USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 640 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 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot -166:sc= 0.0961 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.15 K(o=-0.15,f=-2.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0465 USER MOD Single : A 17 THR OG1 : rot 54:sc= 0.00597 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 54:sc= 1.07 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.145 (180deg=-0.654) USER MOD Single : A 30 GLN : amide:sc= -0.788 K(o=-0.79,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= -0.516 (180deg=-1.81!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : A 43 GLN : amide:sc= -4.64! C(o=-4.6!,f=-9.3!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.07 K(o=-2.1,f=-8.1!) USER MOD Single : A 60 LYS NZ :NH3+ 165:sc=-0.00178 (180deg=-0.0868) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= 0.162 (180deg=0.0928) USER MOD Single : A 67 LYS NZ :NH3+ 163:sc=-0.00959 (180deg=-0.122) USER MOD Single : A 69 ASN : amide:sc= -0.0324 X(o=-0.032,f=-0.26) USER MOD Single : A 70 THR OG1 : rot -68:sc= -1.85! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -177:sc= -2.83 (180deg=-3.03) USER MOD Single : A 75 MET CE :methyl -105:sc= -0.045 (180deg=-0.0606) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 4.021 1.383 -2.649 1.00 63.44 N ATOM 19 CA ALA A 2 4.765 2.603 -2.934 1.00 44.20 C ATOM 20 C ALA A 2 3.834 3.718 -3.398 1.00 4.31 C ATOM 21 O ALA A 2 2.783 3.459 -3.985 1.00 11.21 O ATOM 22 CB ALA A 2 5.836 2.337 -3.982 1.00 32.50 C ATOM 0 HA ALA A 2 5.248 2.928 -2.012 1.00 44.20 H new ATOM 0 HB1 ALA A 2 6.383 3.258 -4.185 1.00 32.50 H new ATOM 0 HB2 ALA A 2 6.526 1.578 -3.613 1.00 32.50 H new ATOM 0 HB3 ALA A 2 5.367 1.984 -4.900 1.00 32.50 H new ATOM 28 N LEU A 3 4.226 4.959 -3.131 1.00 2.12 N ATOM 29 CA LEU A 3 3.426 6.115 -3.521 1.00 31.24 C ATOM 30 C LEU A 3 4.120 6.912 -4.621 1.00 34.41 C ATOM 31 O LEU A 3 5.134 7.572 -4.397 1.00 41.42 O ATOM 32 CB LEU A 3 3.168 7.013 -2.310 1.00 2.33 C ATOM 33 CG LEU A 3 1.728 7.052 -1.797 1.00 40.43 C ATOM 34 CD1 LEU A 3 1.620 7.954 -0.578 1.00 13.33 C ATOM 35 CD2 LEU A 3 0.784 7.521 -2.895 1.00 31.20 C ATOM 0 H LEU A 3 5.093 5.191 -2.646 1.00 2.12 H new ATOM 0 HA LEU A 3 2.473 5.753 -3.907 1.00 31.24 H new ATOM 0 HB2 LEU A 3 3.814 6.685 -1.496 1.00 2.33 H new ATOM 0 HB3 LEU A 3 3.469 8.029 -2.566 1.00 2.33 H new ATOM 0 HG LEU A 3 1.439 6.043 -1.503 1.00 40.43 H new ATOM 0 HD11 LEU A 3 0.588 7.969 -0.227 1.00 13.33 H new ATOM 0 HD12 LEU A 3 2.267 7.575 0.213 1.00 13.33 H new ATOM 0 HD13 LEU A 3 1.927 8.965 -0.845 1.00 13.33 H new ATOM 0 HD21 LEU A 3 -0.237 7.543 -2.513 1.00 31.20 H new ATOM 0 HD22 LEU A 3 1.071 8.521 -3.219 1.00 31.20 H new ATOM 0 HD23 LEU A 3 0.840 6.835 -3.740 1.00 31.20 H new ATOM 47 N PRO A 4 3.560 6.851 -5.838 1.00 61.14 N ATOM 48 CA PRO A 4 4.107 7.563 -6.997 1.00 72.02 C ATOM 49 C PRO A 4 3.932 9.074 -6.885 1.00 21.43 C ATOM 50 O PRO A 4 3.048 9.554 -6.175 1.00 3.34 O ATOM 51 CB PRO A 4 3.288 7.016 -8.169 1.00 35.33 C ATOM 52 CG PRO A 4 2.004 6.569 -7.558 1.00 24.14 C ATOM 53 CD PRO A 4 2.350 6.083 -6.177 1.00 62.13 C ATOM 0 HA PRO A 4 5.181 7.408 -7.100 1.00 72.02 H new ATOM 0 HB2 PRO A 4 3.121 7.782 -8.926 1.00 35.33 H new ATOM 0 HB3 PRO A 4 3.802 6.189 -8.660 1.00 35.33 H new ATOM 0 HG2 PRO A 4 1.286 7.388 -7.515 1.00 24.14 H new ATOM 0 HG3 PRO A 4 1.547 5.775 -8.148 1.00 24.14 H new ATOM 0 HD2 PRO A 4 1.542 6.273 -5.470 1.00 62.13 H new ATOM 0 HD3 PRO A 4 2.539 5.010 -6.164 1.00 62.13 H new ATOM 61 N ILE A 5 4.779 9.817 -7.589 1.00 71.53 N ATOM 62 CA ILE A 5 4.716 11.273 -7.569 1.00 61.40 C ATOM 63 C ILE A 5 5.212 11.863 -8.885 1.00 35.30 C ATOM 64 O ILE A 5 6.220 11.420 -9.435 1.00 25.45 O ATOM 65 CB ILE A 5 5.549 11.856 -6.412 1.00 73.01 C ATOM 66 CG1 ILE A 5 5.097 11.259 -5.078 1.00 35.02 C ATOM 67 CG2 ILE A 5 5.431 13.373 -6.387 1.00 70.40 C ATOM 68 CD1 ILE A 5 5.782 11.874 -3.878 1.00 14.04 C ATOM 0 H ILE A 5 5.517 9.435 -8.180 1.00 71.53 H new ATOM 0 HA ILE A 5 3.670 11.542 -7.425 1.00 61.40 H new ATOM 0 HB ILE A 5 6.595 11.595 -6.569 1.00 73.01 H new ATOM 0 HG12 ILE A 5 4.019 11.389 -4.977 1.00 35.02 H new ATOM 0 HG13 ILE A 5 5.289 10.186 -5.086 1.00 35.02 H new ATOM 0 HG21 ILE A 5 6.025 13.771 -5.564 1.00 70.40 H new ATOM 0 HG22 ILE A 5 5.796 13.782 -7.329 1.00 70.40 H new ATOM 0 HG23 ILE A 5 4.387 13.655 -6.250 1.00 70.40 H new ATOM 0 HD11 ILE A 5 5.413 11.403 -2.967 1.00 14.04 H new ATOM 0 HD12 ILE A 5 6.858 11.721 -3.955 1.00 14.04 H new ATOM 0 HD13 ILE A 5 5.569 12.942 -3.845 1.00 14.04 H new ATOM 80 N ILE A 6 4.496 12.865 -9.384 1.00 4.21 N ATOM 81 CA ILE A 6 4.865 13.518 -10.634 1.00 3.02 C ATOM 82 C ILE A 6 5.703 14.766 -10.376 1.00 23.30 C ATOM 83 O ILE A 6 5.442 15.520 -9.438 1.00 72.54 O ATOM 84 CB ILE A 6 3.621 13.909 -11.453 1.00 43.22 C ATOM 85 CG1 ILE A 6 3.021 12.675 -12.130 1.00 40.43 C ATOM 86 CG2 ILE A 6 3.979 14.966 -12.487 1.00 40.23 C ATOM 87 CD1 ILE A 6 1.509 12.645 -12.100 1.00 50.12 C ATOM 0 H ILE A 6 3.658 13.242 -8.942 1.00 4.21 H new ATOM 0 HA ILE A 6 5.454 12.799 -11.204 1.00 3.02 H new ATOM 0 HB ILE A 6 2.875 14.328 -10.777 1.00 43.22 H new ATOM 0 HG12 ILE A 6 3.357 12.640 -13.166 1.00 40.43 H new ATOM 0 HG13 ILE A 6 3.404 11.780 -11.640 1.00 40.43 H new ATOM 0 HG21 ILE A 6 3.090 15.232 -13.058 1.00 40.23 H new ATOM 0 HG22 ILE A 6 4.365 15.852 -11.983 1.00 40.23 H new ATOM 0 HG23 ILE A 6 4.739 14.572 -13.162 1.00 40.23 H new ATOM 0 HD11 ILE A 6 1.153 11.743 -12.598 1.00 50.12 H new ATOM 0 HD12 ILE A 6 1.165 12.648 -11.066 1.00 50.12 H new ATOM 0 HD13 ILE A 6 1.117 13.522 -12.615 1.00 50.12 H new ATOM 99 N VAL A 7 6.711 14.979 -11.216 1.00 25.23 N ATOM 100 CA VAL A 7 7.587 16.137 -11.081 1.00 52.00 C ATOM 101 C VAL A 7 7.675 16.914 -12.390 1.00 11.45 C ATOM 102 O VAL A 7 8.049 16.366 -13.427 1.00 10.24 O ATOM 103 CB VAL A 7 9.005 15.721 -10.647 1.00 50.32 C ATOM 104 CG1 VAL A 7 9.614 14.763 -11.659 1.00 73.42 C ATOM 105 CG2 VAL A 7 9.887 16.947 -10.465 1.00 13.44 C ATOM 0 H VAL A 7 6.941 14.365 -11.997 1.00 25.23 H new ATOM 0 HA VAL A 7 7.153 16.775 -10.311 1.00 52.00 H new ATOM 0 HB VAL A 7 8.936 15.205 -9.689 1.00 50.32 H new ATOM 0 HG11 VAL A 7 10.616 14.480 -11.335 1.00 73.42 H new ATOM 0 HG12 VAL A 7 8.992 13.871 -11.736 1.00 73.42 H new ATOM 0 HG13 VAL A 7 9.671 15.250 -12.632 1.00 73.42 H new ATOM 0 HG21 VAL A 7 10.885 16.635 -10.158 1.00 13.44 H new ATOM 0 HG22 VAL A 7 9.951 17.492 -11.407 1.00 13.44 H new ATOM 0 HG23 VAL A 7 9.458 17.594 -9.700 1.00 13.44 H new ATOM 115 N LYS A 8 7.328 18.196 -12.334 1.00 62.14 N ATOM 116 CA LYS A 8 7.369 19.052 -13.514 1.00 63.53 C ATOM 117 C LYS A 8 8.543 20.023 -13.441 1.00 60.14 C ATOM 118 O LYS A 8 8.632 20.835 -12.521 1.00 10.23 O ATOM 119 CB LYS A 8 6.058 19.829 -13.652 1.00 21.31 C ATOM 120 CG LYS A 8 5.770 20.748 -12.477 1.00 73.34 C ATOM 121 CD LYS A 8 4.276 20.892 -12.236 1.00 44.21 C ATOM 122 CE LYS A 8 3.629 21.796 -13.274 1.00 1.53 C ATOM 123 NZ LYS A 8 3.325 23.145 -12.721 1.00 51.53 N ATOM 0 H LYS A 8 7.015 18.665 -11.484 1.00 62.14 H new ATOM 0 HA LYS A 8 7.500 18.416 -14.389 1.00 63.53 H new ATOM 0 HB2 LYS A 8 6.091 20.421 -14.566 1.00 21.31 H new ATOM 0 HB3 LYS A 8 5.236 19.122 -13.760 1.00 21.31 H new ATOM 0 HG2 LYS A 8 6.248 20.354 -11.580 1.00 73.34 H new ATOM 0 HG3 LYS A 8 6.205 21.729 -12.666 1.00 73.34 H new ATOM 0 HD2 LYS A 8 3.805 19.909 -12.264 1.00 44.21 H new ATOM 0 HD3 LYS A 8 4.105 21.299 -11.240 1.00 44.21 H new ATOM 0 HE2 LYS A 8 4.293 21.896 -14.133 1.00 1.53 H new ATOM 0 HE3 LYS A 8 2.709 21.335 -13.634 1.00 1.53 H new ATOM 0 HZ1 LYS A 8 2.885 23.731 -13.459 1.00 51.53 H new ATOM 0 HZ2 LYS A 8 2.672 23.052 -11.917 1.00 51.53 H new ATOM 0 HZ3 LYS A 8 4.206 23.595 -12.400 1.00 51.53 H new ATOM 137 N TRP A 9 9.439 19.934 -14.417 1.00 45.42 N ATOM 138 CA TRP A 9 10.607 20.807 -14.464 1.00 1.24 C ATOM 139 C TRP A 9 10.628 21.620 -15.753 1.00 42.03 C ATOM 140 O TRP A 9 11.015 21.118 -16.808 1.00 51.40 O ATOM 141 CB TRP A 9 11.890 19.983 -14.344 1.00 43.33 C ATOM 142 CG TRP A 9 13.110 20.710 -14.824 1.00 52.44 C ATOM 143 CD1 TRP A 9 14.005 20.280 -15.761 1.00 61.43 C ATOM 144 CD2 TRP A 9 13.568 21.995 -14.389 1.00 43.14 C ATOM 145 NE1 TRP A 9 14.993 21.219 -15.935 1.00 13.11 N ATOM 146 CE2 TRP A 9 14.747 22.281 -15.106 1.00 1.24 C ATOM 147 CE3 TRP A 9 13.097 22.932 -13.466 1.00 52.44 C ATOM 148 CZ2 TRP A 9 15.459 23.464 -14.925 1.00 11.12 C ATOM 149 CZ3 TRP A 9 13.805 24.106 -13.288 1.00 33.21 C ATOM 150 CH2 TRP A 9 14.975 24.364 -14.015 1.00 34.24 C ATOM 0 H TRP A 9 9.380 19.267 -15.186 1.00 45.42 H new ATOM 0 HA TRP A 9 10.547 21.498 -13.623 1.00 1.24 H new ATOM 0 HB2 TRP A 9 12.033 19.696 -13.302 1.00 43.33 H new ATOM 0 HB3 TRP A 9 11.776 19.062 -14.915 1.00 43.33 H new ATOM 0 HD1 TRP A 9 13.945 19.339 -16.288 1.00 61.43 H new ATOM 0 HE1 TRP A 9 15.781 21.138 -16.577 1.00 13.11 H new ATOM 0 HE3 TRP A 9 12.196 22.743 -12.902 1.00 52.44 H new ATOM 0 HZ2 TRP A 9 16.362 23.664 -15.483 1.00 11.12 H new ATOM 0 HZ3 TRP A 9 13.450 24.837 -12.576 1.00 33.21 H new ATOM 0 HH2 TRP A 9 15.505 25.291 -13.854 1.00 34.24 H new ATOM 161 N GLY A 10 10.210 22.879 -15.662 1.00 30.13 N ATOM 162 CA GLY A 10 10.189 23.741 -16.829 1.00 63.42 C ATOM 163 C GLY A 10 8.835 23.762 -17.510 1.00 62.01 C ATOM 164 O GLY A 10 8.028 24.659 -17.273 1.00 54.33 O ATOM 0 H GLY A 10 9.885 23.317 -14.800 1.00 30.13 H new ATOM 0 HA2 GLY A 10 10.459 24.755 -16.533 1.00 63.42 H new ATOM 0 HA3 GLY A 10 10.944 23.404 -17.539 1.00 63.42 H new ATOM 168 N GLY A 11 8.586 22.771 -18.361 1.00 23.21 N ATOM 169 CA GLY A 11 7.320 22.699 -19.067 1.00 4.43 C ATOM 170 C GLY A 11 6.917 21.275 -19.391 1.00 31.31 C ATOM 171 O GLY A 11 6.118 21.041 -20.297 1.00 61.23 O ATOM 0 H GLY A 11 9.239 22.017 -18.574 1.00 23.21 H new ATOM 0 HA2 GLY A 11 6.543 23.164 -18.461 1.00 4.43 H new ATOM 0 HA3 GLY A 11 7.390 23.273 -19.991 1.00 4.43 H new ATOM 175 N GLN A 12 7.472 20.321 -18.650 1.00 34.02 N ATOM 176 CA GLN A 12 7.166 18.912 -18.866 1.00 21.35 C ATOM 177 C GLN A 12 6.775 18.233 -17.557 1.00 54.00 C ATOM 178 O GLN A 12 6.829 18.844 -16.490 1.00 73.13 O ATOM 179 CB GLN A 12 8.368 18.197 -19.485 1.00 70.51 C ATOM 180 CG GLN A 12 8.640 18.600 -20.925 1.00 42.31 C ATOM 181 CD GLN A 12 7.929 17.710 -21.925 1.00 42.02 C ATOM 182 OE1 GLN A 12 7.422 16.644 -21.574 1.00 51.33 O ATOM 183 NE2 GLN A 12 7.888 18.143 -23.180 1.00 3.43 N ATOM 0 H GLN A 12 8.135 20.498 -17.896 1.00 34.02 H new ATOM 0 HA GLN A 12 6.322 18.850 -19.553 1.00 21.35 H new ATOM 0 HB2 GLN A 12 9.253 18.406 -18.885 1.00 70.51 H new ATOM 0 HB3 GLN A 12 8.201 17.121 -19.443 1.00 70.51 H new ATOM 0 HG2 GLN A 12 8.325 19.633 -21.075 1.00 42.31 H new ATOM 0 HG3 GLN A 12 9.713 18.564 -21.112 1.00 42.31 H new ATOM 0 HE21 GLN A 12 8.321 19.033 -23.427 1.00 3.43 H new ATOM 0 HE22 GLN A 12 7.423 17.586 -23.897 1.00 3.43 H new ATOM 192 N GLU A 13 6.380 16.967 -17.648 1.00 22.33 N ATOM 193 CA GLU A 13 5.979 16.206 -16.470 1.00 55.31 C ATOM 194 C GLU A 13 6.635 14.829 -16.462 1.00 74.52 C ATOM 195 O GLU A 13 6.765 14.185 -17.504 1.00 10.21 O ATOM 196 CB GLU A 13 4.456 16.059 -16.426 1.00 22.42 C ATOM 197 CG GLU A 13 3.723 17.372 -16.210 1.00 43.02 C ATOM 198 CD GLU A 13 2.237 17.180 -15.981 1.00 33.22 C ATOM 199 OE1 GLU A 13 1.567 16.617 -16.873 1.00 4.42 O ATOM 200 OE2 GLU A 13 1.743 17.591 -14.910 1.00 52.55 O ATOM 0 H GLU A 13 6.329 16.447 -18.524 1.00 22.33 H new ATOM 0 HA GLU A 13 6.310 16.751 -15.586 1.00 55.31 H new ATOM 0 HB2 GLU A 13 4.116 15.612 -17.360 1.00 22.42 H new ATOM 0 HB3 GLU A 13 4.189 15.368 -15.626 1.00 22.42 H new ATOM 0 HG2 GLU A 13 4.155 17.888 -15.353 1.00 43.02 H new ATOM 0 HG3 GLU A 13 3.873 18.014 -17.078 1.00 43.02 H new ATOM 207 N TYR A 14 7.046 14.383 -15.281 1.00 20.34 N ATOM 208 CA TYR A 14 7.691 13.083 -15.136 1.00 44.25 C ATOM 209 C TYR A 14 7.152 12.339 -13.919 1.00 1.24 C ATOM 210 O TYR A 14 7.271 12.809 -12.787 1.00 62.01 O ATOM 211 CB TYR A 14 9.207 13.254 -15.014 1.00 74.53 C ATOM 212 CG TYR A 14 9.839 13.928 -16.211 1.00 34.11 C ATOM 213 CD1 TYR A 14 9.713 15.298 -16.408 1.00 20.35 C ATOM 214 CD2 TYR A 14 10.560 13.196 -17.145 1.00 62.53 C ATOM 215 CE1 TYR A 14 10.288 15.918 -17.500 1.00 1.23 C ATOM 216 CE2 TYR A 14 11.140 13.808 -18.240 1.00 31.25 C ATOM 217 CZ TYR A 14 11.001 15.169 -18.413 1.00 11.15 C ATOM 218 OH TYR A 14 11.576 15.783 -19.502 1.00 74.50 O ATOM 0 H TYR A 14 6.944 14.903 -14.409 1.00 20.34 H new ATOM 0 HA TYR A 14 7.468 12.494 -16.026 1.00 44.25 H new ATOM 0 HB2 TYR A 14 9.427 13.838 -14.120 1.00 74.53 H new ATOM 0 HB3 TYR A 14 9.665 12.274 -14.876 1.00 74.53 H new ATOM 0 HD1 TYR A 14 9.156 15.888 -15.695 1.00 20.35 H new ATOM 0 HD2 TYR A 14 10.669 12.130 -17.013 1.00 62.53 H new ATOM 0 HE1 TYR A 14 10.180 16.984 -17.638 1.00 1.23 H new ATOM 0 HE2 TYR A 14 11.699 13.224 -18.956 1.00 31.25 H new ATOM 0 HH TYR A 14 12.043 15.115 -20.046 1.00 74.50 H new ATOM 228 N SER A 15 6.559 11.174 -14.160 1.00 12.42 N ATOM 229 CA SER A 15 5.998 10.365 -13.084 1.00 53.24 C ATOM 230 C SER A 15 7.075 9.500 -12.437 1.00 12.44 C ATOM 231 O SER A 15 7.853 8.839 -13.124 1.00 42.20 O ATOM 232 CB SER A 15 4.870 9.480 -13.619 1.00 0.14 C ATOM 233 OG SER A 15 5.157 9.024 -14.929 1.00 62.22 O ATOM 0 H SER A 15 6.455 10.769 -15.090 1.00 12.42 H new ATOM 0 HA SER A 15 5.595 11.039 -12.328 1.00 53.24 H new ATOM 0 HB2 SER A 15 4.728 8.626 -12.956 1.00 0.14 H new ATOM 0 HB3 SER A 15 3.935 10.040 -13.622 1.00 0.14 H new ATOM 0 HG SER A 15 4.422 8.459 -15.247 1.00 62.22 H new ATOM 239 N VAL A 16 7.113 9.511 -11.108 1.00 23.41 N ATOM 240 CA VAL A 16 8.093 8.727 -10.365 1.00 45.14 C ATOM 241 C VAL A 16 7.515 7.381 -9.944 1.00 23.04 C ATOM 242 O VAL A 16 6.461 7.316 -9.310 1.00 24.21 O ATOM 243 CB VAL A 16 8.581 9.479 -9.113 1.00 12.42 C ATOM 244 CG1 VAL A 16 9.540 8.614 -8.310 1.00 4.41 C ATOM 245 CG2 VAL A 16 9.236 10.796 -9.504 1.00 31.55 C ATOM 0 H VAL A 16 6.477 10.054 -10.524 1.00 23.41 H new ATOM 0 HA VAL A 16 8.939 8.563 -11.033 1.00 45.14 H new ATOM 0 HB VAL A 16 7.718 9.701 -8.485 1.00 12.42 H new ATOM 0 HG11 VAL A 16 9.874 9.162 -7.429 1.00 4.41 H new ATOM 0 HG12 VAL A 16 9.033 7.701 -7.998 1.00 4.41 H new ATOM 0 HG13 VAL A 16 10.402 8.358 -8.926 1.00 4.41 H new ATOM 0 HG21 VAL A 16 9.575 11.314 -8.607 1.00 31.55 H new ATOM 0 HG22 VAL A 16 10.089 10.599 -10.154 1.00 31.55 H new ATOM 0 HG23 VAL A 16 8.514 11.419 -10.032 1.00 31.55 H new ATOM 255 N THR A 17 8.212 6.306 -10.299 1.00 5.12 N ATOM 256 CA THR A 17 7.769 4.960 -9.958 1.00 52.41 C ATOM 257 C THR A 17 8.931 4.107 -9.462 1.00 13.51 C ATOM 258 O THR A 17 9.640 3.484 -10.253 1.00 10.42 O ATOM 259 CB THR A 17 7.113 4.263 -11.165 1.00 22.43 C ATOM 260 OG1 THR A 17 7.819 4.594 -12.366 1.00 2.45 O ATOM 261 CG2 THR A 17 5.654 4.671 -11.299 1.00 0.10 C ATOM 0 H THR A 17 9.086 6.342 -10.823 1.00 5.12 H new ATOM 0 HA THR A 17 7.032 5.062 -9.161 1.00 52.41 H new ATOM 0 HB THR A 17 7.159 3.186 -11.003 1.00 22.43 H new ATOM 0 HG1 THR A 17 8.771 4.389 -12.253 1.00 2.45 H new ATOM 0 HG21 THR A 17 5.212 4.166 -12.158 1.00 0.10 H new ATOM 0 HG22 THR A 17 5.113 4.390 -10.395 1.00 0.10 H new ATOM 0 HG23 THR A 17 5.589 5.750 -11.440 1.00 0.10 H new ATOM 269 N THR A 18 9.121 4.083 -8.146 1.00 62.53 N ATOM 270 CA THR A 18 10.198 3.306 -7.544 1.00 53.15 C ATOM 271 C THR A 18 10.297 3.573 -6.047 1.00 20.41 C ATOM 272 O THR A 18 10.725 2.710 -5.279 1.00 65.33 O ATOM 273 CB THR A 18 11.554 3.623 -8.202 1.00 22.11 C ATOM 274 OG1 THR A 18 12.622 3.138 -7.380 1.00 70.22 O ATOM 275 CG2 THR A 18 11.714 5.120 -8.418 1.00 41.23 C ATOM 0 H THR A 18 8.543 4.592 -7.477 1.00 62.53 H new ATOM 0 HA THR A 18 9.960 2.255 -7.708 1.00 53.15 H new ATOM 0 HB THR A 18 11.587 3.127 -9.172 1.00 22.11 H new ATOM 0 HG1 THR A 18 13.481 3.342 -7.806 1.00 70.22 H new ATOM 0 HG21 THR A 18 12.679 5.319 -8.884 1.00 41.23 H new ATOM 0 HG22 THR A 18 10.916 5.481 -9.067 1.00 41.23 H new ATOM 0 HG23 THR A 18 11.661 5.634 -7.458 1.00 41.23 H new ATOM 283 N LEU A 19 9.898 4.771 -5.636 1.00 42.45 N ATOM 284 CA LEU A 19 9.942 5.152 -4.229 1.00 35.33 C ATOM 285 C LEU A 19 8.674 4.707 -3.505 1.00 43.34 C ATOM 286 O LEU A 19 7.606 4.608 -4.108 1.00 53.43 O ATOM 287 CB LEU A 19 10.115 6.666 -4.094 1.00 70.52 C ATOM 288 CG LEU A 19 11.512 7.149 -3.702 1.00 34.11 C ATOM 289 CD1 LEU A 19 11.827 6.761 -2.266 1.00 30.33 C ATOM 290 CD2 LEU A 19 12.558 6.583 -4.651 1.00 51.22 C ATOM 0 H LEU A 19 9.540 5.496 -6.258 1.00 42.45 H new ATOM 0 HA LEU A 19 10.796 4.653 -3.770 1.00 35.33 H new ATOM 0 HB2 LEU A 19 9.845 7.129 -5.043 1.00 70.52 H new ATOM 0 HB3 LEU A 19 9.405 7.028 -3.350 1.00 70.52 H new ATOM 0 HG LEU A 19 11.534 8.236 -3.776 1.00 34.11 H new ATOM 0 HD11 LEU A 19 12.825 7.113 -2.005 1.00 30.33 H new ATOM 0 HD12 LEU A 19 11.095 7.215 -1.598 1.00 30.33 H new ATOM 0 HD13 LEU A 19 11.787 5.676 -2.165 1.00 30.33 H new ATOM 0 HD21 LEU A 19 13.546 6.937 -4.357 1.00 51.22 H new ATOM 0 HD22 LEU A 19 12.536 5.494 -4.609 1.00 51.22 H new ATOM 0 HD23 LEU A 19 12.343 6.912 -5.668 1.00 51.22 H new ATOM 302 N SER A 20 8.801 4.443 -2.209 1.00 70.50 N ATOM 303 CA SER A 20 7.666 4.007 -1.403 1.00 42.23 C ATOM 304 C SER A 20 7.572 4.819 -0.115 1.00 31.53 C ATOM 305 O SER A 20 8.487 5.566 0.229 1.00 62.43 O ATOM 306 CB SER A 20 7.789 2.518 -1.074 1.00 12.20 C ATOM 307 OG SER A 20 9.089 2.037 -1.367 1.00 30.53 O ATOM 0 H SER A 20 9.678 4.523 -1.694 1.00 70.50 H new ATOM 0 HA SER A 20 6.757 4.169 -1.981 1.00 42.23 H new ATOM 0 HB2 SER A 20 7.567 2.356 -0.019 1.00 12.20 H new ATOM 0 HB3 SER A 20 7.052 1.954 -1.645 1.00 12.20 H new ATOM 0 HG SER A 20 9.754 2.591 -0.907 1.00 30.53 H new ATOM 313 N GLU A 21 6.457 4.665 0.594 1.00 65.12 N ATOM 314 CA GLU A 21 6.243 5.384 1.844 1.00 33.21 C ATOM 315 C GLU A 21 7.300 5.006 2.878 1.00 70.15 C ATOM 316 O GLU A 21 7.558 5.755 3.820 1.00 72.10 O ATOM 317 CB GLU A 21 4.846 5.088 2.395 1.00 23.31 C ATOM 318 CG GLU A 21 3.748 5.177 1.349 1.00 13.13 C ATOM 319 CD GLU A 21 2.359 5.086 1.952 1.00 24.33 C ATOM 320 OE1 GLU A 21 2.259 4.888 3.181 1.00 0.15 O ATOM 321 OE2 GLU A 21 1.374 5.211 1.196 1.00 51.40 O ATOM 0 H GLU A 21 5.690 4.050 0.324 1.00 65.12 H new ATOM 0 HA GLU A 21 6.327 6.451 1.638 1.00 33.21 H new ATOM 0 HB2 GLU A 21 4.841 4.089 2.831 1.00 23.31 H new ATOM 0 HB3 GLU A 21 4.626 5.789 3.201 1.00 23.31 H new ATOM 0 HG2 GLU A 21 3.844 6.118 0.806 1.00 13.13 H new ATOM 0 HG3 GLU A 21 3.878 4.375 0.622 1.00 13.13 H new ATOM 328 N ASP A 22 7.908 3.839 2.694 1.00 51.15 N ATOM 329 CA ASP A 22 8.938 3.361 3.609 1.00 74.23 C ATOM 330 C ASP A 22 10.211 4.190 3.475 1.00 21.20 C ATOM 331 O ASP A 22 11.127 4.075 4.290 1.00 71.32 O ATOM 332 CB ASP A 22 9.243 1.886 3.340 1.00 4.44 C ATOM 333 CG ASP A 22 9.994 1.233 4.484 1.00 11.34 C ATOM 334 OD1 ASP A 22 11.238 1.333 4.511 1.00 42.40 O ATOM 335 OD2 ASP A 22 9.337 0.621 5.353 1.00 51.32 O ATOM 0 H ASP A 22 7.705 3.207 1.920 1.00 51.15 H new ATOM 0 HA ASP A 22 8.564 3.467 4.627 1.00 74.23 H new ATOM 0 HB2 ASP A 22 8.309 1.350 3.169 1.00 4.44 H new ATOM 0 HB3 ASP A 22 9.832 1.800 2.427 1.00 4.44 H new ATOM 340 N ASP A 23 10.262 5.024 2.442 1.00 23.33 N ATOM 341 CA ASP A 23 11.424 5.872 2.202 1.00 54.35 C ATOM 342 C ASP A 23 11.179 7.287 2.717 1.00 52.24 C ATOM 343 O ASP A 23 10.433 7.491 3.675 1.00 75.02 O ATOM 344 CB ASP A 23 11.754 5.910 0.709 1.00 71.34 C ATOM 345 CG ASP A 23 11.686 4.538 0.066 1.00 12.21 C ATOM 346 OD1 ASP A 23 10.562 4.026 -0.121 1.00 45.43 O ATOM 347 OD2 ASP A 23 12.756 3.976 -0.248 1.00 40.14 O ATOM 0 H ASP A 23 9.513 5.131 1.758 1.00 23.33 H new ATOM 0 HA ASP A 23 12.270 5.449 2.743 1.00 54.35 H new ATOM 0 HB2 ASP A 23 11.059 6.580 0.203 1.00 71.34 H new ATOM 0 HB3 ASP A 23 12.753 6.324 0.571 1.00 71.34 H new ATOM 352 N THR A 24 11.813 8.263 2.075 1.00 45.43 N ATOM 353 CA THR A 24 11.667 9.659 2.469 1.00 71.22 C ATOM 354 C THR A 24 11.440 10.552 1.255 1.00 53.04 C ATOM 355 O THR A 24 11.605 10.120 0.114 1.00 60.03 O ATOM 356 CB THR A 24 12.906 10.159 3.235 1.00 14.25 C ATOM 357 OG1 THR A 24 14.017 9.290 2.992 1.00 71.42 O ATOM 358 CG2 THR A 24 12.626 10.227 4.729 1.00 5.23 C ATOM 0 H THR A 24 12.433 8.112 1.279 1.00 45.43 H new ATOM 0 HA THR A 24 10.798 9.713 3.124 1.00 71.22 H new ATOM 0 HB THR A 24 13.146 11.161 2.879 1.00 14.25 H new ATOM 0 HG1 THR A 24 14.801 9.616 3.481 1.00 71.42 H new ATOM 0 HG21 THR A 24 13.515 10.583 5.250 1.00 5.23 H new ATOM 0 HG22 THR A 24 11.799 10.912 4.913 1.00 5.23 H new ATOM 0 HG23 THR A 24 12.363 9.235 5.095 1.00 5.23 H new ATOM 366 N VAL A 25 11.060 11.801 1.507 1.00 64.20 N ATOM 367 CA VAL A 25 10.812 12.756 0.434 1.00 43.21 C ATOM 368 C VAL A 25 12.091 13.057 -0.341 1.00 34.14 C ATOM 369 O VAL A 25 12.083 13.124 -1.571 1.00 24.55 O ATOM 370 CB VAL A 25 10.233 14.075 0.979 1.00 2.13 C ATOM 371 CG1 VAL A 25 9.725 14.947 -0.159 1.00 62.41 C ATOM 372 CG2 VAL A 25 9.125 13.795 1.983 1.00 52.11 C ATOM 0 H VAL A 25 10.917 12.175 2.445 1.00 64.20 H new ATOM 0 HA VAL A 25 10.084 12.297 -0.235 1.00 43.21 H new ATOM 0 HB VAL A 25 11.028 14.616 1.491 1.00 2.13 H new ATOM 0 HG11 VAL A 25 9.320 15.874 0.246 1.00 62.41 H new ATOM 0 HG12 VAL A 25 10.547 15.176 -0.837 1.00 62.41 H new ATOM 0 HG13 VAL A 25 8.943 14.417 -0.703 1.00 62.41 H new ATOM 0 HG21 VAL A 25 8.727 14.738 2.358 1.00 52.11 H new ATOM 0 HG22 VAL A 25 8.328 13.232 1.497 1.00 52.11 H new ATOM 0 HG23 VAL A 25 9.525 13.214 2.814 1.00 52.11 H new ATOM 382 N LEU A 26 13.188 13.237 0.387 1.00 55.44 N ATOM 383 CA LEU A 26 14.476 13.531 -0.232 1.00 32.22 C ATOM 384 C LEU A 26 14.909 12.395 -1.153 1.00 73.02 C ATOM 385 O LEU A 26 15.627 12.613 -2.129 1.00 1.31 O ATOM 386 CB LEU A 26 15.539 13.764 0.843 1.00 34.13 C ATOM 387 CG LEU A 26 16.429 12.566 1.178 1.00 15.41 C ATOM 388 CD1 LEU A 26 17.641 12.530 0.261 1.00 24.14 C ATOM 389 CD2 LEU A 26 16.861 12.615 2.636 1.00 21.53 C ATOM 0 H LEU A 26 13.211 13.185 1.405 1.00 55.44 H new ATOM 0 HA LEU A 26 14.367 14.437 -0.829 1.00 32.22 H new ATOM 0 HB2 LEU A 26 16.178 14.587 0.522 1.00 34.13 H new ATOM 0 HB3 LEU A 26 15.039 14.086 1.756 1.00 34.13 H new ATOM 0 HG LEU A 26 15.854 11.654 1.021 1.00 15.41 H new ATOM 0 HD11 LEU A 26 18.263 11.671 0.514 1.00 24.14 H new ATOM 0 HD12 LEU A 26 17.311 12.447 -0.775 1.00 24.14 H new ATOM 0 HD13 LEU A 26 18.219 13.446 0.386 1.00 24.14 H new ATOM 0 HD21 LEU A 26 17.494 11.755 2.857 1.00 21.53 H new ATOM 0 HD22 LEU A 26 17.419 13.533 2.819 1.00 21.53 H new ATOM 0 HD23 LEU A 26 15.980 12.592 3.277 1.00 21.53 H new ATOM 401 N ASP A 27 14.465 11.183 -0.838 1.00 43.02 N ATOM 402 CA ASP A 27 14.804 10.013 -1.640 1.00 21.34 C ATOM 403 C ASP A 27 14.088 10.051 -2.986 1.00 63.52 C ATOM 404 O ASP A 27 14.632 9.616 -4.003 1.00 34.44 O ATOM 405 CB ASP A 27 14.438 8.731 -0.889 1.00 41.14 C ATOM 406 CG ASP A 27 15.208 7.526 -1.393 1.00 33.23 C ATOM 407 OD1 ASP A 27 15.831 7.628 -2.470 1.00 21.13 O ATOM 408 OD2 ASP A 27 15.186 6.480 -0.710 1.00 73.12 O ATOM 0 H ASP A 27 13.870 10.985 -0.034 1.00 43.02 H new ATOM 0 HA ASP A 27 15.879 10.025 -1.821 1.00 21.34 H new ATOM 0 HB2 ASP A 27 14.636 8.867 0.174 1.00 41.14 H new ATOM 0 HB3 ASP A 27 13.369 8.545 -0.993 1.00 41.14 H new ATOM 413 N LEU A 28 12.867 10.572 -2.986 1.00 75.15 N ATOM 414 CA LEU A 28 12.075 10.666 -4.208 1.00 70.23 C ATOM 415 C LEU A 28 12.495 11.875 -5.037 1.00 53.44 C ATOM 416 O LEU A 28 12.709 11.770 -6.245 1.00 70.12 O ATOM 417 CB LEU A 28 10.586 10.757 -3.869 1.00 42.51 C ATOM 418 CG LEU A 28 9.619 10.313 -4.967 1.00 21.22 C ATOM 419 CD1 LEU A 28 8.528 9.424 -4.389 1.00 43.24 C ATOM 420 CD2 LEU A 28 9.012 11.521 -5.664 1.00 53.31 C ATOM 0 H LEU A 28 12.403 10.936 -2.154 1.00 75.15 H new ATOM 0 HA LEU A 28 12.252 9.766 -4.797 1.00 70.23 H new ATOM 0 HB2 LEU A 28 10.398 10.153 -2.981 1.00 42.51 H new ATOM 0 HB3 LEU A 28 10.356 11.790 -3.606 1.00 42.51 H new ATOM 0 HG LEU A 28 10.177 9.736 -5.705 1.00 21.22 H new ATOM 0 HD11 LEU A 28 7.849 9.117 -5.185 1.00 43.24 H new ATOM 0 HD12 LEU A 28 8.980 8.541 -3.937 1.00 43.24 H new ATOM 0 HD13 LEU A 28 7.973 9.976 -3.631 1.00 43.24 H new ATOM 0 HD21 LEU A 28 8.327 11.186 -6.442 1.00 53.31 H new ATOM 0 HD22 LEU A 28 8.469 12.125 -4.938 1.00 53.31 H new ATOM 0 HD23 LEU A 28 9.805 12.119 -6.112 1.00 53.31 H new ATOM 432 N LYS A 29 12.613 13.024 -4.381 1.00 15.35 N ATOM 433 CA LYS A 29 13.010 14.254 -5.055 1.00 3.42 C ATOM 434 C LYS A 29 14.409 14.121 -5.649 1.00 52.32 C ATOM 435 O LYS A 29 14.602 14.306 -6.850 1.00 52.34 O ATOM 436 CB LYS A 29 12.970 15.432 -4.078 1.00 73.20 C ATOM 437 CG LYS A 29 11.672 16.220 -4.129 1.00 45.34 C ATOM 438 CD LYS A 29 10.665 15.702 -3.117 1.00 55.23 C ATOM 439 CE LYS A 29 9.718 14.688 -3.742 1.00 3.32 C ATOM 440 NZ LYS A 29 8.329 15.215 -3.843 1.00 41.00 N ATOM 0 H LYS A 29 12.439 13.129 -3.381 1.00 15.35 H new ATOM 0 HA LYS A 29 12.305 14.438 -5.866 1.00 3.42 H new ATOM 0 HB2 LYS A 29 13.119 15.058 -3.065 1.00 73.20 H new ATOM 0 HB3 LYS A 29 13.801 16.102 -4.296 1.00 73.20 H new ATOM 0 HG2 LYS A 29 11.877 17.273 -3.934 1.00 45.34 H new ATOM 0 HG3 LYS A 29 11.247 16.158 -5.131 1.00 45.34 H new ATOM 0 HD2 LYS A 29 11.192 15.242 -2.281 1.00 55.23 H new ATOM 0 HD3 LYS A 29 10.092 16.536 -2.713 1.00 55.23 H new ATOM 0 HE2 LYS A 29 10.078 14.419 -4.735 1.00 3.32 H new ATOM 0 HE3 LYS A 29 9.718 13.776 -3.146 1.00 3.32 H new ATOM 0 HZ1 LYS A 29 7.796 14.658 -4.541 1.00 41.00 H new ATOM 0 HZ2 LYS A 29 7.863 15.145 -2.916 1.00 41.00 H new ATOM 0 HZ3 LYS A 29 8.356 16.211 -4.143 1.00 41.00 H new ATOM 454 N GLN A 30 15.379 13.798 -4.800 1.00 43.35 N ATOM 455 CA GLN A 30 16.759 13.640 -5.243 1.00 64.15 C ATOM 456 C GLN A 30 16.864 12.571 -6.326 1.00 43.13 C ATOM 457 O GLN A 30 17.817 12.554 -7.106 1.00 54.44 O ATOM 458 CB GLN A 30 17.658 13.275 -4.061 1.00 21.52 C ATOM 459 CG GLN A 30 17.745 11.779 -3.802 1.00 42.02 C ATOM 460 CD GLN A 30 18.928 11.134 -4.497 1.00 41.53 C ATOM 461 OE1 GLN A 30 19.941 11.785 -4.755 1.00 25.11 O ATOM 462 NE2 GLN A 30 18.806 9.849 -4.805 1.00 74.42 N ATOM 0 H GLN A 30 15.235 13.641 -3.803 1.00 43.35 H new ATOM 0 HA GLN A 30 17.090 14.590 -5.662 1.00 64.15 H new ATOM 0 HB2 GLN A 30 18.660 13.663 -4.244 1.00 21.52 H new ATOM 0 HB3 GLN A 30 17.284 13.769 -3.164 1.00 21.52 H new ATOM 0 HG2 GLN A 30 17.819 11.604 -2.729 1.00 42.02 H new ATOM 0 HG3 GLN A 30 16.825 11.302 -4.140 1.00 42.02 H new ATOM 0 HE21 GLN A 30 17.948 9.348 -4.572 1.00 74.42 H new ATOM 0 HE22 GLN A 30 19.570 9.362 -5.274 1.00 74.42 H new ATOM 471 N PHE A 31 15.880 11.680 -6.368 1.00 74.32 N ATOM 472 CA PHE A 31 15.862 10.606 -7.355 1.00 32.02 C ATOM 473 C PHE A 31 15.418 11.128 -8.718 1.00 74.43 C ATOM 474 O PHE A 31 16.116 10.957 -9.719 1.00 34.43 O ATOM 475 CB PHE A 31 14.931 9.481 -6.899 1.00 33.24 C ATOM 476 CG PHE A 31 14.650 8.464 -7.968 1.00 3.11 C ATOM 477 CD1 PHE A 31 15.517 7.404 -8.179 1.00 3.01 C ATOM 478 CD2 PHE A 31 13.519 8.568 -8.762 1.00 25.12 C ATOM 479 CE1 PHE A 31 15.262 6.468 -9.163 1.00 31.42 C ATOM 480 CE2 PHE A 31 13.259 7.634 -9.747 1.00 54.20 C ATOM 481 CZ PHE A 31 14.131 6.582 -9.947 1.00 14.10 C ATOM 0 H PHE A 31 15.084 11.680 -5.730 1.00 74.32 H new ATOM 0 HA PHE A 31 16.875 10.214 -7.448 1.00 32.02 H new ATOM 0 HB2 PHE A 31 15.375 8.979 -6.039 1.00 33.24 H new ATOM 0 HB3 PHE A 31 13.988 9.914 -6.564 1.00 33.24 H new ATOM 0 HD1 PHE A 31 16.402 7.308 -7.568 1.00 3.01 H new ATOM 0 HD2 PHE A 31 12.833 9.388 -8.609 1.00 25.12 H new ATOM 0 HE1 PHE A 31 15.947 5.648 -9.319 1.00 31.42 H new ATOM 0 HE2 PHE A 31 12.375 7.727 -10.360 1.00 54.20 H new ATOM 0 HZ PHE A 31 13.929 5.850 -10.715 1.00 14.10 H new ATOM 491 N LEU A 32 14.252 11.764 -8.750 1.00 71.23 N ATOM 492 CA LEU A 32 13.713 12.311 -9.991 1.00 33.34 C ATOM 493 C LEU A 32 14.554 13.486 -10.478 1.00 53.05 C ATOM 494 O LEU A 32 14.848 13.601 -11.668 1.00 41.44 O ATOM 495 CB LEU A 32 12.263 12.756 -9.787 1.00 63.42 C ATOM 496 CG LEU A 32 12.002 13.661 -8.583 1.00 51.21 C ATOM 497 CD1 LEU A 32 12.056 15.124 -8.994 1.00 0.41 C ATOM 498 CD2 LEU A 32 10.658 13.332 -7.950 1.00 54.34 C ATOM 0 H LEU A 32 13.662 11.914 -7.932 1.00 71.23 H new ATOM 0 HA LEU A 32 13.743 11.528 -10.749 1.00 33.34 H new ATOM 0 HB2 LEU A 32 11.934 13.277 -10.686 1.00 63.42 H new ATOM 0 HB3 LEU A 32 11.641 11.866 -9.689 1.00 63.42 H new ATOM 0 HG LEU A 32 12.782 13.484 -7.843 1.00 51.21 H new ATOM 0 HD11 LEU A 32 11.868 15.753 -8.124 1.00 0.41 H new ATOM 0 HD12 LEU A 32 13.041 15.352 -9.400 1.00 0.41 H new ATOM 0 HD13 LEU A 32 11.297 15.317 -9.752 1.00 0.41 H new ATOM 0 HD21 LEU A 32 10.489 13.986 -7.094 1.00 54.34 H new ATOM 0 HD22 LEU A 32 9.865 13.480 -8.683 1.00 54.34 H new ATOM 0 HD23 LEU A 32 10.656 12.294 -7.619 1.00 54.34 H new ATOM 510 N LYS A 33 14.940 14.356 -9.551 1.00 74.12 N ATOM 511 CA LYS A 33 15.750 15.521 -9.885 1.00 2.13 C ATOM 512 C LYS A 33 17.025 15.107 -10.613 1.00 73.12 C ATOM 513 O LYS A 33 17.584 15.877 -11.395 1.00 21.21 O ATOM 514 CB LYS A 33 16.105 16.301 -8.617 1.00 23.24 C ATOM 515 CG LYS A 33 17.585 16.620 -8.493 1.00 41.03 C ATOM 516 CD LYS A 33 18.367 15.437 -7.948 1.00 63.23 C ATOM 517 CE LYS A 33 19.733 15.319 -8.608 1.00 54.54 C ATOM 518 NZ LYS A 33 20.800 15.960 -7.792 1.00 4.02 N ATOM 0 H LYS A 33 14.705 14.276 -8.562 1.00 74.12 H new ATOM 0 HA LYS A 33 15.166 16.161 -10.547 1.00 2.13 H new ATOM 0 HB2 LYS A 33 15.539 17.232 -8.603 1.00 23.24 H new ATOM 0 HB3 LYS A 33 15.792 15.725 -7.746 1.00 23.24 H new ATOM 0 HG2 LYS A 33 17.981 16.900 -9.469 1.00 41.03 H new ATOM 0 HG3 LYS A 33 17.719 17.479 -7.836 1.00 41.03 H new ATOM 0 HD2 LYS A 33 18.491 15.547 -6.871 1.00 63.23 H new ATOM 0 HD3 LYS A 33 17.802 14.519 -8.112 1.00 63.23 H new ATOM 0 HE2 LYS A 33 19.974 14.267 -8.759 1.00 54.54 H new ATOM 0 HE3 LYS A 33 19.701 15.783 -9.594 1.00 54.54 H new ATOM 0 HZ1 LYS A 33 21.558 16.301 -8.417 1.00 4.02 H new ATOM 0 HZ2 LYS A 33 20.399 16.762 -7.265 1.00 4.02 H new ATOM 0 HZ3 LYS A 33 21.190 15.266 -7.123 1.00 4.02 H new ATOM 532 N THR A 34 17.479 13.885 -10.353 1.00 62.22 N ATOM 533 CA THR A 34 18.687 13.368 -10.984 1.00 41.31 C ATOM 534 C THR A 34 18.402 12.880 -12.400 1.00 4.50 C ATOM 535 O THR A 34 19.302 12.820 -13.240 1.00 13.14 O ATOM 536 CB THR A 34 19.297 12.213 -10.168 1.00 61.02 C ATOM 537 OG1 THR A 34 20.720 12.361 -10.097 1.00 14.21 O ATOM 538 CG2 THR A 34 18.953 10.869 -10.792 1.00 53.02 C ATOM 0 H THR A 34 17.028 13.235 -9.709 1.00 62.22 H new ATOM 0 HA THR A 34 19.400 14.191 -11.023 1.00 41.31 H new ATOM 0 HB THR A 34 18.878 12.247 -9.162 1.00 61.02 H new ATOM 0 HG1 THR A 34 21.100 11.624 -9.575 1.00 14.21 H new ATOM 0 HG21 THR A 34 19.395 10.069 -10.198 1.00 53.02 H new ATOM 0 HG22 THR A 34 17.870 10.746 -10.818 1.00 53.02 H new ATOM 0 HG23 THR A 34 19.347 10.828 -11.807 1.00 53.02 H new ATOM 546 N LEU A 35 17.147 12.534 -12.660 1.00 34.32 N ATOM 547 CA LEU A 35 16.743 12.051 -13.976 1.00 13.40 C ATOM 548 C LEU A 35 16.624 13.206 -14.966 1.00 72.40 C ATOM 549 O LEU A 35 17.317 13.240 -15.983 1.00 70.04 O ATOM 550 CB LEU A 35 15.410 11.306 -13.881 1.00 41.51 C ATOM 551 CG LEU A 35 15.241 10.385 -12.673 1.00 32.13 C ATOM 552 CD1 LEU A 35 13.858 9.751 -12.674 1.00 44.12 C ATOM 553 CD2 LEU A 35 16.321 9.313 -12.664 1.00 10.11 C ATOM 0 H LEU A 35 16.391 12.579 -11.977 1.00 34.32 H new ATOM 0 HA LEU A 35 17.510 11.365 -14.336 1.00 13.40 H new ATOM 0 HB2 LEU A 35 14.606 12.042 -13.867 1.00 41.51 H new ATOM 0 HB3 LEU A 35 15.283 10.712 -14.786 1.00 41.51 H new ATOM 0 HG LEU A 35 15.343 10.983 -11.768 1.00 32.13 H new ATOM 0 HD11 LEU A 35 13.756 9.099 -11.807 1.00 44.12 H new ATOM 0 HD12 LEU A 35 13.099 10.533 -12.631 1.00 44.12 H new ATOM 0 HD13 LEU A 35 13.726 9.167 -13.585 1.00 44.12 H new ATOM 0 HD21 LEU A 35 16.185 8.667 -11.797 1.00 10.11 H new ATOM 0 HD22 LEU A 35 16.251 8.718 -13.575 1.00 10.11 H new ATOM 0 HD23 LEU A 35 17.302 9.785 -12.614 1.00 10.11 H new ATOM 565 N THR A 36 15.741 14.152 -14.661 1.00 4.03 N ATOM 566 CA THR A 36 15.532 15.309 -15.522 1.00 61.43 C ATOM 567 C THR A 36 15.459 16.595 -14.708 1.00 1.12 C ATOM 568 O THR A 36 15.786 17.673 -15.202 1.00 14.42 O ATOM 569 CB THR A 36 14.242 15.165 -16.351 1.00 52.43 C ATOM 570 OG1 THR A 36 13.964 16.389 -17.041 1.00 44.22 O ATOM 571 CG2 THR A 36 13.064 14.801 -15.460 1.00 52.44 C ATOM 0 H THR A 36 15.159 14.139 -13.823 1.00 4.03 H new ATOM 0 HA THR A 36 16.386 15.359 -16.197 1.00 61.43 H new ATOM 0 HB THR A 36 14.390 14.365 -17.076 1.00 52.43 H new ATOM 0 HG1 THR A 36 13.043 16.374 -17.376 1.00 44.22 H new ATOM 0 HG21 THR A 36 12.164 14.705 -16.068 1.00 52.44 H new ATOM 0 HG22 THR A 36 13.266 13.855 -14.958 1.00 52.44 H new ATOM 0 HG23 THR A 36 12.916 15.582 -14.715 1.00 52.44 H new ATOM 579 N GLY A 37 15.029 16.474 -13.455 1.00 70.25 N ATOM 580 CA GLY A 37 14.922 17.635 -12.592 1.00 53.42 C ATOM 581 C GLY A 37 16.265 18.285 -12.324 1.00 70.42 C ATOM 582 O GLY A 37 17.291 17.842 -12.842 1.00 12.53 O ATOM 0 H GLY A 37 14.753 15.592 -13.023 1.00 70.25 H new ATOM 0 HA2 GLY A 37 14.254 18.364 -13.051 1.00 53.42 H new ATOM 0 HA3 GLY A 37 14.470 17.340 -11.645 1.00 53.42 H new ATOM 586 N VAL A 38 16.260 19.338 -11.514 1.00 1.40 N ATOM 587 CA VAL A 38 17.487 20.051 -11.179 1.00 24.55 C ATOM 588 C VAL A 38 17.838 19.877 -9.705 1.00 63.21 C ATOM 589 O VAL A 38 16.964 19.916 -8.838 1.00 71.34 O ATOM 590 CB VAL A 38 17.368 21.554 -11.493 1.00 31.43 C ATOM 591 CG1 VAL A 38 15.993 22.073 -11.102 1.00 10.44 C ATOM 592 CG2 VAL A 38 18.464 22.335 -10.783 1.00 71.53 C ATOM 0 H VAL A 38 15.420 19.717 -11.077 1.00 1.40 H new ATOM 0 HA VAL A 38 18.279 19.622 -11.792 1.00 24.55 H new ATOM 0 HB VAL A 38 17.491 21.695 -12.567 1.00 31.43 H new ATOM 0 HG11 VAL A 38 15.927 23.137 -11.331 1.00 10.44 H new ATOM 0 HG12 VAL A 38 15.228 21.533 -11.660 1.00 10.44 H new ATOM 0 HG13 VAL A 38 15.837 21.921 -10.034 1.00 10.44 H new ATOM 0 HG21 VAL A 38 18.365 23.395 -11.016 1.00 71.53 H new ATOM 0 HG22 VAL A 38 18.375 22.190 -9.706 1.00 71.53 H new ATOM 0 HG23 VAL A 38 19.439 21.980 -11.117 1.00 71.53 H new ATOM 602 N LEU A 39 19.123 19.685 -9.427 1.00 42.44 N ATOM 603 CA LEU A 39 19.591 19.506 -8.057 1.00 44.14 C ATOM 604 C LEU A 39 19.140 20.663 -7.172 1.00 33.02 C ATOM 605 O LEU A 39 18.961 21.793 -7.627 1.00 62.23 O ATOM 606 CB LEU A 39 21.117 19.393 -8.030 1.00 34.24 C ATOM 607 CG LEU A 39 21.872 20.247 -9.049 1.00 32.33 C ATOM 608 CD1 LEU A 39 21.856 19.584 -10.417 1.00 75.42 C ATOM 609 CD2 LEU A 39 21.272 21.643 -9.123 1.00 52.25 C ATOM 0 H LEU A 39 19.859 19.649 -10.132 1.00 42.44 H new ATOM 0 HA LEU A 39 19.157 18.585 -7.668 1.00 44.14 H new ATOM 0 HB2 LEU A 39 21.464 19.663 -7.032 1.00 34.24 H new ATOM 0 HB3 LEU A 39 21.387 18.349 -8.190 1.00 34.24 H new ATOM 0 HG LEU A 39 22.909 20.336 -8.724 1.00 32.33 H new ATOM 0 HD11 LEU A 39 22.398 20.206 -11.129 1.00 75.42 H new ATOM 0 HD12 LEU A 39 22.333 18.606 -10.353 1.00 75.42 H new ATOM 0 HD13 LEU A 39 20.825 19.464 -10.751 1.00 75.42 H new ATOM 0 HD21 LEU A 39 21.822 22.237 -9.853 1.00 52.25 H new ATOM 0 HD22 LEU A 39 20.227 21.574 -9.424 1.00 52.25 H new ATOM 0 HD23 LEU A 39 21.337 22.119 -8.145 1.00 52.25 H new ATOM 621 N PRO A 40 18.952 20.377 -5.875 1.00 1.32 N ATOM 622 CA PRO A 40 18.522 21.381 -4.897 1.00 52.43 C ATOM 623 C PRO A 40 19.605 22.416 -4.614 1.00 25.04 C ATOM 624 O PRO A 40 19.317 23.519 -4.151 1.00 53.00 O ATOM 625 CB PRO A 40 18.231 20.554 -3.643 1.00 23.31 C ATOM 626 CG PRO A 40 19.078 19.337 -3.788 1.00 23.35 C ATOM 627 CD PRO A 40 19.146 19.052 -5.263 1.00 1.25 C ATOM 0 HA PRO A 40 17.667 21.956 -5.253 1.00 52.43 H new ATOM 0 HB2 PRO A 40 18.483 21.106 -2.737 1.00 23.31 H new ATOM 0 HB3 PRO A 40 17.174 20.295 -3.576 1.00 23.31 H new ATOM 0 HG2 PRO A 40 20.074 19.503 -3.377 1.00 23.35 H new ATOM 0 HG3 PRO A 40 18.646 18.495 -3.247 1.00 23.35 H new ATOM 0 HD2 PRO A 40 20.104 18.616 -5.544 1.00 1.25 H new ATOM 0 HD3 PRO A 40 18.373 18.349 -5.573 1.00 1.25 H new ATOM 635 N GLU A 41 20.853 22.052 -4.894 1.00 51.05 N ATOM 636 CA GLU A 41 21.979 22.950 -4.668 1.00 42.14 C ATOM 637 C GLU A 41 21.760 24.285 -5.374 1.00 4.40 C ATOM 638 O GLU A 41 22.097 25.343 -4.841 1.00 53.25 O ATOM 639 CB GLU A 41 23.278 22.308 -5.159 1.00 45.25 C ATOM 640 CG GLU A 41 24.490 23.216 -5.037 1.00 4.52 C ATOM 641 CD GLU A 41 25.761 22.454 -4.715 1.00 32.21 C ATOM 642 OE1 GLU A 41 25.795 21.229 -4.959 1.00 11.41 O ATOM 643 OE2 GLU A 41 26.720 23.080 -4.219 1.00 43.51 O ATOM 0 H GLU A 41 21.109 21.142 -5.277 1.00 51.05 H new ATOM 0 HA GLU A 41 22.055 23.134 -3.596 1.00 42.14 H new ATOM 0 HB2 GLU A 41 23.460 21.396 -4.591 1.00 45.25 H new ATOM 0 HB3 GLU A 41 23.157 22.016 -6.202 1.00 45.25 H new ATOM 0 HG2 GLU A 41 24.625 23.762 -5.970 1.00 4.52 H new ATOM 0 HG3 GLU A 41 24.308 23.956 -4.258 1.00 4.52 H new ATOM 650 N ARG A 42 21.195 24.227 -6.575 1.00 44.55 N ATOM 651 CA ARG A 42 20.933 25.431 -7.355 1.00 42.13 C ATOM 652 C ARG A 42 19.451 25.792 -7.316 1.00 61.15 C ATOM 653 O ARG A 42 19.091 26.964 -7.211 1.00 20.13 O ATOM 654 CB ARG A 42 21.383 25.234 -8.804 1.00 63.10 C ATOM 655 CG ARG A 42 22.843 25.586 -9.042 1.00 14.23 C ATOM 656 CD ARG A 42 23.550 24.511 -9.852 1.00 4.24 C ATOM 657 NE ARG A 42 24.416 23.680 -9.020 1.00 5.34 N ATOM 658 CZ ARG A 42 25.577 24.095 -8.523 1.00 54.10 C ATOM 659 NH1 ARG A 42 26.007 25.324 -8.773 1.00 20.00 N ATOM 660 NH2 ARG A 42 26.309 23.280 -7.774 1.00 54.12 N ATOM 0 H ARG A 42 20.910 23.360 -7.029 1.00 44.55 H new ATOM 0 HA ARG A 42 21.501 26.250 -6.914 1.00 42.13 H new ATOM 0 HB2 ARG A 42 21.218 24.195 -9.089 1.00 63.10 H new ATOM 0 HB3 ARG A 42 20.760 25.846 -9.456 1.00 63.10 H new ATOM 0 HG2 ARG A 42 22.908 26.540 -9.566 1.00 14.23 H new ATOM 0 HG3 ARG A 42 23.348 25.713 -8.085 1.00 14.23 H new ATOM 0 HD2 ARG A 42 22.809 23.882 -10.345 1.00 4.24 H new ATOM 0 HD3 ARG A 42 24.143 24.980 -10.637 1.00 4.24 H new ATOM 0 HE ARG A 42 24.113 22.729 -8.809 1.00 5.34 H new ATOM 0 HH11 ARG A 42 25.447 25.953 -9.348 1.00 20.00 H new ATOM 0 HH12 ARG A 42 26.898 25.640 -8.391 1.00 20.00 H new ATOM 0 HH21 ARG A 42 25.981 22.334 -7.579 1.00 54.12 H new ATOM 0 HH22 ARG A 42 27.200 23.600 -7.393 1.00 54.12 H new ATOM 674 N GLN A 43 18.598 24.777 -7.403 1.00 73.44 N ATOM 675 CA GLN A 43 17.155 24.988 -7.379 1.00 62.34 C ATOM 676 C GLN A 43 16.593 24.750 -5.982 1.00 23.14 C ATOM 677 O GLN A 43 17.206 24.064 -5.163 1.00 32.10 O ATOM 678 CB GLN A 43 16.466 24.062 -8.383 1.00 62.33 C ATOM 679 CG GLN A 43 16.112 22.699 -7.810 1.00 65.23 C ATOM 680 CD GLN A 43 14.769 22.692 -7.108 1.00 21.12 C ATOM 681 OE1 GLN A 43 13.965 23.610 -7.272 1.00 30.20 O ATOM 682 NE2 GLN A 43 14.518 21.653 -6.319 1.00 45.23 N ATOM 0 H GLN A 43 18.880 23.801 -7.491 1.00 73.44 H new ATOM 0 HA GLN A 43 16.960 26.024 -7.657 1.00 62.34 H new ATOM 0 HB2 GLN A 43 15.557 24.543 -8.743 1.00 62.33 H new ATOM 0 HB3 GLN A 43 17.118 23.926 -9.246 1.00 62.33 H new ATOM 0 HG2 GLN A 43 16.101 21.963 -8.614 1.00 65.23 H new ATOM 0 HG3 GLN A 43 16.887 22.392 -7.107 1.00 65.23 H new ATOM 0 HE21 GLN A 43 15.213 20.914 -6.212 1.00 45.23 H new ATOM 0 HE22 GLN A 43 13.630 21.594 -5.820 1.00 45.23 H new ATOM 691 N LYS A 44 15.424 25.321 -5.714 1.00 40.43 N ATOM 692 CA LYS A 44 14.778 25.172 -4.416 1.00 32.32 C ATOM 693 C LYS A 44 13.334 24.707 -4.577 1.00 52.41 C ATOM 694 O LYS A 44 12.632 25.135 -5.495 1.00 2.12 O ATOM 695 CB LYS A 44 14.816 26.495 -3.648 1.00 44.02 C ATOM 696 CG LYS A 44 14.120 27.637 -4.369 1.00 24.33 C ATOM 697 CD LYS A 44 12.638 27.684 -4.038 1.00 60.51 C ATOM 698 CE LYS A 44 12.184 29.098 -3.714 1.00 12.42 C ATOM 699 NZ LYS A 44 11.890 29.883 -4.945 1.00 73.51 N ATOM 0 H LYS A 44 14.904 25.892 -6.380 1.00 40.43 H new ATOM 0 HA LYS A 44 15.324 24.416 -3.852 1.00 32.32 H new ATOM 0 HB2 LYS A 44 14.349 26.353 -2.673 1.00 44.02 H new ATOM 0 HB3 LYS A 44 15.855 26.770 -3.466 1.00 44.02 H new ATOM 0 HG2 LYS A 44 14.586 28.582 -4.091 1.00 24.33 H new ATOM 0 HG3 LYS A 44 14.250 27.522 -5.445 1.00 24.33 H new ATOM 0 HD2 LYS A 44 12.063 27.301 -4.881 1.00 60.51 H new ATOM 0 HD3 LYS A 44 12.433 27.031 -3.189 1.00 60.51 H new ATOM 0 HE2 LYS A 44 11.293 29.059 -3.087 1.00 12.42 H new ATOM 0 HE3 LYS A 44 12.958 29.604 -3.137 1.00 12.42 H new ATOM 0 HZ1 LYS A 44 11.584 30.841 -4.681 1.00 73.51 H new ATOM 0 HZ2 LYS A 44 12.747 29.943 -5.532 1.00 73.51 H new ATOM 0 HZ3 LYS A 44 11.134 29.414 -5.483 1.00 73.51 H new ATOM 713 N LEU A 45 12.895 23.832 -3.680 1.00 21.42 N ATOM 714 CA LEU A 45 11.533 23.310 -3.722 1.00 2.33 C ATOM 715 C LEU A 45 10.520 24.409 -3.415 1.00 21.53 C ATOM 716 O LEU A 45 10.707 25.199 -2.489 1.00 40.41 O ATOM 717 CB LEU A 45 11.375 22.161 -2.724 1.00 40.42 C ATOM 718 CG LEU A 45 12.002 20.828 -3.132 1.00 33.51 C ATOM 719 CD1 LEU A 45 11.488 20.391 -4.495 1.00 34.42 C ATOM 720 CD2 LEU A 45 13.520 20.932 -3.141 1.00 12.21 C ATOM 0 H LEU A 45 13.462 23.468 -2.914 1.00 21.42 H new ATOM 0 HA LEU A 45 11.343 22.937 -4.728 1.00 2.33 H new ATOM 0 HB2 LEU A 45 11.811 22.469 -1.774 1.00 40.42 H new ATOM 0 HB3 LEU A 45 10.311 22.001 -2.550 1.00 40.42 H new ATOM 0 HG LEU A 45 11.714 20.074 -2.399 1.00 33.51 H new ATOM 0 HD11 LEU A 45 11.945 19.440 -4.769 1.00 34.42 H new ATOM 0 HD12 LEU A 45 10.405 20.275 -4.455 1.00 34.42 H new ATOM 0 HD13 LEU A 45 11.745 21.145 -5.239 1.00 34.42 H new ATOM 0 HD21 LEU A 45 13.949 19.974 -3.434 1.00 12.21 H new ATOM 0 HD22 LEU A 45 13.828 21.699 -3.851 1.00 12.21 H new ATOM 0 HD23 LEU A 45 13.872 21.198 -2.144 1.00 12.21 H new ATOM 732 N LEU A 46 9.446 24.450 -4.195 1.00 42.45 N ATOM 733 CA LEU A 46 8.401 25.450 -4.006 1.00 41.40 C ATOM 734 C LEU A 46 7.515 25.093 -2.817 1.00 53.22 C ATOM 735 O LEU A 46 7.628 25.686 -1.745 1.00 62.40 O ATOM 736 CB LEU A 46 7.551 25.574 -5.272 1.00 11.23 C ATOM 737 CG LEU A 46 8.163 26.384 -6.415 1.00 43.00 C ATOM 738 CD1 LEU A 46 8.513 27.788 -5.947 1.00 43.01 C ATOM 739 CD2 LEU A 46 9.395 25.681 -6.966 1.00 42.04 C ATOM 0 H LEU A 46 9.276 23.802 -4.964 1.00 42.45 H new ATOM 0 HA LEU A 46 8.881 26.408 -3.803 1.00 41.40 H new ATOM 0 HB2 LEU A 46 7.334 24.571 -5.640 1.00 11.23 H new ATOM 0 HB3 LEU A 46 6.597 26.027 -5.002 1.00 11.23 H new ATOM 0 HG LEU A 46 7.426 26.463 -7.214 1.00 43.00 H new ATOM 0 HD11 LEU A 46 8.947 28.350 -6.774 1.00 43.01 H new ATOM 0 HD12 LEU A 46 7.610 28.292 -5.601 1.00 43.01 H new ATOM 0 HD13 LEU A 46 9.232 27.730 -5.130 1.00 43.01 H new ATOM 0 HD21 LEU A 46 9.818 26.271 -7.779 1.00 42.04 H new ATOM 0 HD22 LEU A 46 10.136 25.571 -6.174 1.00 42.04 H new ATOM 0 HD23 LEU A 46 9.115 24.696 -7.340 1.00 42.04 H new ATOM 751 N GLY A 47 6.633 24.118 -3.015 1.00 34.01 N ATOM 752 CA GLY A 47 5.741 23.697 -1.950 1.00 22.10 C ATOM 753 C GLY A 47 6.276 22.503 -1.184 1.00 42.30 C ATOM 754 O GLY A 47 5.615 21.468 -1.091 1.00 52.35 O ATOM 0 H GLY A 47 6.520 23.612 -3.894 1.00 34.01 H new ATOM 0 HA2 GLY A 47 5.586 24.527 -1.261 1.00 22.10 H new ATOM 0 HA3 GLY A 47 4.768 23.447 -2.373 1.00 22.10 H new ATOM 758 N LEU A 48 7.477 22.645 -0.635 1.00 3.04 N ATOM 759 CA LEU A 48 8.102 21.569 0.126 1.00 24.33 C ATOM 760 C LEU A 48 7.147 21.023 1.183 1.00 62.23 C ATOM 761 O LEU A 48 7.177 19.836 1.509 1.00 25.01 O ATOM 762 CB LEU A 48 9.386 22.067 0.792 1.00 3.20 C ATOM 763 CG LEU A 48 9.247 23.308 1.674 1.00 13.33 C ATOM 764 CD1 LEU A 48 8.881 22.914 3.097 1.00 63.52 C ATOM 765 CD2 LEU A 48 10.533 24.122 1.658 1.00 32.52 C ATOM 0 H LEU A 48 8.038 23.494 -0.703 1.00 3.04 H new ATOM 0 HA LEU A 48 8.348 20.764 -0.566 1.00 24.33 H new ATOM 0 HB2 LEU A 48 9.794 21.259 1.399 1.00 3.20 H new ATOM 0 HB3 LEU A 48 10.117 22.280 0.012 1.00 3.20 H new ATOM 0 HG LEU A 48 8.444 23.927 1.272 1.00 13.33 H new ATOM 0 HD11 LEU A 48 8.786 23.810 3.710 1.00 63.52 H new ATOM 0 HD12 LEU A 48 7.933 22.375 3.093 1.00 63.52 H new ATOM 0 HD13 LEU A 48 9.661 22.273 3.509 1.00 63.52 H new ATOM 0 HD21 LEU A 48 10.415 25.001 2.291 1.00 32.52 H new ATOM 0 HD22 LEU A 48 11.354 23.512 2.034 1.00 32.52 H new ATOM 0 HD23 LEU A 48 10.752 24.437 0.638 1.00 32.52 H new ATOM 777 N LYS A 49 6.298 21.896 1.713 1.00 10.30 N ATOM 778 CA LYS A 49 5.330 21.503 2.730 1.00 23.42 C ATOM 779 C LYS A 49 3.978 21.185 2.101 1.00 72.25 C ATOM 780 O LYS A 49 3.583 21.800 1.110 1.00 63.34 O ATOM 781 CB LYS A 49 5.172 22.614 3.770 1.00 21.13 C ATOM 782 CG LYS A 49 3.725 22.962 4.073 1.00 40.20 C ATOM 783 CD LYS A 49 3.614 23.901 5.263 1.00 65.22 C ATOM 784 CE LYS A 49 3.435 25.345 4.819 1.00 24.51 C ATOM 785 NZ LYS A 49 3.515 26.291 5.966 1.00 55.21 N ATOM 0 H LYS A 49 6.260 22.882 1.455 1.00 10.30 H new ATOM 0 HA LYS A 49 5.702 20.604 3.221 1.00 23.42 H new ATOM 0 HB2 LYS A 49 5.664 22.309 4.693 1.00 21.13 H new ATOM 0 HB3 LYS A 49 5.685 23.508 3.415 1.00 21.13 H new ATOM 0 HG2 LYS A 49 3.271 23.427 3.198 1.00 40.20 H new ATOM 0 HG3 LYS A 49 3.165 22.049 4.275 1.00 40.20 H new ATOM 0 HD2 LYS A 49 2.770 23.603 5.885 1.00 65.22 H new ATOM 0 HD3 LYS A 49 4.509 23.817 5.879 1.00 65.22 H new ATOM 0 HE2 LYS A 49 4.201 25.597 4.086 1.00 24.51 H new ATOM 0 HE3 LYS A 49 2.471 25.456 4.323 1.00 24.51 H new ATOM 0 HZ1 LYS A 49 3.388 27.264 5.623 1.00 55.21 H new ATOM 0 HZ2 LYS A 49 2.768 26.067 6.654 1.00 55.21 H new ATOM 0 HZ3 LYS A 49 4.445 26.204 6.424 1.00 55.21 H new ATOM 799 N VAL A 50 3.271 20.222 2.683 1.00 74.41 N ATOM 800 CA VAL A 50 1.961 19.824 2.180 1.00 11.32 C ATOM 801 C VAL A 50 1.010 19.493 3.325 1.00 24.40 C ATOM 802 O VAL A 50 1.395 18.844 4.299 1.00 40.45 O ATOM 803 CB VAL A 50 2.065 18.605 1.244 1.00 1.44 C ATOM 804 CG1 VAL A 50 2.465 17.364 2.027 1.00 35.20 C ATOM 805 CG2 VAL A 50 0.751 18.383 0.511 1.00 51.50 C ATOM 0 H VAL A 50 3.583 19.703 3.503 1.00 74.41 H new ATOM 0 HA VAL A 50 1.567 20.671 1.618 1.00 11.32 H new ATOM 0 HB VAL A 50 2.839 18.803 0.502 1.00 1.44 H new ATOM 0 HG11 VAL A 50 2.534 16.513 1.350 1.00 35.20 H new ATOM 0 HG12 VAL A 50 3.432 17.529 2.501 1.00 35.20 H new ATOM 0 HG13 VAL A 50 1.716 17.159 2.792 1.00 35.20 H new ATOM 0 HG21 VAL A 50 0.842 17.518 -0.146 1.00 51.50 H new ATOM 0 HG22 VAL A 50 -0.044 18.206 1.235 1.00 51.50 H new ATOM 0 HG23 VAL A 50 0.512 19.265 -0.082 1.00 51.50 H new ATOM 815 N LYS A 51 -0.234 19.941 3.202 1.00 53.10 N ATOM 816 CA LYS A 51 -1.243 19.691 4.225 1.00 42.20 C ATOM 817 C LYS A 51 -0.761 20.166 5.592 1.00 44.51 C ATOM 818 O LYS A 51 -1.108 19.586 6.620 1.00 42.14 O ATOM 819 CB LYS A 51 -1.582 18.200 4.282 1.00 12.13 C ATOM 820 CG LYS A 51 -2.043 17.630 2.952 1.00 32.31 C ATOM 821 CD LYS A 51 -3.452 17.068 3.045 1.00 61.34 C ATOM 822 CE LYS A 51 -3.517 15.881 3.994 1.00 73.25 C ATOM 823 NZ LYS A 51 -4.389 14.795 3.465 1.00 51.41 N ATOM 0 H LYS A 51 -0.569 20.480 2.403 1.00 53.10 H new ATOM 0 HA LYS A 51 -2.140 20.252 3.960 1.00 42.20 H new ATOM 0 HB2 LYS A 51 -0.704 17.649 4.619 1.00 12.13 H new ATOM 0 HB3 LYS A 51 -2.363 18.042 5.026 1.00 12.13 H new ATOM 0 HG2 LYS A 51 -2.010 18.409 2.190 1.00 32.31 H new ATOM 0 HG3 LYS A 51 -1.357 16.845 2.634 1.00 32.31 H new ATOM 0 HD2 LYS A 51 -4.134 17.847 3.387 1.00 61.34 H new ATOM 0 HD3 LYS A 51 -3.789 16.762 2.055 1.00 61.34 H new ATOM 0 HE2 LYS A 51 -2.512 15.492 4.159 1.00 73.25 H new ATOM 0 HE3 LYS A 51 -3.894 16.210 4.962 1.00 73.25 H new ATOM 0 HZ1 LYS A 51 -4.407 14.004 4.140 1.00 51.41 H new ATOM 0 HZ2 LYS A 51 -5.354 15.159 3.332 1.00 51.41 H new ATOM 0 HZ3 LYS A 51 -4.015 14.463 2.553 1.00 51.41 H new ATOM 837 N GLY A 52 0.041 21.227 5.596 1.00 40.41 N ATOM 838 CA GLY A 52 0.556 21.763 6.842 1.00 3.13 C ATOM 839 C GLY A 52 1.857 21.108 7.261 1.00 23.32 C ATOM 840 O GLY A 52 2.571 21.621 8.123 1.00 42.43 O ATOM 0 H GLY A 52 0.343 21.725 4.758 1.00 40.41 H new ATOM 0 HA2 GLY A 52 0.711 22.837 6.736 1.00 3.13 H new ATOM 0 HA3 GLY A 52 -0.186 21.625 7.628 1.00 3.13 H new ATOM 844 N LYS A 53 2.167 19.968 6.652 1.00 51.21 N ATOM 845 CA LYS A 53 3.390 19.240 6.966 1.00 45.01 C ATOM 846 C LYS A 53 4.589 19.856 6.251 1.00 72.44 C ATOM 847 O LYS A 53 4.470 20.421 5.163 1.00 30.22 O ATOM 848 CB LYS A 53 3.248 17.768 6.571 1.00 1.31 C ATOM 849 CG LYS A 53 2.276 16.995 7.445 1.00 55.41 C ATOM 850 CD LYS A 53 2.748 16.937 8.888 1.00 15.41 C ATOM 851 CE LYS A 53 2.692 15.520 9.436 1.00 31.31 C ATOM 852 NZ LYS A 53 3.401 15.401 10.740 1.00 34.04 N ATOM 0 H LYS A 53 1.587 19.528 5.937 1.00 51.21 H new ATOM 0 HA LYS A 53 3.557 19.307 8.041 1.00 45.01 H new ATOM 0 HB2 LYS A 53 2.917 17.709 5.534 1.00 1.31 H new ATOM 0 HB3 LYS A 53 4.227 17.291 6.621 1.00 1.31 H new ATOM 0 HG2 LYS A 53 1.293 17.465 7.401 1.00 55.41 H new ATOM 0 HG3 LYS A 53 2.163 15.983 7.057 1.00 55.41 H new ATOM 0 HD2 LYS A 53 3.769 17.313 8.953 1.00 15.41 H new ATOM 0 HD3 LYS A 53 2.127 17.590 9.501 1.00 15.41 H new ATOM 0 HE2 LYS A 53 1.652 15.219 9.560 1.00 31.31 H new ATOM 0 HE3 LYS A 53 3.139 14.834 8.716 1.00 31.31 H new ATOM 0 HZ1 LYS A 53 3.340 14.420 11.080 1.00 34.04 H new ATOM 0 HZ2 LYS A 53 4.400 15.663 10.617 1.00 34.04 H new ATOM 0 HZ3 LYS A 53 2.959 16.036 11.435 1.00 34.04 H new ATOM 866 N PRO A 54 5.772 19.744 6.872 1.00 31.34 N ATOM 867 CA PRO A 54 7.015 20.282 6.312 1.00 70.43 C ATOM 868 C PRO A 54 7.478 19.509 5.081 1.00 31.13 C ATOM 869 O PRO A 54 8.013 20.089 4.137 1.00 2.44 O ATOM 870 CB PRO A 54 8.020 20.118 7.455 1.00 54.30 C ATOM 871 CG PRO A 54 7.485 18.993 8.271 1.00 20.42 C ATOM 872 CD PRO A 54 5.987 19.083 8.171 1.00 64.14 C ATOM 0 HA PRO A 54 6.898 21.312 5.974 1.00 70.43 H new ATOM 0 HB2 PRO A 54 9.017 19.893 7.076 1.00 54.30 H new ATOM 0 HB3 PRO A 54 8.101 21.031 8.045 1.00 54.30 H new ATOM 0 HG2 PRO A 54 7.844 18.034 7.896 1.00 20.42 H new ATOM 0 HG3 PRO A 54 7.812 19.073 9.308 1.00 20.42 H new ATOM 0 HD2 PRO A 54 5.522 18.098 8.203 1.00 64.14 H new ATOM 0 HD3 PRO A 54 5.563 19.662 8.992 1.00 64.14 H new ATOM 880 N ALA A 55 7.268 18.197 5.099 1.00 71.24 N ATOM 881 CA ALA A 55 7.662 17.345 3.983 1.00 14.30 C ATOM 882 C ALA A 55 9.008 17.777 3.411 1.00 14.22 C ATOM 883 O ALA A 55 9.222 17.728 2.201 1.00 71.15 O ATOM 884 CB ALA A 55 6.594 17.368 2.899 1.00 12.03 C ATOM 0 H ALA A 55 6.827 17.701 5.874 1.00 71.24 H new ATOM 0 HA ALA A 55 7.765 16.326 4.355 1.00 14.30 H new ATOM 0 HB1 ALA A 55 6.901 16.728 2.072 1.00 12.03 H new ATOM 0 HB2 ALA A 55 5.652 17.004 3.309 1.00 12.03 H new ATOM 0 HB3 ALA A 55 6.463 18.388 2.539 1.00 12.03 H new ATOM 890 N GLU A 56 9.910 18.201 4.290 1.00 25.32 N ATOM 891 CA GLU A 56 11.235 18.643 3.871 1.00 63.32 C ATOM 892 C GLU A 56 12.033 17.485 3.278 1.00 74.34 C ATOM 893 O GLU A 56 12.178 17.377 2.061 1.00 64.32 O ATOM 894 CB GLU A 56 11.995 19.246 5.055 1.00 74.45 C ATOM 895 CG GLU A 56 13.433 19.614 4.731 1.00 32.21 C ATOM 896 CD GLU A 56 13.729 21.080 4.978 1.00 41.42 C ATOM 897 OE1 GLU A 56 13.139 21.654 5.917 1.00 0.31 O ATOM 898 OE2 GLU A 56 14.550 21.654 4.232 1.00 22.02 O ATOM 0 H GLU A 56 9.748 18.248 5.296 1.00 25.32 H new ATOM 0 HA GLU A 56 11.108 19.406 3.103 1.00 63.32 H new ATOM 0 HB2 GLU A 56 11.469 20.137 5.398 1.00 74.45 H new ATOM 0 HB3 GLU A 56 11.988 18.535 5.881 1.00 74.45 H new ATOM 0 HG2 GLU A 56 14.105 19.005 5.335 1.00 32.21 H new ATOM 0 HG3 GLU A 56 13.639 19.376 3.687 1.00 32.21 H new ATOM 905 N ASN A 57 12.547 16.621 4.147 1.00 2.43 N ATOM 906 CA ASN A 57 13.331 15.472 3.710 1.00 30.34 C ATOM 907 C ASN A 57 13.257 14.342 4.734 1.00 41.43 C ATOM 908 O ASN A 57 13.181 13.168 4.373 1.00 71.13 O ATOM 909 CB ASN A 57 14.789 15.878 3.487 1.00 61.44 C ATOM 910 CG ASN A 57 15.246 16.950 4.456 1.00 1.14 C ATOM 911 OD1 ASN A 57 15.007 16.857 5.660 1.00 31.45 O ATOM 912 ND2 ASN A 57 15.907 17.977 3.934 1.00 24.45 N ATOM 0 H ASN A 57 12.435 16.695 5.158 1.00 2.43 H new ATOM 0 HA ASN A 57 12.912 15.115 2.769 1.00 30.34 H new ATOM 0 HB2 ASN A 57 15.428 15.001 3.592 1.00 61.44 H new ATOM 0 HB3 ASN A 57 14.910 16.240 2.466 1.00 61.44 H new ATOM 0 HD21 ASN A 57 16.239 18.730 4.537 1.00 24.45 H new ATOM 0 HD22 ASN A 57 16.083 18.013 2.930 1.00 24.45 H new ATOM 919 N ASP A 58 13.280 14.707 6.011 1.00 73.40 N ATOM 920 CA ASP A 58 13.214 13.725 7.087 1.00 35.23 C ATOM 921 C ASP A 58 11.816 13.122 7.188 1.00 71.25 C ATOM 922 O ASP A 58 11.568 12.236 8.006 1.00 53.03 O ATOM 923 CB ASP A 58 13.601 14.370 8.419 1.00 60.50 C ATOM 924 CG ASP A 58 13.697 13.359 9.545 1.00 0.11 C ATOM 925 OD1 ASP A 58 14.087 12.204 9.275 1.00 62.25 O ATOM 926 OD2 ASP A 58 13.383 13.724 10.697 1.00 32.32 O ATOM 0 H ASP A 58 13.344 15.675 6.326 1.00 73.40 H new ATOM 0 HA ASP A 58 13.920 12.926 6.860 1.00 35.23 H new ATOM 0 HB2 ASP A 58 14.559 14.879 8.309 1.00 60.50 H new ATOM 0 HB3 ASP A 58 12.864 15.130 8.679 1.00 60.50 H new ATOM 931 N VAL A 59 10.905 13.609 6.350 1.00 23.53 N ATOM 932 CA VAL A 59 9.532 13.118 6.344 1.00 23.14 C ATOM 933 C VAL A 59 9.354 11.995 5.329 1.00 65.22 C ATOM 934 O VAL A 59 10.008 11.977 4.286 1.00 71.55 O ATOM 935 CB VAL A 59 8.534 14.247 6.025 1.00 23.31 C ATOM 936 CG1 VAL A 59 7.216 14.014 6.748 1.00 41.43 C ATOM 937 CG2 VAL A 59 9.124 15.599 6.396 1.00 52.22 C ATOM 0 H VAL A 59 11.093 14.343 5.667 1.00 23.53 H new ATOM 0 HA VAL A 59 9.328 12.735 7.344 1.00 23.14 H new ATOM 0 HB VAL A 59 8.338 14.244 4.953 1.00 23.31 H new ATOM 0 HG11 VAL A 59 6.523 14.821 6.511 1.00 41.43 H new ATOM 0 HG12 VAL A 59 6.789 13.064 6.428 1.00 41.43 H new ATOM 0 HG13 VAL A 59 7.390 13.990 7.824 1.00 41.43 H new ATOM 0 HG21 VAL A 59 8.406 16.385 6.164 1.00 52.22 H new ATOM 0 HG22 VAL A 59 9.350 15.617 7.462 1.00 52.22 H new ATOM 0 HG23 VAL A 59 10.039 15.765 5.828 1.00 52.22 H new ATOM 947 N LYS A 60 8.465 11.058 5.640 1.00 11.35 N ATOM 948 CA LYS A 60 8.198 9.931 4.755 1.00 0.01 C ATOM 949 C LYS A 60 7.057 10.251 3.795 1.00 12.51 C ATOM 950 O LYS A 60 6.134 10.992 4.137 1.00 35.31 O ATOM 951 CB LYS A 60 7.856 8.684 5.573 1.00 74.41 C ATOM 952 CG LYS A 60 9.058 8.056 6.257 1.00 13.11 C ATOM 953 CD LYS A 60 8.958 6.540 6.280 1.00 40.04 C ATOM 954 CE LYS A 60 9.744 5.947 7.439 1.00 62.12 C ATOM 955 NZ LYS A 60 9.057 6.162 8.742 1.00 22.34 N ATOM 0 H LYS A 60 7.916 11.057 6.500 1.00 11.35 H new ATOM 0 HA LYS A 60 9.098 9.739 4.170 1.00 0.01 H new ATOM 0 HB2 LYS A 60 7.115 8.947 6.328 1.00 74.41 H new ATOM 0 HB3 LYS A 60 7.395 7.945 4.918 1.00 74.41 H new ATOM 0 HG2 LYS A 60 9.969 8.354 5.738 1.00 13.11 H new ATOM 0 HG3 LYS A 60 9.135 8.432 7.277 1.00 13.11 H new ATOM 0 HD2 LYS A 60 7.912 6.245 6.360 1.00 40.04 H new ATOM 0 HD3 LYS A 60 9.333 6.135 5.340 1.00 40.04 H new ATOM 0 HE2 LYS A 60 9.884 4.879 7.274 1.00 62.12 H new ATOM 0 HE3 LYS A 60 10.736 6.397 7.473 1.00 62.12 H new ATOM 0 HZ1 LYS A 60 9.476 5.540 9.462 1.00 22.34 H new ATOM 0 HZ2 LYS A 60 9.169 7.154 9.034 1.00 22.34 H new ATOM 0 HZ3 LYS A 60 8.045 5.943 8.641 1.00 22.34 H new ATOM 969 N LEU A 61 7.125 9.689 2.594 1.00 41.15 N ATOM 970 CA LEU A 61 6.096 9.914 1.584 1.00 22.20 C ATOM 971 C LEU A 61 4.709 9.615 2.144 1.00 23.12 C ATOM 972 O LEU A 61 3.743 10.315 1.845 1.00 44.44 O ATOM 973 CB LEU A 61 6.361 9.042 0.355 1.00 51.51 C ATOM 974 CG LEU A 61 7.811 8.982 -0.125 1.00 44.22 C ATOM 975 CD1 LEU A 61 7.940 8.049 -1.319 1.00 22.53 C ATOM 976 CD2 LEU A 61 8.315 10.374 -0.478 1.00 13.30 C ATOM 0 H LEU A 61 7.882 9.074 2.295 1.00 41.15 H new ATOM 0 HA LEU A 61 6.131 10.964 1.292 1.00 22.20 H new ATOM 0 HB2 LEU A 61 6.030 8.027 0.576 1.00 51.51 H new ATOM 0 HB3 LEU A 61 5.743 9.407 -0.465 1.00 51.51 H new ATOM 0 HG LEU A 61 8.425 8.590 0.686 1.00 44.22 H new ATOM 0 HD11 LEU A 61 8.979 8.019 -1.647 1.00 22.53 H new ATOM 0 HD12 LEU A 61 7.620 7.047 -1.034 1.00 22.53 H new ATOM 0 HD13 LEU A 61 7.313 8.412 -2.134 1.00 22.53 H new ATOM 0 HD21 LEU A 61 9.349 10.311 -0.818 1.00 13.30 H new ATOM 0 HD22 LEU A 61 7.697 10.794 -1.272 1.00 13.30 H new ATOM 0 HD23 LEU A 61 8.260 11.015 0.402 1.00 13.30 H new ATOM 988 N GLY A 62 4.619 8.570 2.962 1.00 61.14 N ATOM 989 CA GLY A 62 3.347 8.198 3.553 1.00 51.05 C ATOM 990 C GLY A 62 2.942 9.120 4.685 1.00 2.24 C ATOM 991 O GLY A 62 1.778 9.151 5.084 1.00 43.22 O ATOM 0 H GLY A 62 5.404 7.975 3.226 1.00 61.14 H new ATOM 0 HA2 GLY A 62 2.575 8.211 2.784 1.00 51.05 H new ATOM 0 HA3 GLY A 62 3.408 7.175 3.926 1.00 51.05 H new ATOM 995 N ALA A 63 3.906 9.872 5.207 1.00 52.51 N ATOM 996 CA ALA A 63 3.644 10.800 6.301 1.00 75.24 C ATOM 997 C ALA A 63 3.119 12.132 5.777 1.00 53.24 C ATOM 998 O ALA A 63 2.504 12.903 6.515 1.00 22.13 O ATOM 999 CB ALA A 63 4.905 11.014 7.124 1.00 14.25 C ATOM 0 H ALA A 63 4.875 9.857 4.890 1.00 52.51 H new ATOM 0 HA ALA A 63 2.876 10.363 6.940 1.00 75.24 H new ATOM 0 HB1 ALA A 63 4.695 11.709 7.937 1.00 14.25 H new ATOM 0 HB2 ALA A 63 5.236 10.061 7.537 1.00 14.25 H new ATOM 0 HB3 ALA A 63 5.689 11.426 6.488 1.00 14.25 H new ATOM 1005 N LEU A 64 3.365 12.398 4.499 1.00 51.33 N ATOM 1006 CA LEU A 64 2.917 13.639 3.875 1.00 4.15 C ATOM 1007 C LEU A 64 1.472 13.521 3.403 1.00 33.25 C ATOM 1008 O LEU A 64 0.795 14.525 3.182 1.00 42.33 O ATOM 1009 CB LEU A 64 3.823 13.996 2.696 1.00 44.11 C ATOM 1010 CG LEU A 64 5.223 13.381 2.714 1.00 20.42 C ATOM 1011 CD1 LEU A 64 5.979 13.735 1.443 1.00 52.10 C ATOM 1012 CD2 LEU A 64 5.994 13.844 3.942 1.00 55.32 C ATOM 0 H LEU A 64 3.872 11.771 3.874 1.00 51.33 H new ATOM 0 HA LEU A 64 2.972 14.432 4.621 1.00 4.15 H new ATOM 0 HB2 LEU A 64 3.325 13.690 1.776 1.00 44.11 H new ATOM 0 HB3 LEU A 64 3.925 15.081 2.658 1.00 44.11 H new ATOM 0 HG LEU A 64 5.121 12.297 2.761 1.00 20.42 H new ATOM 0 HD11 LEU A 64 6.973 13.288 1.474 1.00 52.10 H new ATOM 0 HD12 LEU A 64 5.436 13.352 0.578 1.00 52.10 H new ATOM 0 HD13 LEU A 64 6.070 14.818 1.364 1.00 52.10 H new ATOM 0 HD21 LEU A 64 6.988 13.396 3.938 1.00 55.32 H new ATOM 0 HD22 LEU A 64 6.085 14.930 3.926 1.00 55.32 H new ATOM 0 HD23 LEU A 64 5.462 13.538 4.843 1.00 55.32 H new ATOM 1024 N LYS A 65 1.003 12.287 3.254 1.00 71.44 N ATOM 1025 CA LYS A 65 -0.364 12.035 2.812 1.00 44.25 C ATOM 1026 C LYS A 65 -0.672 12.805 1.531 1.00 2.34 C ATOM 1027 O LYS A 65 -1.741 13.401 1.395 1.00 11.45 O ATOM 1028 CB LYS A 65 -1.357 12.429 3.908 1.00 64.35 C ATOM 1029 CG LYS A 65 -1.035 11.827 5.264 1.00 23.15 C ATOM 1030 CD LYS A 65 -1.123 10.310 5.237 1.00 15.31 C ATOM 1031 CE LYS A 65 -0.677 9.702 6.558 1.00 62.13 C ATOM 1032 NZ LYS A 65 -0.632 8.215 6.496 1.00 25.30 N ATOM 0 H LYS A 65 1.550 11.445 3.433 1.00 71.44 H new ATOM 0 HA LYS A 65 -0.463 10.969 2.607 1.00 44.25 H new ATOM 0 HB2 LYS A 65 -1.375 13.515 3.997 1.00 64.35 H new ATOM 0 HB3 LYS A 65 -2.358 12.117 3.609 1.00 64.35 H new ATOM 0 HG2 LYS A 65 -0.033 12.129 5.568 1.00 23.15 H new ATOM 0 HG3 LYS A 65 -1.726 12.219 6.010 1.00 23.15 H new ATOM 0 HD2 LYS A 65 -2.148 10.008 5.024 1.00 15.31 H new ATOM 0 HD3 LYS A 65 -0.502 9.923 4.429 1.00 15.31 H new ATOM 0 HE2 LYS A 65 0.310 10.085 6.819 1.00 62.13 H new ATOM 0 HE3 LYS A 65 -1.359 10.012 7.349 1.00 62.13 H new ATOM 0 HZ1 LYS A 65 -0.610 7.828 7.461 1.00 25.30 H new ATOM 0 HZ2 LYS A 65 -1.476 7.862 6.001 1.00 25.30 H new ATOM 0 HZ3 LYS A 65 0.221 7.915 5.983 1.00 25.30 H new ATOM 1046 N LEU A 66 0.270 12.788 0.595 1.00 61.22 N ATOM 1047 CA LEU A 66 0.098 13.483 -0.676 1.00 5.40 C ATOM 1048 C LEU A 66 -0.449 12.541 -1.743 1.00 62.11 C ATOM 1049 O LEU A 66 -0.226 11.331 -1.692 1.00 44.12 O ATOM 1050 CB LEU A 66 1.430 14.078 -1.138 1.00 71.25 C ATOM 1051 CG LEU A 66 1.554 15.599 -1.046 1.00 51.15 C ATOM 1052 CD1 LEU A 66 2.932 16.051 -1.505 1.00 54.01 C ATOM 1053 CD2 LEU A 66 0.467 16.274 -1.871 1.00 63.52 C ATOM 0 H LEU A 66 1.161 12.301 0.692 1.00 61.22 H new ATOM 0 HA LEU A 66 -0.621 14.289 -0.527 1.00 5.40 H new ATOM 0 HB2 LEU A 66 2.229 13.632 -0.546 1.00 71.25 H new ATOM 0 HB3 LEU A 66 1.597 13.782 -2.174 1.00 71.25 H new ATOM 0 HG LEU A 66 1.426 15.892 -0.004 1.00 51.15 H new ATOM 0 HD11 LEU A 66 3.002 17.136 -1.433 1.00 54.01 H new ATOM 0 HD12 LEU A 66 3.694 15.595 -0.872 1.00 54.01 H new ATOM 0 HD13 LEU A 66 3.089 15.746 -2.539 1.00 54.01 H new ATOM 0 HD21 LEU A 66 0.571 17.356 -1.794 1.00 63.52 H new ATOM 0 HD22 LEU A 66 0.563 15.974 -2.914 1.00 63.52 H new ATOM 0 HD23 LEU A 66 -0.512 15.976 -1.496 1.00 63.52 H new ATOM 1065 N LYS A 67 -1.165 13.103 -2.711 1.00 1.22 N ATOM 1066 CA LYS A 67 -1.742 12.315 -3.793 1.00 62.22 C ATOM 1067 C LYS A 67 -0.651 11.760 -4.703 1.00 63.41 C ATOM 1068 O LYS A 67 0.476 12.256 -4.736 1.00 74.12 O ATOM 1069 CB LYS A 67 -2.716 13.167 -4.609 1.00 53.23 C ATOM 1070 CG LYS A 67 -4.170 12.978 -4.211 1.00 41.25 C ATOM 1071 CD LYS A 67 -4.806 14.290 -3.783 1.00 41.03 C ATOM 1072 CE LYS A 67 -5.957 14.062 -2.816 1.00 32.32 C ATOM 1073 NZ LYS A 67 -5.475 13.657 -1.466 1.00 54.11 N ATOM 0 H LYS A 67 -1.360 14.103 -2.768 1.00 1.22 H new ATOM 0 HA LYS A 67 -2.283 11.478 -3.351 1.00 62.22 H new ATOM 0 HB2 LYS A 67 -2.450 14.218 -4.494 1.00 53.23 H new ATOM 0 HB3 LYS A 67 -2.602 12.923 -5.665 1.00 53.23 H new ATOM 0 HG2 LYS A 67 -4.726 12.559 -5.050 1.00 41.25 H new ATOM 0 HG3 LYS A 67 -4.234 12.258 -3.395 1.00 41.25 H new ATOM 0 HD2 LYS A 67 -4.054 14.924 -3.312 1.00 41.03 H new ATOM 0 HD3 LYS A 67 -5.168 14.824 -4.662 1.00 41.03 H new ATOM 0 HE2 LYS A 67 -6.547 14.975 -2.732 1.00 32.32 H new ATOM 0 HE3 LYS A 67 -6.617 13.291 -3.213 1.00 32.32 H new ATOM 0 HZ1 LYS A 67 -6.238 13.789 -0.771 1.00 54.11 H new ATOM 0 HZ2 LYS A 67 -5.192 12.656 -1.484 1.00 54.11 H new ATOM 0 HZ3 LYS A 67 -4.658 14.243 -1.199 1.00 54.11 H new ATOM 1087 N PRO A 68 -0.990 10.706 -5.461 1.00 11.12 N ATOM 1088 CA PRO A 68 -0.053 10.062 -6.387 1.00 15.34 C ATOM 1089 C PRO A 68 0.274 10.944 -7.587 1.00 12.33 C ATOM 1090 O PRO A 68 1.410 10.970 -8.059 1.00 34.43 O ATOM 1091 CB PRO A 68 -0.805 8.806 -6.835 1.00 41.42 C ATOM 1092 CG PRO A 68 -2.245 9.145 -6.661 1.00 74.53 C ATOM 1093 CD PRO A 68 -2.315 10.063 -5.473 1.00 24.25 C ATOM 0 HA PRO A 68 0.908 9.855 -5.917 1.00 15.34 H new ATOM 0 HB2 PRO A 68 -0.579 8.558 -7.872 1.00 41.42 H new ATOM 0 HB3 PRO A 68 -0.526 7.941 -6.233 1.00 41.42 H new ATOM 0 HG2 PRO A 68 -2.642 9.630 -7.553 1.00 74.53 H new ATOM 0 HG3 PRO A 68 -2.840 8.247 -6.495 1.00 74.53 H new ATOM 0 HD2 PRO A 68 -3.116 10.795 -5.577 1.00 24.25 H new ATOM 0 HD3 PRO A 68 -2.503 9.513 -4.551 1.00 24.25 H new ATOM 1101 N ASN A 69 -0.729 11.667 -8.075 1.00 60.13 N ATOM 1102 CA ASN A 69 -0.547 12.551 -9.221 1.00 61.41 C ATOM 1103 C ASN A 69 0.129 13.853 -8.802 1.00 20.51 C ATOM 1104 O ASN A 69 0.626 14.606 -9.640 1.00 70.41 O ATOM 1105 CB ASN A 69 -1.895 12.852 -9.879 1.00 33.33 C ATOM 1106 CG ASN A 69 -2.750 11.610 -10.039 1.00 74.41 C ATOM 1107 OD1 ASN A 69 -2.242 10.525 -10.322 1.00 60.32 O ATOM 1108 ND2 ASN A 69 -4.057 11.764 -9.859 1.00 20.34 N ATOM 0 H ASN A 69 -1.676 11.658 -7.695 1.00 60.13 H new ATOM 0 HA ASN A 69 0.096 12.044 -9.941 1.00 61.41 H new ATOM 0 HB2 ASN A 69 -2.433 13.586 -9.279 1.00 33.33 H new ATOM 0 HB3 ASN A 69 -1.726 13.302 -10.857 1.00 33.33 H new ATOM 0 HD21 ASN A 69 -4.683 10.964 -9.954 1.00 20.34 H new ATOM 0 HD22 ASN A 69 -4.435 12.682 -9.625 1.00 20.34 H new ATOM 1115 N THR A 70 0.145 14.112 -7.498 1.00 73.10 N ATOM 1116 CA THR A 70 0.759 15.322 -6.967 1.00 13.22 C ATOM 1117 C THR A 70 1.959 15.744 -7.806 1.00 61.24 C ATOM 1118 O THR A 70 2.869 14.951 -8.050 1.00 2.13 O ATOM 1119 CB THR A 70 1.210 15.129 -5.507 1.00 22.21 C ATOM 1120 OG1 THR A 70 0.072 14.897 -4.669 1.00 24.12 O ATOM 1121 CG2 THR A 70 1.972 16.348 -5.010 1.00 42.11 C ATOM 0 H THR A 70 -0.261 13.499 -6.790 1.00 73.10 H new ATOM 0 HA THR A 70 0.000 16.104 -7.005 1.00 13.22 H new ATOM 0 HB THR A 70 1.873 14.265 -5.466 1.00 22.21 H new ATOM 0 HG1 THR A 70 -0.468 15.713 -4.618 1.00 24.12 H new ATOM 0 HG21 THR A 70 2.280 16.188 -3.977 1.00 42.11 H new ATOM 0 HG22 THR A 70 2.854 16.504 -5.632 1.00 42.11 H new ATOM 0 HG23 THR A 70 1.329 17.226 -5.065 1.00 42.11 H new ATOM 1129 N LYS A 71 1.956 16.997 -8.247 1.00 50.30 N ATOM 1130 CA LYS A 71 3.046 17.526 -9.058 1.00 51.34 C ATOM 1131 C LYS A 71 4.047 18.287 -8.195 1.00 40.32 C ATOM 1132 O LYS A 71 3.672 18.932 -7.216 1.00 14.52 O ATOM 1133 CB LYS A 71 2.496 18.446 -10.151 1.00 72.11 C ATOM 1134 CG LYS A 71 1.279 17.883 -10.864 1.00 74.21 C ATOM 1135 CD LYS A 71 0.011 18.626 -10.476 1.00 24.24 C ATOM 1136 CE LYS A 71 -1.189 18.133 -11.269 1.00 32.35 C ATOM 1137 NZ LYS A 71 -1.300 18.814 -12.588 1.00 70.22 N ATOM 0 H LYS A 71 1.210 17.666 -8.056 1.00 50.30 H new ATOM 0 HA LYS A 71 3.560 16.685 -9.524 1.00 51.34 H new ATOM 0 HB2 LYS A 71 2.235 19.407 -9.708 1.00 72.11 H new ATOM 0 HB3 LYS A 71 3.281 18.635 -10.884 1.00 72.11 H new ATOM 0 HG2 LYS A 71 1.425 17.949 -11.942 1.00 74.21 H new ATOM 0 HG3 LYS A 71 1.171 16.826 -10.621 1.00 74.21 H new ATOM 0 HD2 LYS A 71 -0.177 18.495 -9.410 1.00 24.24 H new ATOM 0 HD3 LYS A 71 0.147 19.694 -10.647 1.00 24.24 H new ATOM 0 HE2 LYS A 71 -1.106 17.057 -11.422 1.00 32.35 H new ATOM 0 HE3 LYS A 71 -2.099 18.304 -10.694 1.00 32.35 H new ATOM 0 HZ1 LYS A 71 -2.130 18.450 -13.098 1.00 70.22 H new ATOM 0 HZ2 LYS A 71 -1.405 19.838 -12.442 1.00 70.22 H new ATOM 0 HZ3 LYS A 71 -0.443 18.630 -13.147 1.00 70.22 H new ATOM 1151 N ILE A 72 5.321 18.209 -8.566 1.00 34.35 N ATOM 1152 CA ILE A 72 6.374 18.892 -7.826 1.00 43.41 C ATOM 1153 C ILE A 72 7.036 19.969 -8.680 1.00 73.22 C ATOM 1154 O ILE A 72 7.467 19.707 -9.803 1.00 31.44 O ATOM 1155 CB ILE A 72 7.452 17.906 -7.339 1.00 33.40 C ATOM 1156 CG1 ILE A 72 6.814 16.788 -6.511 1.00 72.13 C ATOM 1157 CG2 ILE A 72 8.510 18.636 -6.526 1.00 62.21 C ATOM 1158 CD1 ILE A 72 6.033 17.291 -5.317 1.00 72.43 C ATOM 0 H ILE A 72 5.648 17.680 -9.374 1.00 34.35 H new ATOM 0 HA ILE A 72 5.901 19.356 -6.961 1.00 43.41 H new ATOM 0 HB ILE A 72 7.934 17.460 -8.209 1.00 33.40 H new ATOM 0 HG12 ILE A 72 6.150 16.207 -7.151 1.00 72.13 H new ATOM 0 HG13 ILE A 72 7.596 16.112 -6.165 1.00 72.13 H new ATOM 0 HG21 ILE A 72 9.265 17.925 -6.189 1.00 62.21 H new ATOM 0 HG22 ILE A 72 8.981 19.400 -7.145 1.00 62.21 H new ATOM 0 HG23 ILE A 72 8.043 19.107 -5.661 1.00 62.21 H new ATOM 0 HD11 ILE A 72 5.609 16.445 -4.777 1.00 72.43 H new ATOM 0 HD12 ILE A 72 6.697 17.847 -4.656 1.00 72.43 H new ATOM 0 HD13 ILE A 72 5.229 17.944 -5.657 1.00 72.43 H new ATOM 1170 N MET A 73 7.114 21.180 -8.140 1.00 15.43 N ATOM 1171 CA MET A 73 7.726 22.296 -8.851 1.00 53.44 C ATOM 1172 C MET A 73 9.155 22.529 -8.372 1.00 31.32 C ATOM 1173 O MET A 73 9.448 22.406 -7.183 1.00 12.42 O ATOM 1174 CB MET A 73 6.897 23.568 -8.658 1.00 44.14 C ATOM 1175 CG MET A 73 5.464 23.440 -9.147 1.00 33.42 C ATOM 1176 SD MET A 73 4.366 24.665 -8.409 1.00 21.02 S ATOM 1177 CE MET A 73 4.046 25.725 -9.817 1.00 24.22 C ATOM 0 H MET A 73 6.761 21.414 -7.212 1.00 15.43 H new ATOM 0 HA MET A 73 7.754 22.046 -9.912 1.00 53.44 H new ATOM 0 HB2 MET A 73 6.889 23.829 -7.600 1.00 44.14 H new ATOM 0 HB3 MET A 73 7.380 24.390 -9.186 1.00 44.14 H new ATOM 0 HG2 MET A 73 5.444 23.546 -10.232 1.00 33.42 H new ATOM 0 HG3 MET A 73 5.094 22.441 -8.917 1.00 33.42 H new ATOM 0 HE1 MET A 73 3.379 26.534 -9.519 1.00 24.22 H new ATOM 0 HE2 MET A 73 4.985 26.143 -10.178 1.00 24.22 H new ATOM 0 HE3 MET A 73 3.578 25.143 -10.611 1.00 24.22 H new ATOM 1187 N MET A 74 10.040 22.864 -9.305 1.00 23.14 N ATOM 1188 CA MET A 74 11.439 23.114 -8.975 1.00 72.05 C ATOM 1189 C MET A 74 11.936 24.390 -9.647 1.00 55.23 C ATOM 1190 O MET A 74 11.968 24.484 -10.874 1.00 4.42 O ATOM 1191 CB MET A 74 12.306 21.928 -9.403 1.00 55.02 C ATOM 1192 CG MET A 74 11.809 20.591 -8.877 1.00 10.32 C ATOM 1193 SD MET A 74 12.339 19.203 -9.897 1.00 64.41 S ATOM 1194 CE MET A 74 13.099 18.148 -8.665 1.00 32.42 C ATOM 0 H MET A 74 9.814 22.969 -10.294 1.00 23.14 H new ATOM 0 HA MET A 74 11.515 23.239 -7.895 1.00 72.05 H new ATOM 0 HB2 MET A 74 12.343 21.890 -10.492 1.00 55.02 H new ATOM 0 HB3 MET A 74 13.326 22.090 -9.055 1.00 55.02 H new ATOM 0 HG2 MET A 74 12.172 20.448 -7.859 1.00 10.32 H new ATOM 0 HG3 MET A 74 10.720 20.606 -8.828 1.00 10.32 H new ATOM 0 HE1 MET A 74 13.524 17.270 -9.151 1.00 32.42 H new ATOM 0 HE2 MET A 74 13.889 18.697 -8.153 1.00 32.42 H new ATOM 0 HE3 MET A 74 12.347 17.834 -7.941 1.00 32.42 H new ATOM 1204 N MET A 75 12.321 25.370 -8.836 1.00 34.44 N ATOM 1205 CA MET A 75 12.816 26.640 -9.353 1.00 24.22 C ATOM 1206 C MET A 75 14.331 26.736 -9.198 1.00 71.44 C ATOM 1207 O MET A 75 14.861 26.614 -8.095 1.00 31.20 O ATOM 1208 CB MET A 75 12.143 27.807 -8.629 1.00 3.34 C ATOM 1209 CG MET A 75 10.647 27.898 -8.882 1.00 2.22 C ATOM 1210 SD MET A 75 10.212 29.247 -9.996 1.00 41.32 S ATOM 1211 CE MET A 75 10.334 28.428 -11.584 1.00 63.30 C ATOM 0 H MET A 75 12.300 25.309 -7.818 1.00 34.44 H new ATOM 0 HA MET A 75 12.573 26.692 -10.414 1.00 24.22 H new ATOM 0 HB2 MET A 75 12.317 27.708 -7.557 1.00 3.34 H new ATOM 0 HB3 MET A 75 12.614 28.739 -8.943 1.00 3.34 H new ATOM 0 HG2 MET A 75 10.296 26.956 -9.304 1.00 2.22 H new ATOM 0 HG3 MET A 75 10.129 28.035 -7.932 1.00 2.22 H new ATOM 0 HE1 MET A 75 11.246 28.746 -12.088 1.00 63.30 H new ATOM 0 HE2 MET A 75 10.359 27.348 -11.436 1.00 63.30 H new ATOM 0 HE3 MET A 75 9.471 28.690 -12.196 1.00 63.30 H new ATOM 1221 N GLY A 76 15.022 26.955 -10.313 1.00 24.51 N ATOM 1222 CA GLY A 76 16.469 27.062 -10.279 1.00 2.40 C ATOM 1223 C GLY A 76 17.100 26.834 -11.638 1.00 73.43 C ATOM 1224 O GLY A 76 16.449 27.002 -12.670 1.00 74.21 O ATOM 0 H GLY A 76 14.606 27.060 -11.238 1.00 24.51 H new ATOM 0 HA2 GLY A 76 16.749 28.050 -9.913 1.00 2.40 H new ATOM 0 HA3 GLY A 76 16.867 26.336 -9.571 1.00 2.40 H new ATOM 1228 N THR A 77 18.373 26.450 -11.642 1.00 14.02 N ATOM 1229 CA THR A 77 19.092 26.201 -12.884 1.00 65.22 C ATOM 1230 C THR A 77 19.883 24.899 -12.810 1.00 53.33 C ATOM 1231 O THR A 77 20.337 24.498 -11.739 1.00 31.03 O ATOM 1232 CB THR A 77 20.057 27.355 -13.216 1.00 55.33 C ATOM 1233 OG1 THR A 77 20.922 26.977 -14.293 1.00 33.13 O ATOM 1234 CG2 THR A 77 20.888 27.733 -12.000 1.00 11.15 C ATOM 0 H THR A 77 18.927 26.305 -10.798 1.00 14.02 H new ATOM 0 HA THR A 77 18.343 26.125 -13.672 1.00 65.22 H new ATOM 0 HB THR A 77 19.464 28.220 -13.514 1.00 55.33 H new ATOM 0 HG1 THR A 77 21.531 27.717 -14.499 1.00 33.13 H new ATOM 0 HG21 THR A 77 21.562 28.550 -12.259 1.00 11.15 H new ATOM 0 HG22 THR A 77 20.228 28.049 -11.192 1.00 11.15 H new ATOM 0 HG23 THR A 77 21.471 26.871 -11.675 1.00 11.15 H new