 VAL A 76 4.487 3.339 8.125 1.00 71.13 H new ATOM 0 HG13 VAL A 76 2.948 2.701 7.498 1.00 71.13 H new ATOM 0 HG21 VAL A 76 2.961 0.030 9.076 1.00 13.34 H new ATOM 0 HG22 VAL A 76 2.609 0.178 7.337 1.00 13.34 H new ATOM 0 HG23 VAL A 76 3.899 -0.914 7.894 1.00 13.34 H new ATOM 1101 N CYS A 77 7.370 1.737 6.935 1.00 34.33 N ATOM 1102 CA CYS A 77 8.557 2.674 6.979 1.00 40.42 C ATOM 1103 C CYS A 77 8.718 3.252 5.536 1.00 5.22 C ATOM 1104 O CYS A 77 9.169 4.321 5.303 1.00 22.33 O ATOM 1105 CB CYS A 77 9.851 1.876 7.341 1.00 33.53 C ATOM 1106 SG CYS A 77 11.383 2.870 7.614 1.00 4.32 S ATOM 0 H CYS A 77 7.558 0.798 7.287 1.00 34.33 H new ATOM 0 HA CYS A 77 8.406 3.457 7.722 1.00 40.42 H new ATOM 0 HB2 CYS A 77 9.654 1.298 8.244 1.00 33.53 H new ATOM 0 HB3 CYS A 77 10.046 1.161 6.541 1.00 33.53 H new ATOM 0 HG CYS A 77 12.369 2.075 7.907 1.00 4.32 H new ATOM 1111 N THR A 78 8.526 2.348 4.527 1.00 23.55 N ATOM 1112 CA THR A 78 8.785 2.677 3.124 1.00 12.40 C ATOM 1113 C THR A 78 7.801 3.747 2.683 1.00 4.45 C ATOM 1114 O THR A 78 8.159 4.679 1.978 1.00 44.54 O ATOM 1115 CB THR A 78 8.656 1.458 2.205 1.00 71.01 C ATOM 1116 OG1 THR A 78 9.414 0.367 2.726 1.00 11.34 O ATOM 1117 CG2 THR A 78 9.217 1.815 0.811 1.00 34.12 C ATOM 0 H THR A 78 8.194 1.395 4.677 1.00 23.55 H new ATOM 0 HA THR A 78 9.812 3.034 3.047 1.00 12.40 H new ATOM 0 HB THR A 78 7.605 1.176 2.138 1.00 71.01 H new ATOM 0 HG1 THR A 78 8.884 -0.106 3.401 1.00 11.34 H new ATOM 0 HG21 THR A 78 9.129 0.952 0.151 1.00 34.12 H new ATOM 0 HG22 THR A 78 8.653 2.649 0.395 1.00 34.12 H new ATOM 0 HG23 THR A 78 10.266 2.096 0.902 1.00 34.12 H new ATOM 1125 N LEU A 79 6.534 3.613 3.129 1.00 23.03 N ATOM 1126 CA LEU A 79 5.474 4.580 2.814 1.00 1.45 C ATOM 1127 C LEU A 79 5.835 5.940 3.378 1.00 62.30 C ATOM 1128 O LEU A 79 5.411 6.959 2.850 1.00 12.10 O ATOM 1129 CB LEU A 79 4.084 4.188 3.380 1.00 52.30 C ATOM 1130 CG LEU A 79 3.455 2.951 2.698 1.00 3.24 C ATOM 1131 CD1 LEU A 79 2.240 2.405 3.477 1.00 74.42 C ATOM 1132 CD2 LEU A 79 3.122 3.205 1.208 1.00 3.42 C ATOM 0 H LEU A 79 6.224 2.836 3.713 1.00 23.03 H new ATOM 0 HA LEU A 79 5.401 4.596 1.727 1.00 1.45 H new ATOM 0 HB2 LEU A 79 4.180 3.992 4.448 1.00 52.30 H new ATOM 0 HB3 LEU A 79 3.406 5.035 3.271 1.00 52.30 H new ATOM 0 HG LEU A 79 4.216 2.171 2.719 1.00 3.24 H new ATOM 0 HD11 LEU A 79 1.835 1.537 2.957 1.00 74.42 H new ATOM 0 HD12 LEU A 79 2.552 2.114 4.480 1.00 74.42 H new ATOM 0 HD13 LEU A 79 1.474 3.178 3.545 1.00 74.42 H new ATOM 0 HD21 LEU A 79 2.683 2.306 0.775 1.00 3.42 H new ATOM 0 HD22 LEU A 79 2.413 4.029 1.129 1.00 3.42 H new ATOM 0 HD23 LEU A 79 4.035 3.458 0.669 1.00 3.42 H new ATOM 1144 N ARG A 80 6.594 5.976 4.488 1.00 21.05 N ATOM 1145 CA ARG A 80 6.945 7.242 5.104 1.00 34.45 C ATOM 1146 C ARG A 80 7.984 7.948 4.255 1.00 52.21 C ATOM 1147 O ARG A 80 7.738 9.065 3.806 1.00 44.24 O ATOM 1148 CB ARG A 80 7.489 7.095 6.543 1.00 64.41 C ATOM 1149 CG ARG A 80 6.404 6.704 7.560 1.00 22.41 C ATOM 1150 CD ARG A 80 5.338 7.807 7.734 1.00 20.21 C ATOM 1151 NE ARG A 80 4.336 7.373 8.762 1.00 43.31 N ATOM 1152 CZ ARG A 80 3.293 8.202 9.137 1.00 41.35 C ATOM 1153 NH1 ARG A 80 3.165 9.449 8.585 1.00 31.15 N ATOM 1154 NH2 ARG A 80 2.402 7.777 10.064 1.00 52.10 N ATOM 0 H ARG A 80 6.965 5.152 4.961 1.00 21.05 H new ATOM 0 HA ARG A 80 6.025 7.823 5.166 1.00 34.45 H new ATOM 0 HB2 ARG A 80 8.276 6.341 6.552 1.00 64.41 H new ATOM 0 HB3 ARG A 80 7.945 8.036 6.851 1.00 64.41 H new ATOM 0 HG2 ARG A 80 5.920 5.783 7.236 1.00 22.41 H new ATOM 0 HG3 ARG A 80 6.870 6.497 8.523 1.00 22.41 H new ATOM 0 HD2 ARG A 80 5.811 8.740 8.042 1.00 20.21 H new ATOM 0 HD3 ARG A 80 4.840 8.000 6.784 1.00 20.21 H new ATOM 0 HE ARG A 80 4.425 6.452 9.192 1.00 43.31 H new ATOM 0 HH11 ARG A 80 3.841 9.772 7.893 1.00 31.15 H new ATOM 0 HH12 ARG A 80 2.394 10.054 8.866 1.00 31.15 H new ATOM 0 HH21 ARG A 80 2.502 6.851 10.481 1.00 52.10 H new ATOM 0 HH22 ARG A 80 1.631 8.382 10.345 1.00 52.10 H new ATOM 1168 N ASN A 81 9.181 7.315 4.051 1.00 40.21 N ATOM 1169 CA ASN A 81 10.334 7.975 3.332 1.00 72.42 C ATOM 1170 C ASN A 81 10.081 8.189 1.835 1.00 73.22 C ATOM 1171 O ASN A 81 10.995 8.054 1.011 1.00 0.05 O ATOM 1172 CB ASN A 81 11.705 7.250 3.495 1.00 53.32 C ATOM 1173 CG ASN A 81 11.616 5.787 3.044 1.00 22.35 C ATOM 1174 OD1 ASN A 81 11.622 4.863 4.011 1.00 35.14 O flip ATOM 1175 ND2 ASN A 81 11.559 5.472 1.848 1.00 65.45 N flip ATOM 0 H ASN A 81 9.377 6.365 4.366 1.00 40.21 H new ATOM 0 HA ASN A 81 10.396 8.941 3.834 1.00 72.42 H new ATOM 0 HB2 ASN A 81 12.465 7.768 2.910 1.00 53.32 H new ATOM 0 HB3 ASN A 81 12.021 7.293 4.537 1.00 53.32 H new ATOM 0 HD21 ASN A 81 11.556 6.196 1.130 1.00 65.45 H new ATOM 0 HD22 ASN A 81 11.515 4.488 1.581 1.00 65.45 H new ATOM 1182 N THR A 82 8.886 8.590 1.477 1.00 20.24 N ATOM 1183 CA THR A 82 8.557 8.941 0.133 1.00 41.50 C ATOM 1184 C THR A 82 8.434 10.442 0.106 1.00 44.42 C ATOM 1185 O THR A 82 8.696 11.121 1.111 1.00 62.13 O ATOM 1186 CB THR A 82 7.261 8.309 -0.301 1.00 52.53 C ATOM 1187 OG1 THR A 82 6.251 8.544 0.691 1.00 71.14 O ATOM 1188 CG2 THR A 82 7.535 6.806 -0.398 1.00 51.45 C ATOM 0 H THR A 82 8.107 8.680 2.129 1.00 20.24 H new ATOM 0 HA THR A 82 9.325 8.584 -0.553 1.00 41.50 H new ATOM 0 HB THR A 82 6.914 8.721 -1.248 1.00 52.53 H new ATOM 0 HG1 THR A 82 6.223 7.788 1.314 1.00 71.14 H new ATOM 0 HG21 THR A 82 6.627 6.290 -0.710 1.00 51.45 H new ATOM 0 HG22 THR A 82 8.324 6.626 -1.128 1.00 51.45 H new ATOM 0 HG23 THR A 82 7.849 6.430 0.576 1.00 51.45 H new ATOM 1196 N GLY A 83 8.051 10.989 -1.043 1.00 73.43 N ATOM 1197 CA GLY A 83 7.937 12.408 -1.188 1.00 10.13 C ATOM 1198 C GLY A 83 6.544 12.811 -0.816 1.00 34.35 C ATOM 1199 O GLY A 83 5.869 12.143 -0.016 1.00 53.21 O ATOM 0 H GLY A 83 7.817 10.456 -1.881 1.00 73.43 H new ATOM 0 HA2 GLY A 83 8.661 12.914 -0.550 1.00 10.13 H new ATOM 0 HA3 GLY A 83 8.156 12.703 -2.214 1.00 10.13 H new ATOM 1203 N GLN A 84 6.103 13.951 -1.394 1.00 4.14 N ATOM 1204 CA GLN A 84 4.797 14.509 -1.122 1.00 42.40 C ATOM 1205 C GLN A 84 3.745 13.516 -1.540 1.00 62.53 C ATOM 1206 O GLN A 84 2.878 13.138 -0.739 1.00 72.43 O ATOM 1207 CB GLN A 84 4.540 15.835 -1.883 1.00 10.00 C ATOM 1208 CG GLN A 84 3.202 16.481 -1.521 1.00 11.12 C ATOM 1209 CD GLN A 84 3.082 17.795 -2.277 1.00 62.14 C ATOM 1210 OE1 GLN A 84 3.898 18.700 -2.099 1.00 61.22 O ATOM 1211 NE2 GLN A 84 2.060 17.921 -3.139 1.00 41.33 N ATOM 0 H GLN A 84 6.655 14.494 -2.058 1.00 4.14 H new ATOM 0 HA GLN A 84 4.754 14.721 -0.054 1.00 42.40 H new ATOM 0 HB2 GLN A 84 5.346 16.535 -1.665 1.00 10.00 H new ATOM 0 HB3 GLN A 84 4.566 15.643 -2.956 1.00 10.00 H new ATOM 0 HG2 GLN A 84 2.378 15.817 -1.782 1.00 11.12 H new ATOM 0 HG3 GLN A 84 3.144 16.655 -0.447 1.00 11.12 H new ATOM 0 HE21 GLN A 84 1.401 17.153 -3.264 1.00 41.33 H new ATOM 0 HE22 GLN A 84 1.943 18.785 -3.669 1.00 41.33 H new ATOM 1220 N VAL A 85 3.810 13.075 -2.799 1.00 54.24 N ATOM 1221 CA VAL A 85 2.873 12.123 -3.318 1.00 11.34 C ATOM 1222 C VAL A 85 3.592 10.807 -3.331 1.00 20.50 C ATOM 1223 O VAL A 85 4.819 10.760 -3.514 1.00 52.22 O ATOM 1224 CB VAL A 85 2.423 12.506 -4.730 1.00 33.11 C ATOM 1225 CG1 VAL A 85 1.509 11.428 -5.337 1.00 10.34 C ATOM 1226 CG2 VAL A 85 1.709 13.859 -4.603 1.00 52.00 C ATOM 0 H VAL A 85 4.516 13.377 -3.470 1.00 54.24 H new ATOM 0 HA VAL A 85 1.971 12.083 -2.707 1.00 11.34 H new ATOM 0 HB VAL A 85 3.273 12.583 -5.408 1.00 33.11 H new ATOM 0 HG11 VAL A 85 1.207 11.730 -6.340 1.00 10.34 H new ATOM 0 HG12 VAL A 85 2.048 10.482 -5.390 1.00 10.34 H new ATOM 0 HG13 VAL A 85 0.624 11.307 -4.712 1.00 10.34 H new ATOM 0 HG21 VAL A 85 1.365 14.182 -5.585 1.00 52.00 H new ATOM 0 HG22 VAL A 85 0.854 13.758 -3.934 1.00 52.00 H new ATOM 0 HG23 VAL A 85 2.400 14.599 -4.199 1.00 52.00 H new ATOM 1236 N VAL A 86 2.851 9.723 -3.083 1.00 60.32 N ATOM 1237 CA VAL A 86 3.415 8.410 -3.004 1.00 0.12 C ATOM 1238 C VAL A 86 2.909 7.687 -4.194 1.00 64.35 C ATOM 1239 O VAL A 86 1.741 7.815 -4.553 1.00 72.23 O ATOM 1240 CB VAL A 86 2.934 7.638 -1.779 1.00 1.11 C ATOM 1241 CG1 VAL A 86 3.732 6.315 -1.646 1.00 63.42 C ATOM 1242 CG2 VAL A 86 3.076 8.547 -0.568 1.00 24.54 C ATOM 0 H VAL A 86 1.842 9.752 -2.934 1.00 60.32 H new ATOM 0 HA VAL A 86 4.501 8.489 -2.947 1.00 0.12 H new ATOM 0 HB VAL A 86 1.886 7.354 -1.869 1.00 1.11 H new ATOM 0 HG11 VAL A 86 3.385 5.767 -0.770 1.00 63.42 H new ATOM 0 HG12 VAL A 86 3.580 5.707 -2.538 1.00 63.42 H new ATOM 0 HG13 VAL A 86 4.793 6.539 -1.537 1.00 63.42 H new ATOM 0 HG21 VAL A 86 2.739 8.020 0.324 1.00 24.54 H new ATOM 0 HG22 VAL A 86 4.121 8.832 -0.448 1.00 24.54 H new ATOM 0 HG23 VAL A 86 2.470 9.442 -0.712 1.00 24.54 H new ATOM 1252 N HIS A 87 3.772 6.902 -4.821 1.00 62.22 N ATOM 1253 CA HIS A 87 3.352 6.035 -5.870 1.00 60.32 C ATOM 1254 C HIS A 87 3.562 4.687 -5.341 1.00 24.41 C ATOM 1255 O HIS A 87 4.581 4.415 -4.715 1.00 14.01 O ATOM 1256 CB HIS A 87 4.166 6.142 -7.171 1.00 72.42 C ATOM 1257 CG HIS A 87 4.060 7.480 -7.828 1.00 23.04 C ATOM 1258 ND1 HIS A 87 4.760 8.568 -7.391 1.00 34.41 N ATOM 1259 CD2 HIS A 87 3.312 7.878 -8.876 1.00 70.14 C ATOM 1260 CE1 HIS A 87 4.449 9.599 -8.155 1.00 41.41 C ATOM 1261 NE2 HIS A 87 3.564 9.199 -9.066 1.00 1.23 N ATOM 0 H HIS A 87 4.769 6.860 -4.608 1.00 62.22 H new ATOM 0 HA HIS A 87 2.327 6.292 -6.137 1.00 60.32 H new ATOM 0 HB2 HIS A 87 5.214 5.934 -6.954 1.00 72.42 H new ATOM 0 HB3 HIS A 87 3.827 5.375 -7.868 1.00 72.42 H new ATOM 0 HD2 HIS A 87 2.639 7.263 -9.455 1.00 70.14 H new ATOM 0 HE1 HIS A 87 4.846 10.599 -8.057 1.00 41.41 H new ATOM 0 HE2 HIS A 87 3.145 9.787 -9.787 1.00 1.23 H new ATOM 1270 N LEU A 88 2.603 3.830 -5.546 1.00 40.35 N ATOM 1271 CA LEU A 88 2.716 2.502 -5.064 1.00 74.52 C ATOM 1272 C LEU A 88 1.800 1.682 -5.854 1.00 53.51 C ATOM 1273 O LEU A 88 0.687 2.093 -6.169 1.00 63.23 O ATOM 1274 CB LEU A 88 2.418 2.318 -3.535 1.00 74.24 C ATOM 1275 CG LEU A 88 0.963 2.615 -3.047 1.00 13.20 C ATOM 1276 CD1 LEU A 88 0.847 2.471 -1.526 1.00 63.14 C ATOM 1277 CD2 LEU A 88 0.396 3.959 -3.529 1.00 3.31 C ATOM 0 H LEU A 88 1.738 4.036 -6.045 1.00 40.35 H new ATOM 0 HA LEU A 88 3.758 2.201 -5.173 1.00 74.52 H new ATOM 0 HB2 LEU A 88 2.661 1.290 -3.265 1.00 74.24 H new ATOM 0 HB3 LEU A 88 3.098 2.963 -2.979 1.00 74.24 H new ATOM 0 HG LEU A 88 0.339 1.856 -3.518 1.00 13.20 H new ATOM 0 HD11 LEU A 88 -0.176 2.684 -1.217 1.00 63.14 H new ATOM 0 HD12 LEU A 88 1.109 1.454 -1.236 1.00 63.14 H new ATOM 0 HD13 LEU A 88 1.526 3.173 -1.041 1.00 63.14 H new ATOM 0 HD21 LEU A 88 -0.616 4.085 -3.145 1.00 3.31 H new ATOM 0 HD22 LEU A 88 1.026 4.771 -3.165 1.00 3.31 H new ATOM 0 HD23 LEU A 88 0.376 3.976 -4.619 1.00 3.31 H new ATOM 1289 N LEU A 89 2.273 0.522 -6.274 1.00 75.44 N ATOM 1290 CA LEU A 89 1.472 -0.391 -7.028 1.00 13.20 C ATOM 1291 C LEU A 89 0.633 -1.136 -6.068 1.00 42.54 C ATOM 1292 O LEU A 89 1.095 -1.552 -4.997 1.00 61.12 O ATOM 1293 CB LEU A 89 2.311 -1.451 -7.787 1.00 50.30 C ATOM 1294 CG LEU A 89 2.922 -0.977 -9.112 1.00 42.43 C ATOM 1295 CD1 LEU A 89 3.629 0.375 -9.008 1.00 63.20 C ATOM 1296 CD2 LEU A 89 3.801 -2.055 -9.765 1.00 60.41 C ATOM 0 H LEU A 89 3.224 0.198 -6.096 1.00 75.44 H new ATOM 0 HA LEU A 89 0.907 0.191 -7.756 1.00 13.20 H new ATOM 0 HB2 LEU A 89 3.116 -1.788 -7.135 1.00 50.30 H new ATOM 0 HB3 LEU A 89 1.679 -2.316 -7.986 1.00 50.30 H new ATOM 0 HG LEU A 89 2.080 -0.810 -9.783 1.00 42.43 H new ATOM 0 HD11 LEU A 89 4.037 0.648 -9.981 1.00 63.20 H new ATOM 0 HD12 LEU A 89 2.916 1.135 -8.687 1.00 63.20 H new ATOM 0 HD13 LEU A 89 4.439 0.307 -8.281 1.00 63.20 H new ATOM 0 HD21 LEU A 89 4.211 -1.673 -10.700 1.00 60.41 H new ATOM 0 HD22 LEU A 89 4.617 -2.317 -9.091 1.00 60.41 H new ATOM 0 HD23 LEU A 89 3.200 -2.941 -9.968 1.00 60.41 H new ATOM 1308 N LEU A 90 -0.606 -1.329 -6.461 1.00 35.25 N ATOM 1309 CA LEU A 90 -1.531 -2.092 -5.678 1.00 73.42 C ATOM 1310 C LEU A 90 -1.738 -3.345 -6.456 1.00 33.53 C ATOM 1311 O LEU A 90 -1.593 -3.348 -7.687 1.00 13.15 O ATOM 1312 CB LEU A 90 -2.957 -1.465 -5.499 1.00 51.34 C ATOM 1313 CG LEU A 90 -3.051 0.084 -5.341 1.00 70.11 C ATOM 1314 CD1 LEU A 90 -2.344 0.675 -4.113 1.00 43.43 C ATOM 1315 CD2 LEU A 90 -2.712 0.833 -6.624 1.00 74.14 C ATOM 0 H LEU A 90 -0.992 -0.960 -7.330 1.00 35.25 H new ATOM 0 HA LEU A 90 -1.109 -2.188 -4.677 1.00 73.42 H new ATOM 0 HB2 LEU A 90 -3.560 -1.752 -6.360 1.00 51.34 H new ATOM 0 HB3 LEU A 90 -3.416 -1.921 -4.622 1.00 51.34 H new ATOM 0 HG LEU A 90 -4.109 0.250 -5.137 1.00 70.11 H new ATOM 0 HD11 LEU A 90 -2.474 1.757 -4.104 1.00 43.43 H new ATOM 0 HD12 LEU A 90 -2.774 0.250 -3.206 1.00 43.43 H new ATOM 0 HD13 LEU A 90 -1.281 0.438 -4.156 1.00 43.43 H new ATOM 0 HD21 LEU A 90 -2.795 1.906 -6.452 1.00 74.14 H new ATOM 0 HD22 LEU A 90 -1.693 0.592 -6.928 1.00 74.14 H new ATOM 0 HD23 LEU A 90 -3.405 0.537 -7.412 1.00 74.14 H new ATOM 1327 N GLU A 91 -2.127 -4.423 -5.786 1.00 63.32 N ATOM 1328 CA GLU A 91 -2.637 -5.573 -6.458 1.00 33.12 C ATOM 1329 C GLU A 91 -3.992 -5.688 -5.866 1.00 20.21 C ATOM 1330 O GLU A 91 -4.136 -5.626 -4.635 1.00 2.05 O ATOM 1331 CB GLU A 91 -1.856 -6.890 -6.136 1.00 70.24 C ATOM 1332 CG GLU A 91 -2.402 -8.152 -6.839 1.00 4.55 C ATOM 1333 CD GLU A 91 -1.649 -9.389 -6.347 1.00 22.25 C ATOM 1334 OE1 GLU A 91 -0.726 -9.270 -5.517 1.00 23.22 O ATOM 1335 OE2 GLU A 91 -2.032 -10.515 -6.742 1.00 54.01 O ATOM 0 H GLU A 91 -2.092 -4.508 -4.770 1.00 63.32 H new ATOM 0 HA GLU A 91 -2.580 -5.459 -7.541 1.00 33.12 H new ATOM 0 HB2 GLU A 91 -0.812 -6.756 -6.419 1.00 70.24 H new ATOM 0 HB3 GLU A 91 -1.875 -7.054 -5.059 1.00 70.24 H new ATOM 0 HG2 GLU A 91 -3.468 -8.260 -6.636 1.00 4.55 H new ATOM 0 HG3 GLU A 91 -2.291 -8.054 -7.919 1.00 4.55 H new ATOM 1342 N LYS A 92 -5.036 -5.795 -6.716 1.00 44.24 N ATOM 1343 CA LYS A 92 -6.394 -5.904 -6.205 1.00 31.24 C ATOM 1344 C LYS A 92 -6.501 -7.147 -5.393 1.00 73.14 C ATOM 1345 O LYS A 92 -5.870 -8.163 -5.695 1.00 3.21 O ATOM 1346 CB LYS A 92 -7.487 -5.991 -7.288 1.00 32.43 C ATOM 1347 CG LYS A 92 -7.772 -4.687 -8.003 1.00 33.42 C ATOM 1348 CD LYS A 92 -8.304 -3.575 -7.076 1.00 11.23 C ATOM 1349 CE LYS A 92 -9.567 -3.970 -6.281 1.00 12.24 C ATOM 1350 NZ LYS A 92 -9.966 -2.879 -5.383 1.00 2.42 N ATOM 0 H LYS A 92 -4.956 -5.807 -7.733 1.00 44.24 H new ATOM 0 HA LYS A 92 -6.564 -4.990 -5.636 1.00 31.24 H new ATOM 0 HB2 LYS A 92 -7.191 -6.737 -8.025 1.00 32.43 H new ATOM 0 HB3 LYS A 92 -8.409 -6.347 -6.827 1.00 32.43 H new ATOM 0 HG2 LYS A 92 -6.858 -4.340 -8.485 1.00 33.42 H new ATOM 0 HG3 LYS A 92 -8.500 -4.868 -8.794 1.00 33.42 H new ATOM 0 HD2 LYS A 92 -7.519 -3.295 -6.374 1.00 11.23 H new ATOM 0 HD3 LYS A 92 -8.526 -2.692 -7.675 1.00 11.23 H new ATOM 0 HE2 LYS A 92 -10.381 -4.200 -6.969 1.00 12.24 H new ATOM 0 HE3 LYS A 92 -9.373 -4.874 -5.703 1.00 12.24 H new ATOM 0 HZ1 LYS A 92 -10.522 -3.265 -4.594 1.00 2.42 H new ATOM 0 HZ2 LYS A 92 -9.117 -2.408 -5.011 1.00 2.42 H new ATOM 0 HZ3 LYS A 92 -10.542 -2.190 -5.908 1.00 2.42 H new ATOM 1364 N GLY A 93 -7.328 -7.087 -4.362 1.00 44.14 N ATOM 1365 CA GLY A 93 -7.546 -8.207 -3.517 1.00 44.31 C ATOM 1366 C GLY A 93 -8.935 -8.640 -3.782 1.00 42.11 C ATOM 1367 O GLY A 93 -9.553 -8.215 -4.760 1.00 33.15 O ATOM 0 H GLY A 93 -7.857 -6.254 -4.103 1.00 44.14 H new ATOM 0 HA2 GLY A 93 -6.838 -9.006 -3.735 1.00 44.31 H new ATOM 0 HA3 GLY A 93 -7.412 -7.939 -2.469 1.00 44.31 H new