USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 739 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 47 THR OG1 : rot -77:sc= 0.197 USER MOD Set 1.2: A 49 MET CE :methyl 174:sc= -0.221 (180deg=-0.375) USER MOD Single : A 1 ILE N :NH3+ 147:sc= 0.0138 (180deg=-0.0193) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -38:sc= 0.584 USER MOD Single : A 8 ASN : amide:sc= -0.496 K(o=-0.5,f=-1) USER MOD Single : A 10 LYS NZ :NH3+ -137:sc= -0.27 (180deg=-2.03!) USER MOD Single : A 14 SER OG : rot -49:sc= 0.345 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 30 GLN : amide:sc= -1.83! K(o=-1.8!,f=0.23) USER MOD Single : A 32 THR OG1 : rot -150:sc= -1.09 USER MOD Single : A 36 ASN : amide:sc= -0.185 K(o=-0.19,f=-1.8) USER MOD Single : A 40 LYS NZ :NH3+ 139:sc= -1.05 (180deg=-3.46!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.964 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0653) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0704 (180deg=-0.324) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.3) USER MOD Single : A 68 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-2.2!) USER MOD Single : A 70 GLN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc=-0.00267 (180deg=-0.121) USER MOD Single : A 73 SER OG : rot 8:sc= 0.396 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0799 USER MOD Single : A 76 SER OG : rot 31:sc= 0.0885 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00361) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -22.830 13.723 0.036 1.00 53.44 N ATOM 2 CA ILE A 1 -21.678 14.099 0.885 1.00 40.13 C ATOM 3 C ILE A 1 -21.073 15.445 0.416 1.00 31.40 C ATOM 4 O ILE A 1 -20.992 15.701 -0.790 1.00 3.24 O ATOM 5 CB ILE A 1 -20.566 12.959 0.877 1.00 42.54 C ATOM 6 CG1 ILE A 1 -19.399 13.298 1.870 1.00 21.12 C ATOM 7 CG2 ILE A 1 -20.025 12.668 -0.558 1.00 4.40 C ATOM 8 CD1 ILE A 1 -18.264 12.291 1.924 1.00 12.43 C ATOM 0 H1 ILE A 1 -22.875 12.687 -0.050 1.00 53.44 H new ATOM 0 H2 ILE A 1 -23.709 14.073 0.468 1.00 53.44 H new ATOM 0 H3 ILE A 1 -22.717 14.144 -0.908 1.00 53.44 H new ATOM 0 HA ILE A 1 -22.038 14.216 1.907 1.00 40.13 H new ATOM 0 HB ILE A 1 -21.047 12.044 1.223 1.00 42.54 H new ATOM 0 HG12 ILE A 1 -18.985 14.269 1.597 1.00 21.12 H new ATOM 0 HG13 ILE A 1 -19.817 13.400 2.871 1.00 21.12 H new ATOM 0 HG21 ILE A 1 -19.270 11.884 -0.510 1.00 4.40 H new ATOM 0 HG22 ILE A 1 -20.846 12.343 -1.197 1.00 4.40 H new ATOM 0 HG23 ILE A 1 -19.581 13.574 -0.970 1.00 4.40 H new ATOM 0 HD11 ILE A 1 -17.515 12.626 2.641 1.00 12.43 H new ATOM 0 HD12 ILE A 1 -18.653 11.320 2.232 1.00 12.43 H new ATOM 0 HD13 ILE A 1 -17.808 12.203 0.938 1.00 12.43 H new ATOM 22 N LEU A 2 -20.675 16.303 1.377 1.00 3.32 N ATOM 23 CA LEU A 2 -19.864 17.514 1.107 1.00 33.35 C ATOM 24 C LEU A 2 -18.408 17.244 1.531 1.00 45.42 C ATOM 25 O LEU A 2 -18.122 16.218 2.157 1.00 24.03 O ATOM 26 CB LEU A 2 -20.485 18.757 1.833 1.00 40.32 C ATOM 27 CG LEU A 2 -20.708 18.669 3.402 1.00 65.43 C ATOM 28 CD1 LEU A 2 -19.413 18.939 4.213 1.00 1.43 C ATOM 29 CD2 LEU A 2 -21.837 19.618 3.868 1.00 14.55 C ATOM 0 H LEU A 2 -20.905 16.179 2.363 1.00 3.32 H new ATOM 0 HA LEU A 2 -19.866 17.745 0.042 1.00 33.35 H new ATOM 0 HB2 LEU A 2 -19.843 19.615 1.635 1.00 40.32 H new ATOM 0 HB3 LEU A 2 -21.449 18.967 1.370 1.00 40.32 H new ATOM 0 HG LEU A 2 -21.007 17.640 3.603 1.00 65.43 H new ATOM 0 HD11 LEU A 2 -19.629 18.865 5.279 1.00 1.43 H new ATOM 0 HD12 LEU A 2 -18.655 18.203 3.944 1.00 1.43 H new ATOM 0 HD13 LEU A 2 -19.044 19.939 3.986 1.00 1.43 H new ATOM 0 HD21 LEU A 2 -21.962 19.532 4.947 1.00 14.55 H new ATOM 0 HD22 LEU A 2 -21.577 20.645 3.614 1.00 14.55 H new ATOM 0 HD23 LEU A 2 -22.769 19.346 3.372 1.00 14.55 H new ATOM 41 N GLU A 3 -17.485 18.154 1.205 1.00 55.45 N ATOM 42 CA GLU A 3 -16.061 18.009 1.568 1.00 32.54 C ATOM 43 C GLU A 3 -15.488 19.328 2.089 1.00 50.34 C ATOM 44 O GLU A 3 -16.112 20.381 1.984 1.00 52.14 O ATOM 45 CB GLU A 3 -15.242 17.530 0.341 1.00 72.45 C ATOM 46 CG GLU A 3 -15.278 18.496 -0.865 1.00 32.11 C ATOM 47 CD GLU A 3 -14.374 18.056 -2.025 1.00 60.41 C ATOM 48 OE1 GLU A 3 -14.778 17.167 -2.791 1.00 5.30 O ATOM 49 OE2 GLU A 3 -13.261 18.604 -2.175 1.00 70.14 O ATOM 0 H GLU A 3 -17.695 19.007 0.687 1.00 55.45 H new ATOM 0 HA GLU A 3 -15.991 17.266 2.362 1.00 32.54 H new ATOM 0 HB2 GLU A 3 -14.205 17.386 0.645 1.00 72.45 H new ATOM 0 HB3 GLU A 3 -15.620 16.558 0.024 1.00 72.45 H new ATOM 0 HG2 GLU A 3 -16.304 18.579 -1.225 1.00 32.11 H new ATOM 0 HG3 GLU A 3 -14.975 19.490 -0.535 1.00 32.11 H new ATOM 56 N ALA A 4 -14.283 19.231 2.642 1.00 53.21 N ATOM 57 CA ALA A 4 -13.454 20.375 3.002 1.00 51.43 C ATOM 58 C ALA A 4 -12.015 20.035 2.621 1.00 65.03 C ATOM 59 O ALA A 4 -11.576 18.888 2.808 1.00 61.52 O ATOM 60 CB ALA A 4 -13.576 20.696 4.502 1.00 24.35 C ATOM 0 H ALA A 4 -13.846 18.335 2.857 1.00 53.21 H new ATOM 0 HA ALA A 4 -13.783 21.267 2.468 1.00 51.43 H new ATOM 0 HB1 ALA A 4 -12.947 21.553 4.743 1.00 24.35 H new ATOM 0 HB2 ALA A 4 -14.614 20.928 4.741 1.00 24.35 H new ATOM 0 HB3 ALA A 4 -13.253 19.834 5.086 1.00 24.35 H new ATOM 66 N HIS A 5 -11.296 21.016 2.064 1.00 72.51 N ATOM 67 CA HIS A 5 -9.886 20.857 1.696 1.00 62.15 C ATOM 68 C HIS A 5 -9.027 20.882 2.964 1.00 0.53 C ATOM 69 O HIS A 5 -8.662 21.957 3.464 1.00 12.12 O ATOM 70 CB HIS A 5 -9.450 21.953 0.687 1.00 11.41 C ATOM 71 CG HIS A 5 -10.164 21.850 -0.635 1.00 44.24 C ATOM 72 ND1 HIS A 5 -11.103 22.762 -1.064 1.00 62.34 N ATOM 73 CD2 HIS A 5 -10.068 20.928 -1.625 1.00 41.11 C ATOM 74 CE1 HIS A 5 -11.558 22.399 -2.244 1.00 23.22 C ATOM 75 NE2 HIS A 5 -10.945 21.297 -2.607 1.00 1.45 N ATOM 0 H HIS A 5 -11.675 21.940 1.856 1.00 72.51 H new ATOM 0 HA HIS A 5 -9.747 19.896 1.200 1.00 62.15 H new ATOM 0 HB2 HIS A 5 -9.639 22.935 1.121 1.00 11.41 H new ATOM 0 HB3 HIS A 5 -8.375 21.880 0.520 1.00 11.41 H new ATOM 0 HD2 HIS A 5 -9.420 20.064 -1.636 1.00 41.11 H new ATOM 0 HE1 HIS A 5 -12.310 22.921 -2.818 1.00 23.22 H new ATOM 0 HE2 HIS A 5 -11.098 20.796 -3.482 1.00 1.45 H new ATOM 84 N TYR A 6 -8.780 19.684 3.525 1.00 31.24 N ATOM 85 CA TYR A 6 -8.009 19.526 4.761 1.00 31.31 C ATOM 86 C TYR A 6 -6.528 19.765 4.468 1.00 23.12 C ATOM 87 O TYR A 6 -5.788 18.845 4.105 1.00 41.15 O ATOM 88 CB TYR A 6 -8.268 18.130 5.385 1.00 2.43 C ATOM 89 CG TYR A 6 -9.754 17.877 5.705 1.00 51.41 C ATOM 90 CD1 TYR A 6 -10.445 18.703 6.601 1.00 12.35 C ATOM 91 CD2 TYR A 6 -10.468 16.825 5.114 1.00 1.33 C ATOM 92 CE1 TYR A 6 -11.786 18.495 6.879 1.00 24.01 C ATOM 93 CE2 TYR A 6 -11.810 16.619 5.397 1.00 45.13 C ATOM 94 CZ TYR A 6 -12.461 17.451 6.278 1.00 52.43 C ATOM 95 OH TYR A 6 -13.798 17.256 6.546 1.00 71.44 O ATOM 0 H TYR A 6 -9.111 18.803 3.131 1.00 31.24 H new ATOM 0 HA TYR A 6 -8.329 20.265 5.496 1.00 31.31 H new ATOM 0 HB2 TYR A 6 -7.914 17.361 4.699 1.00 2.43 H new ATOM 0 HB3 TYR A 6 -7.684 18.034 6.300 1.00 2.43 H new ATOM 0 HD1 TYR A 6 -9.923 19.516 7.083 1.00 12.35 H new ATOM 0 HD2 TYR A 6 -9.964 16.163 4.426 1.00 1.33 H new ATOM 0 HE1 TYR A 6 -12.303 19.149 7.565 1.00 24.01 H new ATOM 0 HE2 TYR A 6 -12.343 15.806 4.926 1.00 45.13 H new ATOM 0 HH TYR A 6 -14.123 16.480 6.043 1.00 71.44 H new ATOM 105 N THR A 7 -6.123 21.043 4.599 1.00 62.20 N ATOM 106 CA THR A 7 -4.737 21.513 4.403 1.00 21.24 C ATOM 107 C THR A 7 -3.758 20.961 5.476 1.00 55.12 C ATOM 108 O THR A 7 -2.577 21.337 5.488 1.00 60.41 O ATOM 109 CB THR A 7 -4.679 23.087 4.383 1.00 1.54 C ATOM 110 OG1 THR A 7 -3.372 23.536 3.971 1.00 4.41 O ATOM 111 CG2 THR A 7 -5.020 23.713 5.759 1.00 21.12 C ATOM 0 H THR A 7 -6.765 21.795 4.850 1.00 62.20 H new ATOM 0 HA THR A 7 -4.413 21.125 3.437 1.00 21.24 H new ATOM 0 HB THR A 7 -5.433 23.417 3.669 1.00 1.54 H new ATOM 0 HG1 THR A 7 -2.689 22.944 4.349 1.00 4.41 H new ATOM 0 HG21 THR A 7 -4.965 24.799 5.688 1.00 21.12 H new ATOM 0 HG22 THR A 7 -6.028 23.419 6.053 1.00 21.12 H new ATOM 0 HG23 THR A 7 -4.308 23.361 6.505 1.00 21.12 H new ATOM 119 N ASN A 8 -4.278 20.106 6.386 1.00 22.53 N ATOM 120 CA ASN A 8 -3.494 19.330 7.365 1.00 23.41 C ATOM 121 C ASN A 8 -2.266 18.685 6.688 1.00 72.44 C ATOM 122 O ASN A 8 -2.388 17.674 5.983 1.00 12.33 O ATOM 123 CB ASN A 8 -4.397 18.233 8.004 1.00 35.25 C ATOM 124 CG ASN A 8 -5.715 18.761 8.589 1.00 1.52 C ATOM 125 OD1 ASN A 8 -6.748 18.086 8.526 1.00 44.13 O ATOM 126 ND2 ASN A 8 -5.711 19.951 9.177 1.00 54.04 N ATOM 0 H ASN A 8 -5.281 19.935 6.459 1.00 22.53 H new ATOM 0 HA ASN A 8 -3.138 20.002 8.146 1.00 23.41 H new ATOM 0 HB2 ASN A 8 -4.624 17.481 7.249 1.00 35.25 H new ATOM 0 HB3 ASN A 8 -3.837 17.733 8.794 1.00 35.25 H new ATOM 0 HD21 ASN A 8 -6.569 20.321 9.585 1.00 54.04 H new ATOM 0 HD22 ASN A 8 -4.850 20.495 9.220 1.00 54.04 H new ATOM 133 N LEU A 9 -1.102 19.333 6.870 1.00 73.32 N ATOM 134 CA LEU A 9 0.148 18.974 6.190 1.00 54.54 C ATOM 135 C LEU A 9 0.809 17.795 6.924 1.00 64.54 C ATOM 136 O LEU A 9 1.722 17.964 7.747 1.00 30.52 O ATOM 137 CB LEU A 9 1.083 20.215 6.108 1.00 40.11 C ATOM 138 CG LEU A 9 2.315 20.103 5.153 1.00 22.44 C ATOM 139 CD1 LEU A 9 1.876 19.918 3.680 1.00 24.23 C ATOM 140 CD2 LEU A 9 3.249 21.322 5.319 1.00 74.20 C ATOM 0 H LEU A 9 -1.005 20.129 7.501 1.00 73.32 H new ATOM 0 HA LEU A 9 -0.058 18.657 5.168 1.00 54.54 H new ATOM 0 HB2 LEU A 9 0.486 21.071 5.794 1.00 40.11 H new ATOM 0 HB3 LEU A 9 1.449 20.432 7.111 1.00 40.11 H new ATOM 0 HG LEU A 9 2.877 19.212 5.433 1.00 22.44 H new ATOM 0 HD11 LEU A 9 2.758 19.844 3.044 1.00 24.23 H new ATOM 0 HD12 LEU A 9 1.285 19.007 3.588 1.00 24.23 H new ATOM 0 HD13 LEU A 9 1.276 20.773 3.369 1.00 24.23 H new ATOM 0 HD21 LEU A 9 4.100 21.223 4.645 1.00 74.20 H new ATOM 0 HD22 LEU A 9 2.702 22.234 5.082 1.00 74.20 H new ATOM 0 HD23 LEU A 9 3.605 21.370 6.348 1.00 74.20 H new ATOM 152 N LYS A 10 0.253 16.607 6.674 1.00 32.54 N ATOM 153 CA LYS A 10 0.725 15.345 7.245 1.00 34.30 C ATOM 154 C LYS A 10 0.609 14.237 6.202 1.00 12.34 C ATOM 155 O LYS A 10 -0.209 14.322 5.273 1.00 24.15 O ATOM 156 CB LYS A 10 -0.092 14.958 8.517 1.00 65.43 C ATOM 157 CG LYS A 10 -1.606 14.714 8.277 1.00 63.34 C ATOM 158 CD LYS A 10 -2.366 14.142 9.509 1.00 50.33 C ATOM 159 CE LYS A 10 -2.517 15.135 10.691 1.00 41.54 C ATOM 160 NZ LYS A 10 -1.253 15.368 11.451 1.00 32.00 N ATOM 0 H LYS A 10 -0.552 16.494 6.058 1.00 32.54 H new ATOM 0 HA LYS A 10 1.767 15.471 7.537 1.00 34.30 H new ATOM 0 HB2 LYS A 10 0.342 14.056 8.948 1.00 65.43 H new ATOM 0 HB3 LYS A 10 0.020 15.751 9.257 1.00 65.43 H new ATOM 0 HG2 LYS A 10 -2.071 15.655 7.982 1.00 63.34 H new ATOM 0 HG3 LYS A 10 -1.723 14.025 7.441 1.00 63.34 H new ATOM 0 HD2 LYS A 10 -3.358 13.822 9.191 1.00 50.33 H new ATOM 0 HD3 LYS A 10 -1.843 13.254 9.862 1.00 50.33 H new ATOM 0 HE2 LYS A 10 -2.880 16.089 10.307 1.00 41.54 H new ATOM 0 HE3 LYS A 10 -3.276 14.757 11.375 1.00 41.54 H new ATOM 0 HZ1 LYS A 10 -1.456 15.367 12.471 1.00 32.00 H new ATOM 0 HZ2 LYS A 10 -0.572 14.613 11.232 1.00 32.00 H new ATOM 0 HZ3 LYS A 10 -0.849 16.287 11.180 1.00 32.00 H new ATOM 174 N CYS A 11 1.430 13.204 6.372 1.00 24.24 N ATOM 175 CA CYS A 11 1.349 11.977 5.589 1.00 73.43 C ATOM 176 C CYS A 11 0.023 11.260 5.932 1.00 63.01 C ATOM 177 O CYS A 11 -0.355 11.186 7.105 1.00 32.24 O ATOM 178 CB CYS A 11 2.581 11.094 5.904 1.00 74.31 C ATOM 179 SG CYS A 11 4.181 11.904 5.526 1.00 33.52 S ATOM 0 H CYS A 11 2.178 13.197 7.065 1.00 24.24 H new ATOM 0 HA CYS A 11 1.356 12.191 4.520 1.00 73.43 H new ATOM 0 HB2 CYS A 11 2.562 10.821 6.959 1.00 74.31 H new ATOM 0 HB3 CYS A 11 2.509 10.168 5.334 1.00 74.31 H new ATOM 184 N ARG A 12 -0.711 10.809 4.905 1.00 13.31 N ATOM 185 CA ARG A 12 -1.972 10.060 5.096 1.00 72.42 C ATOM 186 C ARG A 12 -1.648 8.574 5.340 1.00 24.14 C ATOM 187 O ARG A 12 -0.889 7.980 4.571 1.00 11.13 O ATOM 188 CB ARG A 12 -2.926 10.233 3.863 1.00 35.25 C ATOM 189 CG ARG A 12 -3.844 11.490 3.905 1.00 51.52 C ATOM 190 CD ARG A 12 -3.093 12.840 3.875 1.00 24.23 C ATOM 191 NE ARG A 12 -4.037 13.972 3.982 1.00 42.33 N ATOM 192 CZ ARG A 12 -3.707 15.278 4.005 1.00 43.54 C ATOM 193 NH1 ARG A 12 -2.439 15.673 3.923 1.00 62.15 N ATOM 194 NH2 ARG A 12 -4.670 16.190 4.126 1.00 0.01 N ATOM 0 H ARG A 12 -0.456 10.948 3.927 1.00 13.31 H new ATOM 0 HA ARG A 12 -2.494 10.460 5.965 1.00 72.42 H new ATOM 0 HB2 ARG A 12 -2.320 10.276 2.958 1.00 35.25 H new ATOM 0 HB3 ARG A 12 -3.555 9.346 3.783 1.00 35.25 H new ATOM 0 HG2 ARG A 12 -4.528 11.452 3.057 1.00 51.52 H new ATOM 0 HG3 ARG A 12 -4.453 11.448 4.808 1.00 51.52 H new ATOM 0 HD2 ARG A 12 -2.376 12.880 4.695 1.00 24.23 H new ATOM 0 HD3 ARG A 12 -2.523 12.923 2.950 1.00 24.23 H new ATOM 0 HE ARG A 12 -5.029 13.744 4.044 1.00 42.33 H new ATOM 0 HH11 ARG A 12 -1.694 14.981 3.841 1.00 62.15 H new ATOM 0 HH12 ARG A 12 -2.212 16.667 3.942 1.00 62.15 H new ATOM 0 HH21 ARG A 12 -5.644 15.896 4.200 1.00 0.01 H new ATOM 0 HH22 ARG A 12 -4.433 17.182 4.145 1.00 0.01 H new ATOM 208 N CYS A 13 -2.202 8.001 6.428 1.00 65.41 N ATOM 209 CA CYS A 13 -2.124 6.555 6.712 1.00 53.35 C ATOM 210 C CYS A 13 -3.418 6.077 7.376 1.00 73.23 C ATOM 211 O CYS A 13 -3.927 6.709 8.310 1.00 2.14 O ATOM 212 CB CYS A 13 -0.924 6.202 7.604 1.00 50.02 C ATOM 213 SG CYS A 13 -0.742 4.419 7.959 1.00 63.41 S ATOM 0 H CYS A 13 -2.716 8.528 7.134 1.00 65.41 H new ATOM 0 HA CYS A 13 -1.988 6.046 5.758 1.00 53.35 H new ATOM 0 HB2 CYS A 13 -0.013 6.559 7.123 1.00 50.02 H new ATOM 0 HB3 CYS A 13 -1.018 6.740 8.548 1.00 50.02 H new ATOM 218 N SER A 14 -3.932 4.945 6.871 1.00 41.34 N ATOM 219 CA SER A 14 -5.117 4.244 7.397 1.00 34.32 C ATOM 220 C SER A 14 -4.724 3.240 8.530 1.00 62.14 C ATOM 221 O SER A 14 -5.383 2.205 8.716 1.00 75.11 O ATOM 222 CB SER A 14 -5.803 3.527 6.194 1.00 12.12 C ATOM 223 OG SER A 14 -7.044 2.951 6.546 1.00 14.03 O ATOM 0 H SER A 14 -3.524 4.477 6.062 1.00 41.34 H new ATOM 0 HA SER A 14 -5.811 4.950 7.853 1.00 34.32 H new ATOM 0 HB2 SER A 14 -5.954 4.243 5.386 1.00 12.12 H new ATOM 0 HB3 SER A 14 -5.141 2.750 5.812 1.00 12.12 H new ATOM 0 HG SER A 14 -6.938 2.417 7.361 1.00 14.03 H new ATOM 229 N GLY A 15 -3.658 3.569 9.295 1.00 54.11 N ATOM 230 CA GLY A 15 -3.190 2.735 10.410 1.00 2.23 C ATOM 231 C GLY A 15 -2.267 1.611 9.947 1.00 10.21 C ATOM 232 O GLY A 15 -1.435 1.814 9.067 1.00 22.00 O ATOM 0 H GLY A 15 -3.106 4.415 9.153 1.00 54.11 H new ATOM 0 HA2 GLY A 15 -2.664 3.360 11.132 1.00 2.23 H new ATOM 0 HA3 GLY A 15 -4.049 2.307 10.926 1.00 2.23 H new ATOM 236 N VAL A 16 -2.394 0.433 10.575 1.00 64.21 N ATOM 237 CA VAL A 16 -1.685 -0.801 10.168 1.00 13.24 C ATOM 238 C VAL A 16 -2.722 -1.931 10.095 1.00 73.33 C ATOM 239 O VAL A 16 -3.545 -2.068 11.009 1.00 11.04 O ATOM 240 CB VAL A 16 -0.525 -1.197 11.170 1.00 61.04 C ATOM 241 CG1 VAL A 16 0.200 -2.487 10.713 1.00 30.12 C ATOM 242 CG2 VAL A 16 0.489 -0.038 11.361 1.00 40.33 C ATOM 0 H VAL A 16 -2.996 0.303 11.388 1.00 64.21 H new ATOM 0 HA VAL A 16 -1.211 -0.630 9.201 1.00 13.24 H new ATOM 0 HB VAL A 16 -0.991 -1.394 12.135 1.00 61.04 H new ATOM 0 HG11 VAL A 16 0.991 -2.731 11.423 1.00 30.12 H new ATOM 0 HG12 VAL A 16 -0.514 -3.309 10.668 1.00 30.12 H new ATOM 0 HG13 VAL A 16 0.635 -2.330 9.726 1.00 30.12 H new ATOM 0 HG21 VAL A 16 1.270 -0.348 12.055 1.00 40.33 H new ATOM 0 HG22 VAL A 16 0.937 0.215 10.400 1.00 40.33 H new ATOM 0 HG23 VAL A 16 -0.027 0.835 11.762 1.00 40.33 H new ATOM 252 N ILE A 17 -2.699 -2.721 9.008 1.00 3.44 N ATOM 253 CA ILE A 17 -3.697 -3.791 8.770 1.00 14.35 C ATOM 254 C ILE A 17 -3.017 -5.151 8.531 1.00 61.24 C ATOM 255 O ILE A 17 -1.872 -5.215 8.067 1.00 73.54 O ATOM 256 CB ILE A 17 -4.719 -3.403 7.604 1.00 65.33 C ATOM 257 CG1 ILE A 17 -4.016 -2.889 6.287 1.00 62.02 C ATOM 258 CG2 ILE A 17 -5.736 -2.348 8.116 1.00 10.22 C ATOM 259 CD1 ILE A 17 -3.345 -3.946 5.421 1.00 73.20 C ATOM 0 H ILE A 17 -1.997 -2.642 8.272 1.00 3.44 H new ATOM 0 HA ILE A 17 -4.293 -3.892 9.677 1.00 14.35 H new ATOM 0 HB ILE A 17 -5.237 -4.323 7.332 1.00 65.33 H new ATOM 0 HG12 ILE A 17 -4.761 -2.373 5.681 1.00 62.02 H new ATOM 0 HG13 ILE A 17 -3.265 -2.150 6.567 1.00 62.02 H new ATOM 0 HG21 ILE A 17 -6.428 -2.090 7.314 1.00 10.22 H new ATOM 0 HG22 ILE A 17 -6.293 -2.758 8.958 1.00 10.22 H new ATOM 0 HG23 ILE A 17 -5.202 -1.453 8.436 1.00 10.22 H new ATOM 0 HD11 ILE A 17 -2.899 -3.471 4.547 1.00 73.20 H new ATOM 0 HD12 ILE A 17 -2.568 -4.449 5.997 1.00 73.20 H new ATOM 0 HD13 ILE A 17 -4.087 -4.676 5.098 1.00 73.20 H new ATOM 271 N SER A 18 -3.724 -6.228 8.910 1.00 44.33 N ATOM 272 CA SER A 18 -3.305 -7.623 8.673 1.00 62.21 C ATOM 273 C SER A 18 -3.983 -8.196 7.416 1.00 61.20 C ATOM 274 O SER A 18 -3.789 -9.369 7.082 1.00 25.34 O ATOM 275 CB SER A 18 -3.652 -8.490 9.907 1.00 55.12 C ATOM 276 OG SER A 18 -2.990 -8.020 11.069 1.00 33.25 O ATOM 0 H SER A 18 -4.617 -6.155 9.397 1.00 44.33 H new ATOM 0 HA SER A 18 -2.227 -7.637 8.513 1.00 62.21 H new ATOM 0 HB2 SER A 18 -4.730 -8.479 10.070 1.00 55.12 H new ATOM 0 HB3 SER A 18 -3.369 -9.525 9.718 1.00 55.12 H new ATOM 0 HG SER A 18 -3.229 -8.585 11.833 1.00 33.25 H new ATOM 282 N THR A 19 -4.780 -7.359 6.731 1.00 14.42 N ATOM 283 CA THR A 19 -5.541 -7.763 5.555 1.00 51.22 C ATOM 284 C THR A 19 -4.592 -7.900 4.350 1.00 4.00 C ATOM 285 O THR A 19 -4.203 -6.898 3.735 1.00 11.31 O ATOM 286 CB THR A 19 -6.678 -6.725 5.257 1.00 2.05 C ATOM 287 OG1 THR A 19 -7.387 -6.418 6.472 1.00 42.15 O ATOM 288 CG2 THR A 19 -7.677 -7.241 4.201 1.00 2.14 C ATOM 0 H THR A 19 -4.910 -6.380 6.985 1.00 14.42 H new ATOM 0 HA THR A 19 -6.010 -8.729 5.743 1.00 51.22 H new ATOM 0 HB THR A 19 -6.203 -5.829 4.857 1.00 2.05 H new ATOM 0 HG1 THR A 19 -8.095 -5.768 6.282 1.00 42.15 H new ATOM 0 HG21 THR A 19 -8.446 -6.488 4.028 1.00 2.14 H new ATOM 0 HG22 THR A 19 -7.149 -7.441 3.268 1.00 2.14 H new ATOM 0 HG23 THR A 19 -8.143 -8.159 4.559 1.00 2.14 H new ATOM 296 N VAL A 20 -4.179 -9.150 4.071 1.00 53.52 N ATOM 297 CA VAL A 20 -3.394 -9.479 2.875 1.00 52.40 C ATOM 298 C VAL A 20 -4.349 -9.417 1.677 1.00 55.44 C ATOM 299 O VAL A 20 -5.251 -10.258 1.539 1.00 15.43 O ATOM 300 CB VAL A 20 -2.714 -10.906 2.978 1.00 45.31 C ATOM 301 CG1 VAL A 20 -2.027 -11.309 1.641 1.00 44.30 C ATOM 302 CG2 VAL A 20 -1.700 -10.956 4.153 1.00 53.53 C ATOM 0 H VAL A 20 -4.380 -9.953 4.666 1.00 53.52 H new ATOM 0 HA VAL A 20 -2.577 -8.766 2.765 1.00 52.40 H new ATOM 0 HB VAL A 20 -3.504 -11.630 3.177 1.00 45.31 H new ATOM 0 HG11 VAL A 20 -1.571 -12.293 1.748 1.00 44.30 H new ATOM 0 HG12 VAL A 20 -2.770 -11.338 0.844 1.00 44.30 H new ATOM 0 HG13 VAL A 20 -1.258 -10.578 1.392 1.00 44.30 H new ATOM 0 HG21 VAL A 20 -1.248 -11.947 4.201 1.00 53.53 H new ATOM 0 HG22 VAL A 20 -0.922 -10.209 3.994 1.00 53.53 H new ATOM 0 HG23 VAL A 20 -2.218 -10.747 5.089 1.00 53.53 H new ATOM 312 N VAL A 21 -4.159 -8.399 0.838 1.00 42.35 N ATOM 313 CA VAL A 21 -5.056 -8.098 -0.285 1.00 41.25 C ATOM 314 C VAL A 21 -4.453 -8.627 -1.595 1.00 3.04 C ATOM 315 O VAL A 21 -3.235 -8.539 -1.806 1.00 43.23 O ATOM 316 CB VAL A 21 -5.330 -6.548 -0.363 1.00 72.20 C ATOM 317 CG1 VAL A 21 -6.172 -6.162 -1.598 1.00 42.14 C ATOM 318 CG2 VAL A 21 -6.015 -6.057 0.939 1.00 60.22 C ATOM 0 H VAL A 21 -3.373 -7.753 0.916 1.00 42.35 H new ATOM 0 HA VAL A 21 -6.011 -8.598 -0.127 1.00 41.25 H new ATOM 0 HB VAL A 21 -4.365 -6.053 -0.469 1.00 72.20 H new ATOM 0 HG11 VAL A 21 -6.333 -5.084 -1.606 1.00 42.14 H new ATOM 0 HG12 VAL A 21 -5.644 -6.457 -2.505 1.00 42.14 H new ATOM 0 HG13 VAL A 21 -7.134 -6.672 -1.556 1.00 42.14 H new ATOM 0 HG21 VAL A 21 -6.198 -4.985 0.872 1.00 60.22 H new ATOM 0 HG22 VAL A 21 -6.962 -6.580 1.071 1.00 60.22 H new ATOM 0 HG23 VAL A 21 -5.366 -6.261 1.791 1.00 60.22 H new ATOM 328 N GLY A 22 -5.327 -9.202 -2.447 1.00 75.24 N ATOM 329 CA GLY A 22 -4.934 -9.742 -3.739 1.00 54.44 C ATOM 330 C GLY A 22 -4.426 -8.666 -4.693 1.00 44.13 C ATOM 331 O GLY A 22 -5.039 -7.594 -4.810 1.00 51.21 O ATOM 0 H GLY A 22 -6.322 -9.299 -2.246 1.00 75.24 H new ATOM 0 HA2 GLY A 22 -4.156 -10.491 -3.594 1.00 54.44 H new ATOM 0 HA3 GLY A 22 -5.786 -10.250 -4.191 1.00 54.44 H new ATOM 335 N LEU A 23 -3.322 -8.985 -5.396 1.00 71.51 N ATOM 336 CA LEU A 23 -2.642 -8.059 -6.337 1.00 4.02 C ATOM 337 C LEU A 23 -3.596 -7.652 -7.481 1.00 44.44 C ATOM 338 O LEU A 23 -3.517 -6.535 -8.006 1.00 11.05 O ATOM 339 CB LEU A 23 -1.318 -8.687 -6.897 1.00 4.41 C ATOM 340 CG LEU A 23 -0.036 -8.582 -5.988 1.00 64.53 C ATOM 341 CD1 LEU A 23 -0.201 -9.264 -4.607 1.00 54.42 C ATOM 342 CD2 LEU A 23 1.201 -9.142 -6.722 1.00 52.42 C ATOM 0 H LEU A 23 -2.870 -9.897 -5.330 1.00 71.51 H new ATOM 0 HA LEU A 23 -2.368 -7.159 -5.787 1.00 4.02 H new ATOM 0 HB2 LEU A 23 -1.503 -9.742 -7.101 1.00 4.41 H new ATOM 0 HB3 LEU A 23 -1.096 -8.212 -7.852 1.00 4.41 H new ATOM 0 HG LEU A 23 0.109 -7.520 -5.791 1.00 64.53 H new ATOM 0 HD11 LEU A 23 0.720 -9.153 -4.034 1.00 54.42 H new ATOM 0 HD12 LEU A 23 -1.024 -8.796 -4.066 1.00 54.42 H new ATOM 0 HD13 LEU A 23 -0.415 -10.323 -4.748 1.00 54.42 H new ATOM 0 HD21 LEU A 23 2.075 -9.060 -6.076 1.00 52.42 H new ATOM 0 HD22 LEU A 23 1.032 -10.189 -6.973 1.00 52.42 H new ATOM 0 HD23 LEU A 23 1.370 -8.573 -7.636 1.00 52.42 H new ATOM 354 N ASN A 24 -4.523 -8.575 -7.799 1.00 44.20 N ATOM 355 CA ASN A 24 -5.567 -8.416 -8.830 1.00 74.42 C ATOM 356 C ASN A 24 -6.475 -7.186 -8.580 1.00 44.53 C ATOM 357 O ASN A 24 -6.931 -6.553 -9.536 1.00 62.35 O ATOM 358 CB ASN A 24 -6.407 -9.732 -8.888 1.00 60.01 C ATOM 359 CG ASN A 24 -7.613 -9.677 -9.832 1.00 70.23 C ATOM 360 OD1 ASN A 24 -8.728 -9.337 -9.425 1.00 13.23 O ATOM 361 ND2 ASN A 24 -7.400 -9.970 -11.104 1.00 21.40 N ATOM 0 H ASN A 24 -4.568 -9.480 -7.331 1.00 44.20 H new ATOM 0 HA ASN A 24 -5.082 -8.234 -9.789 1.00 74.42 H new ATOM 0 HB2 ASN A 24 -5.756 -10.550 -9.198 1.00 60.01 H new ATOM 0 HB3 ASN A 24 -6.759 -9.968 -7.884 1.00 60.01 H new ATOM 0 HD21 ASN A 24 -8.167 -9.918 -11.775 1.00 21.40 H new ATOM 0 HD22 ASN A 24 -6.469 -10.248 -11.414 1.00 21.40 H new ATOM 368 N ILE A 25 -6.725 -6.846 -7.296 1.00 51.23 N ATOM 369 CA ILE A 25 -7.671 -5.758 -6.926 1.00 13.12 C ATOM 370 C ILE A 25 -6.938 -4.533 -6.344 1.00 2.04 C ATOM 371 O ILE A 25 -7.584 -3.588 -5.883 1.00 73.24 O ATOM 372 CB ILE A 25 -8.808 -6.259 -5.948 1.00 43.42 C ATOM 373 CG1 ILE A 25 -8.229 -6.754 -4.584 1.00 25.40 C ATOM 374 CG2 ILE A 25 -9.656 -7.371 -6.622 1.00 2.03 C ATOM 375 CD1 ILE A 25 -9.273 -7.142 -3.547 1.00 44.55 C ATOM 0 H ILE A 25 -6.288 -7.305 -6.497 1.00 51.23 H new ATOM 0 HA ILE A 25 -8.156 -5.445 -7.851 1.00 13.12 H new ATOM 0 HB ILE A 25 -9.454 -5.407 -5.734 1.00 43.42 H new ATOM 0 HG12 ILE A 25 -7.586 -7.614 -4.770 1.00 25.40 H new ATOM 0 HG13 ILE A 25 -7.599 -5.969 -4.167 1.00 25.40 H new ATOM 0 HG21 ILE A 25 -10.433 -7.703 -5.934 1.00 2.03 H new ATOM 0 HG22 ILE A 25 -10.117 -6.978 -7.528 1.00 2.03 H new ATOM 0 HG23 ILE A 25 -9.014 -8.214 -6.878 1.00 2.03 H new ATOM 0 HD11 ILE A 25 -8.775 -7.472 -2.635 1.00 44.55 H new ATOM 0 HD12 ILE A 25 -9.903 -6.281 -3.325 1.00 44.55 H new ATOM 0 HD13 ILE A 25 -9.890 -7.952 -3.937 1.00 44.55 H new ATOM 387 N ILE A 26 -5.591 -4.547 -6.396 1.00 64.32 N ATOM 388 CA ILE A 26 -4.760 -3.363 -6.094 1.00 45.12 C ATOM 389 C ILE A 26 -4.871 -2.374 -7.278 1.00 31.14 C ATOM 390 O ILE A 26 -4.398 -2.672 -8.387 1.00 55.42 O ATOM 391 CB ILE A 26 -3.250 -3.771 -5.852 1.00 20.51 C ATOM 392 CG1 ILE A 26 -3.095 -4.756 -4.638 1.00 23.43 C ATOM 393 CG2 ILE A 26 -2.333 -2.528 -5.682 1.00 34.42 C ATOM 394 CD1 ILE A 26 -3.453 -4.199 -3.269 1.00 14.31 C ATOM 0 H ILE A 26 -5.050 -5.375 -6.647 1.00 64.32 H new ATOM 0 HA ILE A 26 -5.119 -2.893 -5.178 1.00 45.12 H new ATOM 0 HB ILE A 26 -2.924 -4.300 -6.748 1.00 20.51 H new ATOM 0 HG12 ILE A 26 -3.718 -5.631 -4.825 1.00 23.43 H new ATOM 0 HG13 ILE A 26 -2.062 -5.101 -4.607 1.00 23.43 H new ATOM 0 HG21 ILE A 26 -1.306 -2.853 -5.518 1.00 34.42 H new ATOM 0 HG22 ILE A 26 -2.380 -1.915 -6.582 1.00 34.42 H new ATOM 0 HG23 ILE A 26 -2.669 -1.942 -4.826 1.00 34.42 H new ATOM 0 HD11 ILE A 26 -3.306 -4.970 -2.513 1.00 14.31 H new ATOM 0 HD12 ILE A 26 -2.814 -3.345 -3.045 1.00 14.31 H new ATOM 0 HD13 ILE A 26 -4.496 -3.882 -3.266 1.00 14.31 H new ATOM 406 N ASP A 27 -5.521 -1.218 -7.041 1.00 74.51 N ATOM 407 CA ASP A 27 -5.807 -0.212 -8.089 1.00 21.51 C ATOM 408 C ASP A 27 -4.622 0.744 -8.258 1.00 4.40 C ATOM 409 O ASP A 27 -4.072 0.879 -9.359 1.00 52.43 O ATOM 410 CB ASP A 27 -7.084 0.589 -7.729 1.00 41.44 C ATOM 411 CG ASP A 27 -7.454 1.698 -8.741 1.00 71.33 C ATOM 412 OD1 ASP A 27 -7.132 2.883 -8.498 1.00 71.14 O ATOM 413 OD2 ASP A 27 -8.068 1.388 -9.787 1.00 13.51 O ATOM 0 H ASP A 27 -5.864 -0.953 -6.118 1.00 74.51 H new ATOM 0 HA ASP A 27 -5.969 -0.736 -9.031 1.00 21.51 H new ATOM 0 HB2 ASP A 27 -7.921 -0.104 -7.647 1.00 41.44 H new ATOM 0 HB3 ASP A 27 -6.948 1.042 -6.747 1.00 41.44 H new ATOM 418 N ARG A 28 -4.229 1.400 -7.155 1.00 60.42 N ATOM 419 CA ARG A 28 -3.187 2.437 -7.191 1.00 61.05 C ATOM 420 C ARG A 28 -2.497 2.531 -5.822 1.00 4.22 C ATOM 421 O ARG A 28 -3.160 2.492 -4.781 1.00 42.14 O ATOM 422 CB ARG A 28 -3.817 3.801 -7.610 1.00 3.53 C ATOM 423 CG ARG A 28 -2.816 4.855 -8.146 1.00 52.43 C ATOM 424 CD ARG A 28 -3.527 6.116 -8.679 1.00 44.15 C ATOM 425 NE ARG A 28 -4.595 5.784 -9.661 1.00 62.20 N ATOM 426 CZ ARG A 28 -4.657 6.203 -10.939 1.00 15.44 C ATOM 427 NH1 ARG A 28 -3.714 6.984 -11.454 1.00 31.20 N ATOM 428 NH2 ARG A 28 -5.678 5.824 -11.705 1.00 12.11 N ATOM 0 H ARG A 28 -4.617 1.230 -6.227 1.00 60.42 H new ATOM 0 HA ARG A 28 -2.430 2.174 -7.930 1.00 61.05 H new ATOM 0 HB2 ARG A 28 -4.569 3.615 -8.377 1.00 3.53 H new ATOM 0 HB3 ARG A 28 -4.337 4.222 -6.749 1.00 3.53 H new ATOM 0 HG2 ARG A 28 -2.127 5.138 -7.350 1.00 52.43 H new ATOM 0 HG3 ARG A 28 -2.218 4.413 -8.943 1.00 52.43 H new ATOM 0 HD2 ARG A 28 -3.961 6.667 -7.845 1.00 44.15 H new ATOM 0 HD3 ARG A 28 -2.795 6.773 -9.149 1.00 44.15 H new ATOM 0 HE ARG A 28 -5.351 5.182 -9.335 1.00 62.20 H new ATOM 0 HH11 ARG A 28 -2.924 7.277 -10.879 1.00 31.20 H new ATOM 0 HH12 ARG A 28 -3.780 7.291 -12.425 1.00 31.20 H new ATOM 0 HH21 ARG A 28 -6.406 5.221 -11.323 1.00 12.11 H new ATOM 0 HH22 ARG A 28 -5.732 6.137 -12.674 1.00 12.11 H new ATOM 442 N ILE A 29 -1.165 2.673 -5.846 1.00 4.30 N ATOM 443 CA ILE A 29 -0.323 2.742 -4.639 1.00 70.31 C ATOM 444 C ILE A 29 0.142 4.190 -4.465 1.00 64.31 C ATOM 445 O ILE A 29 0.651 4.799 -5.415 1.00 13.43 O ATOM 446 CB ILE A 29 0.945 1.821 -4.790 1.00 51.23 C ATOM 447 CG1 ILE A 29 0.531 0.354 -5.119 1.00 23.22 C ATOM 448 CG2 ILE A 29 1.850 1.881 -3.521 1.00 40.40 C ATOM 449 CD1 ILE A 29 1.689 -0.548 -5.500 1.00 73.31 C ATOM 0 H ILE A 29 -0.633 2.744 -6.714 1.00 4.30 H new ATOM 0 HA ILE A 29 -0.900 2.405 -3.778 1.00 70.31 H new ATOM 0 HB ILE A 29 1.532 2.201 -5.626 1.00 51.23 H new ATOM 0 HG12 ILE A 29 0.023 -0.071 -4.253 1.00 23.22 H new ATOM 0 HG13 ILE A 29 -0.190 0.366 -5.937 1.00 23.22 H new ATOM 0 HG21 ILE A 29 2.716 1.233 -3.660 1.00 40.40 H new ATOM 0 HG22 ILE A 29 2.185 2.906 -3.361 1.00 40.40 H new ATOM 0 HG23 ILE A 29 1.282 1.546 -2.653 1.00 40.40 H new ATOM 0 HD11 ILE A 29 1.315 -1.550 -5.713 1.00 73.31 H new ATOM 0 HD12 ILE A 29 2.184 -0.150 -6.385 1.00 73.31 H new ATOM 0 HD13 ILE A 29 2.401 -0.594 -4.676 1.00 73.31 H new ATOM 461 N GLN A 30 -0.056 4.736 -3.265 1.00 1.32 N ATOM 462 CA GLN A 30 0.431 6.067 -2.891 1.00 12.13 C ATOM 463 C GLN A 30 1.438 5.916 -1.749 1.00 60.34 C ATOM 464 O GLN A 30 1.227 5.127 -0.815 1.00 54.14 O ATOM 465 CB GLN A 30 -0.735 6.993 -2.453 1.00 5.23 C ATOM 466 CG GLN A 30 -1.870 7.144 -3.484 1.00 74.13 C ATOM 467 CD GLN A 30 -2.903 8.226 -3.137 1.00 2.55 C ATOM 468 OE1 GLN A 30 -3.505 8.829 -4.027 1.00 21.44 O ATOM 469 NE2 GLN A 30 -3.134 8.480 -1.848 1.00 31.22 N ATOM 0 H GLN A 30 -0.564 4.263 -2.517 1.00 1.32 H new ATOM 0 HA GLN A 30 0.907 6.526 -3.757 1.00 12.13 H new ATOM 0 HB2 GLN A 30 -1.157 6.607 -1.525 1.00 5.23 H new ATOM 0 HB3 GLN A 30 -0.331 7.981 -2.233 1.00 5.23 H new ATOM 0 HG2 GLN A 30 -1.433 7.374 -4.456 1.00 74.13 H new ATOM 0 HG3 GLN A 30 -2.383 6.188 -3.584 1.00 74.13 H new ATOM 0 HE21 GLN A 30 -2.624 7.968 -1.128 1.00 31.22 H new ATOM 0 HE22 GLN A 30 -3.821 9.186 -1.582 1.00 31.22 H new ATOM 478 N VAL A 31 2.516 6.690 -1.828 1.00 24.12 N ATOM 479 CA VAL A 31 3.589 6.684 -0.831 1.00 21.31 C ATOM 480 C VAL A 31 3.854 8.129 -0.385 1.00 15.14 C ATOM 481 O VAL A 31 4.141 9.011 -1.207 1.00 22.33 O ATOM 482 CB VAL A 31 4.916 5.990 -1.354 1.00 70.52 C ATOM 483 CG1 VAL A 31 5.514 6.669 -2.621 1.00 71.23 C ATOM 484 CG2 VAL A 31 5.964 5.897 -0.219 1.00 64.12 C ATOM 0 H VAL A 31 2.674 7.347 -2.592 1.00 24.12 H new ATOM 0 HA VAL A 31 3.262 6.085 0.019 1.00 21.31 H new ATOM 0 HB VAL A 31 4.638 4.982 -1.663 1.00 70.52 H new ATOM 0 HG11 VAL A 31 6.419 6.143 -2.923 1.00 71.23 H new ATOM 0 HG12 VAL A 31 4.786 6.633 -3.431 1.00 71.23 H new ATOM 0 HG13 VAL A 31 5.756 7.708 -2.397 1.00 71.23 H new ATOM 0 HG21 VAL A 31 6.868 5.418 -0.596 1.00 64.12 H new ATOM 0 HG22 VAL A 31 6.206 6.899 0.136 1.00 64.12 H new ATOM 0 HG23 VAL A 31 5.558 5.308 0.604 1.00 64.12 H new ATOM 494 N THR A 32 3.665 8.384 0.908 1.00 1.12 N ATOM 495 CA THR A 32 4.020 9.649 1.536 1.00 1.11 C ATOM 496 C THR A 32 5.360 9.460 2.297 1.00 2.01 C ATOM 497 O THR A 32 5.413 8.693 3.269 1.00 4.44 O ATOM 498 CB THR A 32 2.867 10.143 2.474 1.00 72.54 C ATOM 499 OG1 THR A 32 2.430 9.081 3.340 1.00 43.14 O ATOM 500 CG2 THR A 32 1.654 10.675 1.676 1.00 45.22 C ATOM 0 H THR A 32 3.256 7.709 1.554 1.00 1.12 H new ATOM 0 HA THR A 32 4.154 10.424 0.781 1.00 1.11 H new ATOM 0 HB THR A 32 3.274 10.963 3.066 1.00 72.54 H new ATOM 0 HG1 THR A 32 1.481 9.203 3.554 1.00 43.14 H new ATOM 0 HG21 THR A 32 0.880 11.006 2.368 1.00 45.22 H new ATOM 0 HG22 THR A 32 1.967 11.513 1.054 1.00 45.22 H new ATOM 0 HG23 THR A 32 1.259 9.881 1.043 1.00 45.22 H new ATOM 508 N PRO A 33 6.470 10.130 1.830 1.00 13.20 N ATOM 509 CA PRO A 33 7.842 9.937 2.389 1.00 43.23 C ATOM 510 C PRO A 33 7.991 10.515 3.831 1.00 32.30 C ATOM 511 O PRO A 33 7.197 11.379 4.230 1.00 10.20 O ATOM 512 CB PRO A 33 8.733 10.693 1.356 1.00 73.22 C ATOM 513 CG PRO A 33 7.846 11.761 0.798 1.00 53.34 C ATOM 514 CD PRO A 33 6.470 11.135 0.723 1.00 20.35 C ATOM 0 HA PRO A 33 8.110 8.887 2.509 1.00 43.23 H new ATOM 0 HB2 PRO A 33 9.616 11.120 1.832 1.00 73.22 H new ATOM 0 HB3 PRO A 33 9.086 10.023 0.573 1.00 73.22 H new ATOM 0 HG2 PRO A 33 7.843 12.644 1.437 1.00 53.34 H new ATOM 0 HG3 PRO A 33 8.187 12.082 -0.186 1.00 53.34 H new ATOM 0 HD2 PRO A 33 5.685 11.879 0.859 1.00 20.35 H new ATOM 0 HD3 PRO A 33 6.298 10.663 -0.245 1.00 20.35 H new ATOM 522 N PRO A 34 9.038 10.076 4.614 1.00 43.14 N ATOM 523 CA PRO A 34 9.201 10.485 6.027 1.00 25.12 C ATOM 524 C PRO A 34 9.675 11.954 6.140 1.00 62.43 C ATOM 525 O PRO A 34 10.729 12.327 5.603 1.00 32.51 O ATOM 526 CB PRO A 34 10.257 9.479 6.569 1.00 50.13 C ATOM 527 CG PRO A 34 11.089 9.101 5.376 1.00 61.13 C ATOM 528 CD PRO A 34 10.156 9.184 4.175 1.00 43.31 C ATOM 0 HA PRO A 34 8.271 10.457 6.594 1.00 25.12 H new ATOM 0 HB2 PRO A 34 10.869 9.933 7.348 1.00 50.13 H new ATOM 0 HB3 PRO A 34 9.778 8.604 7.008 1.00 50.13 H new ATOM 0 HG2 PRO A 34 11.936 9.777 5.260 1.00 61.13 H new ATOM 0 HG3 PRO A 34 11.496 8.096 5.486 1.00 61.13 H new ATOM 0 HD2 PRO A 34 10.669 9.593 3.304 1.00 43.31 H new ATOM 0 HD3 PRO A 34 9.787 8.198 3.893 1.00 43.31 H new ATOM 536 N GLY A 35 8.859 12.789 6.801 1.00 70.11 N ATOM 537 CA GLY A 35 9.177 14.198 7.011 1.00 41.35 C ATOM 538 C GLY A 35 7.943 15.078 6.963 1.00 74.54 C ATOM 539 O GLY A 35 7.810 16.029 7.750 1.00 11.32 O ATOM 0 H GLY A 35 7.966 12.502 7.201 1.00 70.11 H new ATOM 0 HA2 GLY A 35 9.669 14.318 7.976 1.00 41.35 H new ATOM 0 HA3 GLY A 35 9.885 14.526 6.250 1.00 41.35 H new ATOM 543 N ASN A 36 7.024 14.751 6.032 1.00 13.22 N ATOM 544 CA ASN A 36 5.797 15.530 5.802 1.00 15.22 C ATOM 545 C ASN A 36 4.759 15.223 6.901 1.00 34.12 C ATOM 546 O ASN A 36 3.847 14.424 6.700 1.00 22.31 O ATOM 547 CB ASN A 36 5.231 15.235 4.376 1.00 33.25 C ATOM 548 CG ASN A 36 4.000 16.077 4.016 1.00 50.12 C ATOM 549 OD1 ASN A 36 3.844 17.206 4.472 1.00 32.14 O ATOM 550 ND2 ASN A 36 3.127 15.539 3.189 1.00 12.45 N ATOM 0 H ASN A 36 7.114 13.940 5.421 1.00 13.22 H new ATOM 0 HA ASN A 36 6.030 16.593 5.853 1.00 15.22 H new ATOM 0 HB2 ASN A 36 6.013 15.417 3.639 1.00 33.25 H new ATOM 0 HB3 ASN A 36 4.970 14.179 4.309 1.00 33.25 H new ATOM 0 HD21 ASN A 36 2.297 16.063 2.913 1.00 12.45 H new ATOM 0 HD22 ASN A 36 3.282 14.599 2.825 1.00 12.45 H new ATOM 557 N GLY A 37 4.956 15.824 8.087 1.00 60.54 N ATOM 558 CA GLY A 37 4.081 15.603 9.245 1.00 34.23 C ATOM 559 C GLY A 37 4.090 14.163 9.762 1.00 14.35 C ATOM 560 O GLY A 37 3.211 13.780 10.541 1.00 45.30 O ATOM 0 H GLY A 37 5.722 16.473 8.267 1.00 60.54 H new ATOM 0 HA2 GLY A 37 4.386 16.270 10.051 1.00 34.23 H new ATOM 0 HA3 GLY A 37 3.061 15.875 8.975 1.00 34.23 H new ATOM 564 N CYS A 38 5.090 13.361 9.319 1.00 24.40 N ATOM 565 CA CYS A 38 5.181 11.930 9.638 1.00 31.15 C ATOM 566 C CYS A 38 6.650 11.540 9.924 1.00 61.21 C ATOM 567 O CYS A 38 7.544 11.957 9.174 1.00 13.25 O ATOM 568 CB CYS A 38 4.612 11.087 8.469 1.00 42.23 C ATOM 569 SG CYS A 38 5.529 11.204 6.893 1.00 72.41 S ATOM 0 H CYS A 38 5.853 13.697 8.731 1.00 24.40 H new ATOM 0 HA CYS A 38 4.590 11.728 10.531 1.00 31.15 H new ATOM 0 HB2 CYS A 38 4.586 10.042 8.777 1.00 42.23 H new ATOM 0 HB3 CYS A 38 3.581 11.393 8.292 1.00 42.23 H new ATOM 574 N PRO A 39 6.933 10.763 11.028 1.00 34.22 N ATOM 575 CA PRO A 39 8.301 10.252 11.337 1.00 13.45 C ATOM 576 C PRO A 39 8.785 9.176 10.331 1.00 45.03 C ATOM 577 O PRO A 39 9.961 9.145 9.958 1.00 41.13 O ATOM 578 CB PRO A 39 8.158 9.661 12.774 1.00 0.03 C ATOM 579 CG PRO A 39 6.851 10.195 13.297 1.00 42.24 C ATOM 580 CD PRO A 39 5.966 10.357 12.084 1.00 1.34 C ATOM 0 HA PRO A 39 9.051 11.039 11.267 1.00 13.45 H new ATOM 0 HB2 PRO A 39 8.157 8.571 12.752 1.00 0.03 H new ATOM 0 HB3 PRO A 39 8.990 9.966 13.409 1.00 0.03 H new ATOM 0 HG2 PRO A 39 6.407 9.508 14.018 1.00 42.24 H new ATOM 0 HG3 PRO A 39 6.993 11.147 13.809 1.00 42.24 H new ATOM 0 HD2 PRO A 39 5.454 9.429 11.829 1.00 1.34 H new ATOM 0 HD3 PRO A 39 5.197 11.113 12.242 1.00 1.34 H new ATOM 588 N LYS A 40 7.855 8.304 9.901 1.00 1.44 N ATOM 589 CA LYS A 40 8.157 7.134 9.038 1.00 55.52 C ATOM 590 C LYS A 40 7.411 7.248 7.694 1.00 64.03 C ATOM 591 O LYS A 40 6.416 7.979 7.589 1.00 12.31 O ATOM 592 CB LYS A 40 7.744 5.824 9.776 1.00 54.14 C ATOM 593 CG LYS A 40 8.187 4.503 9.098 1.00 44.42 C ATOM 594 CD LYS A 40 7.736 3.216 9.846 1.00 62.03 C ATOM 595 CE LYS A 40 8.421 2.995 11.217 1.00 23.44 C ATOM 596 NZ LYS A 40 7.994 3.975 12.259 1.00 34.25 N ATOM 0 H LYS A 40 6.867 8.386 10.140 1.00 1.44 H new ATOM 0 HA LYS A 40 9.227 7.110 8.833 1.00 55.52 H new ATOM 0 HB2 LYS A 40 8.158 5.850 10.784 1.00 54.14 H new ATOM 0 HB3 LYS A 40 6.659 5.813 9.878 1.00 54.14 H new ATOM 0 HG2 LYS A 40 7.789 4.478 8.084 1.00 44.42 H new ATOM 0 HG3 LYS A 40 9.274 4.498 9.014 1.00 44.42 H new ATOM 0 HD2 LYS A 40 6.657 3.258 9.996 1.00 62.03 H new ATOM 0 HD3 LYS A 40 7.936 2.353 9.211 1.00 62.03 H new ATOM 0 HE2 LYS A 40 8.201 1.986 11.566 1.00 23.44 H new ATOM 0 HE3 LYS A 40 9.502 3.060 11.089 1.00 23.44 H new ATOM 0 HZ1 LYS A 40 7.866 3.483 13.166 1.00 34.25 H new ATOM 0 HZ2 LYS A 40 8.722 4.710 12.363 1.00 34.25 H new ATOM 0 HZ3 LYS A 40 7.096 4.415 11.974 1.00 34.25 H new ATOM 610 N THR A 41 7.917 6.514 6.681 1.00 30.24 N ATOM 611 CA THR A 41 7.269 6.361 5.370 1.00 64.00 C ATOM 612 C THR A 41 5.903 5.653 5.537 1.00 64.23 C ATOM 613 O THR A 41 5.847 4.533 6.060 1.00 3.32 O ATOM 614 CB THR A 41 8.173 5.511 4.414 1.00 3.11 C ATOM 615 OG1 THR A 41 9.510 6.035 4.403 1.00 44.15 O ATOM 616 CG2 THR A 41 7.620 5.471 2.976 1.00 44.20 C ATOM 0 H THR A 41 8.798 6.006 6.756 1.00 30.24 H new ATOM 0 HA THR A 41 7.120 7.351 4.940 1.00 64.00 H new ATOM 0 HB THR A 41 8.179 4.490 4.797 1.00 3.11 H new ATOM 0 HG1 THR A 41 10.068 5.496 3.804 1.00 44.15 H new ATOM 0 HG21 THR A 41 8.279 4.871 2.349 1.00 44.20 H new ATOM 0 HG22 THR A 41 6.623 5.030 2.982 1.00 44.20 H new ATOM 0 HG23 THR A 41 7.566 6.485 2.579 1.00 44.20 H new ATOM 624 N GLU A 42 4.821 6.320 5.117 1.00 14.20 N ATOM 625 CA GLU A 42 3.446 5.785 5.209 1.00 55.12 C ATOM 626 C GLU A 42 2.946 5.423 3.800 1.00 44.10 C ATOM 627 O GLU A 42 2.863 6.288 2.923 1.00 33.53 O ATOM 628 CB GLU A 42 2.531 6.827 5.900 1.00 12.53 C ATOM 629 CG GLU A 42 2.969 7.173 7.351 1.00 44.11 C ATOM 630 CD GLU A 42 2.107 8.232 8.065 1.00 22.00 C ATOM 631 OE1 GLU A 42 2.451 8.631 9.195 1.00 52.43 O ATOM 632 OE2 GLU A 42 1.086 8.672 7.515 1.00 2.13 O ATOM 0 H GLU A 42 4.869 7.250 4.701 1.00 14.20 H new ATOM 0 HA GLU A 42 3.430 4.878 5.813 1.00 55.12 H new ATOM 0 HB2 GLU A 42 2.520 7.740 5.305 1.00 12.53 H new ATOM 0 HB3 GLU A 42 1.510 6.446 5.918 1.00 12.53 H new ATOM 0 HG2 GLU A 42 2.957 6.259 7.944 1.00 44.11 H new ATOM 0 HG3 GLU A 42 4.001 7.524 7.327 1.00 44.11 H new ATOM 639 N VAL A 43 2.658 4.126 3.584 1.00 2.21 N ATOM 640 CA VAL A 43 2.249 3.582 2.273 1.00 35.11 C ATOM 641 C VAL A 43 0.737 3.263 2.298 1.00 32.33 C ATOM 642 O VAL A 43 0.317 2.295 2.942 1.00 25.11 O ATOM 643 CB VAL A 43 3.084 2.283 1.921 1.00 20.45 C ATOM 644 CG1 VAL A 43 2.725 1.740 0.514 1.00 44.44 C ATOM 645 CG2 VAL A 43 4.609 2.548 2.048 1.00 75.32 C ATOM 0 H VAL A 43 2.703 3.420 4.319 1.00 2.21 H new ATOM 0 HA VAL A 43 2.446 4.327 1.502 1.00 35.11 H new ATOM 0 HB VAL A 43 2.816 1.514 2.646 1.00 20.45 H new ATOM 0 HG11 VAL A 43 3.317 0.849 0.306 1.00 44.44 H new ATOM 0 HG12 VAL A 43 1.665 1.488 0.481 1.00 44.44 H new ATOM 0 HG13 VAL A 43 2.940 2.501 -0.236 1.00 44.44 H new ATOM 0 HG21 VAL A 43 5.158 1.639 1.801 1.00 75.32 H new ATOM 0 HG22 VAL A 43 4.898 3.345 1.363 1.00 75.32 H new ATOM 0 HG23 VAL A 43 4.843 2.846 3.070 1.00 75.32 H new ATOM 655 N VAL A 44 -0.077 4.098 1.612 1.00 45.22 N ATOM 656 CA VAL A 44 -1.547 3.892 1.505 1.00 53.54 C ATOM 657 C VAL A 44 -1.896 3.362 0.112 1.00 11.24 C ATOM 658 O VAL A 44 -1.542 3.963 -0.902 1.00 53.44 O ATOM 659 CB VAL A 44 -2.419 5.180 1.827 1.00 63.54 C ATOM 660 CG1 VAL A 44 -2.447 5.463 3.337 1.00 50.10 C ATOM 661 CG2 VAL A 44 -1.950 6.437 1.046 1.00 4.13 C ATOM 0 H VAL A 44 0.258 4.926 1.120 1.00 45.22 H new ATOM 0 HA VAL A 44 -1.802 3.162 2.274 1.00 53.54 H new ATOM 0 HB VAL A 44 -3.432 4.958 1.490 1.00 63.54 H new ATOM 0 HG11 VAL A 44 -3.051 6.350 3.530 1.00 50.10 H new ATOM 0 HG12 VAL A 44 -2.879 4.609 3.859 1.00 50.10 H new ATOM 0 HG13 VAL A 44 -1.431 5.631 3.695 1.00 50.10 H new ATOM 0 HG21 VAL A 44 -2.583 7.285 1.307 1.00 4.13 H new ATOM 0 HG22 VAL A 44 -0.916 6.663 1.307 1.00 4.13 H new ATOM 0 HG23 VAL A 44 -2.021 6.247 -0.025 1.00 4.13 H new ATOM 671 N ILE A 45 -2.595 2.227 0.078 1.00 72.53 N ATOM 672 CA ILE A 45 -2.936 1.523 -1.152 1.00 12.35 C ATOM 673 C ILE A 45 -4.466 1.556 -1.341 1.00 34.12 C ATOM 674 O ILE A 45 -5.216 1.085 -0.472 1.00 20.32 O ATOM 675 CB ILE A 45 -2.420 0.041 -1.091 1.00 1.45 C ATOM 676 CG1 ILE A 45 -0.900 -0.003 -0.700 1.00 74.44 C ATOM 677 CG2 ILE A 45 -2.673 -0.677 -2.438 1.00 50.12 C ATOM 678 CD1 ILE A 45 -0.359 -1.381 -0.359 1.00 62.30 C ATOM 0 H ILE A 45 -2.944 1.767 0.919 1.00 72.53 H new ATOM 0 HA ILE A 45 -2.457 2.013 -2.000 1.00 12.35 H new ATOM 0 HB ILE A 45 -2.977 -0.488 -0.318 1.00 1.45 H new ATOM 0 HG12 ILE A 45 -0.317 0.404 -1.526 1.00 74.44 H new ATOM 0 HG13 ILE A 45 -0.742 0.654 0.156 1.00 74.44 H new ATOM 0 HG21 ILE A 45 -2.309 -1.703 -2.378 1.00 50.12 H new ATOM 0 HG22 ILE A 45 -3.742 -0.683 -2.652 1.00 50.12 H new ATOM 0 HG23 ILE A 45 -2.146 -0.152 -3.235 1.00 50.12 H new ATOM 0 HD11 ILE A 45 0.698 -1.304 -0.103 1.00 62.30 H new ATOM 0 HD12 ILE A 45 -0.909 -1.788 0.489 1.00 62.30 H new ATOM 0 HD13 ILE A 45 -0.477 -2.041 -1.218 1.00 62.30 H new ATOM 690 N TRP A 46 -4.902 2.147 -2.461 1.00 23.41 N ATOM 691 CA TRP A 46 -6.308 2.179 -2.885 1.00 50.00 C ATOM 692 C TRP A 46 -6.605 0.900 -3.686 1.00 41.42 C ATOM 693 O TRP A 46 -5.852 0.561 -4.618 1.00 72.10 O ATOM 694 CB TRP A 46 -6.558 3.426 -3.778 1.00 75.40 C ATOM 695 CG TRP A 46 -6.391 4.749 -3.053 1.00 25.21 C ATOM 696 CD1 TRP A 46 -5.219 5.364 -2.709 1.00 23.54 C ATOM 697 CD2 TRP A 46 -7.440 5.638 -2.634 1.00 42.25 C ATOM 698 NE1 TRP A 46 -5.479 6.551 -2.067 1.00 21.10 N ATOM 699 CE2 TRP A 46 -6.830 6.750 -2.023 1.00 35.31 C ATOM 700 CE3 TRP A 46 -8.837 5.595 -2.710 1.00 21.40 C ATOM 701 CZ2 TRP A 46 -7.566 7.804 -1.491 1.00 33.31 C ATOM 702 CZ3 TRP A 46 -9.568 6.644 -2.184 1.00 12.11 C ATOM 703 CH2 TRP A 46 -8.932 7.739 -1.584 1.00 1.12 C ATOM 0 H TRP A 46 -4.276 2.625 -3.110 1.00 23.41 H new ATOM 0 HA TRP A 46 -6.960 2.234 -2.013 1.00 50.00 H new ATOM 0 HB2 TRP A 46 -5.871 3.398 -4.624 1.00 75.40 H new ATOM 0 HB3 TRP A 46 -7.568 3.372 -4.185 1.00 75.40 H new ATOM 0 HD1 TRP A 46 -4.233 4.974 -2.912 1.00 23.54 H new ATOM 0 HE1 TRP A 46 -4.776 7.183 -1.684 1.00 21.10 H new ATOM 0 HE3 TRP A 46 -9.336 4.756 -3.172 1.00 21.40 H new ATOM 0 HZ2 TRP A 46 -7.078 8.645 -1.021 1.00 33.31 H new ATOM 0 HZ3 TRP A 46 -10.646 6.619 -2.236 1.00 12.11 H new ATOM 0 HH2 TRP A 46 -9.529 8.547 -1.187 1.00 1.12 H new ATOM 714 N THR A 47 -7.670 0.184 -3.303 1.00 22.44 N ATOM 715 CA THR A 47 -8.189 -0.968 -4.065 1.00 4.41 C ATOM 716 C THR A 47 -9.123 -0.481 -5.198 1.00 24.31 C ATOM 717 O THR A 47 -9.321 0.735 -5.357 1.00 32.11 O ATOM 718 CB THR A 47 -8.936 -1.946 -3.109 1.00 23.21 C ATOM 719 OG1 THR A 47 -9.962 -1.234 -2.408 1.00 74.41 O ATOM 720 CG2 THR A 47 -7.977 -2.589 -2.091 1.00 23.34 C ATOM 0 H THR A 47 -8.200 0.385 -2.455 1.00 22.44 H new ATOM 0 HA THR A 47 -7.354 -1.502 -4.519 1.00 4.41 H new ATOM 0 HB THR A 47 -9.370 -2.742 -3.714 1.00 23.21 H new ATOM 0 HG1 THR A 47 -9.558 -0.697 -1.694 1.00 74.41 H new ATOM 0 HG21 THR A 47 -8.535 -3.264 -1.442 1.00 23.34 H new ATOM 0 HG22 THR A 47 -7.206 -3.149 -2.621 1.00 23.34 H new ATOM 0 HG23 THR A 47 -7.510 -1.810 -1.488 1.00 23.34 H new ATOM 728 N LYS A 48 -9.680 -1.422 -5.999 1.00 54.15 N ATOM 729 CA LYS A 48 -10.635 -1.079 -7.086 1.00 11.11 C ATOM 730 C LYS A 48 -11.949 -0.512 -6.511 1.00 32.35 C ATOM 731 O LYS A 48 -12.610 0.309 -7.149 1.00 51.11 O ATOM 732 CB LYS A 48 -10.953 -2.299 -7.984 1.00 53.32 C ATOM 733 CG LYS A 48 -9.745 -2.921 -8.719 1.00 23.50 C ATOM 734 CD LYS A 48 -10.193 -3.918 -9.824 1.00 50.43 C ATOM 735 CE LYS A 48 -11.098 -5.048 -9.292 1.00 52.34 C ATOM 736 NZ LYS A 48 -11.724 -5.821 -10.393 1.00 42.22 N ATOM 0 H LYS A 48 -9.487 -2.420 -5.915 1.00 54.15 H new ATOM 0 HA LYS A 48 -10.150 -0.318 -7.698 1.00 11.11 H new ATOM 0 HB2 LYS A 48 -11.417 -3.070 -7.368 1.00 53.32 H new ATOM 0 HB3 LYS A 48 -11.691 -1.998 -8.727 1.00 53.32 H new ATOM 0 HG2 LYS A 48 -9.144 -2.129 -9.166 1.00 23.50 H new ATOM 0 HG3 LYS A 48 -9.108 -3.437 -8.000 1.00 23.50 H new ATOM 0 HD2 LYS A 48 -10.725 -3.372 -10.603 1.00 50.43 H new ATOM 0 HD3 LYS A 48 -9.310 -4.357 -10.288 1.00 50.43 H new ATOM 0 HE2 LYS A 48 -10.510 -5.719 -8.666 1.00 52.34 H new ATOM 0 HE3 LYS A 48 -11.877 -4.622 -8.659 1.00 52.34 H new ATOM 0 HZ1 LYS A 48 -12.324 -6.571 -9.993 1.00 42.22 H new ATOM 0 HZ2 LYS A 48 -12.306 -5.186 -10.976 1.00 42.22 H new ATOM 0 HZ3 LYS A 48 -10.982 -6.249 -10.982 1.00 42.22 H new ATOM 750 N MET A 49 -12.299 -0.963 -5.287 1.00 61.41 N ATOM 751 CA MET A 49 -13.460 -0.449 -4.529 1.00 50.43 C ATOM 752 C MET A 49 -13.125 0.921 -3.900 1.00 42.20 C ATOM 753 O MET A 49 -14.000 1.574 -3.322 1.00 64.23 O ATOM 754 CB MET A 49 -13.891 -1.456 -3.419 1.00 42.25 C ATOM 755 CG MET A 49 -14.044 -2.914 -3.890 1.00 12.41 C ATOM 756 SD MET A 49 -12.448 -3.758 -4.067 1.00 12.13 S ATOM 757 CE MET A 49 -11.944 -3.940 -2.351 1.00 14.12 C ATOM 0 H MET A 49 -11.784 -1.694 -4.796 1.00 61.41 H new ATOM 0 HA MET A 49 -14.291 -0.327 -5.224 1.00 50.43 H new ATOM 0 HB2 MET A 49 -13.156 -1.425 -2.615 1.00 42.25 H new ATOM 0 HB3 MET A 49 -14.840 -1.125 -2.997 1.00 42.25 H new ATOM 0 HG2 MET A 49 -14.663 -3.460 -3.178 1.00 12.41 H new ATOM 0 HG3 MET A 49 -14.568 -2.931 -4.846 1.00 12.41 H new ATOM 0 HE1 MET A 49 -11.033 -4.536 -2.301 1.00 14.12 H new ATOM 0 HE2 MET A 49 -11.758 -2.956 -1.920 1.00 14.12 H new ATOM 0 HE3 MET A 49 -12.735 -4.438 -1.790 1.00 14.12 H new ATOM 767 N LYS A 50 -11.828 1.310 -4.019 1.00 30.00 N ATOM 768 CA LYS A 50 -11.242 2.548 -3.472 1.00 30.32 C ATOM 769 C LYS A 50 -11.156 2.498 -1.943 1.00 75.15 C ATOM 770 O LYS A 50 -11.061 3.532 -1.277 1.00 23.03 O ATOM 771 CB LYS A 50 -11.967 3.821 -4.011 1.00 3.34 C ATOM 772 CG LYS A 50 -11.853 4.017 -5.541 1.00 24.45 C ATOM 773 CD LYS A 50 -10.388 4.118 -6.029 1.00 75.02 C ATOM 774 CE LYS A 50 -10.285 4.288 -7.552 1.00 24.41 C ATOM 775 NZ LYS A 50 -10.960 5.526 -8.034 1.00 62.44 N ATOM 0 H LYS A 50 -11.142 0.744 -4.518 1.00 30.00 H new ATOM 0 HA LYS A 50 -10.215 2.620 -3.831 1.00 30.32 H new ATOM 0 HB2 LYS A 50 -13.022 3.766 -3.741 1.00 3.34 H new ATOM 0 HB3 LYS A 50 -11.555 4.698 -3.512 1.00 3.34 H new ATOM 0 HG2 LYS A 50 -12.342 3.184 -6.046 1.00 24.45 H new ATOM 0 HG3 LYS A 50 -12.389 4.922 -5.827 1.00 24.45 H new ATOM 0 HD2 LYS A 50 -9.903 4.962 -5.539 1.00 75.02 H new ATOM 0 HD3 LYS A 50 -9.846 3.221 -5.729 1.00 75.02 H new ATOM 0 HE2 LYS A 50 -9.234 4.314 -7.841 1.00 24.41 H new ATOM 0 HE3 LYS A 50 -10.729 3.421 -8.042 1.00 24.41 H new ATOM 0 HZ1 LYS A 50 -10.749 5.667 -9.043 1.00 62.44 H new ATOM 0 HZ2 LYS A 50 -11.988 5.434 -7.905 1.00 62.44 H new ATOM 0 HZ3 LYS A 50 -10.615 6.343 -7.491 1.00 62.44 H new ATOM 789 N LYS A 51 -11.132 1.259 -1.402 1.00 63.33 N ATOM 790 CA LYS A 51 -10.913 1.013 0.022 1.00 20.31 C ATOM 791 C LYS A 51 -9.415 1.238 0.300 1.00 41.24 C ATOM 792 O LYS A 51 -8.557 0.621 -0.354 1.00 14.21 O ATOM 793 CB LYS A 51 -11.381 -0.440 0.388 1.00 73.33 C ATOM 794 CG LYS A 51 -11.542 -0.732 1.901 1.00 74.32 C ATOM 795 CD LYS A 51 -10.228 -1.132 2.619 1.00 1.04 C ATOM 796 CE LYS A 51 -10.383 -1.134 4.146 1.00 31.01 C ATOM 797 NZ LYS A 51 -10.718 0.222 4.659 1.00 0.22 N ATOM 0 H LYS A 51 -11.265 0.408 -1.949 1.00 63.33 H new ATOM 0 HA LYS A 51 -11.496 1.692 0.645 1.00 20.31 H new ATOM 0 HB2 LYS A 51 -12.335 -0.629 -0.104 1.00 73.33 H new ATOM 0 HB3 LYS A 51 -10.663 -1.148 -0.026 1.00 73.33 H new ATOM 0 HG2 LYS A 51 -11.953 0.153 2.388 1.00 74.32 H new ATOM 0 HG3 LYS A 51 -12.270 -1.533 2.029 1.00 74.32 H new ATOM 0 HD2 LYS A 51 -9.920 -2.123 2.285 1.00 1.04 H new ATOM 0 HD3 LYS A 51 -9.435 -0.439 2.336 1.00 1.04 H new ATOM 0 HE2 LYS A 51 -11.165 -1.837 4.433 1.00 31.01 H new ATOM 0 HE3 LYS A 51 -9.458 -1.481 4.607 1.00 31.01 H new ATOM 0 HZ1 LYS A 51 -10.584 0.246 5.690 1.00 0.22 H new ATOM 0 HZ2 LYS A 51 -10.095 0.926 4.213 1.00 0.22 H new ATOM 0 HZ3 LYS A 51 -11.709 0.444 4.433 1.00 0.22 H new ATOM 811 N VAL A 52 -9.121 2.141 1.244 1.00 72.22 N ATOM 812 CA VAL A 52 -7.747 2.510 1.608 1.00 10.44 C ATOM 813 C VAL A 52 -7.254 1.593 2.735 1.00 24.11 C ATOM 814 O VAL A 52 -7.931 1.430 3.764 1.00 43.23 O ATOM 815 CB VAL A 52 -7.633 4.016 2.063 1.00 4.30 C ATOM 816 CG1 VAL A 52 -6.169 4.392 2.418 1.00 43.11 C ATOM 817 CG2 VAL A 52 -8.191 4.953 0.977 1.00 34.24 C ATOM 0 H VAL A 52 -9.833 2.638 1.779 1.00 72.22 H new ATOM 0 HA VAL A 52 -7.126 2.389 0.720 1.00 10.44 H new ATOM 0 HB VAL A 52 -8.232 4.138 2.965 1.00 4.30 H new ATOM 0 HG11 VAL A 52 -6.126 5.436 2.727 1.00 43.11 H new ATOM 0 HG12 VAL A 52 -5.818 3.758 3.232 1.00 43.11 H new ATOM 0 HG13 VAL A 52 -5.534 4.246 1.544 1.00 43.11 H new ATOM 0 HG21 VAL A 52 -8.104 5.988 1.309 1.00 34.24 H new ATOM 0 HG22 VAL A 52 -7.625 4.819 0.055 1.00 34.24 H new ATOM 0 HG23 VAL A 52 -9.240 4.717 0.797 1.00 34.24 H new ATOM 827 N ILE A 53 -6.100 0.971 2.503 1.00 62.42 N ATOM 828 CA ILE A 53 -5.349 0.204 3.511 1.00 54.41 C ATOM 829 C ILE A 53 -3.992 0.895 3.699 1.00 31.32 C ATOM 830 O ILE A 53 -3.559 1.639 2.816 1.00 54.45 O ATOM 831 CB ILE A 53 -5.136 -1.304 3.090 1.00 53.12 C ATOM 832 CG1 ILE A 53 -4.349 -1.429 1.744 1.00 71.43 C ATOM 833 CG2 ILE A 53 -6.488 -2.060 3.017 1.00 31.35 C ATOM 834 CD1 ILE A 53 -3.925 -2.834 1.384 1.00 41.53 C ATOM 0 H ILE A 53 -5.645 0.983 1.590 1.00 62.42 H new ATOM 0 HA ILE A 53 -5.920 0.185 4.439 1.00 54.41 H new ATOM 0 HB ILE A 53 -4.528 -1.771 3.864 1.00 53.12 H new ATOM 0 HG12 ILE A 53 -4.969 -1.035 0.939 1.00 71.43 H new ATOM 0 HG13 ILE A 53 -3.461 -0.800 1.799 1.00 71.43 H new ATOM 0 HG21 ILE A 53 -6.311 -3.095 2.725 1.00 31.35 H new ATOM 0 HG22 ILE A 53 -6.971 -2.036 3.994 1.00 31.35 H new ATOM 0 HG23 ILE A 53 -7.133 -1.581 2.281 1.00 31.35 H new ATOM 0 HD11 ILE A 53 -3.387 -2.820 0.436 1.00 41.53 H new ATOM 0 HD12 ILE A 53 -3.275 -3.229 2.165 1.00 41.53 H new ATOM 0 HD13 ILE A 53 -4.807 -3.468 1.291 1.00 41.53 H new ATOM 846 N CYS A 54 -3.331 0.690 4.845 1.00 14.44 N ATOM 847 CA CYS A 54 -2.003 1.276 5.100 1.00 52.14 C ATOM 848 C CYS A 54 -1.073 0.221 5.678 1.00 41.02 C ATOM 849 O CYS A 54 -1.463 -0.535 6.582 1.00 34.53 O ATOM 850 CB CYS A 54 -2.108 2.464 6.061 1.00 31.31 C ATOM 851 SG CYS A 54 -0.615 3.514 6.145 1.00 32.42 S ATOM 0 H CYS A 54 -3.692 0.123 5.612 1.00 14.44 H new ATOM 0 HA CYS A 54 -1.597 1.634 4.154 1.00 52.14 H new ATOM 0 HB2 CYS A 54 -2.954 3.083 5.761 1.00 31.31 H new ATOM 0 HB3 CYS A 54 -2.327 2.087 7.060 1.00 31.31 H new ATOM 856 N VAL A 55 0.151 0.168 5.137 1.00 20.42 N ATOM 857 CA VAL A 55 1.205 -0.751 5.568 1.00 21.15 C ATOM 858 C VAL A 55 2.523 0.012 5.714 1.00 73.15 C ATOM 859 O VAL A 55 2.671 1.152 5.241 1.00 63.04 O ATOM 860 CB VAL A 55 1.389 -1.958 4.562 1.00 11.42 C ATOM 861 CG1 VAL A 55 0.129 -2.854 4.539 1.00 45.05 C ATOM 862 CG2 VAL A 55 1.755 -1.461 3.135 1.00 24.34 C ATOM 0 H VAL A 55 0.439 0.777 4.371 1.00 20.42 H new ATOM 0 HA VAL A 55 0.908 -1.170 6.530 1.00 21.15 H new ATOM 0 HB VAL A 55 2.224 -2.562 4.918 1.00 11.42 H new ATOM 0 HG11 VAL A 55 0.280 -3.677 3.840 1.00 45.05 H new ATOM 0 HG12 VAL A 55 -0.051 -3.254 5.537 1.00 45.05 H new ATOM 0 HG13 VAL A 55 -0.731 -2.264 4.224 1.00 45.05 H new ATOM 0 HG21 VAL A 55 1.874 -2.317 2.471 1.00 24.34 H new ATOM 0 HG22 VAL A 55 0.960 -0.817 2.759 1.00 24.34 H new ATOM 0 HG23 VAL A 55 2.688 -0.900 3.174 1.00 24.34 H new ATOM 872 N ASN A 56 3.462 -0.640 6.393 1.00 41.22 N ATOM 873 CA ASN A 56 4.832 -0.155 6.575 1.00 23.30 C ATOM 874 C ASN A 56 5.674 -0.484 5.326 1.00 24.22 C ATOM 875 O ASN A 56 5.322 -1.406 4.577 1.00 65.00 O ATOM 876 CB ASN A 56 5.448 -0.816 7.844 1.00 42.22 C ATOM 877 CG ASN A 56 4.811 -0.308 9.133 1.00 25.01 C ATOM 878 OD1 ASN A 56 5.314 0.623 9.758 1.00 2.44 O ATOM 879 ND2 ASN A 56 3.673 -0.879 9.512 1.00 62.40 N ATOM 0 H ASN A 56 3.291 -1.539 6.843 1.00 41.22 H new ATOM 0 HA ASN A 56 4.825 0.927 6.709 1.00 23.30 H new ATOM 0 HB2 ASN A 56 5.325 -1.897 7.783 1.00 42.22 H new ATOM 0 HB3 ASN A 56 6.520 -0.618 7.869 1.00 42.22 H new ATOM 0 HD21 ASN A 56 3.188 -0.546 10.346 1.00 62.40 H new ATOM 0 HD22 ASN A 56 3.284 -1.650 8.969 1.00 62.40 H new ATOM 886 N PRO A 57 6.824 0.233 5.092 1.00 21.41 N ATOM 887 CA PRO A 57 7.802 -0.124 4.012 1.00 42.50 C ATOM 888 C PRO A 57 8.509 -1.477 4.291 1.00 53.41 C ATOM 889 O PRO A 57 9.144 -2.053 3.399 1.00 74.21 O ATOM 890 CB PRO A 57 8.803 1.062 4.042 1.00 40.22 C ATOM 891 CG PRO A 57 8.728 1.556 5.458 1.00 31.41 C ATOM 892 CD PRO A 57 7.265 1.461 5.823 1.00 33.22 C ATOM 0 HA PRO A 57 7.328 -0.262 3.040 1.00 42.50 H new ATOM 0 HB2 PRO A 57 9.812 0.741 3.783 1.00 40.22 H new ATOM 0 HB3 PRO A 57 8.524 1.840 3.331 1.00 40.22 H new ATOM 0 HG2 PRO A 57 9.342 0.948 6.122 1.00 31.41 H new ATOM 0 HG3 PRO A 57 9.090 2.581 5.539 1.00 31.41 H new ATOM 0 HD2 PRO A 57 7.121 1.365 6.899 1.00 33.22 H new ATOM 0 HD3 PRO A 57 6.710 2.343 5.505 1.00 33.22 H new ATOM 900 N ARG A 58 8.364 -1.980 5.537 1.00 21.12 N ATOM 901 CA ARG A 58 8.977 -3.246 5.989 1.00 23.02 C ATOM 902 C ARG A 58 8.112 -4.468 5.590 1.00 20.44 C ATOM 903 O ARG A 58 8.550 -5.617 5.755 1.00 13.33 O ATOM 904 CB ARG A 58 9.172 -3.237 7.537 1.00 12.44 C ATOM 905 CG ARG A 58 9.848 -1.975 8.136 1.00 2.44 C ATOM 906 CD ARG A 58 11.169 -1.601 7.447 1.00 54.22 C ATOM 907 NE ARG A 58 12.156 -2.701 7.456 1.00 13.20 N ATOM 908 CZ ARG A 58 13.219 -2.794 6.638 1.00 33.34 C ATOM 909 NH1 ARG A 58 13.460 -1.863 5.720 1.00 41.31 N ATOM 910 NH2 ARG A 58 14.035 -3.841 6.728 1.00 1.52 N ATOM 0 H ARG A 58 7.815 -1.515 6.260 1.00 21.12 H new ATOM 0 HA ARG A 58 9.947 -3.331 5.499 1.00 23.02 H new ATOM 0 HB2 ARG A 58 8.195 -3.357 8.006 1.00 12.44 H new ATOM 0 HB3 ARG A 58 9.767 -4.108 7.812 1.00 12.44 H new ATOM 0 HG2 ARG A 58 9.159 -1.134 8.063 1.00 2.44 H new ATOM 0 HG3 ARG A 58 10.035 -2.142 9.197 1.00 2.44 H new ATOM 0 HD2 ARG A 58 10.965 -1.311 6.416 1.00 54.22 H new ATOM 0 HD3 ARG A 58 11.598 -0.731 7.944 1.00 54.22 H new ATOM 0 HE ARG A 58 12.020 -3.449 8.136 1.00 13.20 H new ATOM 0 HH11 ARG A 58 12.834 -1.063 5.628 1.00 41.31 H new ATOM 0 HH12 ARG A 58 14.271 -1.949 5.107 1.00 41.31 H new ATOM 0 HH21 ARG A 58 13.854 -4.571 7.417 1.00 1.52 H new ATOM 0 HH22 ARG A 58 14.842 -3.913 6.108 1.00 1.52 H new ATOM 924 N ALA A 59 6.885 -4.207 5.076 1.00 61.14 N ATOM 925 CA ALA A 59 5.884 -5.246 4.781 1.00 5.34 C ATOM 926 C ALA A 59 6.352 -6.207 3.657 1.00 13.21 C ATOM 927 O ALA A 59 6.820 -5.768 2.600 1.00 62.21 O ATOM 928 CB ALA A 59 4.532 -4.583 4.433 1.00 54.35 C ATOM 0 H ALA A 59 6.567 -3.263 4.856 1.00 61.14 H new ATOM 0 HA ALA A 59 5.757 -5.859 5.673 1.00 5.34 H new ATOM 0 HB1 ALA A 59 3.794 -5.355 4.215 1.00 54.35 H new ATOM 0 HB2 ALA A 59 4.192 -3.984 5.278 1.00 54.35 H new ATOM 0 HB3 ALA A 59 4.655 -3.942 3.560 1.00 54.35 H new ATOM 934 N LYS A 60 6.201 -7.523 3.915 1.00 3.45 N ATOM 935 CA LYS A 60 6.691 -8.606 3.031 1.00 54.05 C ATOM 936 C LYS A 60 5.861 -8.734 1.741 1.00 1.22 C ATOM 937 O LYS A 60 6.404 -9.044 0.678 1.00 12.22 O ATOM 938 CB LYS A 60 6.693 -9.967 3.781 1.00 74.10 C ATOM 939 CG LYS A 60 5.341 -10.353 4.430 1.00 4.11 C ATOM 940 CD LYS A 60 5.333 -11.789 4.995 1.00 62.53 C ATOM 941 CE LYS A 60 5.374 -12.860 3.892 1.00 61.22 C ATOM 942 NZ LYS A 60 5.468 -14.224 4.466 1.00 22.13 N ATOM 0 H LYS A 60 5.731 -7.869 4.751 1.00 3.45 H new ATOM 0 HA LYS A 60 7.709 -8.339 2.748 1.00 54.05 H new ATOM 0 HB2 LYS A 60 6.981 -10.751 3.081 1.00 74.10 H new ATOM 0 HB3 LYS A 60 7.457 -9.937 4.558 1.00 74.10 H new ATOM 0 HG2 LYS A 60 5.116 -9.651 5.233 1.00 4.11 H new ATOM 0 HG3 LYS A 60 4.547 -10.255 3.689 1.00 4.11 H new ATOM 0 HD2 LYS A 60 6.190 -11.920 5.655 1.00 62.53 H new ATOM 0 HD3 LYS A 60 4.439 -11.932 5.601 1.00 62.53 H new ATOM 0 HE2 LYS A 60 4.478 -12.784 3.275 1.00 61.22 H new ATOM 0 HE3 LYS A 60 6.227 -12.679 3.238 1.00 61.22 H new ATOM 0 HZ1 LYS A 60 5.494 -14.923 3.697 1.00 22.13 H new ATOM 0 HZ2 LYS A 60 6.335 -14.302 5.034 1.00 22.13 H new ATOM 0 HZ3 LYS A 60 4.641 -14.404 5.070 1.00 22.13 H new ATOM 956 N TRP A 61 4.539 -8.516 1.847 1.00 74.42 N ATOM 957 CA TRP A 61 3.617 -8.656 0.704 1.00 63.21 C ATOM 958 C TRP A 61 3.770 -7.454 -0.263 1.00 70.34 C ATOM 959 O TRP A 61 3.459 -7.566 -1.445 1.00 5.33 O ATOM 960 CB TRP A 61 2.146 -8.817 1.199 1.00 20.24 C ATOM 961 CG TRP A 61 1.478 -7.525 1.625 1.00 11.14 C ATOM 962 CD1 TRP A 61 1.748 -6.760 2.730 1.00 54.10 C ATOM 963 CD2 TRP A 61 0.423 -6.850 0.925 1.00 21.54 C ATOM 964 NE1 TRP A 61 0.941 -5.654 2.737 1.00 44.25 N ATOM 965 CE2 TRP A 61 0.114 -5.690 1.646 1.00 72.24 C ATOM 966 CE3 TRP A 61 -0.284 -7.123 -0.254 1.00 35.04 C ATOM 967 CZ2 TRP A 61 -0.864 -4.796 1.227 1.00 73.53 C ATOM 968 CZ3 TRP A 61 -1.262 -6.240 -0.662 1.00 43.24 C ATOM 969 CH2 TRP A 61 -1.544 -5.089 0.075 1.00 0.21 C ATOM 0 H TRP A 61 4.082 -8.241 2.716 1.00 74.42 H new ATOM 0 HA TRP A 61 3.875 -9.560 0.152 1.00 63.21 H new ATOM 0 HB2 TRP A 61 1.556 -9.270 0.402 1.00 20.24 H new ATOM 0 HB3 TRP A 61 2.133 -9.511 2.039 1.00 20.24 H new ATOM 0 HD1 TRP A 61 2.487 -6.995 3.482 1.00 54.10 H new ATOM 0 HE1 TRP A 61 0.954 -4.919 3.444 1.00 44.25 H new ATOM 0 HE3 TRP A 61 -0.067 -8.009 -0.833 1.00 35.04 H new ATOM 0 HZ2 TRP A 61 -1.080 -3.901 1.791 1.00 73.53 H new ATOM 0 HZ3 TRP A 61 -1.818 -6.442 -1.566 1.00 43.24 H new ATOM 0 HH2 TRP A 61 -2.314 -4.415 -0.270 1.00 0.21 H new ATOM 980 N LEU A 62 4.279 -6.315 0.269 1.00 3.21 N ATOM 981 CA LEU A 62 4.577 -5.094 -0.514 1.00 34.52 C ATOM 982 C LEU A 62 5.704 -5.365 -1.535 1.00 71.35 C ATOM 983 O LEU A 62 5.732 -4.755 -2.605 1.00 22.12 O ATOM 984 CB LEU A 62 4.973 -3.935 0.444 1.00 62.34 C ATOM 985 CG LEU A 62 5.333 -2.554 -0.215 1.00 2.20 C ATOM 986 CD1 LEU A 62 4.111 -1.912 -0.918 1.00 4.21 C ATOM 987 CD2 LEU A 62 5.957 -1.589 0.818 1.00 61.13 C ATOM 0 H LEU A 62 4.495 -6.219 1.261 1.00 3.21 H new ATOM 0 HA LEU A 62 3.683 -4.803 -1.066 1.00 34.52 H new ATOM 0 HB2 LEU A 62 4.149 -3.774 1.139 1.00 62.34 H new ATOM 0 HB3 LEU A 62 5.829 -4.262 1.035 1.00 62.34 H new ATOM 0 HG LEU A 62 6.079 -2.749 -0.985 1.00 2.20 H new ATOM 0 HD11 LEU A 62 4.404 -0.960 -1.360 1.00 4.21 H new ATOM 0 HD12 LEU A 62 3.750 -2.579 -1.701 1.00 4.21 H new ATOM 0 HD13 LEU A 62 3.318 -1.745 -0.189 1.00 4.21 H new ATOM 0 HD21 LEU A 62 6.196 -0.642 0.334 1.00 61.13 H new ATOM 0 HD22 LEU A 62 5.248 -1.414 1.627 1.00 61.13 H new ATOM 0 HD23 LEU A 62 6.868 -2.029 1.223 1.00 61.13 H new ATOM 999 N GLN A 63 6.601 -6.327 -1.197 1.00 64.31 N ATOM 1000 CA GLN A 63 7.698 -6.780 -2.091 1.00 73.51 C ATOM 1001 C GLN A 63 7.124 -7.347 -3.412 1.00 53.11 C ATOM 1002 O GLN A 63 7.711 -7.163 -4.477 1.00 74.54 O ATOM 1003 CB GLN A 63 8.578 -7.859 -1.397 1.00 33.02 C ATOM 1004 CG GLN A 63 9.247 -7.409 -0.074 1.00 30.13 C ATOM 1005 CD GLN A 63 10.057 -8.518 0.615 1.00 11.25 C ATOM 1006 OE1 GLN A 63 10.611 -9.406 -0.034 1.00 51.03 O ATOM 1007 NE2 GLN A 63 10.135 -8.482 1.939 1.00 41.44 N ATOM 0 H GLN A 63 6.584 -6.810 -0.299 1.00 64.31 H new ATOM 0 HA GLN A 63 8.321 -5.914 -2.314 1.00 73.51 H new ATOM 0 HB2 GLN A 63 7.961 -8.734 -1.195 1.00 33.02 H new ATOM 0 HB3 GLN A 63 9.357 -8.172 -2.092 1.00 33.02 H new ATOM 0 HG2 GLN A 63 9.905 -6.564 -0.278 1.00 30.13 H new ATOM 0 HG3 GLN A 63 8.476 -7.055 0.611 1.00 30.13 H new ATOM 0 HE21 GLN A 63 9.669 -7.738 2.457 1.00 41.44 H new ATOM 0 HE22 GLN A 63 10.661 -9.199 2.439 1.00 41.44 H new ATOM 1016 N ARG A 64 5.945 -8.009 -3.306 1.00 71.42 N ATOM 1017 CA ARG A 64 5.203 -8.549 -4.466 1.00 52.33 C ATOM 1018 C ARG A 64 4.674 -7.415 -5.358 1.00 24.31 C ATOM 1019 O ARG A 64 4.712 -7.522 -6.576 1.00 72.23 O ATOM 1020 CB ARG A 64 4.009 -9.437 -4.008 1.00 34.14 C ATOM 1021 CG ARG A 64 4.413 -10.793 -3.404 1.00 62.43 C ATOM 1022 CD ARG A 64 3.201 -11.674 -3.038 1.00 43.11 C ATOM 1023 NE ARG A 64 3.595 -13.080 -2.817 1.00 51.33 N ATOM 1024 CZ ARG A 64 2.779 -14.063 -2.406 1.00 61.33 C ATOM 1025 NH1 ARG A 64 1.495 -13.830 -2.152 1.00 12.03 N ATOM 1026 NH2 ARG A 64 3.254 -15.292 -2.263 1.00 33.23 N ATOM 0 H ARG A 64 5.484 -8.182 -2.413 1.00 71.42 H new ATOM 0 HA ARG A 64 5.902 -9.160 -5.037 1.00 52.33 H new ATOM 0 HB2 ARG A 64 3.425 -8.886 -3.271 1.00 34.14 H new ATOM 0 HB3 ARG A 64 3.357 -9.615 -4.863 1.00 34.14 H new ATOM 0 HG2 ARG A 64 5.043 -11.328 -4.115 1.00 62.43 H new ATOM 0 HG3 ARG A 64 5.014 -10.622 -2.511 1.00 62.43 H new ATOM 0 HD2 ARG A 64 2.726 -11.283 -2.138 1.00 43.11 H new ATOM 0 HD3 ARG A 64 2.461 -11.625 -3.837 1.00 43.11 H new ATOM 0 HE ARG A 64 4.570 -13.325 -2.991 1.00 51.33 H new ATOM 0 HH11 ARG A 64 1.114 -12.891 -2.269 1.00 12.03 H new ATOM 0 HH12 ARG A 64 0.891 -14.590 -1.840 1.00 12.03 H new ATOM 0 HH21 ARG A 64 4.235 -15.486 -2.465 1.00 33.23 H new ATOM 0 HH22 ARG A 64 2.639 -16.043 -1.951 1.00 33.23 H new ATOM 1040 N LEU A 65 4.196 -6.329 -4.718 1.00 11.04 N ATOM 1041 CA LEU A 65 3.567 -5.180 -5.412 1.00 15.41 C ATOM 1042 C LEU A 65 4.617 -4.367 -6.187 1.00 24.33 C ATOM 1043 O LEU A 65 4.355 -3.892 -7.304 1.00 54.21 O ATOM 1044 CB LEU A 65 2.799 -4.270 -4.400 1.00 65.50 C ATOM 1045 CG LEU A 65 1.347 -4.715 -4.012 1.00 21.14 C ATOM 1046 CD1 LEU A 65 1.317 -6.094 -3.331 1.00 63.31 C ATOM 1047 CD2 LEU A 65 0.660 -3.652 -3.129 1.00 53.22 C ATOM 0 H LEU A 65 4.234 -6.221 -3.704 1.00 11.04 H new ATOM 0 HA LEU A 65 2.846 -5.573 -6.128 1.00 15.41 H new ATOM 0 HB2 LEU A 65 3.390 -4.204 -3.486 1.00 65.50 H new ATOM 0 HB3 LEU A 65 2.746 -3.265 -4.819 1.00 65.50 H new ATOM 0 HG LEU A 65 0.787 -4.807 -4.943 1.00 21.14 H new ATOM 0 HD11 LEU A 65 0.288 -6.355 -3.083 1.00 63.31 H new ATOM 0 HD12 LEU A 65 1.728 -6.843 -4.008 1.00 63.31 H new ATOM 0 HD13 LEU A 65 1.913 -6.063 -2.419 1.00 63.31 H new ATOM 0 HD21 LEU A 65 -0.346 -3.986 -2.874 1.00 53.22 H new ATOM 0 HD22 LEU A 65 1.237 -3.509 -2.216 1.00 53.22 H new ATOM 0 HD23 LEU A 65 0.603 -2.709 -3.673 1.00 53.22 H new ATOM 1059 N LEU A 66 5.810 -4.232 -5.582 1.00 32.40 N ATOM 1060 CA LEU A 66 6.954 -3.549 -6.205 1.00 42.34 C ATOM 1061 C LEU A 66 7.468 -4.378 -7.391 1.00 41.02 C ATOM 1062 O LEU A 66 7.622 -3.868 -8.502 1.00 42.40 O ATOM 1063 CB LEU A 66 8.090 -3.331 -5.162 1.00 25.42 C ATOM 1064 CG LEU A 66 7.712 -2.484 -3.902 1.00 33.40 C ATOM 1065 CD1 LEU A 66 8.878 -2.426 -2.888 1.00 3.31 C ATOM 1066 CD2 LEU A 66 7.235 -1.062 -4.296 1.00 70.31 C ATOM 0 H LEU A 66 6.007 -4.593 -4.649 1.00 32.40 H new ATOM 0 HA LEU A 66 6.631 -2.573 -6.567 1.00 42.34 H new ATOM 0 HB2 LEU A 66 8.441 -4.307 -4.827 1.00 25.42 H new ATOM 0 HB3 LEU A 66 8.928 -2.846 -5.663 1.00 25.42 H new ATOM 0 HG LEU A 66 6.877 -2.985 -3.412 1.00 33.40 H new ATOM 0 HD11 LEU A 66 8.581 -1.830 -2.025 1.00 3.31 H new ATOM 0 HD12 LEU A 66 9.128 -3.436 -2.562 1.00 3.31 H new ATOM 0 HD13 LEU A 66 9.749 -1.971 -3.360 1.00 3.31 H new ATOM 0 HD21 LEU A 66 6.981 -0.501 -3.397 1.00 70.31 H new ATOM 0 HD22 LEU A 66 8.032 -0.546 -4.832 1.00 70.31 H new ATOM 0 HD23 LEU A 66 6.357 -1.137 -4.937 1.00 70.31 H new ATOM 1078 N ARG A 67 7.684 -5.678 -7.139 1.00 44.33 N ATOM 1079 CA ARG A 67 8.197 -6.622 -8.145 1.00 13.10 C ATOM 1080 C ARG A 67 7.163 -6.858 -9.275 1.00 12.22 C ATOM 1081 O ARG A 67 7.535 -7.212 -10.389 1.00 5.30 O ATOM 1082 CB ARG A 67 8.580 -7.953 -7.446 1.00 3.05 C ATOM 1083 CG ARG A 67 9.234 -9.017 -8.352 1.00 44.13 C ATOM 1084 CD ARG A 67 9.580 -10.307 -7.590 1.00 61.31 C ATOM 1085 NE ARG A 67 8.391 -10.915 -6.946 1.00 55.52 N ATOM 1086 CZ ARG A 67 8.263 -11.172 -5.630 1.00 55.04 C ATOM 1087 NH1 ARG A 67 9.226 -10.867 -4.764 1.00 75.22 N ATOM 1088 NH2 ARG A 67 7.146 -11.721 -5.183 1.00 71.53 N ATOM 0 H ARG A 67 7.508 -6.106 -6.230 1.00 44.33 H new ATOM 0 HA ARG A 67 9.085 -6.196 -8.613 1.00 13.10 H new ATOM 0 HB2 ARG A 67 9.264 -7.729 -6.627 1.00 3.05 H new ATOM 0 HB3 ARG A 67 7.681 -8.382 -7.003 1.00 3.05 H new ATOM 0 HG2 ARG A 67 8.559 -9.254 -9.174 1.00 44.13 H new ATOM 0 HG3 ARG A 67 10.141 -8.605 -8.794 1.00 44.13 H new ATOM 0 HD2 ARG A 67 10.025 -11.025 -8.279 1.00 61.31 H new ATOM 0 HD3 ARG A 67 10.330 -10.088 -6.830 1.00 61.31 H new ATOM 0 HE ARG A 67 7.605 -11.159 -7.549 1.00 55.52 H new ATOM 0 HH11 ARG A 67 10.086 -10.428 -5.092 1.00 75.22 H new ATOM 0 HH12 ARG A 67 9.104 -11.072 -3.772 1.00 75.22 H new ATOM 0 HH21 ARG A 67 6.392 -11.945 -5.833 1.00 71.53 H new ATOM 0 HH22 ARG A 67 7.038 -11.920 -4.188 1.00 71.53 H new ATOM 1102 N HIS A 68 5.867 -6.632 -8.970 1.00 14.40 N ATOM 1103 CA HIS A 68 4.754 -6.804 -9.934 1.00 55.44 C ATOM 1104 C HIS A 68 4.883 -5.821 -11.111 1.00 54.21 C ATOM 1105 O HIS A 68 4.630 -6.187 -12.263 1.00 41.52 O ATOM 1106 CB HIS A 68 3.390 -6.599 -9.218 1.00 20.10 C ATOM 1107 CG HIS A 68 2.168 -6.921 -10.050 1.00 13.13 C ATOM 1108 ND1 HIS A 68 1.518 -8.136 -9.994 1.00 43.31 N ATOM 1109 CD2 HIS A 68 1.463 -6.172 -10.939 1.00 33.44 C ATOM 1110 CE1 HIS A 68 0.483 -8.121 -10.805 1.00 63.55 C ATOM 1111 NE2 HIS A 68 0.424 -6.946 -11.389 1.00 11.15 N ATOM 0 H HIS A 68 5.561 -6.324 -8.047 1.00 14.40 H new ATOM 0 HA HIS A 68 4.803 -7.818 -10.330 1.00 55.44 H new ATOM 0 HB2 HIS A 68 3.372 -7.219 -8.321 1.00 20.10 H new ATOM 0 HB3 HIS A 68 3.323 -5.562 -8.890 1.00 20.10 H new ATOM 0 HD2 HIS A 68 1.681 -5.157 -11.236 1.00 33.44 H new ATOM 0 HE1 HIS A 68 -0.204 -8.939 -10.964 1.00 63.55 H new ATOM 0 HE2 HIS A 68 -0.280 -6.656 -12.067 1.00 11.15 H new ATOM 1120 N VAL A 69 5.261 -4.568 -10.804 1.00 23.54 N ATOM 1121 CA VAL A 69 5.358 -3.491 -11.815 1.00 25.32 C ATOM 1122 C VAL A 69 6.765 -3.460 -12.461 1.00 34.31 C ATOM 1123 O VAL A 69 6.910 -3.097 -13.633 1.00 1.30 O ATOM 1124 CB VAL A 69 4.969 -2.080 -11.210 1.00 62.15 C ATOM 1125 CG1 VAL A 69 5.947 -1.603 -10.104 1.00 42.33 C ATOM 1126 CG2 VAL A 69 4.817 -1.009 -12.324 1.00 45.13 C ATOM 0 H VAL A 69 5.506 -4.271 -9.859 1.00 23.54 H new ATOM 0 HA VAL A 69 4.635 -3.713 -12.599 1.00 25.32 H new ATOM 0 HB VAL A 69 4.000 -2.212 -10.729 1.00 62.15 H new ATOM 0 HG11 VAL A 69 5.627 -0.631 -9.730 1.00 42.33 H new ATOM 0 HG12 VAL A 69 5.951 -2.324 -9.286 1.00 42.33 H new ATOM 0 HG13 VAL A 69 6.952 -1.519 -10.518 1.00 42.33 H new ATOM 0 HG21 VAL A 69 4.550 -0.052 -11.875 1.00 45.13 H new ATOM 0 HG22 VAL A 69 5.760 -0.907 -12.862 1.00 45.13 H new ATOM 0 HG23 VAL A 69 4.035 -1.315 -13.019 1.00 45.13 H new ATOM 1136 N GLN A 70 7.786 -3.874 -11.692 1.00 43.43 N ATOM 1137 CA GLN A 70 9.193 -3.911 -12.153 1.00 53.24 C ATOM 1138 C GLN A 70 9.504 -5.264 -12.828 1.00 70.24 C ATOM 1139 O GLN A 70 8.852 -6.270 -12.530 1.00 51.25 O ATOM 1140 CB GLN A 70 10.138 -3.680 -10.944 1.00 52.35 C ATOM 1141 CG GLN A 70 9.958 -2.320 -10.247 1.00 53.31 C ATOM 1142 CD GLN A 70 10.836 -2.160 -9.007 1.00 63.41 C ATOM 1143 OE1 GLN A 70 11.971 -1.690 -9.081 1.00 34.31 O ATOM 1144 NE2 GLN A 70 10.323 -2.565 -7.861 1.00 3.42 N ATOM 0 H GLN A 70 7.664 -4.194 -10.731 1.00 43.43 H new ATOM 0 HA GLN A 70 9.350 -3.121 -12.887 1.00 53.24 H new ATOM 0 HB2 GLN A 70 9.975 -4.473 -10.214 1.00 52.35 H new ATOM 0 HB3 GLN A 70 11.170 -3.767 -11.283 1.00 52.35 H new ATOM 0 HG2 GLN A 70 10.189 -1.523 -10.954 1.00 53.31 H new ATOM 0 HG3 GLN A 70 8.913 -2.200 -9.962 1.00 53.31 H new ATOM 0 HE21 GLN A 70 9.379 -2.950 -7.833 1.00 3.42 H new ATOM 0 HE22 GLN A 70 10.870 -2.493 -7.003 1.00 3.42 H new ATOM 1153 N SER A 71 10.506 -5.277 -13.734 1.00 51.34 N ATOM 1154 CA SER A 71 10.973 -6.508 -14.399 1.00 54.34 C ATOM 1155 C SER A 71 11.608 -7.440 -13.356 1.00 24.55 C ATOM 1156 O SER A 71 12.517 -7.036 -12.618 1.00 53.05 O ATOM 1157 CB SER A 71 11.989 -6.180 -15.519 1.00 44.50 C ATOM 1158 OG SER A 71 12.366 -7.344 -16.238 1.00 24.22 O ATOM 0 H SER A 71 11.010 -4.438 -14.022 1.00 51.34 H new ATOM 0 HA SER A 71 10.120 -7.006 -14.859 1.00 54.34 H new ATOM 0 HB2 SER A 71 11.554 -5.453 -16.205 1.00 44.50 H new ATOM 0 HB3 SER A 71 12.875 -5.717 -15.084 1.00 44.50 H new ATOM 0 HG SER A 71 13.007 -7.102 -16.939 1.00 24.22 H new ATOM 1164 N LYS A 72 11.107 -8.681 -13.304 1.00 35.23 N ATOM 1165 CA LYS A 72 11.472 -9.661 -12.272 1.00 44.04 C ATOM 1166 C LYS A 72 12.690 -10.472 -12.759 1.00 12.11 C ATOM 1167 O LYS A 72 13.817 -10.257 -12.295 1.00 60.34 O ATOM 1168 CB LYS A 72 10.246 -10.578 -11.954 1.00 2.32 C ATOM 1169 CG LYS A 72 8.887 -9.833 -11.935 1.00 22.13 C ATOM 1170 CD LYS A 72 7.723 -10.692 -11.392 1.00 71.23 C ATOM 1171 CE LYS A 72 6.352 -10.006 -11.537 1.00 1.23 C ATOM 1172 NZ LYS A 72 5.971 -9.790 -12.960 1.00 14.51 N ATOM 0 H LYS A 72 10.432 -9.036 -13.982 1.00 35.23 H new ATOM 0 HA LYS A 72 11.748 -9.155 -11.347 1.00 44.04 H new ATOM 0 HB2 LYS A 72 10.201 -11.376 -12.695 1.00 2.32 H new ATOM 0 HB3 LYS A 72 10.402 -11.052 -10.985 1.00 2.32 H new ATOM 0 HG2 LYS A 72 8.982 -8.935 -11.324 1.00 22.13 H new ATOM 0 HG3 LYS A 72 8.646 -9.506 -12.947 1.00 22.13 H new ATOM 0 HD2 LYS A 72 7.704 -11.645 -11.921 1.00 71.23 H new ATOM 0 HD3 LYS A 72 7.903 -10.915 -10.340 1.00 71.23 H new ATOM 0 HE2 LYS A 72 5.591 -10.615 -11.049 1.00 1.23 H new ATOM 0 HE3 LYS A 72 6.373 -9.047 -11.020 1.00 1.23 H new ATOM 0 HZ1 LYS A 72 4.973 -9.501 -13.012 1.00 14.51 H new ATOM 0 HZ2 LYS A 72 6.569 -9.045 -13.370 1.00 14.51 H new ATOM 0 HZ3 LYS A 72 6.104 -10.673 -13.493 1.00 14.51 H new ATOM 1186 N SER A 73 12.448 -11.378 -13.726 1.00 24.14 N ATOM 1187 CA SER A 73 13.485 -12.220 -14.350 1.00 21.41 C ATOM 1188 C SER A 73 12.993 -12.665 -15.736 1.00 4.41 C ATOM 1189 O SER A 73 12.157 -13.571 -15.833 1.00 4.54 O ATOM 1190 CB SER A 73 13.818 -13.455 -13.460 1.00 63.21 C ATOM 1191 OG SER A 73 14.488 -13.072 -12.264 1.00 3.24 O ATOM 0 H SER A 73 11.514 -11.547 -14.100 1.00 24.14 H new ATOM 0 HA SER A 73 14.403 -11.641 -14.455 1.00 21.41 H new ATOM 0 HB2 SER A 73 12.898 -13.983 -13.209 1.00 63.21 H new ATOM 0 HB3 SER A 73 14.442 -14.151 -14.021 1.00 63.21 H new ATOM 0 HG SER A 73 14.487 -12.095 -12.187 1.00 3.24 H new ATOM 1197 N LEU A 74 13.473 -11.983 -16.797 1.00 33.22 N ATOM 1198 CA LEU A 74 13.131 -12.321 -18.192 1.00 3.35 C ATOM 1199 C LEU A 74 13.800 -13.672 -18.540 1.00 34.21 C ATOM 1200 O LEU A 74 14.979 -13.729 -18.918 1.00 33.53 O ATOM 1201 CB LEU A 74 13.570 -11.171 -19.171 1.00 71.43 C ATOM 1202 CG LEU A 74 12.820 -11.057 -20.560 1.00 34.33 C ATOM 1203 CD1 LEU A 74 13.375 -9.879 -21.393 1.00 1.45 C ATOM 1204 CD2 LEU A 74 12.849 -12.367 -21.394 1.00 25.31 C ATOM 0 H LEU A 74 14.105 -11.187 -16.710 1.00 33.22 H new ATOM 0 HA LEU A 74 12.051 -12.421 -18.304 1.00 3.35 H new ATOM 0 HB2 LEU A 74 13.451 -10.222 -18.648 1.00 71.43 H new ATOM 0 HB3 LEU A 74 14.634 -11.292 -19.374 1.00 71.43 H new ATOM 0 HG LEU A 74 11.774 -10.869 -20.317 1.00 34.33 H new ATOM 0 HD11 LEU A 74 12.843 -9.822 -22.343 1.00 1.45 H new ATOM 0 HD12 LEU A 74 13.237 -8.948 -20.844 1.00 1.45 H new ATOM 0 HD13 LEU A 74 14.437 -10.035 -21.581 1.00 1.45 H new ATOM 0 HD21 LEU A 74 12.316 -12.213 -22.332 1.00 25.31 H new ATOM 0 HD22 LEU A 74 13.883 -12.641 -21.605 1.00 25.31 H new ATOM 0 HD23 LEU A 74 12.369 -13.167 -20.831 1.00 25.31 H new ATOM 1216 N SER A 75 13.034 -14.746 -18.346 1.00 45.23 N ATOM 1217 CA SER A 75 13.444 -16.115 -18.681 1.00 40.52 C ATOM 1218 C SER A 75 12.661 -16.583 -19.922 1.00 11.15 C ATOM 1219 O SER A 75 11.811 -15.850 -20.450 1.00 70.35 O ATOM 1220 CB SER A 75 13.189 -17.037 -17.462 1.00 14.51 C ATOM 1221 OG SER A 75 13.672 -18.354 -17.683 1.00 61.43 O ATOM 0 H SER A 75 12.097 -14.691 -17.946 1.00 45.23 H new ATOM 0 HA SER A 75 14.508 -16.153 -18.915 1.00 40.52 H new ATOM 0 HB2 SER A 75 13.673 -16.616 -16.581 1.00 14.51 H new ATOM 0 HB3 SER A 75 12.120 -17.073 -17.252 1.00 14.51 H new ATOM 0 HG SER A 75 13.494 -18.905 -16.892 1.00 61.43 H new ATOM 1227 N SER A 76 12.972 -17.794 -20.402 1.00 12.41 N ATOM 1228 CA SER A 76 12.213 -18.434 -21.484 1.00 42.30 C ATOM 1229 C SER A 76 10.875 -18.949 -20.923 1.00 61.34 C ATOM 1230 O SER A 76 10.861 -19.640 -19.891 1.00 23.33 O ATOM 1231 CB SER A 76 13.035 -19.592 -22.101 1.00 11.24 C ATOM 1232 OG SER A 76 13.378 -20.564 -21.124 1.00 13.43 O ATOM 0 H SER A 76 13.751 -18.354 -20.055 1.00 12.41 H new ATOM 0 HA SER A 76 12.013 -17.709 -22.272 1.00 42.30 H new ATOM 0 HB2 SER A 76 12.460 -20.063 -22.899 1.00 11.24 H new ATOM 0 HB3 SER A 76 13.943 -19.194 -22.554 1.00 11.24 H new ATOM 0 HG SER A 76 12.677 -20.602 -20.440 1.00 13.43 H new ATOM 1238 N THR A 77 9.751 -18.578 -21.567 1.00 23.05 N ATOM 1239 CA THR A 77 8.422 -19.072 -21.172 1.00 41.53 C ATOM 1240 C THR A 77 8.287 -20.559 -21.589 1.00 24.31 C ATOM 1241 O THR A 77 8.530 -20.888 -22.762 1.00 4.35 O ATOM 1242 CB THR A 77 7.254 -18.193 -21.778 1.00 42.53 C ATOM 1243 OG1 THR A 77 5.964 -18.744 -21.433 1.00 14.50 O ATOM 1244 CG2 THR A 77 7.351 -18.028 -23.306 1.00 13.10 C ATOM 0 H THR A 77 9.739 -17.939 -22.362 1.00 23.05 H new ATOM 0 HA THR A 77 8.330 -18.992 -20.089 1.00 41.53 H new ATOM 0 HB THR A 77 7.364 -17.203 -21.336 1.00 42.53 H new ATOM 0 HG1 THR A 77 5.256 -18.185 -21.816 1.00 14.50 H new ATOM 0 HG21 THR A 77 6.521 -17.415 -23.659 1.00 13.10 H new ATOM 0 HG22 THR A 77 8.294 -17.544 -23.561 1.00 13.10 H new ATOM 0 HG23 THR A 77 7.306 -19.008 -23.781 1.00 13.10 H new ATOM 1252 N PRO A 78 7.981 -21.500 -20.621 1.00 73.53 N ATOM 1253 CA PRO A 78 7.690 -22.917 -20.956 1.00 73.22 C ATOM 1254 C PRO A 78 6.551 -23.052 -21.995 1.00 61.35 C ATOM 1255 O PRO A 78 5.452 -22.524 -21.789 1.00 73.11 O ATOM 1256 CB PRO A 78 7.283 -23.531 -19.590 1.00 30.10 C ATOM 1257 CG PRO A 78 7.988 -22.686 -18.571 1.00 31.13 C ATOM 1258 CD PRO A 78 7.958 -21.279 -19.140 1.00 22.51 C ATOM 0 HA PRO A 78 8.542 -23.417 -21.417 1.00 73.22 H new ATOM 0 HB2 PRO A 78 6.203 -23.503 -19.449 1.00 30.10 H new ATOM 0 HB3 PRO A 78 7.587 -24.575 -19.518 1.00 30.10 H new ATOM 0 HG2 PRO A 78 7.486 -22.732 -17.605 1.00 31.13 H new ATOM 0 HG3 PRO A 78 9.011 -23.027 -18.415 1.00 31.13 H new ATOM 0 HD2 PRO A 78 7.064 -20.739 -18.829 1.00 22.51 H new ATOM 0 HD3 PRO A 78 8.815 -20.694 -18.808 1.00 22.51 H new ATOM 1266 N GLN A 79 6.850 -23.716 -23.126 1.00 4.11 N ATOM 1267 CA GLN A 79 5.865 -23.950 -24.207 1.00 22.32 C ATOM 1268 C GLN A 79 4.684 -24.811 -23.706 1.00 31.54 C ATOM 1269 O GLN A 79 4.872 -25.729 -22.893 1.00 51.53 O ATOM 1270 CB GLN A 79 6.528 -24.592 -25.467 1.00 44.40 C ATOM 1271 CG GLN A 79 6.997 -26.065 -25.331 1.00 2.21 C ATOM 1272 CD GLN A 79 7.549 -26.634 -26.638 1.00 71.24 C ATOM 1273 OE1 GLN A 79 6.814 -27.208 -27.447 1.00 11.31 O ATOM 1274 NE2 GLN A 79 8.838 -26.466 -26.874 1.00 31.31 N ATOM 0 H GLN A 79 7.773 -24.104 -23.319 1.00 4.11 H new ATOM 0 HA GLN A 79 5.474 -22.977 -24.504 1.00 22.32 H new ATOM 0 HB2 GLN A 79 5.818 -24.535 -26.292 1.00 44.40 H new ATOM 0 HB3 GLN A 79 7.389 -23.985 -25.746 1.00 44.40 H new ATOM 0 HG2 GLN A 79 7.765 -26.127 -24.560 1.00 2.21 H new ATOM 0 HG3 GLN A 79 6.160 -26.679 -24.998 1.00 2.21 H new ATOM 0 HE21 GLN A 79 9.424 -25.988 -26.189 1.00 31.31 H new ATOM 0 HE22 GLN A 79 9.247 -26.814 -27.741 1.00 31.31 H new ATOM 1283 N ALA A 80 3.474 -24.481 -24.171 1.00 33.25 N ATOM 1284 CA ALA A 80 2.233 -25.181 -23.798 1.00 10.23 C ATOM 1285 C ALA A 80 1.456 -25.530 -25.080 1.00 13.22 C ATOM 1286 O ALA A 80 1.168 -24.621 -25.879 1.00 74.31 O ATOM 1287 CB ALA A 80 1.383 -24.303 -22.855 1.00 1.35 C ATOM 0 H ALA A 80 3.324 -23.712 -24.824 1.00 33.25 H new ATOM 0 HA ALA A 80 2.472 -26.100 -23.263 1.00 10.23 H new ATOM 0 HB1 ALA A 80 0.469 -24.834 -22.588 1.00 1.35 H new ATOM 0 HB2 ALA A 80 1.952 -24.083 -21.951 1.00 1.35 H new ATOM 0 HB3 ALA A 80 1.127 -23.371 -23.358 1.00 1.35 H new ATOM 1293 N PRO A 81 1.115 -26.843 -25.324 1.00 62.42 N ATOM 1294 CA PRO A 81 0.386 -27.251 -26.542 1.00 72.42 C ATOM 1295 C PRO A 81 -1.088 -26.788 -26.491 1.00 71.50 C ATOM 1296 O PRO A 81 -1.914 -27.355 -25.760 1.00 62.03 O ATOM 1297 CB PRO A 81 0.537 -28.796 -26.556 1.00 53.10 C ATOM 1298 CG PRO A 81 0.703 -29.183 -25.112 1.00 31.11 C ATOM 1299 CD PRO A 81 1.410 -28.014 -24.441 1.00 75.22 C ATOM 0 HA PRO A 81 0.776 -26.800 -27.454 1.00 72.42 H new ATOM 0 HB2 PRO A 81 -0.339 -29.274 -26.995 1.00 53.10 H new ATOM 0 HB3 PRO A 81 1.399 -29.103 -27.149 1.00 53.10 H new ATOM 0 HG2 PRO A 81 -0.264 -29.373 -24.646 1.00 31.11 H new ATOM 0 HG3 PRO A 81 1.288 -30.098 -25.018 1.00 31.11 H new ATOM 0 HD2 PRO A 81 1.038 -27.852 -23.429 1.00 75.22 H new ATOM 0 HD3 PRO A 81 2.483 -28.191 -24.361 1.00 75.22 H new ATOM 1307 N VAL A 82 -1.373 -25.691 -27.220 1.00 41.13 N ATOM 1308 CA VAL A 82 -2.728 -25.116 -27.346 1.00 64.42 C ATOM 1309 C VAL A 82 -3.709 -26.140 -27.968 1.00 22.24 C ATOM 1310 O VAL A 82 -3.300 -26.979 -28.789 1.00 22.13 O ATOM 1311 CB VAL A 82 -2.700 -23.776 -28.187 1.00 75.25 C ATOM 1312 CG1 VAL A 82 -2.404 -24.015 -29.695 1.00 11.14 C ATOM 1313 CG2 VAL A 82 -4.001 -22.954 -27.993 1.00 41.03 C ATOM 0 H VAL A 82 -0.665 -25.175 -27.742 1.00 41.13 H new ATOM 0 HA VAL A 82 -3.084 -24.875 -26.344 1.00 64.42 H new ATOM 0 HB VAL A 82 -1.869 -23.189 -27.796 1.00 75.25 H new ATOM 0 HG11 VAL A 82 -2.398 -23.060 -30.220 1.00 11.14 H new ATOM 0 HG12 VAL A 82 -1.432 -24.495 -29.803 1.00 11.14 H new ATOM 0 HG13 VAL A 82 -3.175 -24.657 -30.120 1.00 11.14 H new ATOM 0 HG21 VAL A 82 -3.946 -22.041 -28.585 1.00 41.03 H new ATOM 0 HG22 VAL A 82 -4.857 -23.546 -28.317 1.00 41.03 H new ATOM 0 HG23 VAL A 82 -4.115 -22.697 -26.940 1.00 41.03 H new ATOM 1323 N SER A 83 -4.994 -26.092 -27.551 1.00 45.22 N ATOM 1324 CA SER A 83 -6.025 -27.020 -28.050 1.00 34.05 C ATOM 1325 C SER A 83 -6.496 -26.575 -29.454 1.00 75.32 C ATOM 1326 O SER A 83 -7.584 -25.997 -29.627 1.00 74.22 O ATOM 1327 CB SER A 83 -7.208 -27.111 -27.052 1.00 0.14 C ATOM 1328 OG SER A 83 -8.134 -28.125 -27.421 1.00 14.30 O ATOM 0 H SER A 83 -5.339 -25.417 -26.868 1.00 45.22 H new ATOM 0 HA SER A 83 -5.597 -28.019 -28.136 1.00 34.05 H new ATOM 0 HB2 SER A 83 -6.825 -27.315 -26.052 1.00 0.14 H new ATOM 0 HB3 SER A 83 -7.720 -26.150 -27.007 1.00 0.14 H new ATOM 0 HG SER A 83 -8.865 -28.154 -26.769 1.00 14.30 H new ATOM 1334 N LYS A 84 -5.615 -26.811 -30.430 1.00 52.24 N ATOM 1335 CA LYS A 84 -5.814 -26.465 -31.836 1.00 52.30 C ATOM 1336 C LYS A 84 -4.772 -27.278 -32.613 1.00 1.10 C ATOM 1337 O LYS A 84 -3.566 -27.042 -32.482 1.00 70.14 O ATOM 1338 CB LYS A 84 -5.634 -24.925 -32.072 1.00 12.34 C ATOM 1339 CG LYS A 84 -6.171 -24.351 -33.427 1.00 73.51 C ATOM 1340 CD LYS A 84 -5.404 -24.816 -34.699 1.00 73.13 C ATOM 1341 CE LYS A 84 -3.904 -24.443 -34.700 1.00 31.35 C ATOM 1342 NZ LYS A 84 -3.692 -22.981 -34.608 1.00 73.04 N ATOM 0 H LYS A 84 -4.717 -27.262 -30.256 1.00 52.24 H new ATOM 0 HA LYS A 84 -6.826 -26.699 -32.167 1.00 52.30 H new ATOM 0 HB2 LYS A 84 -6.131 -24.396 -31.258 1.00 12.34 H new ATOM 0 HB3 LYS A 84 -4.571 -24.692 -32.002 1.00 12.34 H new ATOM 0 HG2 LYS A 84 -7.219 -24.633 -33.532 1.00 73.51 H new ATOM 0 HG3 LYS A 84 -6.137 -23.263 -33.380 1.00 73.51 H new ATOM 0 HD2 LYS A 84 -5.499 -25.898 -34.793 1.00 73.13 H new ATOM 0 HD3 LYS A 84 -5.878 -24.377 -35.577 1.00 73.13 H new ATOM 0 HE2 LYS A 84 -3.409 -24.934 -33.862 1.00 31.35 H new ATOM 0 HE3 LYS A 84 -3.438 -24.819 -35.611 1.00 31.35 H new ATOM 0 HZ1 LYS A 84 -2.673 -22.776 -34.629 1.00 73.04 H new ATOM 0 HZ2 LYS A 84 -4.156 -22.512 -35.412 1.00 73.04 H new ATOM 0 HZ3 LYS A 84 -4.098 -22.627 -33.719 1.00 73.04 H new ATOM 1356 N ARG A 85 -5.248 -28.249 -33.381 1.00 44.44 N ATOM 1357 CA ARG A 85 -4.418 -29.087 -34.254 1.00 14.22 C ATOM 1358 C ARG A 85 -4.729 -28.736 -35.709 1.00 42.02 C ATOM 1359 O ARG A 85 -5.770 -28.134 -36.010 1.00 62.04 O ATOM 1360 CB ARG A 85 -4.667 -30.605 -33.990 1.00 24.42 C ATOM 1361 CG ARG A 85 -4.176 -31.162 -32.620 1.00 72.54 C ATOM 1362 CD ARG A 85 -4.931 -30.614 -31.386 1.00 41.54 C ATOM 1363 NE ARG A 85 -6.396 -30.610 -31.581 1.00 54.55 N ATOM 1364 CZ ARG A 85 -7.326 -30.612 -30.612 1.00 22.22 C ATOM 1365 NH1 ARG A 85 -6.989 -30.625 -29.324 1.00 42.34 N ATOM 1366 NH2 ARG A 85 -8.605 -30.568 -30.953 1.00 13.42 N ATOM 0 H ARG A 85 -6.239 -28.485 -33.420 1.00 44.44 H new ATOM 0 HA ARG A 85 -3.367 -28.892 -34.042 1.00 14.22 H new ATOM 0 HB2 ARG A 85 -5.737 -30.794 -34.071 1.00 24.42 H new ATOM 0 HB3 ARG A 85 -4.181 -31.173 -34.783 1.00 24.42 H new ATOM 0 HG2 ARG A 85 -4.268 -32.248 -32.632 1.00 72.54 H new ATOM 0 HG3 ARG A 85 -3.116 -30.933 -32.510 1.00 72.54 H new ATOM 0 HD2 ARG A 85 -4.684 -31.219 -30.514 1.00 41.54 H new ATOM 0 HD3 ARG A 85 -4.592 -29.600 -31.176 1.00 41.54 H new ATOM 0 HE ARG A 85 -6.733 -30.605 -32.544 1.00 54.55 H new ATOM 0 HH11 ARG A 85 -6.005 -30.634 -29.054 1.00 42.34 H new ATOM 0 HH12 ARG A 85 -7.714 -30.626 -28.607 1.00 42.34 H new ATOM 0 HH21 ARG A 85 -8.869 -30.533 -31.938 1.00 13.42 H new ATOM 0 HH22 ARG A 85 -9.326 -30.569 -30.231 1.00 13.42 H new ATOM 1380 N ARG A 86 -3.817 -29.131 -36.604 1.00 11.45 N ATOM 1381 CA ARG A 86 -3.950 -28.920 -38.052 1.00 32.53 C ATOM 1382 C ARG A 86 -5.116 -29.764 -38.619 1.00 45.23 C ATOM 1383 O ARG A 86 -5.822 -29.326 -39.542 1.00 40.11 O ATOM 1384 CB ARG A 86 -2.602 -29.269 -38.755 1.00 72.31 C ATOM 1385 CG ARG A 86 -2.551 -28.982 -40.280 1.00 61.03 C ATOM 1386 CD ARG A 86 -2.806 -27.503 -40.633 1.00 53.30 C ATOM 1387 NE ARG A 86 -1.811 -26.602 -40.019 1.00 11.44 N ATOM 1388 CZ ARG A 86 -1.934 -25.267 -39.898 1.00 32.53 C ATOM 1389 NH1 ARG A 86 -3.020 -24.635 -40.336 1.00 40.34 N ATOM 1390 NH2 ARG A 86 -0.955 -24.565 -39.345 1.00 51.45 N ATOM 0 H ARG A 86 -2.956 -29.611 -36.342 1.00 11.45 H new ATOM 0 HA ARG A 86 -4.181 -27.872 -38.245 1.00 32.53 H new ATOM 0 HB2 ARG A 86 -1.803 -28.708 -38.270 1.00 72.31 H new ATOM 0 HB3 ARG A 86 -2.391 -30.326 -38.594 1.00 72.31 H new ATOM 0 HG2 ARG A 86 -1.575 -29.277 -40.665 1.00 61.03 H new ATOM 0 HG3 ARG A 86 -3.293 -29.601 -40.784 1.00 61.03 H new ATOM 0 HD2 ARG A 86 -2.784 -27.381 -41.716 1.00 53.30 H new ATOM 0 HD3 ARG A 86 -3.804 -27.219 -40.300 1.00 53.30 H new ATOM 0 HE ARG A 86 -0.958 -27.027 -39.656 1.00 11.44 H new ATOM 0 HH11 ARG A 86 -3.776 -25.163 -40.772 1.00 40.34 H new ATOM 0 HH12 ARG A 86 -3.096 -23.623 -40.236 1.00 40.34 H new ATOM 0 HH21 ARG A 86 -0.114 -25.037 -39.014 1.00 51.45 H new ATOM 0 HH22 ARG A 86 -1.043 -23.553 -39.251 1.00 51.45 H new ATOM 1404 N ALA A 87 -5.316 -30.960 -38.034 1.00 4.40 N ATOM 1405 CA ALA A 87 -6.385 -31.896 -38.427 1.00 11.00 C ATOM 1406 C ALA A 87 -7.588 -31.835 -37.463 1.00 71.01 C ATOM 1407 O ALA A 87 -8.568 -32.565 -37.666 1.00 71.51 O ATOM 1408 CB ALA A 87 -5.812 -33.323 -38.492 1.00 4.34 C ATOM 0 H ALA A 87 -4.736 -31.306 -37.270 1.00 4.40 H new ATOM 0 HA ALA A 87 -6.753 -31.603 -39.410 1.00 11.00 H new ATOM 0 HB1 ALA A 87 -6.600 -34.018 -38.782 1.00 4.34 H new ATOM 0 HB2 ALA A 87 -5.007 -33.359 -39.226 1.00 4.34 H new ATOM 0 HB3 ALA A 87 -5.423 -33.604 -37.513 1.00 4.34 H new ATOM 1414 N ALA A 88 -7.516 -30.973 -36.417 1.00 64.24 N ATOM 1415 CA ALA A 88 -8.578 -30.863 -35.396 1.00 54.45 C ATOM 1416 C ALA A 88 -8.576 -29.439 -34.772 1.00 52.51 C ATOM 1417 O ALA A 88 -8.091 -29.257 -33.640 1.00 61.13 O ATOM 1418 CB ALA A 88 -8.417 -31.977 -34.335 1.00 71.54 C ATOM 1419 OXT ALA A 88 -9.028 -28.494 -35.445 1.00 37.42 O ATOM 0 H ALA A 88 -6.728 -30.344 -36.262 1.00 64.24 H new ATOM 0 HA ALA A 88 -9.552 -31.006 -35.864 1.00 54.45 H new ATOM 0 HB1 ALA A 88 -9.206 -31.885 -33.588 1.00 71.54 H new ATOM 0 HB2 ALA A 88 -8.486 -32.952 -34.818 1.00 71.54 H new ATOM 0 HB3 ALA A 88 -7.445 -31.880 -33.850 1.00 71.54 H new TER 1425 ALA A 88