USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 779 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 53 SER OG : rot -32:sc= 0.0719 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.023) USER MOD Set 2.1: A 41 MET CE :methyl -156:sc= -0.0342 (180deg=-0.232) USER MOD Set 2.2: A 43 MET CE :methyl -119:sc= -0.905 (180deg=-1.8!) USER MOD Single : A 4 GLN : amide:sc= 0.451 X(o=0.45,f=0) USER MOD Single : A 5 SER OG : rot 170:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= 1.16 (180deg=0.108) USER MOD Single : A 12 SER OG : rot 80:sc= 0.649 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -79:sc= 0.661 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.362 K(o=-0.36,f=-1.3) USER MOD Single : A 36 HIS : no HE2:sc= -0.567 K(o=-0.57,f=-6!) USER MOD Single : A 38 MET CE :methyl -158:sc= -0.132 (180deg=-0.709) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -29:sc= 0.253 USER MOD Single : A 63 TYR OH : rot -129:sc= 0.648 USER MOD Single : A 65 TYR OH : rot 30:sc= 0.681 USER MOD Single : A 71 GLN : amide:sc= -2.38! C(o=-2.4!,f=-7!) USER MOD Single : A 72 THR OG1 : rot 73:sc= 1.58 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0957 K(o=-0.096,f=-0.6) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.568 K(o=-0.57,f=-1.6) USER MOD Single : A 88 SER OG : rot 170:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 4.153 0.029 11.235 1.00 64.23 N ATOM 50 CA GLN A 4 4.697 -0.892 10.234 1.00 70.23 C ATOM 51 C GLN A 4 3.931 -2.223 10.226 1.00 32.34 C ATOM 52 O GLN A 4 3.716 -2.834 11.277 1.00 53.22 O ATOM 53 CB GLN A 4 6.183 -1.150 10.518 1.00 52.15 C ATOM 54 CG GLN A 4 7.002 0.124 10.696 1.00 41.03 C ATOM 55 CD GLN A 4 8.480 -0.146 10.882 1.00 64.10 C ATOM 56 OE1 GLN A 4 8.958 -0.327 11.995 1.00 32.14 O ATOM 57 NE2 GLN A 4 9.218 -0.174 9.794 1.00 11.33 N ATOM 0 HA GLN A 4 4.585 -0.430 9.253 1.00 70.23 H new ATOM 0 HB2 GLN A 4 6.272 -1.758 11.419 1.00 52.15 H new ATOM 0 HB3 GLN A 4 6.605 -1.731 9.698 1.00 52.15 H new ATOM 0 HG2 GLN A 4 6.862 0.765 9.825 1.00 41.03 H new ATOM 0 HG3 GLN A 4 6.627 0.673 11.560 1.00 41.03 H new ATOM 0 HE21 GLN A 4 8.788 -0.019 8.882 1.00 11.33 H new ATOM 0 HE22 GLN A 4 10.220 -0.351 9.862 1.00 11.33 H new ATOM 66 N SER A 5 3.528 -2.671 9.041 1.00 22.04 N ATOM 67 CA SER A 5 2.824 -3.953 8.885 1.00 11.44 C ATOM 68 C SER A 5 3.664 -4.957 8.089 1.00 33.33 C ATOM 69 O SER A 5 4.223 -4.624 7.043 1.00 13.43 O ATOM 70 CB SER A 5 1.477 -3.751 8.179 1.00 50.14 C ATOM 71 OG SER A 5 0.813 -4.992 7.968 1.00 1.15 O ATOM 0 H SER A 5 3.675 -2.167 8.167 1.00 22.04 H new ATOM 0 HA SER A 5 2.654 -4.351 9.885 1.00 11.44 H new ATOM 0 HB2 SER A 5 0.845 -3.095 8.778 1.00 50.14 H new ATOM 0 HB3 SER A 5 1.636 -3.254 7.222 1.00 50.14 H new ATOM 0 HG SER A 5 -0.104 -4.825 7.667 1.00 1.15 H new ATOM 77 N ASP A 6 3.748 -6.187 8.586 1.00 23.15 N ATOM 78 CA ASP A 6 4.453 -7.260 7.882 1.00 75.44 C ATOM 79 C ASP A 6 3.603 -7.798 6.713 1.00 13.40 C ATOM 80 O ASP A 6 2.371 -7.697 6.724 1.00 2.31 O ATOM 81 CB ASP A 6 4.791 -8.390 8.865 1.00 63.33 C ATOM 82 CG ASP A 6 5.522 -9.546 8.202 1.00 14.53 C ATOM 83 OD1 ASP A 6 4.852 -10.399 7.586 1.00 22.33 O ATOM 84 OD2 ASP A 6 6.769 -9.598 8.282 1.00 63.44 O ATOM 0 H ASP A 6 3.336 -6.469 9.476 1.00 23.15 H new ATOM 0 HA ASP A 6 5.378 -6.859 7.469 1.00 75.44 H new ATOM 0 HB2 ASP A 6 5.406 -7.992 9.672 1.00 63.33 H new ATOM 0 HB3 ASP A 6 3.871 -8.759 9.318 1.00 63.33 H new ATOM 89 N ALA A 7 4.266 -8.387 5.718 1.00 63.34 N ATOM 90 CA ALA A 7 3.592 -8.876 4.513 1.00 25.45 C ATOM 91 C ALA A 7 2.578 -9.997 4.816 1.00 34.24 C ATOM 92 O ALA A 7 1.417 -9.906 4.416 1.00 0.01 O ATOM 93 CB ALA A 7 4.627 -9.352 3.500 1.00 73.11 C ATOM 0 H ALA A 7 5.275 -8.538 5.722 1.00 63.34 H new ATOM 0 HA ALA A 7 3.025 -8.044 4.095 1.00 25.45 H new ATOM 0 HB1 ALA A 7 4.121 -9.715 2.606 1.00 73.11 H new ATOM 0 HB2 ALA A 7 5.284 -8.524 3.234 1.00 73.11 H new ATOM 0 HB3 ALA A 7 5.218 -10.158 3.935 1.00 73.11 H new ATOM 99 N HIS A 8 3.002 -11.054 5.530 1.00 30.35 N ATOM 100 CA HIS A 8 2.089 -12.177 5.824 1.00 4.53 C ATOM 101 C HIS A 8 1.066 -11.827 6.911 1.00 24.32 C ATOM 102 O HIS A 8 -0.026 -12.395 6.938 1.00 73.42 O ATOM 103 CB HIS A 8 2.826 -13.496 6.143 1.00 4.12 C ATOM 104 CG HIS A 8 4.023 -13.379 7.033 1.00 23.53 C ATOM 105 ND1 HIS A 8 5.304 -13.527 6.557 1.00 55.00 N ATOM 106 CD2 HIS A 8 4.142 -13.175 8.369 1.00 42.05 C ATOM 107 CE1 HIS A 8 6.158 -13.421 7.548 1.00 32.42 C ATOM 108 NE2 HIS A 8 5.486 -13.206 8.660 1.00 52.45 N ATOM 0 H HIS A 8 3.944 -11.156 5.906 1.00 30.35 H new ATOM 0 HA HIS A 8 1.537 -12.350 4.900 1.00 4.53 H new ATOM 0 HB2 HIS A 8 2.118 -14.182 6.608 1.00 4.12 H new ATOM 0 HB3 HIS A 8 3.140 -13.950 5.203 1.00 4.12 H new ATOM 0 HD2 HIS A 8 3.336 -13.018 9.070 1.00 42.05 H new ATOM 0 HE1 HIS A 8 7.232 -13.497 7.465 1.00 32.42 H new ATOM 0 HE2 HIS A 8 5.895 -13.083 9.586 1.00 52.45 H new ATOM 117 N VAL A 9 1.407 -10.895 7.798 1.00 2.33 N ATOM 118 CA VAL A 9 0.433 -10.389 8.774 1.00 64.12 C ATOM 119 C VAL A 9 -0.759 -9.738 8.053 1.00 21.15 C ATOM 120 O VAL A 9 -1.916 -10.048 8.338 1.00 42.23 O ATOM 121 CB VAL A 9 1.073 -9.373 9.754 1.00 62.53 C ATOM 122 CG1 VAL A 9 0.017 -8.751 10.671 1.00 63.10 C ATOM 123 CG2 VAL A 9 2.171 -10.047 10.578 1.00 53.24 C ATOM 0 H VAL A 9 2.335 -10.477 7.865 1.00 2.33 H new ATOM 0 HA VAL A 9 0.084 -11.242 9.356 1.00 64.12 H new ATOM 0 HB VAL A 9 1.520 -8.571 9.166 1.00 62.53 H new ATOM 0 HG11 VAL A 9 0.495 -8.042 11.348 1.00 63.10 H new ATOM 0 HG12 VAL A 9 -0.728 -8.231 10.068 1.00 63.10 H new ATOM 0 HG13 VAL A 9 -0.469 -9.536 11.251 1.00 63.10 H new ATOM 0 HG21 VAL A 9 2.611 -9.321 11.261 1.00 53.24 H new ATOM 0 HG22 VAL A 9 1.743 -10.870 11.150 1.00 53.24 H new ATOM 0 HG23 VAL A 9 2.943 -10.431 9.911 1.00 53.24 H new ATOM 133 N LEU A 10 -0.465 -8.854 7.096 1.00 45.30 N ATOM 134 CA LEU A 10 -1.508 -8.226 6.274 1.00 23.45 C ATOM 135 C LEU A 10 -2.202 -9.263 5.372 1.00 73.14 C ATOM 136 O LEU A 10 -3.425 -9.268 5.242 1.00 34.34 O ATOM 137 CB LEU A 10 -0.911 -7.096 5.419 1.00 71.32 C ATOM 138 CG LEU A 10 -1.918 -6.334 4.537 1.00 10.20 C ATOM 139 CD1 LEU A 10 -3.020 -5.716 5.390 1.00 31.41 C ATOM 140 CD2 LEU A 10 -1.207 -5.263 3.710 1.00 10.45 C ATOM 0 H LEU A 10 0.484 -8.556 6.870 1.00 45.30 H new ATOM 0 HA LEU A 10 -2.255 -7.804 6.946 1.00 23.45 H new ATOM 0 HB2 LEU A 10 -0.421 -6.382 6.081 1.00 71.32 H new ATOM 0 HB3 LEU A 10 -0.138 -7.518 4.777 1.00 71.32 H new ATOM 0 HG LEU A 10 -2.378 -7.044 3.850 1.00 10.20 H new ATOM 0 HD11 LEU A 10 -3.721 -5.182 4.748 1.00 31.41 H new ATOM 0 HD12 LEU A 10 -3.548 -6.503 5.928 1.00 31.41 H new ATOM 0 HD13 LEU A 10 -2.580 -5.020 6.104 1.00 31.41 H new ATOM 0 HD21 LEU A 10 -1.935 -4.736 3.094 1.00 10.45 H new ATOM 0 HD22 LEU A 10 -0.716 -4.555 4.377 1.00 10.45 H new ATOM 0 HD23 LEU A 10 -0.462 -5.734 3.069 1.00 10.45 H new ATOM 152 N LYS A 11 -1.410 -10.142 4.757 1.00 53.03 N ATOM 153 CA LYS A 11 -1.934 -11.225 3.909 1.00 32.01 C ATOM 154 C LYS A 11 -2.947 -12.099 4.669 1.00 10.42 C ATOM 155 O LYS A 11 -4.016 -12.435 4.154 1.00 32.22 O ATOM 156 CB LYS A 11 -0.766 -12.092 3.411 1.00 31.42 C ATOM 157 CG LYS A 11 -1.191 -13.264 2.533 1.00 22.30 C ATOM 158 CD LYS A 11 -0.048 -14.253 2.310 1.00 2.14 C ATOM 159 CE LYS A 11 -0.567 -15.614 1.853 1.00 64.41 C ATOM 160 NZ LYS A 11 0.503 -16.648 1.841 1.00 35.11 N ATOM 0 H LYS A 11 -0.393 -10.128 4.829 1.00 53.03 H new ATOM 0 HA LYS A 11 -2.453 -10.776 3.062 1.00 32.01 H new ATOM 0 HB2 LYS A 11 -0.075 -11.463 2.850 1.00 31.42 H new ATOM 0 HB3 LYS A 11 -0.220 -12.476 4.272 1.00 31.42 H new ATOM 0 HG2 LYS A 11 -2.032 -13.779 2.998 1.00 22.30 H new ATOM 0 HG3 LYS A 11 -1.539 -12.889 1.571 1.00 22.30 H new ATOM 0 HD2 LYS A 11 0.639 -13.855 1.563 1.00 2.14 H new ATOM 0 HD3 LYS A 11 0.519 -14.370 3.234 1.00 2.14 H new ATOM 0 HE2 LYS A 11 -1.372 -15.935 2.514 1.00 64.41 H new ATOM 0 HE3 LYS A 11 -0.992 -15.522 0.854 1.00 64.41 H new ATOM 0 HZ1 LYS A 11 0.435 -17.208 0.967 1.00 35.11 H new ATOM 0 HZ2 LYS A 11 1.433 -16.185 1.884 1.00 35.11 H new ATOM 0 HZ3 LYS A 11 0.390 -17.274 2.663 1.00 35.11 H new ATOM 174 N SER A 12 -2.615 -12.433 5.910 1.00 44.52 N ATOM 175 CA SER A 12 -3.479 -13.278 6.747 1.00 43.12 C ATOM 176 C SER A 12 -4.678 -12.470 7.229 1.00 3.11 C ATOM 177 O SER A 12 -5.790 -12.974 7.348 1.00 63.31 O ATOM 178 CB SER A 12 -2.710 -13.838 7.954 1.00 32.21 C ATOM 179 OG SER A 12 -1.638 -14.679 7.549 1.00 74.13 O ATOM 0 H SER A 12 -1.753 -12.134 6.366 1.00 44.52 H new ATOM 0 HA SER A 12 -3.821 -14.118 6.143 1.00 43.12 H new ATOM 0 HB2 SER A 12 -2.320 -13.014 8.552 1.00 32.21 H new ATOM 0 HB3 SER A 12 -3.392 -14.400 8.592 1.00 32.21 H new ATOM 0 HG SER A 12 -0.875 -14.128 7.276 1.00 74.13 H new ATOM 185 N ARG A 13 -4.429 -11.204 7.500 1.00 73.50 N ATOM 186 CA ARG A 13 -5.473 -10.257 7.865 1.00 50.13 C ATOM 187 C ARG A 13 -6.461 -10.031 6.699 1.00 12.52 C ATOM 188 O ARG A 13 -7.633 -9.723 6.915 1.00 20.41 O ATOM 189 CB ARG A 13 -4.800 -8.950 8.308 1.00 4.31 C ATOM 190 CG ARG A 13 -5.705 -7.733 8.314 1.00 30.40 C ATOM 191 CD ARG A 13 -5.055 -6.551 9.033 1.00 34.14 C ATOM 192 NE ARG A 13 -4.663 -6.902 10.399 1.00 42.32 N ATOM 193 CZ ARG A 13 -4.328 -6.045 11.328 1.00 60.54 C ATOM 194 NH1 ARG A 13 -4.286 -4.774 11.082 1.00 32.41 N ATOM 195 NH2 ARG A 13 -4.016 -6.477 12.507 1.00 32.31 N ATOM 0 H ARG A 13 -3.494 -10.798 7.474 1.00 73.50 H new ATOM 0 HA ARG A 13 -6.066 -10.656 8.688 1.00 50.13 H new ATOM 0 HB2 ARG A 13 -4.396 -9.089 9.311 1.00 4.31 H new ATOM 0 HB3 ARG A 13 -3.955 -8.752 7.649 1.00 4.31 H new ATOM 0 HG2 ARG A 13 -5.942 -7.450 7.288 1.00 30.40 H new ATOM 0 HG3 ARG A 13 -6.648 -7.982 8.801 1.00 30.40 H new ATOM 0 HD2 ARG A 13 -4.178 -6.222 8.475 1.00 34.14 H new ATOM 0 HD3 ARG A 13 -5.750 -5.712 9.057 1.00 34.14 H new ATOM 0 HE ARG A 13 -4.650 -7.892 10.645 1.00 42.32 H new ATOM 0 HH11 ARG A 13 -4.517 -4.427 10.151 1.00 32.41 H new ATOM 0 HH12 ARG A 13 -4.022 -4.120 11.819 1.00 32.41 H new ATOM 0 HH21 ARG A 13 -4.033 -7.478 12.705 1.00 32.31 H new ATOM 0 HH22 ARG A 13 -3.753 -5.817 13.239 1.00 32.31 H new ATOM 209 N LEU A 14 -5.974 -10.205 5.472 1.00 41.22 N ATOM 210 CA LEU A 14 -6.804 -10.095 4.269 1.00 3.14 C ATOM 211 C LEU A 14 -7.665 -11.360 4.061 1.00 3.34 C ATOM 212 O LEU A 14 -8.892 -11.285 3.983 1.00 64.23 O ATOM 213 CB LEU A 14 -5.887 -9.867 3.049 1.00 70.33 C ATOM 214 CG LEU A 14 -6.504 -9.098 1.865 1.00 42.10 C ATOM 215 CD1 LEU A 14 -5.446 -8.800 0.804 1.00 54.20 C ATOM 216 CD2 LEU A 14 -7.682 -9.855 1.246 1.00 63.20 C ATOM 0 H LEU A 14 -4.997 -10.426 5.281 1.00 41.22 H new ATOM 0 HA LEU A 14 -7.485 -9.252 4.387 1.00 3.14 H new ATOM 0 HB2 LEU A 14 -5.001 -9.327 3.383 1.00 70.33 H new ATOM 0 HB3 LEU A 14 -5.551 -10.839 2.688 1.00 70.33 H new ATOM 0 HG LEU A 14 -6.886 -8.155 2.255 1.00 42.10 H new ATOM 0 HD11 LEU A 14 -5.903 -8.257 -0.023 1.00 54.20 H new ATOM 0 HD12 LEU A 14 -4.652 -8.194 1.242 1.00 54.20 H new ATOM 0 HD13 LEU A 14 -5.027 -9.736 0.435 1.00 54.20 H new ATOM 0 HD21 LEU A 14 -8.088 -9.279 0.415 1.00 63.20 H new ATOM 0 HD22 LEU A 14 -7.341 -10.825 0.883 1.00 63.20 H new ATOM 0 HD23 LEU A 14 -8.456 -10.001 1.999 1.00 63.20 H new ATOM 228 N GLU A 15 -7.007 -12.517 3.978 1.00 21.34 N ATOM 229 CA GLU A 15 -7.690 -13.785 3.668 1.00 3.23 C ATOM 230 C GLU A 15 -8.420 -14.383 4.888 1.00 60.10 C ATOM 231 O GLU A 15 -9.490 -14.977 4.749 1.00 53.22 O ATOM 232 CB GLU A 15 -6.677 -14.806 3.118 1.00 12.43 C ATOM 233 CG GLU A 15 -6.026 -14.387 1.800 1.00 0.34 C ATOM 234 CD GLU A 15 -4.993 -15.390 1.304 1.00 65.40 C ATOM 235 OE1 GLU A 15 -5.385 -16.502 0.891 1.00 5.41 O ATOM 236 OE2 GLU A 15 -3.785 -15.079 1.329 1.00 72.23 O ATOM 0 H GLU A 15 -6.001 -12.608 4.120 1.00 21.34 H new ATOM 0 HA GLU A 15 -8.447 -13.563 2.916 1.00 3.23 H new ATOM 0 HB2 GLU A 15 -5.897 -14.966 3.862 1.00 12.43 H new ATOM 0 HB3 GLU A 15 -7.181 -15.762 2.975 1.00 12.43 H new ATOM 0 HG2 GLU A 15 -6.799 -14.264 1.042 1.00 0.34 H new ATOM 0 HG3 GLU A 15 -5.549 -13.415 1.929 1.00 0.34 H new ATOM 243 N TRP A 16 -7.832 -14.241 6.072 1.00 2.12 N ATOM 244 CA TRP A 16 -8.403 -14.812 7.303 1.00 14.51 C ATOM 245 C TRP A 16 -9.152 -13.756 8.135 1.00 0.30 C ATOM 246 O TRP A 16 -10.248 -14.013 8.641 1.00 62.00 O ATOM 247 CB TRP A 16 -7.295 -15.431 8.170 1.00 43.41 C ATOM 248 CG TRP A 16 -6.504 -16.508 7.488 1.00 23.22 C ATOM 249 CD1 TRP A 16 -5.612 -16.350 6.468 1.00 42.04 C ATOM 250 CD2 TRP A 16 -6.510 -17.905 7.805 1.00 61.53 C ATOM 251 NE1 TRP A 16 -5.079 -17.565 6.117 1.00 25.11 N ATOM 252 CE2 TRP A 16 -5.611 -18.535 6.924 1.00 23.04 C ATOM 253 CE3 TRP A 16 -7.192 -18.684 8.744 1.00 74.40 C ATOM 254 CZ2 TRP A 16 -5.371 -19.905 6.960 1.00 75.44 C ATOM 255 CZ3 TRP A 16 -6.957 -20.043 8.775 1.00 60.33 C ATOM 256 CH2 TRP A 16 -6.055 -20.642 7.888 1.00 4.40 C ATOM 0 H TRP A 16 -6.958 -13.735 6.213 1.00 2.12 H new ATOM 0 HA TRP A 16 -9.114 -15.579 6.996 1.00 14.51 H new ATOM 0 HB2 TRP A 16 -6.614 -14.641 8.486 1.00 43.41 H new ATOM 0 HB3 TRP A 16 -7.745 -15.844 9.073 1.00 43.41 H new ATOM 0 HD1 TRP A 16 -5.362 -15.407 6.005 1.00 42.04 H new ATOM 0 HE1 TRP A 16 -4.397 -17.720 5.375 1.00 25.11 H new ATOM 0 HE3 TRP A 16 -7.890 -18.231 9.432 1.00 74.40 H new ATOM 0 HZ2 TRP A 16 -4.671 -20.369 6.281 1.00 75.44 H new ATOM 0 HZ3 TRP A 16 -7.478 -20.655 9.496 1.00 60.33 H new ATOM 0 HH2 TRP A 16 -5.895 -21.709 7.937 1.00 4.40 H new ATOM 267 N GLY A 17 -8.549 -12.574 8.275 1.00 74.54 N ATOM 268 CA GLY A 17 -9.082 -11.544 9.168 1.00 34.21 C ATOM 269 C GLY A 17 -10.299 -10.797 8.621 1.00 65.11 C ATOM 270 O GLY A 17 -11.355 -11.392 8.394 1.00 23.54 O ATOM 0 H GLY A 17 -7.696 -12.307 7.784 1.00 74.54 H new ATOM 0 HA2 GLY A 17 -9.353 -12.008 10.116 1.00 34.21 H new ATOM 0 HA3 GLY A 17 -8.294 -10.822 9.380 1.00 34.21 H new ATOM 274 N GLU A 18 -10.153 -9.487 8.422 1.00 32.41 N ATOM 275 CA GLU A 18 -11.270 -8.623 8.022 1.00 41.35 C ATOM 276 C GLU A 18 -10.864 -7.630 6.921 1.00 50.34 C ATOM 277 O GLU A 18 -9.940 -6.840 7.097 1.00 60.21 O ATOM 278 CB GLU A 18 -11.798 -7.850 9.241 1.00 5.52 C ATOM 279 CG GLU A 18 -12.563 -8.720 10.229 1.00 3.53 C ATOM 280 CD GLU A 18 -12.742 -8.053 11.586 1.00 71.54 C ATOM 281 OE1 GLU A 18 -11.832 -8.159 12.436 1.00 72.34 O ATOM 282 OE2 GLU A 18 -13.789 -7.411 11.805 1.00 51.54 O ATOM 0 H GLU A 18 -9.266 -8.996 8.532 1.00 32.41 H new ATOM 0 HA GLU A 18 -12.053 -9.266 7.621 1.00 41.35 H new ATOM 0 HB2 GLU A 18 -10.959 -7.382 9.756 1.00 5.52 H new ATOM 0 HB3 GLU A 18 -12.449 -7.046 8.897 1.00 5.52 H new ATOM 0 HG2 GLU A 18 -13.542 -8.958 9.814 1.00 3.53 H new ATOM 0 HG3 GLU A 18 -12.034 -9.664 10.360 1.00 3.53 H new ATOM 289 N PRO A 19 -11.577 -7.653 5.778 1.00 12.14 N ATOM 290 CA PRO A 19 -11.356 -6.714 4.647 1.00 22.41 C ATOM 291 C PRO A 19 -11.585 -5.216 4.985 1.00 12.53 C ATOM 292 O PRO A 19 -11.716 -4.388 4.079 1.00 32.25 O ATOM 293 CB PRO A 19 -12.390 -7.164 3.598 1.00 24.44 C ATOM 294 CG PRO A 19 -12.782 -8.553 3.986 1.00 25.33 C ATOM 295 CD PRO A 19 -12.631 -8.638 5.483 1.00 34.44 C ATOM 0 HA PRO A 19 -10.315 -6.758 4.327 1.00 22.41 H new ATOM 0 HB2 PRO A 19 -13.255 -6.501 3.591 1.00 24.44 H new ATOM 0 HB3 PRO A 19 -11.964 -7.143 2.595 1.00 24.44 H new ATOM 0 HG2 PRO A 19 -13.809 -8.764 3.687 1.00 25.33 H new ATOM 0 HG3 PRO A 19 -12.148 -9.288 3.490 1.00 25.33 H new ATOM 0 HD2 PRO A 19 -13.562 -8.395 5.995 1.00 34.44 H new ATOM 0 HD3 PRO A 19 -12.344 -9.640 5.801 1.00 34.44 H new ATOM 303 N ALA A 20 -11.613 -4.857 6.267 1.00 44.12 N ATOM 304 CA ALA A 20 -11.864 -3.469 6.683 1.00 72.31 C ATOM 305 C ALA A 20 -10.601 -2.588 6.576 1.00 62.33 C ATOM 306 O ALA A 20 -10.259 -1.855 7.508 1.00 63.32 O ATOM 307 CB ALA A 20 -12.414 -3.451 8.108 1.00 44.43 C ATOM 0 H ALA A 20 -11.465 -5.505 7.040 1.00 44.12 H new ATOM 0 HA ALA A 20 -12.602 -3.045 6.002 1.00 72.31 H new ATOM 0 HB1 ALA A 20 -12.599 -2.421 8.414 1.00 44.43 H new ATOM 0 HB2 ALA A 20 -13.347 -4.014 8.145 1.00 44.43 H new ATOM 0 HB3 ALA A 20 -11.689 -3.905 8.784 1.00 44.43 H new ATOM 313 N PHE A 21 -9.921 -2.650 5.431 1.00 65.41 N ATOM 314 CA PHE A 21 -8.714 -1.843 5.194 1.00 52.24 C ATOM 315 C PHE A 21 -8.476 -1.609 3.693 1.00 63.24 C ATOM 316 O PHE A 21 -8.964 -2.364 2.850 1.00 45.14 O ATOM 317 CB PHE A 21 -7.486 -2.507 5.831 1.00 52.11 C ATOM 318 CG PHE A 21 -7.185 -3.892 5.307 1.00 72.54 C ATOM 319 CD1 PHE A 21 -7.746 -5.010 5.906 1.00 13.41 C ATOM 320 CD2 PHE A 21 -6.340 -4.076 4.221 1.00 72.43 C ATOM 321 CE1 PHE A 21 -7.473 -6.278 5.431 1.00 43.24 C ATOM 322 CE2 PHE A 21 -6.066 -5.343 3.745 1.00 53.30 C ATOM 323 CZ PHE A 21 -6.633 -6.444 4.351 1.00 22.41 C ATOM 0 H PHE A 21 -10.183 -3.250 4.649 1.00 65.41 H new ATOM 0 HA PHE A 21 -8.872 -0.872 5.663 1.00 52.24 H new ATOM 0 HB2 PHE A 21 -6.616 -1.871 5.664 1.00 52.11 H new ATOM 0 HB3 PHE A 21 -7.637 -2.564 6.909 1.00 52.11 H new ATOM 0 HD1 PHE A 21 -8.404 -4.888 6.754 1.00 13.41 H new ATOM 0 HD2 PHE A 21 -5.891 -3.218 3.743 1.00 72.43 H new ATOM 0 HE1 PHE A 21 -7.918 -7.140 5.906 1.00 43.24 H new ATOM 0 HE2 PHE A 21 -5.408 -5.471 2.898 1.00 53.30 H new ATOM 0 HZ PHE A 21 -6.419 -7.435 3.980 1.00 22.41 H new ATOM 333 N THR A 22 -7.713 -0.565 3.368 1.00 12.10 N ATOM 334 CA THR A 22 -7.435 -0.202 1.967 1.00 45.30 C ATOM 335 C THR A 22 -5.924 -0.188 1.681 1.00 33.21 C ATOM 336 O THR A 22 -5.144 0.349 2.467 1.00 61.34 O ATOM 337 CB THR A 22 -8.023 1.191 1.627 1.00 33.33 C ATOM 338 OG1 THR A 22 -9.440 1.201 1.879 1.00 53.40 O ATOM 339 CG2 THR A 22 -7.763 1.570 0.170 1.00 52.42 C ATOM 0 H THR A 22 -7.273 0.049 4.053 1.00 12.10 H new ATOM 0 HA THR A 22 -7.909 -0.959 1.343 1.00 45.30 H new ATOM 0 HB THR A 22 -7.528 1.924 2.264 1.00 33.33 H new ATOM 0 HG1 THR A 22 -9.804 2.085 1.664 1.00 53.40 H new ATOM 0 HG21 THR A 22 -8.189 2.553 -0.032 1.00 52.42 H new ATOM 0 HG22 THR A 22 -6.689 1.596 -0.013 1.00 52.42 H new ATOM 0 HG23 THR A 22 -8.225 0.832 -0.486 1.00 52.42 H new ATOM 347 N ILE A 23 -5.514 -0.776 0.552 1.00 73.43 N ATOM 348 CA ILE A 23 -4.089 -0.827 0.175 1.00 34.04 C ATOM 349 C ILE A 23 -3.801 0.111 -1.014 1.00 24.40 C ATOM 350 O ILE A 23 -4.539 0.116 -2.003 1.00 3.00 O ATOM 351 CB ILE A 23 -3.628 -2.268 -0.207 1.00 70.20 C ATOM 352 CG1 ILE A 23 -4.121 -3.317 0.812 1.00 64.34 C ATOM 353 CG2 ILE A 23 -2.104 -2.322 -0.328 1.00 24.21 C ATOM 354 CD1 ILE A 23 -5.572 -3.724 0.629 1.00 72.24 C ATOM 0 H ILE A 23 -6.142 -1.222 -0.117 1.00 73.43 H new ATOM 0 HA ILE A 23 -3.530 -0.503 1.053 1.00 34.04 H new ATOM 0 HB ILE A 23 -4.073 -2.511 -1.172 1.00 70.20 H new ATOM 0 HG12 ILE A 23 -3.493 -4.205 0.736 1.00 64.34 H new ATOM 0 HG13 ILE A 23 -3.990 -2.920 1.819 1.00 64.34 H new ATOM 0 HG21 ILE A 23 -1.796 -3.333 -0.595 1.00 24.21 H new ATOM 0 HG22 ILE A 23 -1.775 -1.627 -1.100 1.00 24.21 H new ATOM 0 HG23 ILE A 23 -1.653 -2.045 0.625 1.00 24.21 H new ATOM 0 HD11 ILE A 23 -5.840 -4.463 1.384 1.00 72.24 H new ATOM 0 HD12 ILE A 23 -6.212 -2.848 0.736 1.00 72.24 H new ATOM 0 HD13 ILE A 23 -5.707 -4.153 -0.364 1.00 72.24 H new ATOM 366 N LEU A 24 -2.723 0.901 -0.923 1.00 44.22 N ATOM 367 CA LEU A 24 -2.385 1.876 -1.980 1.00 5.31 C ATOM 368 C LEU A 24 -1.025 1.588 -2.644 1.00 41.40 C ATOM 369 O LEU A 24 -0.005 1.419 -1.962 1.00 23.24 O ATOM 370 CB LEU A 24 -2.363 3.303 -1.412 1.00 54.10 C ATOM 371 CG LEU A 24 -3.655 3.774 -0.726 1.00 43.24 C ATOM 372 CD1 LEU A 24 -3.512 5.218 -0.246 1.00 24.22 C ATOM 373 CD2 LEU A 24 -4.850 3.632 -1.663 1.00 51.20 C ATOM 0 H LEU A 24 -2.072 0.888 -0.138 1.00 44.22 H new ATOM 0 HA LEU A 24 -3.161 1.781 -2.740 1.00 5.31 H new ATOM 0 HB2 LEU A 24 -1.547 3.374 -0.693 1.00 54.10 H new ATOM 0 HB3 LEU A 24 -2.134 3.993 -2.224 1.00 54.10 H new ATOM 0 HG LEU A 24 -3.830 3.140 0.143 1.00 43.24 H new ATOM 0 HD11 LEU A 24 -4.437 5.534 0.237 1.00 24.22 H new ATOM 0 HD12 LEU A 24 -2.689 5.285 0.466 1.00 24.22 H new ATOM 0 HD13 LEU A 24 -3.308 5.866 -1.098 1.00 24.22 H new ATOM 0 HD21 LEU A 24 -5.753 3.972 -1.155 1.00 51.20 H new ATOM 0 HD22 LEU A 24 -4.686 4.236 -2.555 1.00 51.20 H new ATOM 0 HD23 LEU A 24 -4.966 2.587 -1.949 1.00 51.20 H new ATOM 385 N ASP A 25 -1.022 1.559 -3.980 1.00 5.11 N ATOM 386 CA ASP A 25 0.216 1.487 -4.762 1.00 64.14 C ATOM 387 C ASP A 25 0.834 2.877 -4.949 1.00 14.11 C ATOM 388 O ASP A 25 0.498 3.593 -5.895 1.00 34.24 O ATOM 389 CB ASP A 25 -0.052 0.867 -6.138 1.00 1.50 C ATOM 390 CG ASP A 25 -0.197 -0.635 -6.083 1.00 52.33 C ATOM 391 OD1 ASP A 25 -1.320 -1.124 -5.837 1.00 72.15 O ATOM 392 OD2 ASP A 25 0.818 -1.334 -6.289 1.00 52.10 O ATOM 0 H ASP A 25 -1.870 1.585 -4.546 1.00 5.11 H new ATOM 0 HA ASP A 25 0.916 0.860 -4.209 1.00 64.14 H new ATOM 0 HB2 ASP A 25 -0.960 1.300 -6.556 1.00 1.50 H new ATOM 0 HB3 ASP A 25 0.764 1.125 -6.813 1.00 1.50 H new ATOM 397 N VAL A 26 1.742 3.258 -4.050 1.00 33.43 N ATOM 398 CA VAL A 26 2.394 4.567 -4.134 1.00 34.11 C ATOM 399 C VAL A 26 3.599 4.519 -5.079 1.00 42.12 C ATOM 400 O VAL A 26 4.179 5.551 -5.422 1.00 2.12 O ATOM 401 CB VAL A 26 2.832 5.072 -2.739 1.00 11.41 C ATOM 402 CG1 VAL A 26 1.616 5.206 -1.826 1.00 55.21 C ATOM 403 CG2 VAL A 26 3.886 4.150 -2.128 1.00 42.13 C ATOM 0 H VAL A 26 2.042 2.685 -3.261 1.00 33.43 H new ATOM 0 HA VAL A 26 1.662 5.268 -4.535 1.00 34.11 H new ATOM 0 HB VAL A 26 3.287 6.056 -2.851 1.00 11.41 H new ATOM 0 HG11 VAL A 26 1.934 5.562 -0.846 1.00 55.21 H new ATOM 0 HG12 VAL A 26 0.912 5.917 -2.259 1.00 55.21 H new ATOM 0 HG13 VAL A 26 1.132 4.235 -1.720 1.00 55.21 H new ATOM 0 HG21 VAL A 26 4.176 4.528 -1.148 1.00 42.13 H new ATOM 0 HG22 VAL A 26 3.474 3.146 -2.022 1.00 42.13 H new ATOM 0 HG23 VAL A 26 4.761 4.117 -2.777 1.00 42.13 H new ATOM 413 N ARG A 27 3.965 3.305 -5.495 1.00 50.32 N ATOM 414 CA ARG A 27 5.025 3.105 -6.487 1.00 23.15 C ATOM 415 C ARG A 27 4.711 3.847 -7.800 1.00 33.30 C ATOM 416 O ARG A 27 5.354 4.845 -8.121 1.00 34.21 O ATOM 417 CB ARG A 27 5.260 1.597 -6.730 1.00 53.22 C ATOM 418 CG ARG A 27 3.990 0.743 -6.740 1.00 23.42 C ATOM 419 CD ARG A 27 4.291 -0.734 -7.000 1.00 34.11 C ATOM 420 NE ARG A 27 5.116 -1.336 -5.959 1.00 4.34 N ATOM 421 CZ ARG A 27 5.733 -2.481 -6.086 1.00 12.00 C ATOM 422 NH1 ARG A 27 5.574 -3.207 -7.147 1.00 72.22 N ATOM 423 NH2 ARG A 27 6.487 -2.911 -5.131 1.00 73.40 N ATOM 0 H ARG A 27 3.541 2.441 -5.158 1.00 50.32 H new ATOM 0 HA ARG A 27 5.947 3.531 -6.091 1.00 23.15 H new ATOM 0 HB2 ARG A 27 5.772 1.473 -7.684 1.00 53.22 H new ATOM 0 HB3 ARG A 27 5.929 1.219 -5.957 1.00 53.22 H new ATOM 0 HG2 ARG A 27 3.478 0.845 -5.783 1.00 23.42 H new ATOM 0 HG3 ARG A 27 3.310 1.114 -7.507 1.00 23.42 H new ATOM 0 HD2 ARG A 27 3.352 -1.283 -7.076 1.00 34.11 H new ATOM 0 HD3 ARG A 27 4.797 -0.833 -7.960 1.00 34.11 H new ATOM 0 HE ARG A 27 5.218 -0.833 -5.078 1.00 4.34 H new ATOM 0 HH11 ARG A 27 4.961 -2.887 -7.897 1.00 72.22 H new ATOM 0 HH12 ARG A 27 6.062 -4.099 -7.233 1.00 72.22 H new ATOM 0 HH21 ARG A 27 6.599 -2.358 -4.281 1.00 73.40 H new ATOM 0 HH22 ARG A 27 6.971 -3.804 -5.226 1.00 73.40 H new ATOM 437 N ASP A 28 3.712 3.352 -8.528 1.00 10.43 N ATOM 438 CA ASP A 28 3.219 3.982 -9.760 1.00 25.34 C ATOM 439 C ASP A 28 2.192 3.063 -10.423 1.00 3.31 C ATOM 440 O ASP A 28 2.244 1.853 -10.238 1.00 32.44 O ATOM 441 CB ASP A 28 4.351 4.276 -10.754 1.00 72.33 C ATOM 442 CG ASP A 28 3.854 5.090 -11.933 1.00 23.04 C ATOM 443 OD1 ASP A 28 3.569 6.290 -11.751 1.00 65.55 O ATOM 444 OD2 ASP A 28 3.696 4.521 -13.032 1.00 21.02 O ATOM 0 H ASP A 28 3.215 2.496 -8.281 1.00 10.43 H new ATOM 0 HA ASP A 28 2.763 4.933 -9.485 1.00 25.34 H new ATOM 0 HB2 ASP A 28 5.151 4.817 -10.248 1.00 72.33 H new ATOM 0 HB3 ASP A 28 4.777 3.338 -11.111 1.00 72.33 H new ATOM 449 N ARG A 29 1.276 3.629 -11.203 1.00 4.43 N ATOM 450 CA ARG A 29 0.224 2.833 -11.853 1.00 21.01 C ATOM 451 C ARG A 29 0.794 1.888 -12.922 1.00 72.22 C ATOM 452 O ARG A 29 0.234 0.830 -13.174 1.00 42.12 O ATOM 453 CB ARG A 29 -0.878 3.708 -12.468 1.00 54.12 C ATOM 454 CG ARG A 29 -0.434 4.565 -13.645 1.00 65.23 C ATOM 455 CD ARG A 29 0.466 5.699 -13.203 1.00 3.15 C ATOM 456 NE ARG A 29 0.675 6.688 -14.262 1.00 1.32 N ATOM 457 CZ ARG A 29 1.327 7.812 -14.104 1.00 61.52 C ATOM 458 NH1 ARG A 29 1.986 8.044 -13.017 1.00 63.23 N ATOM 459 NH2 ARG A 29 1.363 8.677 -15.065 1.00 13.20 N ATOM 0 H ARG A 29 1.235 4.628 -11.403 1.00 4.43 H new ATOM 0 HA ARG A 29 -0.223 2.232 -11.061 1.00 21.01 H new ATOM 0 HB2 ARG A 29 -1.694 3.063 -12.794 1.00 54.12 H new ATOM 0 HB3 ARG A 29 -1.278 4.361 -11.692 1.00 54.12 H new ATOM 0 HG2 ARG A 29 0.092 3.944 -14.370 1.00 65.23 H new ATOM 0 HG3 ARG A 29 -1.310 4.971 -14.150 1.00 65.23 H new ATOM 0 HD2 ARG A 29 0.029 6.189 -12.333 1.00 3.15 H new ATOM 0 HD3 ARG A 29 1.429 5.295 -12.891 1.00 3.15 H new ATOM 0 HE ARG A 29 0.287 6.488 -15.184 1.00 1.32 H new ATOM 0 HH11 ARG A 29 2.002 7.348 -12.272 1.00 63.23 H new ATOM 0 HH12 ARG A 29 2.491 8.923 -12.904 1.00 63.23 H new ATOM 0 HH21 ARG A 29 0.884 8.483 -15.944 1.00 13.20 H new ATOM 0 HH22 ARG A 29 1.871 9.553 -14.944 1.00 13.20 H new ATOM 473 N SER A 30 1.908 2.263 -13.544 1.00 40.10 N ATOM 474 CA SER A 30 2.532 1.419 -14.570 1.00 54.20 C ATOM 475 C SER A 30 3.089 0.137 -13.938 1.00 71.04 C ATOM 476 O SER A 30 2.784 -0.975 -14.374 1.00 12.43 O ATOM 477 CB SER A 30 3.649 2.182 -15.291 1.00 72.44 C ATOM 478 OG SER A 30 4.783 2.363 -14.453 1.00 71.12 O ATOM 0 H SER A 30 2.398 3.139 -13.361 1.00 40.10 H new ATOM 0 HA SER A 30 1.771 1.148 -15.302 1.00 54.20 H new ATOM 0 HB2 SER A 30 3.942 1.637 -16.189 1.00 72.44 H new ATOM 0 HB3 SER A 30 3.276 3.154 -15.615 1.00 72.44 H new ATOM 0 HG SER A 30 4.620 3.109 -13.839 1.00 71.12 H new ATOM 484 N THR A 31 3.905 0.316 -12.901 1.00 4.21 N ATOM 485 CA THR A 31 4.412 -0.802 -12.092 1.00 72.15 C ATOM 486 C THR A 31 3.260 -1.541 -11.391 1.00 63.24 C ATOM 487 O THR A 31 3.270 -2.763 -11.277 1.00 0.41 O ATOM 488 CB THR A 31 5.418 -0.296 -11.026 1.00 53.42 C ATOM 489 OG1 THR A 31 6.512 0.376 -11.666 1.00 63.40 O ATOM 490 CG2 THR A 31 5.958 -1.444 -10.176 1.00 4.52 C ATOM 0 H THR A 31 4.234 1.232 -12.595 1.00 4.21 H new ATOM 0 HA THR A 31 4.919 -1.492 -12.767 1.00 72.15 H new ATOM 0 HB THR A 31 4.888 0.396 -10.371 1.00 53.42 H new ATOM 0 HG1 THR A 31 7.143 0.694 -10.987 1.00 63.40 H new ATOM 0 HG21 THR A 31 6.660 -1.053 -9.440 1.00 4.52 H new ATOM 0 HG22 THR A 31 5.132 -1.937 -9.664 1.00 4.52 H new ATOM 0 HG23 THR A 31 6.468 -2.163 -10.817 1.00 4.52 H new ATOM 498 N TYR A 32 2.275 -0.780 -10.927 1.00 41.13 N ATOM 499 CA TYR A 32 1.069 -1.340 -10.306 1.00 71.43 C ATOM 500 C TYR A 32 0.312 -2.256 -11.284 1.00 53.33 C ATOM 501 O TYR A 32 -0.100 -3.358 -10.927 1.00 20.12 O ATOM 502 CB TYR A 32 0.178 -0.185 -9.793 1.00 2.44 C ATOM 503 CG TYR A 32 -1.320 -0.396 -9.933 1.00 13.30 C ATOM 504 CD1 TYR A 32 -2.028 -1.165 -9.018 1.00 73.32 C ATOM 505 CD2 TYR A 32 -2.023 0.183 -10.985 1.00 50.41 C ATOM 506 CE1 TYR A 32 -3.391 -1.355 -9.146 1.00 3.44 C ATOM 507 CE2 TYR A 32 -3.385 -0.003 -11.117 1.00 75.20 C ATOM 508 CZ TYR A 32 -4.063 -0.774 -10.198 1.00 52.33 C ATOM 509 OH TYR A 32 -5.421 -0.962 -10.331 1.00 24.41 O ATOM 0 H TYR A 32 2.285 0.239 -10.968 1.00 41.13 H new ATOM 0 HA TYR A 32 1.356 -1.962 -9.458 1.00 71.43 H new ATOM 0 HB2 TYR A 32 0.406 -0.015 -8.741 1.00 2.44 H new ATOM 0 HB3 TYR A 32 0.450 0.724 -10.329 1.00 2.44 H new ATOM 0 HD1 TYR A 32 -1.504 -1.623 -8.192 1.00 73.32 H new ATOM 0 HD2 TYR A 32 -1.496 0.787 -11.709 1.00 50.41 H new ATOM 0 HE1 TYR A 32 -3.926 -1.956 -8.425 1.00 3.44 H new ATOM 0 HE2 TYR A 32 -3.917 0.454 -11.938 1.00 75.20 H new ATOM 0 HH TYR A 32 -5.741 -0.484 -11.124 1.00 24.41 H new ATOM 519 N ASN A 33 0.141 -1.800 -12.521 1.00 35.33 N ATOM 520 CA ASN A 33 -0.485 -2.616 -13.563 1.00 42.14 C ATOM 521 C ASN A 33 0.359 -3.868 -13.853 1.00 31.44 C ATOM 522 O ASN A 33 -0.173 -4.964 -13.967 1.00 5.11 O ATOM 523 CB ASN A 33 -0.688 -1.783 -14.837 1.00 25.02 C ATOM 524 CG ASN A 33 -1.797 -0.750 -14.681 1.00 13.22 C ATOM 525 OD1 ASN A 33 -2.808 -0.999 -14.032 1.00 52.50 O ATOM 526 ND2 ASN A 33 -1.613 0.421 -15.258 1.00 44.24 N ATOM 0 H ASN A 33 0.426 -0.870 -12.829 1.00 35.33 H new ATOM 0 HA ASN A 33 -1.461 -2.946 -13.209 1.00 42.14 H new ATOM 0 HB2 ASN A 33 0.244 -1.277 -15.090 1.00 25.02 H new ATOM 0 HB3 ASN A 33 -0.927 -2.446 -15.668 1.00 25.02 H new ATOM 0 HD21 ASN A 33 -2.322 1.149 -15.171 1.00 44.24 H new ATOM 0 HD22 ASN A 33 -0.762 0.599 -15.791 1.00 44.24 H new ATOM 533 N ASP A 34 1.676 -3.691 -13.952 1.00 33.55 N ATOM 534 CA ASP A 34 2.621 -4.801 -14.109 1.00 31.02 C ATOM 535 C ASP A 34 2.416 -5.860 -13.001 1.00 52.40 C ATOM 536 O ASP A 34 2.295 -7.058 -13.280 1.00 30.13 O ATOM 537 CB ASP A 34 4.047 -4.224 -14.051 1.00 60.25 C ATOM 538 CG ASP A 34 5.140 -5.223 -14.399 1.00 1.52 C ATOM 539 OD1 ASP A 34 5.398 -6.138 -13.599 1.00 53.23 O ATOM 540 OD2 ASP A 34 5.771 -5.071 -15.467 1.00 42.12 O ATOM 0 H ASP A 34 2.120 -2.773 -13.926 1.00 33.55 H new ATOM 0 HA ASP A 34 2.455 -5.297 -15.065 1.00 31.02 H new ATOM 0 HB2 ASP A 34 4.112 -3.378 -14.735 1.00 60.25 H new ATOM 0 HB3 ASP A 34 4.230 -3.838 -13.048 1.00 60.25 H new ATOM 545 N GLY A 35 2.316 -5.392 -11.756 1.00 73.43 N ATOM 546 CA GLY A 35 2.110 -6.283 -10.619 1.00 42.50 C ATOM 547 C GLY A 35 1.800 -5.533 -9.322 1.00 24.44 C ATOM 548 O GLY A 35 2.445 -4.533 -9.003 1.00 21.13 O ATOM 0 H GLY A 35 2.374 -4.403 -11.512 1.00 73.43 H new ATOM 0 HA2 GLY A 35 1.290 -6.965 -10.843 1.00 42.50 H new ATOM 0 HA3 GLY A 35 3.002 -6.893 -10.476 1.00 42.50 H new ATOM 552 N HIS A 36 0.808 -6.019 -8.572 1.00 20.25 N ATOM 553 CA HIS A 36 0.402 -5.389 -7.308 1.00 54.22 C ATOM 554 C HIS A 36 -0.364 -6.370 -6.408 1.00 73.34 C ATOM 555 O HIS A 36 -0.661 -7.498 -6.807 1.00 1.01 O ATOM 556 CB HIS A 36 -0.466 -4.152 -7.586 1.00 4.12 C ATOM 557 CG HIS A 36 -1.761 -4.451 -8.293 1.00 62.45 C ATOM 558 ND1 HIS A 36 -1.840 -4.691 -9.647 1.00 13.42 N ATOM 559 CD2 HIS A 36 -3.036 -4.518 -7.833 1.00 53.40 C ATOM 560 CE1 HIS A 36 -3.095 -4.886 -9.994 1.00 44.13 C ATOM 561 NE2 HIS A 36 -3.842 -4.788 -8.913 1.00 61.22 N ATOM 0 H HIS A 36 0.268 -6.849 -8.817 1.00 20.25 H new ATOM 0 HA HIS A 36 1.309 -5.087 -6.784 1.00 54.22 H new ATOM 0 HB2 HIS A 36 -0.688 -3.658 -6.640 1.00 4.12 H new ATOM 0 HB3 HIS A 36 0.108 -3.447 -8.187 1.00 4.12 H new ATOM 0 HD1 HIS A 36 -1.045 -4.714 -10.286 1.00 13.42 H new ATOM 0 HD2 HIS A 36 -3.357 -4.384 -6.810 1.00 53.40 H new ATOM 0 HE1 HIS A 36 -3.451 -5.091 -10.993 1.00 44.13 H new ATOM 570 N ILE A 37 -0.696 -5.927 -5.201 1.00 14.02 N ATOM 571 CA ILE A 37 -1.497 -6.722 -4.266 1.00 12.23 C ATOM 572 C ILE A 37 -2.954 -6.840 -4.747 1.00 0.44 C ATOM 573 O ILE A 37 -3.537 -5.872 -5.238 1.00 35.42 O ATOM 574 CB ILE A 37 -1.480 -6.092 -2.846 1.00 2.01 C ATOM 575 CG1 ILE A 37 -0.056 -6.126 -2.263 1.00 30.44 C ATOM 576 CG2 ILE A 37 -2.464 -6.804 -1.917 1.00 64.44 C ATOM 577 CD1 ILE A 37 0.061 -5.504 -0.886 1.00 3.51 C ATOM 0 H ILE A 37 -0.422 -5.013 -4.841 1.00 14.02 H new ATOM 0 HA ILE A 37 -1.053 -7.716 -4.224 1.00 12.23 H new ATOM 0 HB ILE A 37 -1.795 -5.052 -2.930 1.00 2.01 H new ATOM 0 HG12 ILE A 37 0.280 -7.162 -2.212 1.00 30.44 H new ATOM 0 HG13 ILE A 37 0.617 -5.605 -2.944 1.00 30.44 H new ATOM 0 HG21 ILE A 37 -2.431 -6.343 -0.930 1.00 64.44 H new ATOM 0 HG22 ILE A 37 -3.472 -6.722 -2.323 1.00 64.44 H new ATOM 0 HG23 ILE A 37 -2.191 -7.856 -1.835 1.00 64.44 H new ATOM 0 HD11 ILE A 37 1.094 -5.567 -0.545 1.00 3.51 H new ATOM 0 HD12 ILE A 37 -0.243 -4.458 -0.932 1.00 3.51 H new ATOM 0 HD13 ILE A 37 -0.584 -6.039 -0.189 1.00 3.51 H new ATOM 589 N MET A 38 -3.538 -8.029 -4.615 1.00 52.22 N ATOM 590 CA MET A 38 -4.941 -8.235 -4.985 1.00 21.24 C ATOM 591 C MET A 38 -5.873 -7.404 -4.090 1.00 12.23 C ATOM 592 O MET A 38 -5.946 -7.619 -2.880 1.00 44.12 O ATOM 593 CB MET A 38 -5.306 -9.722 -4.897 1.00 1.52 C ATOM 594 CG MET A 38 -6.769 -10.010 -5.210 1.00 64.21 C ATOM 595 SD MET A 38 -7.144 -11.772 -5.258 1.00 40.02 S ATOM 596 CE MET A 38 -6.158 -12.296 -6.661 1.00 35.25 C ATOM 0 H MET A 38 -3.068 -8.860 -4.257 1.00 52.22 H new ATOM 0 HA MET A 38 -5.071 -7.903 -6.015 1.00 21.24 H new ATOM 0 HB2 MET A 38 -4.678 -10.283 -5.589 1.00 1.52 H new ATOM 0 HB3 MET A 38 -5.079 -10.085 -3.894 1.00 1.52 H new ATOM 0 HG2 MET A 38 -7.397 -9.531 -4.459 1.00 64.21 H new ATOM 0 HG3 MET A 38 -7.024 -9.563 -6.171 1.00 64.21 H new ATOM 0 HE1 MET A 38 -6.560 -13.227 -7.060 1.00 35.25 H new ATOM 0 HE2 MET A 38 -6.187 -11.528 -7.433 1.00 35.25 H new ATOM 0 HE3 MET A 38 -5.127 -12.452 -6.343 1.00 35.25 H new ATOM 606 N GLY A 39 -6.582 -6.458 -4.699 1.00 73.55 N ATOM 607 CA GLY A 39 -7.443 -5.553 -3.944 1.00 0.43 C ATOM 608 C GLY A 39 -6.824 -4.171 -3.735 1.00 31.32 C ATOM 609 O GLY A 39 -7.474 -3.267 -3.204 1.00 11.34 O ATOM 0 H GLY A 39 -6.578 -6.298 -5.706 1.00 73.55 H new ATOM 0 HA2 GLY A 39 -8.393 -5.444 -4.467 1.00 0.43 H new ATOM 0 HA3 GLY A 39 -7.663 -5.996 -2.973 1.00 0.43 H new ATOM 613 N ALA A 40 -5.566 -4.007 -4.144 1.00 20.30 N ATOM 614 CA ALA A 40 -4.878 -2.710 -4.051 1.00 61.41 C ATOM 615 C ALA A 40 -5.314 -1.762 -5.182 1.00 21.40 C ATOM 616 O ALA A 40 -5.776 -2.206 -6.235 1.00 60.31 O ATOM 617 CB ALA A 40 -3.366 -2.910 -4.068 1.00 62.43 C ATOM 0 H ALA A 40 -4.998 -4.754 -4.544 1.00 20.30 H new ATOM 0 HA ALA A 40 -5.159 -2.246 -3.105 1.00 61.41 H new ATOM 0 HB1 ALA A 40 -2.870 -1.942 -3.999 1.00 62.43 H new ATOM 0 HB2 ALA A 40 -3.071 -3.530 -3.221 1.00 62.43 H new ATOM 0 HB3 ALA A 40 -3.074 -3.401 -4.996 1.00 62.43 H new ATOM 623 N MET A 41 -5.157 -0.454 -4.966 1.00 70.12 N ATOM 624 CA MET A 41 -5.644 0.548 -5.924 1.00 53.44 C ATOM 625 C MET A 41 -4.557 1.564 -6.324 1.00 62.20 C ATOM 626 O MET A 41 -3.658 1.883 -5.539 1.00 31.23 O ATOM 627 CB MET A 41 -6.878 1.261 -5.349 1.00 54.51 C ATOM 628 CG MET A 41 -6.717 1.721 -3.907 1.00 24.22 C ATOM 629 SD MET A 41 -8.269 2.288 -3.176 1.00 54.11 S ATOM 630 CE MET A 41 -8.682 3.671 -4.239 1.00 24.22 C ATOM 0 H MET A 41 -4.700 -0.063 -4.142 1.00 70.12 H new ATOM 0 HA MET A 41 -5.923 0.022 -6.837 1.00 53.44 H new ATOM 0 HB2 MET A 41 -7.107 2.126 -5.971 1.00 54.51 H new ATOM 0 HB3 MET A 41 -7.734 0.589 -5.411 1.00 54.51 H new ATOM 0 HG2 MET A 41 -6.318 0.900 -3.311 1.00 24.22 H new ATOM 0 HG3 MET A 41 -5.986 2.528 -3.867 1.00 24.22 H new ATOM 0 HE1 MET A 41 -9.332 4.362 -3.702 1.00 24.22 H new ATOM 0 HE2 MET A 41 -7.769 4.188 -4.535 1.00 24.22 H new ATOM 0 HE3 MET A 41 -9.196 3.306 -5.128 1.00 24.22 H new ATOM 640 N ALA A 42 -4.662 2.073 -7.556 1.00 72.12 N ATOM 641 CA ALA A 42 -3.652 2.976 -8.126 1.00 2.33 C ATOM 642 C ALA A 42 -3.701 4.382 -7.516 1.00 53.44 C ATOM 643 O ALA A 42 -4.602 5.172 -7.808 1.00 74.02 O ATOM 644 CB ALA A 42 -3.824 3.067 -9.637 1.00 70.04 C ATOM 0 H ALA A 42 -5.442 1.874 -8.183 1.00 72.12 H new ATOM 0 HA ALA A 42 -2.677 2.552 -7.884 1.00 2.33 H new ATOM 0 HB1 ALA A 42 -3.071 3.738 -10.049 1.00 70.04 H new ATOM 0 HB2 ALA A 42 -3.707 2.077 -10.077 1.00 70.04 H new ATOM 0 HB3 ALA A 42 -4.818 3.451 -9.868 1.00 70.04 H new ATOM 650 N MET A 43 -2.727 4.677 -6.665 1.00 30.35 N ATOM 651 CA MET A 43 -2.496 6.034 -6.159 1.00 32.41 C ATOM 652 C MET A 43 -1.002 6.348 -6.175 1.00 12.23 C ATOM 653 O MET A 43 -0.315 6.229 -5.158 1.00 31.21 O ATOM 654 CB MET A 43 -3.080 6.217 -4.750 1.00 55.11 C ATOM 655 CG MET A 43 -4.573 6.482 -4.757 1.00 12.15 C ATOM 656 SD MET A 43 -5.289 6.563 -3.108 1.00 54.52 S ATOM 657 CE MET A 43 -7.004 6.854 -3.523 1.00 14.42 C ATOM 0 H MET A 43 -2.071 3.985 -6.302 1.00 30.35 H new ATOM 0 HA MET A 43 -3.011 6.736 -6.815 1.00 32.41 H new ATOM 0 HB2 MET A 43 -2.878 5.323 -4.160 1.00 55.11 H new ATOM 0 HB3 MET A 43 -2.572 7.046 -4.257 1.00 55.11 H new ATOM 0 HG2 MET A 43 -4.766 7.421 -5.276 1.00 12.15 H new ATOM 0 HG3 MET A 43 -5.072 5.696 -5.324 1.00 12.15 H new ATOM 0 HE1 MET A 43 -7.323 7.808 -3.103 1.00 14.42 H new ATOM 0 HE2 MET A 43 -7.117 6.878 -4.607 1.00 14.42 H new ATOM 0 HE3 MET A 43 -7.619 6.053 -3.112 1.00 14.42 H new ATOM 667 N PRO A 44 -0.474 6.741 -7.348 1.00 23.32 N ATOM 668 CA PRO A 44 0.958 6.996 -7.518 1.00 30.43 C ATOM 669 C PRO A 44 1.425 8.127 -6.606 1.00 4.23 C ATOM 670 O PRO A 44 0.722 9.126 -6.441 1.00 60.03 O ATOM 671 CB PRO A 44 1.091 7.385 -9.004 1.00 22.01 C ATOM 672 CG PRO A 44 -0.170 6.904 -9.644 1.00 30.54 C ATOM 673 CD PRO A 44 -1.230 7.005 -8.583 1.00 51.22 C ATOM 0 HA PRO A 44 1.573 6.135 -7.255 1.00 30.43 H new ATOM 0 HB2 PRO A 44 1.207 8.462 -9.121 1.00 22.01 H new ATOM 0 HB3 PRO A 44 1.966 6.919 -9.457 1.00 22.01 H new ATOM 0 HG2 PRO A 44 -0.425 7.513 -10.511 1.00 30.54 H new ATOM 0 HG3 PRO A 44 -0.064 5.877 -9.995 1.00 30.54 H new ATOM 0 HD2 PRO A 44 -1.698 7.990 -8.569 1.00 51.22 H new ATOM 0 HD3 PRO A 44 -2.026 6.276 -8.735 1.00 51.22 H new ATOM 681 N ILE A 45 2.607 7.969 -6.022 1.00 11.15 N ATOM 682 CA ILE A 45 3.147 8.937 -5.063 1.00 14.00 C ATOM 683 C ILE A 45 3.023 10.392 -5.571 1.00 40.11 C ATOM 684 O ILE A 45 2.989 11.338 -4.784 1.00 31.22 O ATOM 685 CB ILE A 45 4.616 8.589 -4.724 1.00 34.00 C ATOM 686 CG1 ILE A 45 5.073 9.307 -3.445 1.00 25.31 C ATOM 687 CG2 ILE A 45 5.544 8.913 -5.896 1.00 13.04 C ATOM 688 CD1 ILE A 45 6.339 8.724 -2.852 1.00 35.21 C ATOM 0 H ILE A 45 3.219 7.172 -6.196 1.00 11.15 H new ATOM 0 HA ILE A 45 2.550 8.871 -4.153 1.00 14.00 H new ATOM 0 HB ILE A 45 4.670 7.516 -4.543 1.00 34.00 H new ATOM 0 HG12 ILE A 45 5.236 10.362 -3.667 1.00 25.31 H new ATOM 0 HG13 ILE A 45 4.276 9.257 -2.703 1.00 25.31 H new ATOM 0 HG21 ILE A 45 6.570 8.658 -5.629 1.00 13.04 H new ATOM 0 HG22 ILE A 45 5.242 8.335 -6.770 1.00 13.04 H new ATOM 0 HG23 ILE A 45 5.482 9.977 -6.126 1.00 13.04 H new ATOM 0 HD11 ILE A 45 6.607 9.276 -1.951 1.00 35.21 H new ATOM 0 HD12 ILE A 45 6.174 7.677 -2.600 1.00 35.21 H new ATOM 0 HD13 ILE A 45 7.149 8.799 -3.578 1.00 35.21 H new ATOM 700 N GLU A 46 2.945 10.553 -6.894 1.00 51.03 N ATOM 701 CA GLU A 46 2.718 11.865 -7.520 1.00 10.14 C ATOM 702 C GLU A 46 1.378 12.489 -7.068 1.00 53.24 C ATOM 703 O GLU A 46 1.332 13.634 -6.615 1.00 34.05 O ATOM 704 CB GLU A 46 2.692 11.711 -9.051 1.00 62.22 C ATOM 705 CG GLU A 46 3.715 10.723 -9.611 1.00 63.10 C ATOM 706 CD GLU A 46 3.597 10.554 -11.118 1.00 61.33 C ATOM 707 OE1 GLU A 46 2.487 10.248 -11.598 1.00 12.35 O ATOM 708 OE2 GLU A 46 4.605 10.727 -11.831 1.00 31.34 O ATOM 0 H GLU A 46 3.036 9.786 -7.560 1.00 51.03 H new ATOM 0 HA GLU A 46 3.532 12.521 -7.211 1.00 10.14 H new ATOM 0 HB2 GLU A 46 1.695 11.391 -9.353 1.00 62.22 H new ATOM 0 HB3 GLU A 46 2.865 12.687 -9.504 1.00 62.22 H new ATOM 0 HG2 GLU A 46 4.720 11.067 -9.365 1.00 63.10 H new ATOM 0 HG3 GLU A 46 3.582 9.755 -9.129 1.00 63.10 H new ATOM 715 N ASP A 47 0.297 11.708 -7.180 1.00 20.03 N ATOM 716 CA ASP A 47 -1.067 12.202 -6.917 1.00 24.22 C ATOM 717 C ASP A 47 -1.631 11.642 -5.595 1.00 24.42 C ATOM 718 O ASP A 47 -2.746 11.971 -5.202 1.00 65.04 O ATOM 719 CB ASP A 47 -1.989 11.803 -8.084 1.00 72.43 C ATOM 720 CG ASP A 47 -3.038 12.862 -8.395 1.00 50.50 C ATOM 721 OD1 ASP A 47 -4.101 12.869 -7.746 1.00 33.33 O ATOM 722 OD2 ASP A 47 -2.802 13.691 -9.300 1.00 34.41 O ATOM 0 H ASP A 47 0.337 10.726 -7.452 1.00 20.03 H new ATOM 0 HA ASP A 47 -1.023 13.287 -6.827 1.00 24.22 H new ATOM 0 HB2 ASP A 47 -1.385 11.624 -8.974 1.00 72.43 H new ATOM 0 HB3 ASP A 47 -2.487 10.864 -7.843 1.00 72.43 H new ATOM 727 N LEU A 48 -0.845 10.799 -4.924 1.00 3.23 N ATOM 728 CA LEU A 48 -1.266 10.099 -3.693 1.00 55.23 C ATOM 729 C LEU A 48 -2.097 10.984 -2.739 1.00 15.34 C ATOM 730 O LEU A 48 -3.216 10.626 -2.373 1.00 20.23 O ATOM 731 CB LEU A 48 -0.025 9.580 -2.959 1.00 11.34 C ATOM 732 CG LEU A 48 -0.286 8.896 -1.607 1.00 61.31 C ATOM 733 CD1 LEU A 48 -1.115 7.625 -1.789 1.00 11.11 C ATOM 734 CD2 LEU A 48 1.034 8.602 -0.895 1.00 2.43 C ATOM 0 H LEU A 48 0.107 10.576 -5.214 1.00 3.23 H new ATOM 0 HA LEU A 48 -1.912 9.276 -3.999 1.00 55.23 H new ATOM 0 HB2 LEU A 48 0.490 8.873 -3.609 1.00 11.34 H new ATOM 0 HB3 LEU A 48 0.655 10.417 -2.797 1.00 11.34 H new ATOM 0 HG LEU A 48 -0.863 9.577 -0.981 1.00 61.31 H new ATOM 0 HD11 LEU A 48 -1.286 7.160 -0.818 1.00 11.11 H new ATOM 0 HD12 LEU A 48 -2.073 7.877 -2.244 1.00 11.11 H new ATOM 0 HD13 LEU A 48 -0.578 6.930 -2.435 1.00 11.11 H new ATOM 0 HD21 LEU A 48 0.832 8.118 0.060 1.00 2.43 H new ATOM 0 HD22 LEU A 48 1.643 7.943 -1.514 1.00 2.43 H new ATOM 0 HD23 LEU A 48 1.570 9.535 -0.723 1.00 2.43 H new ATOM 746 N VAL A 49 -1.545 12.130 -2.338 1.00 21.41 N ATOM 747 CA VAL A 49 -2.223 13.033 -1.393 1.00 44.23 C ATOM 748 C VAL A 49 -3.619 13.447 -1.897 1.00 1.40 C ATOM 749 O VAL A 49 -4.616 13.300 -1.187 1.00 23.40 O ATOM 750 CB VAL A 49 -1.374 14.306 -1.133 1.00 51.35 C ATOM 751 CG1 VAL A 49 -2.091 15.265 -0.181 1.00 11.51 C ATOM 752 CG2 VAL A 49 0.006 13.931 -0.589 1.00 62.10 C ATOM 0 H VAL A 49 -0.631 12.459 -2.650 1.00 21.41 H new ATOM 0 HA VAL A 49 -2.341 12.480 -0.461 1.00 44.23 H new ATOM 0 HB VAL A 49 -1.240 14.821 -2.084 1.00 51.35 H new ATOM 0 HG11 VAL A 49 -1.472 16.147 -0.018 1.00 11.51 H new ATOM 0 HG12 VAL A 49 -3.044 15.566 -0.617 1.00 11.51 H new ATOM 0 HG13 VAL A 49 -2.270 14.766 0.772 1.00 11.51 H new ATOM 0 HG21 VAL A 49 0.586 14.837 -0.413 1.00 62.10 H new ATOM 0 HG22 VAL A 49 -0.108 13.386 0.348 1.00 62.10 H new ATOM 0 HG23 VAL A 49 0.524 13.303 -1.314 1.00 62.10 H new ATOM 762 N ASP A 50 -3.675 13.954 -3.125 1.00 25.51 N ATOM 763 CA ASP A 50 -4.935 14.385 -3.746 1.00 11.51 C ATOM 764 C ASP A 50 -5.927 13.214 -3.893 1.00 60.13 C ATOM 765 O ASP A 50 -7.086 13.308 -3.484 1.00 0.24 O ATOM 766 CB ASP A 50 -4.646 15.006 -5.118 1.00 22.20 C ATOM 767 CG ASP A 50 -3.672 16.168 -5.029 1.00 43.01 C ATOM 768 OD1 ASP A 50 -2.452 15.921 -4.912 1.00 60.50 O ATOM 769 OD2 ASP A 50 -4.117 17.336 -5.068 1.00 14.35 O ATOM 0 H ASP A 50 -2.856 14.080 -3.720 1.00 25.51 H new ATOM 0 HA ASP A 50 -5.397 15.128 -3.095 1.00 11.51 H new ATOM 0 HB2 ASP A 50 -4.239 14.243 -5.782 1.00 22.20 H new ATOM 0 HB3 ASP A 50 -5.580 15.350 -5.563 1.00 22.20 H new ATOM 774 N ARG A 51 -5.455 12.116 -4.482 1.00 10.20 N ATOM 775 CA ARG A 51 -6.261 10.897 -4.651 1.00 70.21 C ATOM 776 C ARG A 51 -6.867 10.428 -3.319 1.00 14.22 C ATOM 777 O ARG A 51 -8.085 10.274 -3.185 1.00 23.33 O ATOM 778 CB ARG A 51 -5.380 9.765 -5.203 1.00 12.12 C ATOM 779 CG ARG A 51 -4.875 9.978 -6.625 1.00 12.31 C ATOM 780 CD ARG A 51 -5.984 9.813 -7.661 1.00 63.04 C ATOM 781 NE ARG A 51 -6.106 10.983 -8.525 1.00 53.51 N ATOM 782 CZ ARG A 51 -6.788 11.009 -9.633 1.00 11.15 C ATOM 783 NH1 ARG A 51 -7.430 9.962 -10.040 1.00 2.41 N ATOM 784 NH2 ARG A 51 -6.831 12.094 -10.333 1.00 23.52 N ATOM 0 H ARG A 51 -4.509 12.041 -4.855 1.00 10.20 H new ATOM 0 HA ARG A 51 -7.069 11.134 -5.343 1.00 70.21 H new ATOM 0 HB2 ARG A 51 -4.521 9.639 -4.544 1.00 12.12 H new ATOM 0 HB3 ARG A 51 -5.947 8.835 -5.170 1.00 12.12 H new ATOM 0 HG2 ARG A 51 -4.446 10.976 -6.711 1.00 12.31 H new ATOM 0 HG3 ARG A 51 -4.075 9.268 -6.835 1.00 12.31 H new ATOM 0 HD2 ARG A 51 -5.782 8.932 -8.270 1.00 63.04 H new ATOM 0 HD3 ARG A 51 -6.932 9.638 -7.152 1.00 63.04 H new ATOM 0 HE ARG A 51 -5.625 11.837 -8.242 1.00 53.51 H new ATOM 0 HH11 ARG A 51 -7.405 9.103 -9.491 1.00 2.41 H new ATOM 0 HH12 ARG A 51 -7.961 9.996 -10.910 1.00 2.41 H new ATOM 0 HH21 ARG A 51 -6.332 12.925 -10.016 1.00 23.52 H new ATOM 0 HH22 ARG A 51 -7.364 12.119 -11.202 1.00 23.52 H new ATOM 798 N ALA A 52 -5.999 10.216 -2.340 1.00 15.34 N ATOM 799 CA ALA A 52 -6.399 9.663 -1.051 1.00 64.32 C ATOM 800 C ALA A 52 -7.316 10.615 -0.278 1.00 72.34 C ATOM 801 O ALA A 52 -8.398 10.228 0.148 1.00 30.32 O ATOM 802 CB ALA A 52 -5.165 9.311 -0.225 1.00 4.43 C ATOM 0 H ALA A 52 -5.003 10.421 -2.414 1.00 15.34 H new ATOM 0 HA ALA A 52 -6.970 8.754 -1.242 1.00 64.32 H new ATOM 0 HB1 ALA A 52 -5.475 8.899 0.735 1.00 4.43 H new ATOM 0 HB2 ALA A 52 -4.567 8.573 -0.760 1.00 4.43 H new ATOM 0 HB3 ALA A 52 -4.570 10.209 -0.059 1.00 4.43 H new ATOM 808 N SER A 53 -6.897 11.868 -0.112 1.00 12.42 N ATOM 809 CA SER A 53 -7.690 12.841 0.658 1.00 3.54 C ATOM 810 C SER A 53 -9.071 13.077 0.025 1.00 52.14 C ATOM 811 O SER A 53 -9.981 13.600 0.667 1.00 72.41 O ATOM 812 CB SER A 53 -6.940 14.172 0.798 1.00 30.32 C ATOM 813 OG SER A 53 -7.587 15.027 1.734 1.00 13.12 O ATOM 0 H SER A 53 -6.025 12.236 -0.492 1.00 12.42 H new ATOM 0 HA SER A 53 -7.842 12.417 1.651 1.00 3.54 H new ATOM 0 HB2 SER A 53 -5.916 13.984 1.120 1.00 30.32 H new ATOM 0 HB3 SER A 53 -6.884 14.666 -0.172 1.00 30.32 H new ATOM 0 HG SER A 53 -8.553 14.866 1.711 1.00 13.12 H new ATOM 819 N SER A 54 -9.219 12.688 -1.241 1.00 21.22 N ATOM 820 CA SER A 54 -10.506 12.789 -1.943 1.00 74.30 C ATOM 821 C SER A 54 -11.401 11.565 -1.675 1.00 12.12 C ATOM 822 O SER A 54 -12.475 11.681 -1.083 1.00 1.10 O ATOM 823 CB SER A 54 -10.281 12.934 -3.460 1.00 72.11 C ATOM 824 OG SER A 54 -11.509 12.972 -4.172 1.00 63.42 O ATOM 0 H SER A 54 -8.464 12.299 -1.806 1.00 21.22 H new ATOM 0 HA SER A 54 -11.013 13.675 -1.560 1.00 74.30 H new ATOM 0 HB2 SER A 54 -9.717 13.845 -3.659 1.00 72.11 H new ATOM 0 HB3 SER A 54 -9.677 12.101 -3.820 1.00 72.11 H new ATOM 0 HG SER A 54 -11.329 13.066 -5.131 1.00 63.42 H new ATOM 830 N SER A 55 -10.944 10.386 -2.096 1.00 11.10 N ATOM 831 CA SER A 55 -11.788 9.173 -2.071 1.00 61.40 C ATOM 832 C SER A 55 -11.568 8.307 -0.819 1.00 40.11 C ATOM 833 O SER A 55 -12.304 7.349 -0.591 1.00 51.32 O ATOM 834 CB SER A 55 -11.537 8.330 -3.332 1.00 20.14 C ATOM 835 OG SER A 55 -11.809 9.077 -4.513 1.00 13.32 O ATOM 0 H SER A 55 -10.002 10.237 -2.458 1.00 11.10 H new ATOM 0 HA SER A 55 -12.822 9.516 -2.044 1.00 61.40 H new ATOM 0 HB2 SER A 55 -10.502 7.989 -3.345 1.00 20.14 H new ATOM 0 HB3 SER A 55 -12.166 7.440 -3.309 1.00 20.14 H new ATOM 0 HG SER A 55 -11.640 8.518 -5.300 1.00 13.32 H new ATOM 841 N LEU A 56 -10.567 8.636 -0.015 1.00 12.00 N ATOM 842 CA LEU A 56 -10.268 7.872 1.207 1.00 10.51 C ATOM 843 C LEU A 56 -10.436 8.729 2.464 1.00 21.35 C ATOM 844 O LEU A 56 -10.091 9.913 2.476 1.00 53.42 O ATOM 845 CB LEU A 56 -8.834 7.323 1.152 1.00 71.13 C ATOM 846 CG LEU A 56 -8.591 6.212 0.120 1.00 14.31 C ATOM 847 CD1 LEU A 56 -7.107 5.865 0.042 1.00 35.12 C ATOM 848 CD2 LEU A 56 -9.410 4.976 0.472 1.00 54.13 C ATOM 0 H LEU A 56 -9.943 9.426 -0.179 1.00 12.00 H new ATOM 0 HA LEU A 56 -10.978 7.046 1.258 1.00 10.51 H new ATOM 0 HB2 LEU A 56 -8.155 8.149 0.938 1.00 71.13 H new ATOM 0 HB3 LEU A 56 -8.571 6.942 2.139 1.00 71.13 H new ATOM 0 HG LEU A 56 -8.909 6.574 -0.858 1.00 14.31 H new ATOM 0 HD11 LEU A 56 -6.956 5.076 -0.695 1.00 35.12 H new ATOM 0 HD12 LEU A 56 -6.542 6.749 -0.252 1.00 35.12 H new ATOM 0 HD13 LEU A 56 -6.762 5.522 1.017 1.00 35.12 H new ATOM 0 HD21 LEU A 56 -9.228 4.196 -0.268 1.00 54.13 H new ATOM 0 HD22 LEU A 56 -9.119 4.615 1.458 1.00 54.13 H new ATOM 0 HD23 LEU A 56 -10.470 5.231 0.477 1.00 54.13 H new ATOM 860 N GLU A 57 -10.975 8.133 3.525 1.00 10.01 N ATOM 861 CA GLU A 57 -11.079 8.824 4.808 1.00 32.25 C ATOM 862 C GLU A 57 -9.723 8.969 5.480 1.00 53.14 C ATOM 863 O GLU A 57 -8.734 8.368 5.073 1.00 1.33 O ATOM 864 CB GLU A 57 -12.008 8.090 5.773 1.00 61.31 C ATOM 865 CG GLU A 57 -13.453 8.044 5.322 1.00 41.13 C ATOM 866 CD GLU A 57 -13.842 6.698 4.721 1.00 73.13 C ATOM 867 OE1 GLU A 57 -13.108 6.194 3.844 1.00 23.41 O ATOM 868 OE2 GLU A 57 -14.868 6.123 5.141 1.00 61.30 O ATOM 0 H GLU A 57 -11.343 7.182 3.523 1.00 10.01 H new ATOM 0 HA GLU A 57 -11.487 9.810 4.583 1.00 32.25 H new ATOM 0 HB2 GLU A 57 -11.646 7.070 5.904 1.00 61.31 H new ATOM 0 HB3 GLU A 57 -11.958 8.574 6.748 1.00 61.31 H new ATOM 0 HG2 GLU A 57 -14.101 8.258 6.172 1.00 41.13 H new ATOM 0 HG3 GLU A 57 -13.624 8.829 4.585 1.00 41.13 H new ATOM 875 N LYS A 58 -9.710 9.734 6.550 1.00 43.35 N ATOM 876 CA LYS A 58 -8.489 9.944 7.337 1.00 45.13 C ATOM 877 C LYS A 58 -8.379 8.867 8.426 1.00 2.13 C ATOM 878 O LYS A 58 -7.286 8.462 8.826 1.00 12.14 O ATOM 879 CB LYS A 58 -8.490 11.354 7.947 1.00 63.10 C ATOM 880 CG LYS A 58 -8.558 12.472 6.903 1.00 32.51 C ATOM 881 CD LYS A 58 -7.248 12.638 6.140 1.00 61.32 C ATOM 882 CE LYS A 58 -7.408 13.532 4.915 1.00 34.23 C ATOM 883 NZ LYS A 58 -7.893 14.892 5.266 1.00 71.05 N ATOM 0 H LYS A 58 -10.529 10.228 6.905 1.00 43.35 H new ATOM 0 HA LYS A 58 -7.619 9.860 6.685 1.00 45.13 H new ATOM 0 HB2 LYS A 58 -9.339 11.448 8.624 1.00 63.10 H new ATOM 0 HB3 LYS A 58 -7.589 11.482 8.547 1.00 63.10 H new ATOM 0 HG2 LYS A 58 -9.361 12.258 6.198 1.00 32.51 H new ATOM 0 HG3 LYS A 58 -8.809 13.411 7.396 1.00 32.51 H new ATOM 0 HD2 LYS A 58 -6.494 13.063 6.803 1.00 61.32 H new ATOM 0 HD3 LYS A 58 -6.883 11.659 5.829 1.00 61.32 H new ATOM 0 HE2 LYS A 58 -6.451 13.612 4.400 1.00 34.23 H new ATOM 0 HE3 LYS A 58 -8.107 13.068 4.219 1.00 34.23 H new ATOM 0 HZ1 LYS A 58 -7.889 15.492 4.417 1.00 71.05 H new ATOM 0 HZ2 LYS A 58 -8.861 14.829 5.641 1.00 71.05 H new ATOM 0 HZ3 LYS A 58 -7.269 15.308 5.987 1.00 71.05 H new ATOM 897 N SER A 59 -9.534 8.394 8.883 1.00 12.04 N ATOM 898 CA SER A 59 -9.602 7.294 9.854 1.00 64.31 C ATOM 899 C SER A 59 -9.503 5.930 9.155 1.00 41.33 C ATOM 900 O SER A 59 -9.321 4.902 9.805 1.00 20.22 O ATOM 901 CB SER A 59 -10.906 7.366 10.657 1.00 12.34 C ATOM 902 OG SER A 59 -10.996 6.301 11.596 1.00 11.51 O ATOM 0 H SER A 59 -10.444 8.754 8.597 1.00 12.04 H new ATOM 0 HA SER A 59 -8.755 7.400 10.532 1.00 64.31 H new ATOM 0 HB2 SER A 59 -10.961 8.320 11.181 1.00 12.34 H new ATOM 0 HB3 SER A 59 -11.757 7.326 9.977 1.00 12.34 H new ATOM 0 HG SER A 59 -10.499 5.526 11.260 1.00 11.51 H new ATOM 908 N ARG A 60 -9.622 5.934 7.828 1.00 42.31 N ATOM 909 CA ARG A 60 -9.541 4.709 7.023 1.00 51.31 C ATOM 910 C ARG A 60 -8.187 4.000 7.218 1.00 64.32 C ATOM 911 O ARG A 60 -7.134 4.603 7.018 1.00 61.31 O ATOM 912 CB ARG A 60 -9.745 5.060 5.537 1.00 23.33 C ATOM 913 CG ARG A 60 -9.685 3.866 4.588 1.00 52.11 C ATOM 914 CD ARG A 60 -10.817 2.876 4.841 1.00 75.34 C ATOM 915 NE ARG A 60 -12.139 3.474 4.636 1.00 71.02 N ATOM 916 CZ ARG A 60 -13.268 2.846 4.841 1.00 52.24 C ATOM 917 NH1 ARG A 60 -13.278 1.641 5.319 1.00 1.24 N ATOM 918 NH2 ARG A 60 -14.388 3.452 4.603 1.00 23.11 N ATOM 0 H ARG A 60 -9.777 6.780 7.280 1.00 42.31 H new ATOM 0 HA ARG A 60 -10.325 4.026 7.352 1.00 51.31 H new ATOM 0 HB2 ARG A 60 -10.712 5.550 5.422 1.00 23.33 H new ATOM 0 HB3 ARG A 60 -8.984 5.782 5.240 1.00 23.33 H new ATOM 0 HG2 ARG A 60 -9.736 4.219 3.558 1.00 52.11 H new ATOM 0 HG3 ARG A 60 -8.727 3.359 4.704 1.00 52.11 H new ATOM 0 HD2 ARG A 60 -10.702 2.019 4.177 1.00 75.34 H new ATOM 0 HD3 ARG A 60 -10.746 2.500 5.862 1.00 75.34 H new ATOM 0 HE ARG A 60 -12.182 4.441 4.313 1.00 71.02 H new ATOM 0 HH11 ARG A 60 -12.399 1.173 5.540 1.00 1.24 H new ATOM 0 HH12 ARG A 60 -14.165 1.161 5.475 1.00 1.24 H new ATOM 0 HH21 ARG A 60 -14.385 4.412 4.258 1.00 23.11 H new ATOM 0 HH22 ARG A 60 -15.273 2.969 4.760 1.00 23.11 H new ATOM 932 N ASP A 61 -8.218 2.727 7.619 1.00 52.14 N ATOM 933 CA ASP A 61 -6.988 1.941 7.789 1.00 61.14 C ATOM 934 C ASP A 61 -6.279 1.721 6.442 1.00 22.41 C ATOM 935 O ASP A 61 -6.631 0.822 5.676 1.00 43.41 O ATOM 936 CB ASP A 61 -7.301 0.597 8.457 1.00 2.22 C ATOM 937 CG ASP A 61 -7.917 0.780 9.830 1.00 50.51 C ATOM 938 OD1 ASP A 61 -9.154 0.924 9.912 1.00 3.33 O ATOM 939 OD2 ASP A 61 -7.166 0.796 10.832 1.00 54.31 O ATOM 0 H ASP A 61 -9.076 2.218 7.832 1.00 52.14 H new ATOM 0 HA ASP A 61 -6.314 2.504 8.435 1.00 61.14 H new ATOM 0 HB2 ASP A 61 -7.983 0.028 7.826 1.00 2.22 H new ATOM 0 HB3 ASP A 61 -6.385 0.013 8.545 1.00 2.22 H new ATOM 944 N ILE A 62 -5.293 2.567 6.156 1.00 71.43 N ATOM 945 CA ILE A 62 -4.577 2.525 4.881 1.00 71.03 C ATOM 946 C ILE A 62 -3.194 1.869 5.010 1.00 5.25 C ATOM 947 O ILE A 62 -2.359 2.281 5.819 1.00 4.33 O ATOM 948 CB ILE A 62 -4.416 3.952 4.299 1.00 12.03 C ATOM 949 CG1 ILE A 62 -5.800 4.569 4.026 1.00 35.41 C ATOM 950 CG2 ILE A 62 -3.566 3.926 3.028 1.00 44.42 C ATOM 951 CD1 ILE A 62 -5.752 5.994 3.519 1.00 43.22 C ATOM 0 H ILE A 62 -4.969 3.295 6.793 1.00 71.43 H new ATOM 0 HA ILE A 62 -5.177 1.916 4.205 1.00 71.03 H new ATOM 0 HB ILE A 62 -3.899 4.573 5.031 1.00 12.03 H new ATOM 0 HG12 ILE A 62 -6.323 3.952 3.295 1.00 35.41 H new ATOM 0 HG13 ILE A 62 -6.386 4.541 4.945 1.00 35.41 H new ATOM 0 HG21 ILE A 62 -3.466 4.938 2.636 1.00 44.42 H new ATOM 0 HG22 ILE A 62 -2.578 3.527 3.259 1.00 44.42 H new ATOM 0 HG23 ILE A 62 -4.047 3.294 2.281 1.00 44.42 H new ATOM 0 HD11 ILE A 62 -6.767 6.355 3.351 1.00 43.22 H new ATOM 0 HD12 ILE A 62 -5.259 6.626 4.257 1.00 43.22 H new ATOM 0 HD13 ILE A 62 -5.195 6.028 2.582 1.00 43.22 H new ATOM 963 N TYR A 63 -2.966 0.841 4.202 1.00 61.22 N ATOM 964 CA TYR A 63 -1.670 0.165 4.131 1.00 72.11 C ATOM 965 C TYR A 63 -0.927 0.574 2.850 1.00 11.14 C ATOM 966 O TYR A 63 -1.400 0.346 1.734 1.00 73.54 O ATOM 967 CB TYR A 63 -1.865 -1.357 4.194 1.00 72.23 C ATOM 968 CG TYR A 63 -2.482 -1.826 5.506 1.00 65.12 C ATOM 969 CD1 TYR A 63 -3.818 -1.565 5.798 1.00 63.23 C ATOM 970 CD2 TYR A 63 -1.729 -2.508 6.461 1.00 61.32 C ATOM 971 CE1 TYR A 63 -4.385 -1.973 6.989 1.00 23.33 C ATOM 972 CE2 TYR A 63 -2.295 -2.918 7.658 1.00 63.03 C ATOM 973 CZ TYR A 63 -3.623 -2.649 7.915 1.00 12.14 C ATOM 974 OH TYR A 63 -4.195 -3.048 9.105 1.00 70.24 O ATOM 0 H TYR A 63 -3.671 0.450 3.577 1.00 61.22 H new ATOM 0 HA TYR A 63 -1.063 0.467 4.985 1.00 72.11 H new ATOM 0 HB2 TYR A 63 -2.502 -1.670 3.367 1.00 72.23 H new ATOM 0 HB3 TYR A 63 -0.901 -1.847 4.057 1.00 72.23 H new ATOM 0 HD1 TYR A 63 -4.423 -1.033 5.079 1.00 63.23 H new ATOM 0 HD2 TYR A 63 -0.688 -2.720 6.265 1.00 61.32 H new ATOM 0 HE1 TYR A 63 -5.424 -1.762 7.194 1.00 23.33 H new ATOM 0 HE2 TYR A 63 -1.698 -3.446 8.387 1.00 63.03 H new ATOM 0 HH TYR A 63 -3.635 -2.752 9.853 1.00 70.24 H new ATOM 984 N VAL A 64 0.239 1.180 3.025 1.00 5.12 N ATOM 985 CA VAL A 64 0.985 1.789 1.922 1.00 45.14 C ATOM 986 C VAL A 64 2.204 0.957 1.518 1.00 65.54 C ATOM 987 O VAL A 64 2.975 0.522 2.373 1.00 72.32 O ATOM 988 CB VAL A 64 1.464 3.204 2.327 1.00 52.43 C ATOM 989 CG1 VAL A 64 2.317 3.840 1.233 1.00 70.12 C ATOM 990 CG2 VAL A 64 0.273 4.090 2.672 1.00 50.44 C ATOM 0 H VAL A 64 0.698 1.266 3.932 1.00 5.12 H new ATOM 0 HA VAL A 64 0.308 1.841 1.070 1.00 45.14 H new ATOM 0 HB VAL A 64 2.091 3.105 3.213 1.00 52.43 H new ATOM 0 HG11 VAL A 64 2.636 4.833 1.551 1.00 70.12 H new ATOM 0 HG12 VAL A 64 3.194 3.219 1.048 1.00 70.12 H new ATOM 0 HG13 VAL A 64 1.732 3.923 0.317 1.00 70.12 H new ATOM 0 HG21 VAL A 64 0.627 5.081 2.955 1.00 50.44 H new ATOM 0 HG22 VAL A 64 -0.383 4.172 1.805 1.00 50.44 H new ATOM 0 HG23 VAL A 64 -0.278 3.651 3.503 1.00 50.44 H new ATOM 1000 N TYR A 65 2.387 0.735 0.214 1.00 4.34 N ATOM 1001 CA TYR A 65 3.612 0.104 -0.269 1.00 11.02 C ATOM 1002 C TYR A 65 4.070 0.695 -1.608 1.00 22.22 C ATOM 1003 O TYR A 65 3.282 0.873 -2.544 1.00 52.55 O ATOM 1004 CB TYR A 65 3.442 -1.418 -0.367 1.00 53.03 C ATOM 1005 CG TYR A 65 2.513 -1.905 -1.470 1.00 73.33 C ATOM 1006 CD1 TYR A 65 1.174 -1.535 -1.517 1.00 63.02 C ATOM 1007 CD2 TYR A 65 2.985 -2.759 -2.457 1.00 51.50 C ATOM 1008 CE1 TYR A 65 0.342 -2.003 -2.517 1.00 44.42 C ATOM 1009 CE2 TYR A 65 2.159 -3.235 -3.453 1.00 64.52 C ATOM 1010 CZ TYR A 65 0.838 -2.854 -3.479 1.00 53.34 C ATOM 1011 OH TYR A 65 0.008 -3.337 -4.464 1.00 64.25 O ATOM 0 H TYR A 65 1.714 0.979 -0.513 1.00 4.34 H new ATOM 0 HA TYR A 65 4.395 0.314 0.460 1.00 11.02 H new ATOM 0 HB2 TYR A 65 4.424 -1.866 -0.519 1.00 53.03 H new ATOM 0 HB3 TYR A 65 3.068 -1.786 0.588 1.00 53.03 H new ATOM 0 HD1 TYR A 65 0.778 -0.873 -0.762 1.00 63.02 H new ATOM 0 HD2 TYR A 65 4.023 -3.057 -2.445 1.00 51.50 H new ATOM 0 HE1 TYR A 65 -0.695 -1.702 -2.544 1.00 44.42 H new ATOM 0 HE2 TYR A 65 2.547 -3.903 -4.208 1.00 64.52 H new ATOM 0 HH TYR A 65 -0.696 -2.681 -4.649 1.00 64.25 H new ATOM 1021 N GLY A 66 5.353 1.031 -1.675 1.00 54.12 N ATOM 1022 CA GLY A 66 5.952 1.511 -2.910 1.00 71.45 C ATOM 1023 C GLY A 66 6.663 0.399 -3.658 1.00 51.53 C ATOM 1024 O GLY A 66 6.406 -0.785 -3.421 1.00 31.24 O ATOM 0 H GLY A 66 5.998 0.979 -0.886 1.00 54.12 H new ATOM 0 HA2 GLY A 66 5.179 1.941 -3.546 1.00 71.45 H new ATOM 0 HA3 GLY A 66 6.660 2.309 -2.685 1.00 71.45 H new ATOM 1028 N ALA A 67 7.538 0.755 -4.586 1.00 20.25 N ATOM 1029 CA ALA A 67 8.355 -0.249 -5.267 1.00 41.41 C ATOM 1030 C ALA A 67 9.500 -0.699 -4.348 1.00 40.25 C ATOM 1031 O ALA A 67 9.714 -1.895 -4.133 1.00 54.04 O ATOM 1032 CB ALA A 67 8.888 0.296 -6.588 1.00 1.55 C ATOM 0 H ALA A 67 7.703 1.716 -4.885 1.00 20.25 H new ATOM 0 HA ALA A 67 7.735 -1.116 -5.496 1.00 41.41 H new ATOM 0 HB1 ALA A 67 9.493 -0.466 -7.079 1.00 1.55 H new ATOM 0 HB2 ALA A 67 8.052 0.567 -7.233 1.00 1.55 H new ATOM 0 HB3 ALA A 67 9.500 1.178 -6.397 1.00 1.55 H new ATOM 1038 N GLY A 68 10.223 0.279 -3.806 1.00 11.35 N ATOM 1039 CA GLY A 68 11.243 0.015 -2.795 1.00 24.34 C ATOM 1040 C GLY A 68 10.845 0.536 -1.412 1.00 11.43 C ATOM 1041 O GLY A 68 9.911 1.334 -1.283 1.00 13.30 O ATOM 0 H GLY A 68 10.120 1.264 -4.051 1.00 11.35 H new ATOM 0 HA2 GLY A 68 11.424 -1.058 -2.737 1.00 24.34 H new ATOM 0 HA3 GLY A 68 12.181 0.480 -3.099 1.00 24.34 H new ATOM 1045 N ASP A 69 11.555 0.088 -0.378 1.00 2.44 N ATOM 1046 CA ASP A 69 11.275 0.494 1.007 1.00 54.44 C ATOM 1047 C ASP A 69 11.325 2.025 1.180 1.00 71.25 C ATOM 1048 O ASP A 69 10.515 2.608 1.904 1.00 14.53 O ATOM 1049 CB ASP A 69 12.282 -0.176 1.945 1.00 71.11 C ATOM 1050 CG ASP A 69 12.316 -1.687 1.765 1.00 30.42 C ATOM 1051 OD1 ASP A 69 12.911 -2.153 0.769 1.00 53.20 O ATOM 1052 OD2 ASP A 69 11.749 -2.410 2.609 1.00 62.44 O ATOM 0 H ASP A 69 12.336 -0.562 -0.470 1.00 2.44 H new ATOM 0 HA ASP A 69 10.263 0.173 1.256 1.00 54.44 H new ATOM 0 HB2 ASP A 69 13.276 0.233 1.761 1.00 71.11 H new ATOM 0 HB3 ASP A 69 12.027 0.060 2.978 1.00 71.11 H new ATOM 1057 N GLU A 70 12.274 2.668 0.495 1.00 21.24 N ATOM 1058 CA GLU A 70 12.425 4.130 0.550 1.00 13.23 C ATOM 1059 C GLU A 70 11.130 4.854 0.140 1.00 74.13 C ATOM 1060 O GLU A 70 10.602 5.685 0.886 1.00 20.54 O ATOM 1061 CB GLU A 70 13.569 4.567 -0.378 1.00 63.34 C ATOM 1062 CG GLU A 70 13.740 6.082 -0.491 1.00 31.23 C ATOM 1063 CD GLU A 70 14.750 6.480 -1.557 1.00 33.30 C ATOM 1064 OE1 GLU A 70 15.964 6.448 -1.275 1.00 11.44 O ATOM 1065 OE2 GLU A 70 14.334 6.825 -2.684 1.00 34.10 O ATOM 0 H GLU A 70 12.952 2.201 -0.106 1.00 21.24 H new ATOM 0 HA GLU A 70 12.652 4.402 1.581 1.00 13.23 H new ATOM 0 HB2 GLU A 70 14.501 4.133 -0.016 1.00 63.34 H new ATOM 0 HB3 GLU A 70 13.392 4.157 -1.372 1.00 63.34 H new ATOM 0 HG2 GLU A 70 12.776 6.536 -0.721 1.00 31.23 H new ATOM 0 HG3 GLU A 70 14.058 6.481 0.472 1.00 31.23 H new ATOM 1072 N GLN A 71 10.610 4.512 -1.038 1.00 43.21 N ATOM 1073 CA GLN A 71 9.380 5.120 -1.555 1.00 75.32 C ATOM 1074 C GLN A 71 8.190 4.845 -0.628 1.00 74.44 C ATOM 1075 O GLN A 71 7.345 5.715 -0.400 1.00 4.45 O ATOM 1076 CB GLN A 71 9.086 4.587 -2.962 1.00 60.52 C ATOM 1077 CG GLN A 71 7.866 5.213 -3.623 1.00 30.21 C ATOM 1078 CD GLN A 71 7.663 4.728 -5.045 1.00 32.41 C ATOM 1079 OE1 GLN A 71 8.010 3.600 -5.387 1.00 4.44 O ATOM 1080 NE2 GLN A 71 7.090 5.568 -5.884 1.00 33.22 N ATOM 0 H GLN A 71 11.022 3.814 -1.657 1.00 43.21 H new ATOM 0 HA GLN A 71 9.528 6.199 -1.600 1.00 75.32 H new ATOM 0 HB2 GLN A 71 9.957 4.761 -3.594 1.00 60.52 H new ATOM 0 HB3 GLN A 71 8.942 3.508 -2.907 1.00 60.52 H new ATOM 0 HG2 GLN A 71 6.979 4.982 -3.034 1.00 30.21 H new ATOM 0 HG3 GLN A 71 7.974 6.298 -3.624 1.00 30.21 H new ATOM 0 HE21 GLN A 71 6.814 6.497 -5.567 1.00 33.22 H new ATOM 0 HE22 GLN A 71 6.922 5.289 -6.851 1.00 33.22 H new ATOM 1089 N THR A 72 8.136 3.629 -0.097 1.00 2.32 N ATOM 1090 CA THR A 72 7.095 3.238 0.857 1.00 31.45 C ATOM 1091 C THR A 72 7.079 4.175 2.073 1.00 53.11 C ATOM 1092 O THR A 72 6.028 4.675 2.477 1.00 14.22 O ATOM 1093 CB THR A 72 7.308 1.784 1.344 1.00 20.43 C ATOM 1094 OG1 THR A 72 7.409 0.897 0.217 1.00 23.21 O ATOM 1095 CG2 THR A 72 6.167 1.327 2.247 1.00 42.45 C ATOM 0 H THR A 72 8.805 2.889 -0.311 1.00 2.32 H new ATOM 0 HA THR A 72 6.139 3.309 0.337 1.00 31.45 H new ATOM 0 HB THR A 72 8.234 1.758 1.919 1.00 20.43 H new ATOM 0 HG1 THR A 72 8.276 1.024 -0.222 1.00 23.21 H new ATOM 0 HG21 THR A 72 6.348 0.302 2.571 1.00 42.45 H new ATOM 0 HG22 THR A 72 6.110 1.979 3.119 1.00 42.45 H new ATOM 0 HG23 THR A 72 5.227 1.373 1.697 1.00 42.45 H new ATOM 1103 N SER A 73 8.264 4.424 2.633 1.00 35.14 N ATOM 1104 CA SER A 73 8.410 5.279 3.820 1.00 22.11 C ATOM 1105 C SER A 73 7.953 6.724 3.559 1.00 71.23 C ATOM 1106 O SER A 73 7.097 7.251 4.274 1.00 31.44 O ATOM 1107 CB SER A 73 9.873 5.280 4.290 1.00 71.41 C ATOM 1108 OG SER A 73 10.072 6.167 5.381 1.00 13.43 O ATOM 0 H SER A 73 9.144 4.044 2.283 1.00 35.14 H new ATOM 0 HA SER A 73 7.767 4.864 4.596 1.00 22.11 H new ATOM 0 HB2 SER A 73 10.162 4.271 4.584 1.00 71.41 H new ATOM 0 HB3 SER A 73 10.521 5.569 3.463 1.00 71.41 H new ATOM 0 HG SER A 73 11.012 6.142 5.656 1.00 13.43 H new ATOM 1114 N GLN A 74 8.520 7.359 2.533 1.00 75.54 N ATOM 1115 CA GLN A 74 8.213 8.766 2.226 1.00 44.24 C ATOM 1116 C GLN A 74 6.721 8.978 1.910 1.00 44.34 C ATOM 1117 O GLN A 74 6.130 9.984 2.302 1.00 23.23 O ATOM 1118 CB GLN A 74 9.078 9.269 1.069 1.00 73.41 C ATOM 1119 CG GLN A 74 8.872 8.502 -0.218 1.00 64.25 C ATOM 1120 CD GLN A 74 9.807 8.945 -1.330 1.00 70.40 C ATOM 1121 OE1 GLN A 74 10.894 8.406 -1.499 1.00 3.31 O ATOM 1122 NE2 GLN A 74 9.397 9.939 -2.086 1.00 72.25 N ATOM 0 H GLN A 74 9.193 6.928 1.899 1.00 75.54 H new ATOM 0 HA GLN A 74 8.444 9.346 3.119 1.00 44.24 H new ATOM 0 HB2 GLN A 74 8.859 10.322 0.894 1.00 73.41 H new ATOM 0 HB3 GLN A 74 10.128 9.205 1.356 1.00 73.41 H new ATOM 0 HG2 GLN A 74 9.020 7.439 -0.028 1.00 64.25 H new ATOM 0 HG3 GLN A 74 7.840 8.626 -0.547 1.00 64.25 H new ATOM 0 HE21 GLN A 74 8.486 10.365 -1.918 1.00 72.25 H new ATOM 0 HE22 GLN A 74 9.990 10.284 -2.841 1.00 72.25 H new ATOM 1131 N ALA A 75 6.120 8.027 1.202 1.00 44.43 N ATOM 1132 CA ALA A 75 4.684 8.079 0.895 1.00 34.23 C ATOM 1133 C ALA A 75 3.831 8.109 2.175 1.00 61.52 C ATOM 1134 O ALA A 75 2.866 8.873 2.277 1.00 75.22 O ATOM 1135 CB ALA A 75 4.295 6.897 0.024 1.00 51.15 C ATOM 0 H ALA A 75 6.600 7.209 0.827 1.00 44.43 H new ATOM 0 HA ALA A 75 4.490 9.003 0.351 1.00 34.23 H new ATOM 0 HB1 ALA A 75 3.229 6.944 -0.198 1.00 51.15 H new ATOM 0 HB2 ALA A 75 4.861 6.929 -0.907 1.00 51.15 H new ATOM 0 HB3 ALA A 75 4.515 5.969 0.551 1.00 51.15 H new ATOM 1141 N VAL A 76 4.190 7.266 3.145 1.00 35.23 N ATOM 1142 CA VAL A 76 3.545 7.277 4.469 1.00 41.31 C ATOM 1143 C VAL A 76 3.604 8.678 5.100 1.00 70.50 C ATOM 1144 O VAL A 76 2.604 9.178 5.632 1.00 63.33 O ATOM 1145 CB VAL A 76 4.210 6.250 5.426 1.00 40.21 C ATOM 1146 CG1 VAL A 76 3.645 6.363 6.843 1.00 52.25 C ATOM 1147 CG2 VAL A 76 4.035 4.829 4.894 1.00 11.14 C ATOM 0 H VAL A 76 4.924 6.565 3.043 1.00 35.23 H new ATOM 0 HA VAL A 76 2.502 6.997 4.322 1.00 41.31 H new ATOM 0 HB VAL A 76 5.275 6.478 5.470 1.00 40.21 H new ATOM 0 HG11 VAL A 76 4.131 5.631 7.488 1.00 52.25 H new ATOM 0 HG12 VAL A 76 3.829 7.366 7.229 1.00 52.25 H new ATOM 0 HG13 VAL A 76 2.572 6.173 6.823 1.00 52.25 H new ATOM 0 HG21 VAL A 76 4.507 4.124 5.578 1.00 11.14 H new ATOM 0 HG22 VAL A 76 2.973 4.599 4.813 1.00 11.14 H new ATOM 0 HG23 VAL A 76 4.500 4.749 3.911 1.00 11.14 H new ATOM 1157 N ASN A 77 4.779 9.304 5.026 1.00 21.40 N ATOM 1158 CA ASN A 77 4.970 10.681 5.500 1.00 60.14 C ATOM 1159 C ASN A 77 3.951 11.633 4.859 1.00 14.55 C ATOM 1160 O ASN A 77 3.311 12.436 5.535 1.00 14.01 O ATOM 1161 CB ASN A 77 6.385 11.157 5.153 1.00 30.52 C ATOM 1162 CG ASN A 77 6.701 12.531 5.717 1.00 62.25 C ATOM 1163 OD1 ASN A 77 6.193 12.921 6.762 1.00 54.43 O ATOM 1164 ND2 ASN A 77 7.540 13.274 5.027 1.00 31.13 N ATOM 0 H ASN A 77 5.621 8.878 4.639 1.00 21.40 H new ATOM 0 HA ASN A 77 4.826 10.688 6.580 1.00 60.14 H new ATOM 0 HB2 ASN A 77 7.109 10.437 5.535 1.00 30.52 H new ATOM 0 HB3 ASN A 77 6.500 11.179 4.069 1.00 30.52 H new ATOM 0 HD21 ASN A 77 7.786 14.207 5.358 1.00 31.13 H new ATOM 0 HD22 ASN A 77 7.944 12.917 4.161 1.00 31.13 H new ATOM 1171 N LEU A 78 3.814 11.520 3.547 1.00 33.33 N ATOM 1172 CA LEU A 78 2.924 12.383 2.768 1.00 73.10 C ATOM 1173 C LEU A 78 1.448 12.218 3.175 1.00 30.42 C ATOM 1174 O LEU A 78 0.695 13.192 3.213 1.00 61.32 O ATOM 1175 CB LEU A 78 3.125 12.073 1.282 1.00 44.43 C ATOM 1176 CG LEU A 78 4.560 12.322 0.780 1.00 1.52 C ATOM 1177 CD1 LEU A 78 4.802 11.634 -0.557 1.00 71.43 C ATOM 1178 CD2 LEU A 78 4.845 13.820 0.680 1.00 22.35 C ATOM 0 H LEU A 78 4.314 10.829 2.987 1.00 33.33 H new ATOM 0 HA LEU A 78 3.178 13.424 2.970 1.00 73.10 H new ATOM 0 HB2 LEU A 78 2.863 11.031 1.100 1.00 44.43 H new ATOM 0 HB3 LEU A 78 2.435 12.682 0.698 1.00 44.43 H new ATOM 0 HG LEU A 78 5.249 11.891 1.506 1.00 1.52 H new ATOM 0 HD11 LEU A 78 5.823 11.827 -0.886 1.00 71.43 H new ATOM 0 HD12 LEU A 78 4.654 10.560 -0.445 1.00 71.43 H new ATOM 0 HD13 LEU A 78 4.102 12.022 -1.298 1.00 71.43 H new ATOM 0 HD21 LEU A 78 5.864 13.974 0.324 1.00 22.35 H new ATOM 0 HD22 LEU A 78 4.144 14.278 -0.017 1.00 22.35 H new ATOM 0 HD23 LEU A 78 4.731 14.278 1.662 1.00 22.35 H new ATOM 1190 N LEU A 79 1.039 10.991 3.498 1.00 22.34 N ATOM 1191 CA LEU A 79 -0.341 10.736 3.933 1.00 63.34 C ATOM 1192 C LEU A 79 -0.619 11.293 5.340 1.00 63.54 C ATOM 1193 O LEU A 79 -1.634 11.959 5.557 1.00 60.24 O ATOM 1194 CB LEU A 79 -0.668 9.237 3.875 1.00 31.42 C ATOM 1195 CG LEU A 79 -0.840 8.666 2.459 1.00 44.15 C ATOM 1196 CD1 LEU A 79 -1.207 7.189 2.519 1.00 3.42 C ATOM 1197 CD2 LEU A 79 -1.901 9.449 1.685 1.00 24.43 C ATOM 0 H LEU A 79 1.634 10.163 3.468 1.00 22.34 H new ATOM 0 HA LEU A 79 -0.994 11.264 3.238 1.00 63.34 H new ATOM 0 HB2 LEU A 79 0.127 8.687 4.379 1.00 31.42 H new ATOM 0 HB3 LEU A 79 -1.585 9.058 4.437 1.00 31.42 H new ATOM 0 HG LEU A 79 0.110 8.765 1.934 1.00 44.15 H new ATOM 0 HD11 LEU A 79 -1.325 6.802 1.507 1.00 3.42 H new ATOM 0 HD12 LEU A 79 -0.416 6.638 3.029 1.00 3.42 H new ATOM 0 HD13 LEU A 79 -2.143 7.069 3.065 1.00 3.42 H new ATOM 0 HD21 LEU A 79 -2.007 9.028 0.685 1.00 24.43 H new ATOM 0 HD22 LEU A 79 -2.855 9.385 2.209 1.00 24.43 H new ATOM 0 HD23 LEU A 79 -1.599 10.494 1.609 1.00 24.43 H new ATOM 1209 N ARG A 80 0.268 11.035 6.301 1.00 43.31 N ATOM 1210 CA ARG A 80 0.098 11.610 7.644 1.00 2.55 C ATOM 1211 C ARG A 80 0.225 13.143 7.599 1.00 24.13 C ATOM 1212 O ARG A 80 -0.409 13.852 8.380 1.00 42.31 O ATOM 1213 CB ARG A 80 1.084 11.001 8.652 1.00 11.25 C ATOM 1214 CG ARG A 80 2.554 11.156 8.286 1.00 64.44 C ATOM 1215 CD ARG A 80 3.455 10.477 9.312 1.00 73.24 C ATOM 1216 NE ARG A 80 3.060 9.088 9.546 1.00 35.40 N ATOM 1217 CZ ARG A 80 3.849 8.161 10.016 1.00 24.31 C ATOM 1218 NH1 ARG A 80 5.077 8.425 10.332 1.00 62.34 N ATOM 1219 NH2 ARG A 80 3.391 6.963 10.181 1.00 64.44 N ATOM 0 H ARG A 80 1.093 10.447 6.185 1.00 43.31 H new ATOM 0 HA ARG A 80 -0.906 11.360 7.986 1.00 2.55 H new ATOM 0 HB2 ARG A 80 0.917 11.462 9.625 1.00 11.25 H new ATOM 0 HB3 ARG A 80 0.862 9.939 8.760 1.00 11.25 H new ATOM 0 HG2 ARG A 80 2.733 10.726 7.301 1.00 64.44 H new ATOM 0 HG3 ARG A 80 2.805 12.215 8.222 1.00 64.44 H new ATOM 0 HD2 ARG A 80 4.488 10.508 8.966 1.00 73.24 H new ATOM 0 HD3 ARG A 80 3.417 11.029 10.251 1.00 73.24 H new ATOM 0 HE ARG A 80 2.099 8.825 9.326 1.00 35.40 H new ATOM 0 HH11 ARG A 80 5.442 9.370 10.215 1.00 62.34 H new ATOM 0 HH12 ARG A 80 5.679 7.688 10.698 1.00 62.34 H new ATOM 0 HH21 ARG A 80 2.422 6.750 9.944 1.00 64.44 H new ATOM 0 HH22 ARG A 80 3.999 6.231 10.548 1.00 64.44 H new ATOM 1233 N SER A 81 1.032 13.648 6.664 1.00 14.00 N ATOM 1234 CA SER A 81 1.076 15.094 6.380 1.00 13.13 C ATOM 1235 C SER A 81 -0.273 15.587 5.826 1.00 51.32 C ATOM 1236 O SER A 81 -0.643 16.750 5.993 1.00 10.14 O ATOM 1237 CB SER A 81 2.198 15.408 5.376 1.00 2.24 C ATOM 1238 OG SER A 81 2.230 16.789 5.039 1.00 72.34 O ATOM 0 H SER A 81 1.662 13.086 6.091 1.00 14.00 H new ATOM 0 HA SER A 81 1.278 15.615 7.316 1.00 13.13 H new ATOM 0 HB2 SER A 81 3.158 15.114 5.800 1.00 2.24 H new ATOM 0 HB3 SER A 81 2.054 14.816 4.472 1.00 2.24 H new ATOM 0 HG SER A 81 2.955 16.953 4.401 1.00 72.34 H new ATOM 1244 N ALA A 82 -1.011 14.689 5.168 1.00 42.11 N ATOM 1245 CA ALA A 82 -2.333 15.012 4.611 1.00 0.24 C ATOM 1246 C ALA A 82 -3.467 14.824 5.643 1.00 53.32 C ATOM 1247 O ALA A 82 -4.645 15.023 5.324 1.00 2.10 O ATOM 1248 CB ALA A 82 -2.596 14.166 3.366 1.00 20.32 C ATOM 0 H ALA A 82 -0.716 13.726 5.006 1.00 42.11 H new ATOM 0 HA ALA A 82 -2.325 16.067 4.337 1.00 0.24 H new ATOM 0 HB1 ALA A 82 -3.577 14.412 2.960 1.00 20.32 H new ATOM 0 HB2 ALA A 82 -1.831 14.373 2.617 1.00 20.32 H new ATOM 0 HB3 ALA A 82 -2.567 13.109 3.631 1.00 20.32 H new ATOM 1254 N GLY A 83 -3.115 14.426 6.871 1.00 15.01 N ATOM 1255 CA GLY A 83 -4.096 14.353 7.959 1.00 61.32 C ATOM 1256 C GLY A 83 -4.595 12.941 8.283 1.00 54.35 C ATOM 1257 O GLY A 83 -5.324 12.748 9.259 1.00 33.33 O ATOM 0 H GLY A 83 -2.168 14.152 7.134 1.00 15.01 H new ATOM 0 HA2 GLY A 83 -3.653 14.781 8.858 1.00 61.32 H new ATOM 0 HA3 GLY A 83 -4.953 14.975 7.699 1.00 61.32 H new ATOM 1261 N PHE A 84 -4.234 11.962 7.457 1.00 21.12 N ATOM 1262 CA PHE A 84 -4.647 10.564 7.669 1.00 24.13 C ATOM 1263 C PHE A 84 -4.161 9.991 9.015 1.00 34.41 C ATOM 1264 O PHE A 84 -2.961 9.935 9.289 1.00 14.04 O ATOM 1265 CB PHE A 84 -4.149 9.679 6.519 1.00 21.50 C ATOM 1266 CG PHE A 84 -4.782 10.006 5.193 1.00 12.52 C ATOM 1267 CD1 PHE A 84 -4.267 11.013 4.394 1.00 11.12 C ATOM 1268 CD2 PHE A 84 -5.900 9.314 4.752 1.00 22.23 C ATOM 1269 CE1 PHE A 84 -4.851 11.326 3.187 1.00 15.31 C ATOM 1270 CE2 PHE A 84 -6.487 9.623 3.545 1.00 60.03 C ATOM 1271 CZ PHE A 84 -5.962 10.631 2.764 1.00 24.31 C ATOM 0 H PHE A 84 -3.654 12.105 6.630 1.00 21.12 H new ATOM 0 HA PHE A 84 -5.737 10.563 7.693 1.00 24.13 H new ATOM 0 HB2 PHE A 84 -3.068 9.784 6.432 1.00 21.50 H new ATOM 0 HB3 PHE A 84 -4.350 8.635 6.761 1.00 21.50 H new ATOM 0 HD1 PHE A 84 -3.396 11.560 4.722 1.00 11.12 H new ATOM 0 HD2 PHE A 84 -6.315 8.525 5.361 1.00 22.23 H new ATOM 0 HE1 PHE A 84 -4.439 12.114 2.574 1.00 15.31 H new ATOM 0 HE2 PHE A 84 -7.357 9.077 3.211 1.00 60.03 H new ATOM 0 HZ PHE A 84 -6.423 10.876 1.819 1.00 24.31 H new ATOM 1281 N GLU A 85 -5.114 9.559 9.838 1.00 51.23 N ATOM 1282 CA GLU A 85 -4.825 8.925 11.130 1.00 34.42 C ATOM 1283 C GLU A 85 -4.206 7.529 10.953 1.00 74.53 C ATOM 1284 O GLU A 85 -3.182 7.204 11.563 1.00 64.11 O ATOM 1285 CB GLU A 85 -6.120 8.791 11.951 1.00 60.33 C ATOM 1286 CG GLU A 85 -6.789 10.120 12.292 1.00 52.24 C ATOM 1287 CD GLU A 85 -8.014 9.950 13.182 1.00 43.41 C ATOM 1288 OE1 GLU A 85 -9.050 9.453 12.690 1.00 51.32 O ATOM 1289 OE2 GLU A 85 -7.942 10.296 14.381 1.00 0.24 O ATOM 0 H GLU A 85 -6.110 9.637 9.631 1.00 51.23 H new ATOM 0 HA GLU A 85 -4.108 9.560 11.651 1.00 34.42 H new ATOM 0 HB2 GLU A 85 -6.826 8.174 11.395 1.00 60.33 H new ATOM 0 HB3 GLU A 85 -5.896 8.262 12.878 1.00 60.33 H new ATOM 0 HG2 GLU A 85 -6.068 10.767 12.792 1.00 52.24 H new ATOM 0 HG3 GLU A 85 -7.082 10.622 11.370 1.00 52.24 H new ATOM 1296 N HIS A 86 -4.847 6.702 10.127 1.00 43.42 N ATOM 1297 CA HIS A 86 -4.450 5.293 9.971 1.00 22.23 C ATOM 1298 C HIS A 86 -3.617 5.056 8.703 1.00 70.02 C ATOM 1299 O HIS A 86 -4.159 4.825 7.623 1.00 24.15 O ATOM 1300 CB HIS A 86 -5.692 4.390 9.969 1.00 14.04 C ATOM 1301 CG HIS A 86 -6.413 4.369 11.281 1.00 52.14 C ATOM 1302 ND1 HIS A 86 -6.555 3.234 12.046 1.00 62.21 N ATOM 1303 CD2 HIS A 86 -7.023 5.358 11.971 1.00 53.12 C ATOM 1304 CE1 HIS A 86 -7.210 3.529 13.148 1.00 54.43 C ATOM 1305 NE2 HIS A 86 -7.507 4.808 13.128 1.00 15.43 N ATOM 0 H HIS A 86 -5.644 6.979 9.553 1.00 43.42 H new ATOM 0 HA HIS A 86 -3.818 5.040 10.822 1.00 22.23 H new ATOM 0 HB2 HIS A 86 -6.377 4.728 9.192 1.00 14.04 H new ATOM 0 HB3 HIS A 86 -5.393 3.374 9.711 1.00 14.04 H new ATOM 0 HD1 HIS A 86 -6.207 2.308 11.797 1.00 62.21 H new ATOM 0 HD2 HIS A 86 -7.112 6.390 11.667 1.00 53.12 H new ATOM 0 HE1 HIS A 86 -7.461 2.836 13.937 1.00 54.43 H new ATOM 1314 N VAL A 87 -2.295 5.126 8.845 1.00 42.52 N ATOM 1315 CA VAL A 87 -1.372 4.839 7.738 1.00 4.31 C ATOM 1316 C VAL A 87 -0.219 3.939 8.212 1.00 71.02 C ATOM 1317 O VAL A 87 0.545 4.315 9.103 1.00 71.25 O ATOM 1318 CB VAL A 87 -0.779 6.137 7.123 1.00 23.10 C ATOM 1319 CG1 VAL A 87 0.142 5.814 5.945 1.00 21.44 C ATOM 1320 CG2 VAL A 87 -1.888 7.094 6.689 1.00 53.52 C ATOM 0 H VAL A 87 -1.833 5.380 9.718 1.00 42.52 H new ATOM 0 HA VAL A 87 -1.952 4.326 6.971 1.00 4.31 H new ATOM 0 HB VAL A 87 -0.187 6.629 7.894 1.00 23.10 H new ATOM 0 HG11 VAL A 87 0.544 6.740 5.533 1.00 21.44 H new ATOM 0 HG12 VAL A 87 0.962 5.183 6.287 1.00 21.44 H new ATOM 0 HG13 VAL A 87 -0.423 5.289 5.175 1.00 21.44 H new ATOM 0 HG21 VAL A 87 -1.445 7.994 6.262 1.00 53.52 H new ATOM 0 HG22 VAL A 87 -2.516 6.609 5.942 1.00 53.52 H new ATOM 0 HG23 VAL A 87 -2.495 7.363 7.553 1.00 53.52 H new ATOM 1330 N SER A 88 -0.100 2.756 7.618 1.00 73.11 N ATOM 1331 CA SER A 88 0.970 1.812 7.979 1.00 15.25 C ATOM 1332 C SER A 88 1.775 1.391 6.746 1.00 33.42 C ATOM 1333 O SER A 88 1.211 1.139 5.680 1.00 14.14 O ATOM 1334 CB SER A 88 0.383 0.570 8.663 1.00 52.34 C ATOM 1335 OG SER A 88 1.404 -0.326 9.075 1.00 14.20 O ATOM 0 H SER A 88 -0.726 2.422 6.885 1.00 73.11 H new ATOM 0 HA SER A 88 1.640 2.320 8.673 1.00 15.25 H new ATOM 0 HB2 SER A 88 -0.207 0.874 9.528 1.00 52.34 H new ATOM 0 HB3 SER A 88 -0.295 0.061 7.977 1.00 52.34 H new ATOM 0 HG SER A 88 1.017 -1.023 9.645 1.00 14.20 H new ATOM 1341 N GLU A 89 3.095 1.316 6.893 1.00 2.23 N ATOM 1342 CA GLU A 89 3.977 0.929 5.785 1.00 74.33 C ATOM 1343 C GLU A 89 4.101 -0.601 5.671 1.00 3.55 C ATOM 1344 O GLU A 89 4.263 -1.302 6.672 1.00 51.34 O ATOM 1345 CB GLU A 89 5.373 1.546 5.972 1.00 2.32 C ATOM 1346 CG GLU A 89 6.037 1.167 7.291 1.00 51.12 C ATOM 1347 CD GLU A 89 7.512 1.523 7.339 1.00 64.02 C ATOM 1348 OE1 GLU A 89 7.845 2.683 7.655 1.00 20.11 O ATOM 1349 OE2 GLU A 89 8.347 0.633 7.068 1.00 31.32 O ATOM 0 H GLU A 89 3.582 1.517 7.767 1.00 2.23 H new ATOM 0 HA GLU A 89 3.532 1.307 4.864 1.00 74.33 H new ATOM 0 HB2 GLU A 89 6.014 1.230 5.149 1.00 2.32 H new ATOM 0 HB3 GLU A 89 5.292 2.631 5.915 1.00 2.32 H new ATOM 0 HG2 GLU A 89 5.521 1.671 8.109 1.00 51.12 H new ATOM 0 HG3 GLU A 89 5.923 0.095 7.454 1.00 51.12 H new ATOM 1356 N LEU A 90 4.021 -1.116 4.448 1.00 34.21 N ATOM 1357 CA LEU A 90 4.224 -2.544 4.207 1.00 12.44 C ATOM 1358 C LEU A 90 5.721 -2.869 4.185 1.00 24.13 C ATOM 1359 O LEU A 90 6.466 -2.369 3.340 1.00 2.11 O ATOM 1360 CB LEU A 90 3.576 -2.970 2.885 1.00 10.55 C ATOM 1361 CG LEU A 90 3.537 -4.487 2.642 1.00 23.44 C ATOM 1362 CD1 LEU A 90 2.675 -5.181 3.692 1.00 52.24 C ATOM 1363 CD2 LEU A 90 3.037 -4.800 1.235 1.00 13.22 C ATOM 0 H LEU A 90 3.818 -0.570 3.611 1.00 34.21 H new ATOM 0 HA LEU A 90 3.751 -3.098 5.018 1.00 12.44 H new ATOM 0 HB2 LEU A 90 2.556 -2.586 2.857 1.00 10.55 H new ATOM 0 HB3 LEU A 90 4.117 -2.499 2.064 1.00 10.55 H new ATOM 0 HG LEU A 90 4.554 -4.870 2.731 1.00 23.44 H new ATOM 0 HD11 LEU A 90 2.662 -6.254 3.500 1.00 52.24 H new ATOM 0 HD12 LEU A 90 3.088 -4.994 4.683 1.00 52.24 H new ATOM 0 HD13 LEU A 90 1.658 -4.791 3.644 1.00 52.24 H new ATOM 0 HD21 LEU A 90 3.018 -5.880 1.087 1.00 13.22 H new ATOM 0 HD22 LEU A 90 2.031 -4.399 1.109 1.00 13.22 H new ATOM 0 HD23 LEU A 90 3.704 -4.345 0.502 1.00 13.22 H new ATOM 1375 N LYS A 91 6.164 -3.694 5.123 1.00 64.52 N ATOM 1376 CA LYS A 91 7.581 -4.038 5.238 1.00 14.21 C ATOM 1377 C LYS A 91 8.019 -5.042 4.161 1.00 33.12 C ATOM 1378 O LYS A 91 7.375 -6.069 3.948 1.00 4.02 O ATOM 1379 CB LYS A 91 7.873 -4.587 6.636 1.00 61.41 C ATOM 1380 CG LYS A 91 7.608 -3.572 7.743 1.00 31.12 C ATOM 1381 CD LYS A 91 7.829 -4.164 9.126 1.00 22.41 C ATOM 1382 CE LYS A 91 9.293 -4.509 9.386 1.00 13.01 C ATOM 1383 NZ LYS A 91 9.508 -4.979 10.780 1.00 24.14 N ATOM 0 H LYS A 91 5.565 -4.140 5.818 1.00 64.52 H new ATOM 0 HA LYS A 91 8.159 -3.127 5.081 1.00 14.21 H new ATOM 0 HB2 LYS A 91 7.260 -5.472 6.808 1.00 61.41 H new ATOM 0 HB3 LYS A 91 8.914 -4.906 6.685 1.00 61.41 H new ATOM 0 HG2 LYS A 91 8.262 -2.711 7.609 1.00 31.12 H new ATOM 0 HG3 LYS A 91 6.583 -3.209 7.664 1.00 31.12 H new ATOM 0 HD2 LYS A 91 7.486 -3.455 9.880 1.00 22.41 H new ATOM 0 HD3 LYS A 91 7.222 -5.063 9.234 1.00 22.41 H new ATOM 0 HE2 LYS A 91 9.614 -5.282 8.688 1.00 13.01 H new ATOM 0 HE3 LYS A 91 9.912 -3.632 9.198 1.00 13.01 H new ATOM 0 HZ1 LYS A 91 10.514 -5.204 10.919 1.00 24.14 H new ATOM 0 HZ2 LYS A 91 9.225 -4.232 11.446 1.00 24.14 H new ATOM 0 HZ3 LYS A 91 8.936 -5.830 10.951 1.00 24.14 H new ATOM 1397 N GLY A 92 9.119 -4.728 3.481 1.00 14.55 N ATOM 1398 CA GLY A 92 9.649 -5.609 2.439 1.00 21.14 C ATOM 1399 C GLY A 92 9.226 -5.225 1.017 1.00 10.52 C ATOM 1400 O GLY A 92 9.993 -5.411 0.067 1.00 41.41 O ATOM 0 H GLY A 92 9.659 -3.876 3.630 1.00 14.55 H new ATOM 0 HA2 GLY A 92 10.738 -5.606 2.496 1.00 21.14 H new ATOM 0 HA3 GLY A 92 9.322 -6.629 2.640 1.00 21.14 H new ATOM 1404 N GLY A 93 8.013 -4.692 0.859 1.00 44.43 N ATOM 1405 CA GLY A 93 7.509 -4.355 -0.477 1.00 34.23 C ATOM 1406 C GLY A 93 6.670 -5.474 -1.099 1.00 30.51 C ATOM 1407 O GLY A 93 6.343 -6.469 -0.438 1.00 43.34 O ATOM 0 H GLY A 93 7.370 -4.487 1.624 1.00 44.43 H new ATOM 0 HA2 GLY A 93 6.907 -3.449 -0.414 1.00 34.23 H new ATOM 0 HA3 GLY A 93 8.352 -4.133 -1.132 1.00 34.23 H new ATOM 1411 N LEU A 94 6.333 -5.325 -2.380 1.00 43.22 N ATOM 1412 CA LEU A 94 5.530 -6.328 -3.088 1.00 74.32 C ATOM 1413 C LEU A 94 6.281 -7.665 -3.191 1.00 53.12 C ATOM 1414 O LEU A 94 5.675 -8.734 -3.113 1.00 70.33 O ATOM 1415 CB LEU A 94 5.161 -5.824 -4.489 1.00 74.22 C ATOM 1416 CG LEU A 94 4.268 -6.767 -5.314 1.00 40.53 C ATOM 1417 CD1 LEU A 94 2.906 -6.955 -4.645 1.00 32.32 C ATOM 1418 CD2 LEU A 94 4.106 -6.245 -6.739 1.00 61.12 C ATOM 0 H LEU A 94 6.602 -4.522 -2.949 1.00 43.22 H new ATOM 0 HA LEU A 94 4.616 -6.492 -2.516 1.00 74.32 H new ATOM 0 HB2 LEU A 94 4.653 -4.864 -4.390 1.00 74.22 H new ATOM 0 HB3 LEU A 94 6.080 -5.642 -5.045 1.00 74.22 H new ATOM 0 HG LEU A 94 4.756 -7.741 -5.361 1.00 40.53 H new ATOM 0 HD11 LEU A 94 2.294 -7.626 -5.248 1.00 32.32 H new ATOM 0 HD12 LEU A 94 3.044 -7.384 -3.652 1.00 32.32 H new ATOM 0 HD13 LEU A 94 2.408 -5.990 -4.557 1.00 32.32 H new ATOM 0 HD21 LEU A 94 3.471 -6.926 -7.306 1.00 61.12 H new ATOM 0 HD22 LEU A 94 3.647 -5.257 -6.714 1.00 61.12 H new ATOM 0 HD23 LEU A 94 5.084 -6.179 -7.216 1.00 61.12 H new ATOM 1430 N ALA A 95 7.602 -7.595 -3.366 1.00 23.11 N ATOM 1431 CA ALA A 95 8.450 -8.793 -3.392 1.00 63.22 C ATOM 1432 C ALA A 95 8.218 -9.675 -2.154 1.00 4.31 C ATOM 1433 O ALA A 95 8.158 -10.898 -2.260 1.00 75.34 O ATOM 1434 CB ALA A 95 9.920 -8.395 -3.496 1.00 73.15 C ATOM 0 H ALA A 95 8.111 -6.720 -3.492 1.00 23.11 H new ATOM 0 HA ALA A 95 8.177 -9.378 -4.270 1.00 63.22 H new ATOM 0 HB1 ALA A 95 10.539 -9.292 -3.514 1.00 73.15 H new ATOM 0 HB2 ALA A 95 10.079 -7.825 -4.412 1.00 73.15 H new ATOM 0 HB3 ALA A 95 10.193 -7.783 -2.636 1.00 73.15 H new ATOM 1440 N ALA A 96 8.070 -9.044 -0.988 1.00 21.23 N ATOM 1441 CA ALA A 96 7.771 -9.771 0.252 1.00 63.25 C ATOM 1442 C ALA A 96 6.378 -10.414 0.189 1.00 62.25 C ATOM 1443 O ALA A 96 6.213 -11.601 0.484 1.00 22.22 O ATOM 1444 CB ALA A 96 7.883 -8.837 1.453 1.00 61.42 C ATOM 0 H ALA A 96 8.152 -8.034 -0.874 1.00 21.23 H new ATOM 0 HA ALA A 96 8.503 -10.571 0.366 1.00 63.25 H new ATOM 0 HB1 ALA A 96 7.659 -9.389 2.366 1.00 61.42 H new ATOM 0 HB2 ALA A 96 8.896 -8.438 1.510 1.00 61.42 H new ATOM 0 HB3 ALA A 96 7.175 -8.016 1.343 1.00 61.42 H new ATOM 1450 N TRP A 97 5.384 -9.624 -0.221 1.00 34.44 N ATOM 1451 CA TRP A 97 4.004 -10.111 -0.396 1.00 2.10 C ATOM 1452 C TRP A 97 3.955 -11.322 -1.349 1.00 71.43 C ATOM 1453 O TRP A 97 3.173 -12.257 -1.163 1.00 44.21 O ATOM 1454 CB TRP A 97 3.132 -8.980 -0.952 1.00 74.22 C ATOM 1455 CG TRP A 97 1.675 -9.330 -1.061 1.00 13.13 C ATOM 1456 CD1 TRP A 97 1.031 -9.876 -2.135 1.00 45.52 C ATOM 1457 CD2 TRP A 97 0.677 -9.140 -0.055 1.00 41.02 C ATOM 1458 NE1 TRP A 97 -0.304 -10.035 -1.855 1.00 34.23 N ATOM 1459 CE2 TRP A 97 -0.546 -9.588 -0.585 1.00 4.13 C ATOM 1460 CE3 TRP A 97 0.703 -8.631 1.243 1.00 11.04 C ATOM 1461 CZ2 TRP A 97 -1.731 -9.541 0.138 1.00 22.14 C ATOM 1462 CZ3 TRP A 97 -0.474 -8.586 1.961 1.00 74.24 C ATOM 1463 CH2 TRP A 97 -1.679 -9.037 1.407 1.00 13.01 C ATOM 0 H TRP A 97 5.505 -8.635 -0.441 1.00 34.44 H new ATOM 0 HA TRP A 97 3.626 -10.430 0.575 1.00 2.10 H new ATOM 0 HB2 TRP A 97 3.238 -8.105 -0.311 1.00 74.22 H new ATOM 0 HB3 TRP A 97 3.503 -8.700 -1.938 1.00 74.22 H new ATOM 0 HD1 TRP A 97 1.503 -10.144 -3.069 1.00 45.52 H new ATOM 0 HE1 TRP A 97 -1.001 -10.423 -2.490 1.00 34.23 H new ATOM 0 HE3 TRP A 97 1.627 -8.279 1.678 1.00 11.04 H new ATOM 0 HZ2 TRP A 97 -2.660 -9.890 -0.288 1.00 22.14 H new ATOM 0 HZ3 TRP A 97 -0.466 -8.196 2.968 1.00 74.24 H new ATOM 0 HH2 TRP A 97 -2.584 -8.985 1.994 1.00 13.01 H new ATOM 1474 N LYS A 98 4.795 -11.287 -2.375 1.00 42.41 N ATOM 1475 CA LYS A 98 4.885 -12.371 -3.356 1.00 60.33 C ATOM 1476 C LYS A 98 5.674 -13.576 -2.815 1.00 74.01 C ATOM 1477 O LYS A 98 5.292 -14.729 -3.030 1.00 71.45 O ATOM 1478 CB LYS A 98 5.537 -11.847 -4.631 1.00 42.35 C ATOM 1479 CG LYS A 98 4.662 -10.862 -5.397 1.00 24.22 C ATOM 1480 CD LYS A 98 5.441 -10.170 -6.503 1.00 12.10 C ATOM 1481 CE LYS A 98 6.232 -11.163 -7.341 1.00 63.12 C ATOM 1482 NZ LYS A 98 5.360 -12.106 -8.087 1.00 54.12 N ATOM 0 H LYS A 98 5.433 -10.511 -2.554 1.00 42.41 H new ATOM 0 HA LYS A 98 3.874 -12.717 -3.569 1.00 60.33 H new ATOM 0 HB2 LYS A 98 6.479 -11.362 -4.376 1.00 42.35 H new ATOM 0 HB3 LYS A 98 5.777 -12.689 -5.280 1.00 42.35 H new ATOM 0 HG2 LYS A 98 3.809 -11.388 -5.825 1.00 24.22 H new ATOM 0 HG3 LYS A 98 4.264 -10.116 -4.709 1.00 24.22 H new ATOM 0 HD2 LYS A 98 4.752 -9.620 -7.144 1.00 12.10 H new ATOM 0 HD3 LYS A 98 6.122 -9.439 -6.066 1.00 12.10 H new ATOM 0 HE2 LYS A 98 6.859 -10.618 -8.047 1.00 63.12 H new ATOM 0 HE3 LYS A 98 6.900 -11.729 -6.692 1.00 63.12 H new ATOM 0 HZ1 LYS A 98 5.949 -12.760 -8.641 1.00 54.12 H new ATOM 0 HZ2 LYS A 98 4.780 -12.648 -7.415 1.00 54.12 H new ATOM 0 HZ3 LYS A 98 4.739 -11.572 -8.728 1.00 54.12 H new ATOM 1496 N ALA A 99 6.772 -13.301 -2.111 1.00 63.02 N ATOM 1497 CA ALA A 99 7.637 -14.356 -1.564 1.00 23.43 C ATOM 1498 C ALA A 99 6.901 -15.224 -0.532 1.00 3.44 C ATOM 1499 O ALA A 99 7.181 -16.415 -0.388 1.00 64.44 O ATOM 1500 CB ALA A 99 8.888 -13.741 -0.943 1.00 43.20 C ATOM 0 H ALA A 99 7.088 -12.354 -1.903 1.00 63.02 H new ATOM 0 HA ALA A 99 7.927 -15.006 -2.390 1.00 23.43 H new ATOM 0 HB1 ALA A 99 9.521 -14.532 -0.541 1.00 43.20 H new ATOM 0 HB2 ALA A 99 9.438 -13.188 -1.704 1.00 43.20 H new ATOM 0 HB3 ALA A 99 8.600 -13.063 -0.139 1.00 43.20 H new ATOM 1506 N ILE A 100 5.957 -14.617 0.183 1.00 32.41 N ATOM 1507 CA ILE A 100 5.144 -15.331 1.176 1.00 4.34 C ATOM 1508 C ILE A 100 3.950 -16.057 0.515 1.00 13.24 C ATOM 1509 O ILE A 100 3.116 -16.658 1.195 1.00 73.13 O ATOM 1510 CB ILE A 100 4.600 -14.347 2.245 1.00 72.14 C ATOM 1511 CG1 ILE A 100 3.607 -13.374 1.587 1.00 31.12 C ATOM 1512 CG2 ILE A 100 5.751 -13.589 2.911 1.00 51.34 C ATOM 1513 CD1 ILE A 100 2.986 -12.377 2.533 1.00 62.41 C ATOM 0 H ILE A 100 5.732 -13.626 0.095 1.00 32.41 H new ATOM 0 HA ILE A 100 5.791 -16.071 1.647 1.00 4.34 H new ATOM 0 HB ILE A 100 4.080 -14.909 3.021 1.00 72.14 H new ATOM 0 HG12 ILE A 100 4.122 -12.831 0.794 1.00 31.12 H new ATOM 0 HG13 ILE A 100 2.812 -13.951 1.114 1.00 31.12 H new ATOM 0 HG21 ILE A 100 5.351 -12.903 3.658 1.00 51.34 H new ATOM 0 HG22 ILE A 100 6.423 -14.299 3.393 1.00 51.34 H new ATOM 0 HG23 ILE A 100 6.299 -13.024 2.157 1.00 51.34 H new ATOM 0 HD11 ILE A 100 2.300 -11.732 1.983 1.00 62.41 H new ATOM 0 HD12 ILE A 100 2.439 -12.907 3.313 1.00 62.41 H new ATOM 0 HD13 ILE A 100 3.769 -11.770 2.987 1.00 62.41 H new ATOM 1525 N GLY A 101 3.870 -15.984 -0.812 1.00 10.41 N ATOM 1526 CA GLY A 101 2.756 -16.590 -1.535 1.00 60.11 C ATOM 1527 C GLY A 101 1.423 -15.893 -1.267 1.00 65.32 C ATOM 1528 O GLY A 101 0.432 -16.539 -0.924 1.00 50.12 O ATOM 0 H GLY A 101 4.557 -15.516 -1.403 1.00 10.41 H new ATOM 0 HA2 GLY A 101 2.966 -16.563 -2.604 1.00 60.11 H new ATOM 0 HA3 GLY A 101 2.674 -17.640 -1.253 1.00 60.11 H new ATOM 1532 N GLY A 102 1.409 -14.566 -1.386 1.00 1.20 N ATOM 1533 CA GLY A 102 0.181 -13.801 -1.190 1.00 12.35 C ATOM 1534 C GLY A 102 -0.622 -13.597 -2.474 1.00 25.12 C ATOM 1535 O GLY A 102 -0.104 -13.795 -3.574 1.00 63.40 O ATOM 0 H GLY A 102 2.228 -14.003 -1.615 1.00 1.20 H new ATOM 0 HA2 GLY A 102 -0.444 -14.313 -0.458 1.00 12.35 H new ATOM 0 HA3 GLY A 102 0.432 -12.827 -0.769 1.00 12.35 H new ATOM 1539 N PRO A 103 -1.908 -13.202 -2.362 1.00 21.12 N ATOM 1540 CA PRO A 103 -2.762 -12.941 -3.534 1.00 51.22 C ATOM 1541 C PRO A 103 -2.349 -11.661 -4.282 1.00 50.11 C ATOM 1542 O PRO A 103 -2.426 -10.556 -3.735 1.00 13.22 O ATOM 1543 CB PRO A 103 -4.165 -12.795 -2.922 1.00 34.20 C ATOM 1544 CG PRO A 103 -3.924 -12.347 -1.518 1.00 3.25 C ATOM 1545 CD PRO A 103 -2.630 -12.992 -1.090 1.00 24.11 C ATOM 0 HA PRO A 103 -2.694 -13.732 -4.281 1.00 51.22 H new ATOM 0 HB2 PRO A 103 -4.763 -12.068 -3.472 1.00 34.20 H new ATOM 0 HB3 PRO A 103 -4.708 -13.740 -2.948 1.00 34.20 H new ATOM 0 HG2 PRO A 103 -3.855 -11.261 -1.462 1.00 3.25 H new ATOM 0 HG3 PRO A 103 -4.744 -12.649 -0.866 1.00 3.25 H new ATOM 0 HD2 PRO A 103 -2.068 -12.351 -0.411 1.00 24.11 H new ATOM 0 HD3 PRO A 103 -2.805 -13.933 -0.568 1.00 24.11 H new ATOM 1553 N THR A 104 -1.889 -11.809 -5.524 1.00 32.01 N ATOM 1554 CA THR A 104 -1.435 -10.658 -6.322 1.00 64.21 C ATOM 1555 C THR A 104 -2.220 -10.513 -7.632 1.00 72.22 C ATOM 1556 O THR A 104 -2.687 -11.493 -8.210 1.00 32.45 O ATOM 1557 CB THR A 104 0.069 -10.761 -6.681 1.00 62.22 C ATOM 1558 OG1 THR A 104 0.295 -11.863 -7.571 1.00 42.11 O ATOM 1559 CG2 THR A 104 0.928 -10.933 -5.434 1.00 42.32 C ATOM 0 H THR A 104 -1.819 -12.707 -6.002 1.00 32.01 H new ATOM 0 HA THR A 104 -1.609 -9.785 -5.693 1.00 64.21 H new ATOM 0 HB THR A 104 0.354 -9.830 -7.172 1.00 62.22 H new ATOM 0 HG1 THR A 104 1.249 -11.916 -7.791 1.00 42.11 H new ATOM 0 HG21 THR A 104 1.977 -11.002 -5.722 1.00 42.32 H new ATOM 0 HG22 THR A 104 0.788 -10.076 -4.775 1.00 42.32 H new ATOM 0 HG23 THR A 104 0.634 -11.844 -4.913 1.00 42.32 H new ATOM 1567 N GLU A 105 -2.356 -9.273 -8.095 1.00 60.54 N ATOM 1568 CA GLU A 105 -2.964 -8.982 -9.398 1.00 65.34 C ATOM 1569 C GLU A 105 -2.003 -8.197 -10.277 1.00 13.43 C ATOM 1570 O GLU A 105 -1.153 -7.457 -9.788 1.00 32.02 O ATOM 1571 CB GLU A 105 -4.262 -8.181 -9.244 1.00 72.10 C ATOM 1572 CG GLU A 105 -5.408 -8.983 -8.660 1.00 64.34 C ATOM 1573 CD GLU A 105 -6.653 -8.140 -8.422 1.00 55.13 C ATOM 1574 OE1 GLU A 105 -6.583 -7.175 -7.631 1.00 41.12 O ATOM 1575 OE2 GLU A 105 -7.700 -8.427 -9.040 1.00 32.00 O ATOM 0 H GLU A 105 -2.051 -8.444 -7.584 1.00 60.54 H new ATOM 0 HA GLU A 105 -3.192 -9.940 -9.866 1.00 65.34 H new ATOM 0 HB2 GLU A 105 -4.072 -7.318 -8.606 1.00 72.10 H new ATOM 0 HB3 GLU A 105 -4.559 -7.797 -10.220 1.00 72.10 H new ATOM 0 HG2 GLU A 105 -5.653 -9.803 -9.335 1.00 64.34 H new ATOM 0 HG3 GLU A 105 -5.091 -9.429 -7.718 1.00 64.34 H new ATOM 1582 N GLY A 106 -2.159 -8.343 -11.575 1.00 72.41 N ATOM 1583 CA GLY A 106 -1.314 -7.610 -12.502 1.00 22.21 C ATOM 1584 C GLY A 106 -1.271 -8.213 -13.894 1.00 32.42 C ATOM 1585 O GLY A 106 -1.528 -9.400 -14.078 1.00 31.55 O ATOM 0 H GLY A 106 -2.851 -8.952 -12.011 1.00 72.41 H new ATOM 0 HA2 GLY A 106 -1.671 -6.583 -12.571 1.00 22.21 H new ATOM 0 HA3 GLY A 106 -0.301 -7.569 -12.102 1.00 22.21 H new ATOM 1589 N ILE A 107 -0.944 -7.380 -14.875 1.00 54.50 N ATOM 1590 CA ILE A 107 -0.811 -7.811 -16.264 1.00 2.45 C ATOM 1591 C ILE A 107 0.341 -8.818 -16.407 1.00 63.33 C ATOM 1592 O ILE A 107 0.215 -9.831 -17.102 1.00 62.21 O ATOM 1593 CB ILE A 107 -0.563 -6.596 -17.197 1.00 43.54 C ATOM 1594 CG1 ILE A 107 -1.539 -5.455 -16.851 1.00 13.43 C ATOM 1595 CG2 ILE A 107 -0.701 -7.004 -18.666 1.00 44.25 C ATOM 1596 CD1 ILE A 107 -1.365 -4.211 -17.701 1.00 52.14 C ATOM 0 H ILE A 107 -0.763 -6.386 -14.731 1.00 54.50 H new ATOM 0 HA ILE A 107 -1.744 -8.293 -16.557 1.00 2.45 H new ATOM 0 HB ILE A 107 0.456 -6.240 -17.043 1.00 43.54 H new ATOM 0 HG12 ILE A 107 -2.560 -5.819 -16.963 1.00 13.43 H new ATOM 0 HG13 ILE A 107 -1.410 -5.186 -15.803 1.00 13.43 H new ATOM 0 HG21 ILE A 107 -0.523 -6.137 -19.303 1.00 44.25 H new ATOM 0 HG22 ILE A 107 0.028 -7.780 -18.898 1.00 44.25 H new ATOM 0 HG23 ILE A 107 -1.706 -7.385 -18.845 1.00 44.25 H new ATOM 0 HD11 ILE A 107 -2.089 -3.456 -17.394 1.00 52.14 H new ATOM 0 HD12 ILE A 107 -0.356 -3.820 -17.571 1.00 52.14 H new ATOM 0 HD13 ILE A 107 -1.525 -4.462 -18.750 1.00 52.14 H new ATOM 1608 N ILE A 108 1.467 -8.533 -15.744 1.00 11.32 N ATOM 1609 CA ILE A 108 2.593 -9.480 -15.707 1.00 31.13 C ATOM 1610 C ILE A 108 2.351 -10.602 -14.685 1.00 75.41 C ATOM 1611 O ILE A 108 2.689 -11.765 -14.922 1.00 24.14 O ATOM 1612 CB ILE A 108 3.943 -8.763 -15.418 1.00 52.53 C ATOM 1613 CG1 ILE A 108 4.445 -8.015 -16.671 1.00 14.04 C ATOM 1614 CG2 ILE A 108 5.002 -9.754 -14.933 1.00 55.35 C ATOM 1615 CD1 ILE A 108 3.513 -6.932 -17.181 1.00 54.13 C ATOM 0 H ILE A 108 1.625 -7.666 -15.231 1.00 11.32 H new ATOM 0 HA ILE A 108 2.659 -9.929 -16.698 1.00 31.13 H new ATOM 0 HB ILE A 108 3.768 -8.036 -14.625 1.00 52.53 H new ATOM 0 HG12 ILE A 108 5.412 -7.566 -16.446 1.00 14.04 H new ATOM 0 HG13 ILE A 108 4.608 -8.740 -17.469 1.00 14.04 H new ATOM 0 HG21 ILE A 108 5.935 -9.224 -14.739 1.00 55.35 H new ATOM 0 HG22 ILE A 108 4.659 -10.233 -14.016 1.00 55.35 H new ATOM 0 HG23 ILE A 108 5.168 -10.512 -15.698 1.00 55.35 H new ATOM 0 HD11 ILE A 108 3.949 -6.462 -18.063 1.00 54.13 H new ATOM 0 HD12 ILE A 108 2.551 -7.373 -17.443 1.00 54.13 H new ATOM 0 HD13 ILE A 108 3.368 -6.181 -16.404 1.00 54.13 H new