USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=15 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 18 GLN : amide:sc= 0.903 K(o=2,f=-7.9!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ -152:sc= 1.06 (180deg=-0.0554) USER MOD Set 2.1: A 2 GLN : amide:sc= 1.06 K(o=2,f=0.34) USER MOD Set 2.2: A 4 THR OG1 : rot 180:sc= 0.93 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.0313 (180deg=-0.342) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -114:sc= 0.309 (180deg=-2.55!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 24:sc= -0.0925 USER MOD Single : A 36 MET CE :methyl 138:sc= -0.197 (180deg=-1.04) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.167 (180deg=-0.892) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -152:sc= 0 (180deg=-0.0818) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -4.53! C(o=-4.5!,f=-7.8!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 83 ASN : amide:sc= -0.176 K(o=-0.18,f=-5.5!) USER MOD Single : A 88 ASN : amide:sc= -0.503 K(o=-0.5,f=-1.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.716 K(o=-0.72,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 60.145 17.834 -23.999 1.00 0.00 N ATOM 2 CA PRO A 1 59.103 17.360 -23.053 1.00 0.00 C ATOM 3 C PRO A 1 59.348 15.893 -22.712 1.00 0.00 C ATOM 4 O PRO A 1 59.071 15.004 -23.518 1.00 0.00 O ATOM 5 CB PRO A 1 57.743 17.523 -23.725 1.00 0.00 C ATOM 6 CG PRO A 1 58.053 17.812 -25.158 1.00 0.00 C ATOM 7 CD PRO A 1 59.477 18.388 -25.209 1.00 0.00 C ATOM 0 H2 PRO A 1 60.763 17.065 -24.258 1.00 0.00 H new ATOM 0 H3 PRO A 1 60.725 18.548 -23.557 1.00 0.00 H new ATOM 0 HA PRO A 1 59.135 17.939 -22.130 1.00 0.00 H new ATOM 0 HB2 PRO A 1 57.143 16.619 -23.626 1.00 0.00 H new ATOM 0 HB3 PRO A 1 57.174 18.335 -23.273 1.00 0.00 H new ATOM 0 HG2 PRO A 1 57.984 16.904 -25.757 1.00 0.00 H new ATOM 0 HG3 PRO A 1 57.336 18.522 -25.571 1.00 0.00 H new ATOM 0 HD2 PRO A 1 59.994 18.088 -26.121 1.00 0.00 H new ATOM 0 HD3 PRO A 1 59.465 19.478 -25.193 1.00 0.00 H new ATOM 17 N GLN A 2 59.866 15.646 -21.513 1.00 0.00 N ATOM 18 CA GLN A 2 60.141 14.281 -21.077 1.00 0.00 C ATOM 19 C GLN A 2 60.963 13.540 -22.127 1.00 0.00 C ATOM 20 O GLN A 2 60.523 12.528 -22.674 1.00 0.00 O ATOM 21 CB GLN A 2 58.827 13.534 -20.834 1.00 0.00 C ATOM 22 CG GLN A 2 59.112 12.208 -20.127 1.00 0.00 C ATOM 23 CD GLN A 2 59.454 12.458 -18.662 1.00 0.00 C ATOM 24 OE1 GLN A 2 58.619 12.952 -17.904 1.00 0.00 O ATOM 25 NE2 GLN A 2 60.639 12.145 -18.215 1.00 0.00 N ATOM 0 H GLN A 2 60.102 16.366 -20.831 1.00 0.00 H new ATOM 0 HA GLN A 2 60.710 14.324 -20.149 1.00 0.00 H new ATOM 0 HB2 GLN A 2 58.157 14.144 -20.228 1.00 0.00 H new ATOM 0 HB3 GLN A 2 58.321 13.351 -21.782 1.00 0.00 H new ATOM 0 HG2 GLN A 2 58.243 11.554 -20.199 1.00 0.00 H new ATOM 0 HG3 GLN A 2 59.938 11.695 -20.619 1.00 0.00 H new ATOM 0 HE21 GLN A 2 61.330 11.736 -18.844 1.00 0.00 H new ATOM 0 HE22 GLN A 2 60.875 12.309 -17.236 1.00 0.00 H new ATOM 34 N ILE A 3 62.154 14.054 -22.408 1.00 0.00 N ATOM 35 CA ILE A 3 63.029 13.436 -23.398 1.00 0.00 C ATOM 36 C ILE A 3 63.344 11.994 -23.013 1.00 0.00 C ATOM 37 O ILE A 3 63.662 11.169 -23.869 1.00 0.00 O ATOM 38 CB ILE A 3 64.329 14.232 -23.513 1.00 0.00 C ATOM 39 CG1 ILE A 3 65.078 13.812 -24.781 1.00 0.00 C ATOM 40 CG2 ILE A 3 65.207 13.957 -22.290 1.00 0.00 C ATOM 41 CD1 ILE A 3 66.202 14.809 -25.063 1.00 0.00 C ATOM 0 H ILE A 3 62.535 14.892 -21.968 1.00 0.00 H new ATOM 0 HA ILE A 3 62.516 13.437 -24.359 1.00 0.00 H new ATOM 0 HB ILE A 3 64.097 15.296 -23.564 1.00 0.00 H new ATOM 0 HG12 ILE A 3 65.489 12.810 -24.658 1.00 0.00 H new ATOM 0 HG13 ILE A 3 64.391 13.774 -25.626 1.00 0.00 H new ATOM 0 HG21 ILE A 3 66.134 14.525 -22.372 1.00 0.00 H new ATOM 0 HG22 ILE A 3 64.677 14.257 -21.386 1.00 0.00 H new ATOM 0 HG23 ILE A 3 65.437 12.893 -22.239 1.00 0.00 H new ATOM 0 HD11 ILE A 3 66.735 14.510 -25.965 1.00 0.00 H new ATOM 0 HD12 ILE A 3 65.779 15.804 -25.204 1.00 0.00 H new ATOM 0 HD13 ILE A 3 66.894 14.825 -24.221 1.00 0.00 H new ATOM 53 N THR A 4 63.255 11.696 -21.721 1.00 0.00 N ATOM 54 CA THR A 4 63.536 10.349 -21.239 1.00 0.00 C ATOM 55 C THR A 4 62.331 9.438 -21.462 1.00 0.00 C ATOM 56 O THR A 4 61.210 9.913 -21.642 1.00 0.00 O ATOM 57 CB THR A 4 63.877 10.391 -19.748 1.00 0.00 C ATOM 58 OG1 THR A 4 62.698 10.657 -19.002 1.00 0.00 O ATOM 59 CG2 THR A 4 64.905 11.494 -19.492 1.00 0.00 C ATOM 0 H THR A 4 62.993 12.363 -20.995 1.00 0.00 H new ATOM 0 HA THR A 4 64.385 9.952 -21.796 1.00 0.00 H new ATOM 0 HB THR A 4 64.292 9.431 -19.441 1.00 0.00 H new ATOM 0 HG1 THR A 4 62.914 10.683 -18.047 1.00 0.00 H new ATOM 0 HG21 THR A 4 65.149 11.525 -18.430 1.00 0.00 H new ATOM 0 HG22 THR A 4 65.809 11.289 -20.066 1.00 0.00 H new ATOM 0 HG23 THR A 4 64.491 12.455 -19.797 1.00 0.00 H new ATOM 67 N LEU A 5 62.569 8.131 -21.450 1.00 0.00 N ATOM 68 CA LEU A 5 61.493 7.168 -21.654 1.00 0.00 C ATOM 69 C LEU A 5 61.614 6.010 -20.669 1.00 0.00 C ATOM 70 O LEU A 5 61.458 4.848 -21.044 1.00 0.00 O ATOM 71 CB LEU A 5 61.537 6.629 -23.085 1.00 0.00 C ATOM 72 CG LEU A 5 62.981 6.301 -23.466 1.00 0.00 C ATOM 73 CD1 LEU A 5 63.003 5.057 -24.355 1.00 0.00 C ATOM 74 CD2 LEU A 5 63.588 7.481 -24.228 1.00 0.00 C ATOM 0 H LEU A 5 63.489 7.717 -21.303 1.00 0.00 H new ATOM 0 HA LEU A 5 60.543 7.675 -21.486 1.00 0.00 H new ATOM 0 HB2 LEU A 5 60.917 5.736 -23.167 1.00 0.00 H new ATOM 0 HB3 LEU A 5 61.127 7.367 -23.775 1.00 0.00 H new ATOM 0 HG LEU A 5 63.561 6.114 -22.563 1.00 0.00 H new ATOM 0 HD11 LEU A 5 64.032 4.822 -24.627 1.00 0.00 H new ATOM 0 HD12 LEU A 5 62.570 4.216 -23.814 1.00 0.00 H new ATOM 0 HD13 LEU A 5 62.423 5.245 -25.258 1.00 0.00 H new ATOM 0 HD21 LEU A 5 64.617 7.248 -24.500 1.00 0.00 H new ATOM 0 HD22 LEU A 5 63.008 7.668 -25.131 1.00 0.00 H new ATOM 0 HD23 LEU A 5 63.572 8.369 -23.596 1.00 0.00 H new ATOM 86 N TRP A 6 61.894 6.333 -19.411 1.00 0.00 N ATOM 87 CA TRP A 6 62.033 5.305 -18.385 1.00 0.00 C ATOM 88 C TRP A 6 60.807 5.290 -17.476 1.00 0.00 C ATOM 89 O TRP A 6 60.396 6.325 -16.953 1.00 0.00 O ATOM 90 CB TRP A 6 63.283 5.573 -17.544 1.00 0.00 C ATOM 91 CG TRP A 6 64.467 5.783 -18.438 1.00 0.00 C ATOM 92 CD1 TRP A 6 64.648 5.211 -19.654 1.00 0.00 C ATOM 93 CD2 TRP A 6 65.637 6.621 -18.206 1.00 0.00 C ATOM 94 NE1 TRP A 6 65.854 5.643 -20.176 1.00 0.00 N ATOM 95 CE2 TRP A 6 66.500 6.514 -19.323 1.00 0.00 C ATOM 96 CE3 TRP A 6 66.031 7.456 -17.143 1.00 0.00 C ATOM 97 CZ2 TRP A 6 67.708 7.210 -19.384 1.00 0.00 C ATOM 98 CZ3 TRP A 6 67.246 8.158 -17.202 1.00 0.00 C ATOM 99 CH2 TRP A 6 68.082 8.035 -18.320 1.00 0.00 C ATOM 0 H TRP A 6 62.028 7.288 -19.079 1.00 0.00 H new ATOM 0 HA TRP A 6 62.124 4.337 -18.877 1.00 0.00 H new ATOM 0 HB2 TRP A 6 63.129 6.452 -16.918 1.00 0.00 H new ATOM 0 HB3 TRP A 6 63.467 4.733 -16.874 1.00 0.00 H new ATOM 0 HD1 TRP A 6 63.963 4.530 -20.136 1.00 0.00 H new ATOM 0 HE1 TRP A 6 66.221 5.353 -21.082 1.00 0.00 H new ATOM 0 HE3 TRP A 6 65.395 7.557 -16.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 68.349 7.112 -20.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 67.538 8.796 -16.381 1.00 0.00 H new ATOM 0 HH2 TRP A 6 69.015 8.578 -18.359 1.00 0.00 H new ATOM 110 N LYS A 7 60.233 4.105 -17.288 1.00 0.00 N ATOM 111 CA LYS A 7 59.058 3.964 -16.436 1.00 0.00 C ATOM 112 C LYS A 7 59.452 3.459 -15.051 1.00 0.00 C ATOM 113 O LYS A 7 59.426 4.208 -14.075 1.00 0.00 O ATOM 114 CB LYS A 7 58.065 2.989 -17.072 1.00 0.00 C ATOM 115 CG LYS A 7 56.786 2.946 -16.234 1.00 0.00 C ATOM 116 CD LYS A 7 55.808 1.940 -16.844 1.00 0.00 C ATOM 117 CE LYS A 7 54.484 1.987 -16.078 1.00 0.00 C ATOM 118 NZ LYS A 7 53.783 3.269 -16.374 1.00 0.00 N ATOM 0 H LYS A 7 60.559 3.236 -17.710 1.00 0.00 H new ATOM 0 HA LYS A 7 58.591 4.944 -16.332 1.00 0.00 H new ATOM 0 HB2 LYS A 7 57.835 3.300 -18.091 1.00 0.00 H new ATOM 0 HB3 LYS A 7 58.505 1.994 -17.135 1.00 0.00 H new ATOM 0 HG2 LYS A 7 57.021 2.664 -15.208 1.00 0.00 H new ATOM 0 HG3 LYS A 7 56.330 3.935 -16.197 1.00 0.00 H new ATOM 0 HD2 LYS A 7 55.640 2.172 -17.896 1.00 0.00 H new ATOM 0 HD3 LYS A 7 56.229 0.936 -16.802 1.00 0.00 H new ATOM 0 HE2 LYS A 7 53.856 1.143 -16.364 1.00 0.00 H new ATOM 0 HE3 LYS A 7 54.668 1.900 -15.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 52.776 3.178 -16.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 54.206 4.034 -15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 53.878 3.491 -17.386 1.00 0.00 H new ATOM 132 N ARG A 8 59.811 2.181 -14.976 1.00 0.00 N ATOM 133 CA ARG A 8 60.203 1.577 -13.707 1.00 0.00 C ATOM 134 C ARG A 8 61.711 1.722 -13.482 1.00 0.00 C ATOM 135 O ARG A 8 62.483 1.741 -14.440 1.00 0.00 O ATOM 136 CB ARG A 8 59.833 0.093 -13.713 1.00 0.00 C ATOM 137 CG ARG A 8 60.158 -0.499 -15.087 1.00 0.00 C ATOM 138 CD ARG A 8 60.103 -2.026 -15.020 1.00 0.00 C ATOM 139 NE ARG A 8 58.943 -2.460 -14.252 1.00 0.00 N ATOM 140 CZ ARG A 8 58.499 -3.709 -14.327 1.00 0.00 C ATOM 141 NH1 ARG A 8 59.098 -4.571 -15.105 1.00 0.00 N ATOM 142 NH2 ARG A 8 57.462 -4.076 -13.625 1.00 0.00 N ATOM 0 H ARG A 8 59.839 1.547 -15.774 1.00 0.00 H new ATOM 0 HA ARG A 8 59.677 2.089 -12.901 1.00 0.00 H new ATOM 0 HB2 ARG A 8 60.385 -0.435 -12.936 1.00 0.00 H new ATOM 0 HB3 ARG A 8 58.773 -0.031 -13.491 1.00 0.00 H new ATOM 0 HG2 ARG A 8 59.448 -0.133 -15.828 1.00 0.00 H new ATOM 0 HG3 ARG A 8 61.148 -0.175 -15.407 1.00 0.00 H new ATOM 0 HD2 ARG A 8 60.055 -2.439 -16.028 1.00 0.00 H new ATOM 0 HD3 ARG A 8 61.015 -2.409 -14.562 1.00 0.00 H new ATOM 0 HE ARG A 8 58.464 -1.793 -13.647 1.00 0.00 H new ATOM 0 HH11 ARG A 8 59.908 -4.285 -15.655 1.00 0.00 H new ATOM 0 HH12 ARG A 8 58.756 -5.530 -15.162 1.00 0.00 H new ATOM 0 HH21 ARG A 8 56.993 -3.403 -13.019 1.00 0.00 H new ATOM 0 HH22 ARG A 8 57.121 -5.036 -13.683 1.00 0.00 H new ATOM 156 N PRO A 9 62.147 1.812 -12.246 1.00 0.00 N ATOM 157 CA PRO A 9 63.595 1.942 -11.925 1.00 0.00 C ATOM 158 C PRO A 9 64.445 0.992 -12.763 1.00 0.00 C ATOM 159 O PRO A 9 64.616 -0.175 -12.413 1.00 0.00 O ATOM 160 CB PRO A 9 63.677 1.574 -10.443 1.00 0.00 C ATOM 161 CG PRO A 9 62.320 1.844 -9.874 1.00 0.00 C ATOM 162 CD PRO A 9 61.316 1.802 -11.030 1.00 0.00 C ATOM 0 HA PRO A 9 63.975 2.941 -12.140 1.00 0.00 H new ATOM 0 HB2 PRO A 9 63.952 0.527 -10.316 1.00 0.00 H new ATOM 0 HB3 PRO A 9 64.438 2.167 -9.935 1.00 0.00 H new ATOM 0 HG2 PRO A 9 62.066 1.100 -9.119 1.00 0.00 H new ATOM 0 HG3 PRO A 9 62.298 2.817 -9.383 1.00 0.00 H new ATOM 0 HD2 PRO A 9 60.694 0.908 -10.982 1.00 0.00 H new ATOM 0 HD3 PRO A 9 60.644 2.660 -11.002 1.00 0.00 H new ATOM 170 N LEU A 10 64.968 1.497 -13.874 1.00 0.00 N ATOM 171 CA LEU A 10 65.792 0.678 -14.758 1.00 0.00 C ATOM 172 C LEU A 10 67.261 0.784 -14.359 1.00 0.00 C ATOM 173 O LEU A 10 67.801 1.883 -14.225 1.00 0.00 O ATOM 174 CB LEU A 10 65.609 1.145 -16.208 1.00 0.00 C ATOM 175 CG LEU A 10 65.825 -0.023 -17.181 1.00 0.00 C ATOM 176 CD1 LEU A 10 67.188 -0.671 -16.937 1.00 0.00 C ATOM 177 CD2 LEU A 10 64.725 -1.069 -16.982 1.00 0.00 C ATOM 0 H LEU A 10 64.839 2.460 -14.183 1.00 0.00 H new ATOM 0 HA LEU A 10 65.481 -0.363 -14.671 1.00 0.00 H new ATOM 0 HB2 LEU A 10 64.608 1.556 -16.340 1.00 0.00 H new ATOM 0 HB3 LEU A 10 66.314 1.946 -16.430 1.00 0.00 H new ATOM 0 HG LEU A 10 65.789 0.360 -18.201 1.00 0.00 H new ATOM 0 HD11 LEU A 10 67.328 -1.498 -17.634 1.00 0.00 H new ATOM 0 HD12 LEU A 10 67.975 0.068 -17.088 1.00 0.00 H new ATOM 0 HD13 LEU A 10 67.235 -1.046 -15.915 1.00 0.00 H new ATOM 0 HD21 LEU A 10 64.881 -1.897 -17.674 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.758 -1.441 -15.958 1.00 0.00 H new ATOM 0 HD23 LEU A 10 63.752 -0.615 -17.172 1.00 0.00 H new ATOM 189 N VAL A 11 67.902 -0.366 -14.178 1.00 0.00 N ATOM 190 CA VAL A 11 69.310 -0.395 -13.804 1.00 0.00 C ATOM 191 C VAL A 11 70.154 -0.884 -14.975 1.00 0.00 C ATOM 192 O VAL A 11 69.817 -1.874 -15.624 1.00 0.00 O ATOM 193 CB VAL A 11 69.514 -1.323 -12.603 1.00 0.00 C ATOM 194 CG1 VAL A 11 70.981 -1.291 -12.171 1.00 0.00 C ATOM 195 CG2 VAL A 11 68.634 -0.850 -11.444 1.00 0.00 C ATOM 0 H VAL A 11 67.471 -1.285 -14.284 1.00 0.00 H new ATOM 0 HA VAL A 11 69.621 0.615 -13.536 1.00 0.00 H new ATOM 0 HB VAL A 11 69.241 -2.341 -12.881 1.00 0.00 H new ATOM 0 HG11 VAL A 11 71.123 -1.952 -11.316 1.00 0.00 H new ATOM 0 HG12 VAL A 11 71.611 -1.624 -12.996 1.00 0.00 H new ATOM 0 HG13 VAL A 11 71.256 -0.274 -11.892 1.00 0.00 H new ATOM 0 HG21 VAL A 11 68.776 -1.508 -10.587 1.00 0.00 H new ATOM 0 HG22 VAL A 11 68.910 0.168 -11.169 1.00 0.00 H new ATOM 0 HG23 VAL A 11 67.588 -0.872 -11.749 1.00 0.00 H new ATOM 205 N THR A 12 71.246 -0.180 -15.247 1.00 0.00 N ATOM 206 CA THR A 12 72.121 -0.550 -16.351 1.00 0.00 C ATOM 207 C THR A 12 73.483 -0.997 -15.835 1.00 0.00 C ATOM 208 O THR A 12 74.001 -0.448 -14.862 1.00 0.00 O ATOM 209 CB THR A 12 72.294 0.637 -17.300 1.00 0.00 C ATOM 210 OG1 THR A 12 71.017 1.078 -17.740 1.00 0.00 O ATOM 211 CG2 THR A 12 73.133 0.214 -18.505 1.00 0.00 C ATOM 0 H THR A 12 71.544 0.643 -14.723 1.00 0.00 H new ATOM 0 HA THR A 12 71.663 -1.381 -16.888 1.00 0.00 H new ATOM 0 HB THR A 12 72.800 1.449 -16.778 1.00 0.00 H new ATOM 0 HG1 THR A 12 71.125 1.840 -18.347 1.00 0.00 H new ATOM 0 HG21 THR A 12 73.255 1.062 -19.179 1.00 0.00 H new ATOM 0 HG22 THR A 12 74.112 -0.123 -18.166 1.00 0.00 H new ATOM 0 HG23 THR A 12 72.631 -0.599 -19.030 1.00 0.00 H new ATOM 219 N ILE A 13 74.060 -1.993 -16.498 1.00 0.00 N ATOM 220 CA ILE A 13 75.366 -2.504 -16.104 1.00 0.00 C ATOM 221 C ILE A 13 76.336 -2.417 -17.274 1.00 0.00 C ATOM 222 O ILE A 13 75.920 -2.359 -18.431 1.00 0.00 O ATOM 223 CB ILE A 13 75.239 -3.956 -15.632 1.00 0.00 C ATOM 224 CG1 ILE A 13 74.794 -4.846 -16.798 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.205 -4.034 -14.508 1.00 0.00 C ATOM 226 CD1 ILE A 13 74.721 -6.301 -16.331 1.00 0.00 C ATOM 0 H ILE A 13 73.647 -2.460 -17.305 1.00 0.00 H new ATOM 0 HA ILE A 13 75.750 -1.898 -15.283 1.00 0.00 H new ATOM 0 HB ILE A 13 76.206 -4.302 -15.267 1.00 0.00 H new ATOM 0 HG12 ILE A 13 73.820 -4.522 -17.166 1.00 0.00 H new ATOM 0 HG13 ILE A 13 75.495 -4.754 -17.628 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.112 -5.066 -14.170 1.00 0.00 H new ATOM 0 HG22 ILE A 13 74.524 -3.407 -13.676 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.240 -3.685 -14.876 1.00 0.00 H new ATOM 0 HD11 ILE A 13 74.405 -6.934 -17.160 1.00 0.00 H new ATOM 0 HD12 ILE A 13 75.703 -6.622 -15.984 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.003 -6.386 -15.515 1.00 0.00 H new ATOM 238 N LYS A 14 77.629 -2.412 -16.974 1.00 0.00 N ATOM 239 CA LYS A 14 78.631 -2.337 -18.027 1.00 0.00 C ATOM 240 C LYS A 14 79.834 -3.213 -17.699 1.00 0.00 C ATOM 241 O LYS A 14 80.375 -3.160 -16.592 1.00 0.00 O ATOM 242 CB LYS A 14 79.069 -0.884 -18.231 1.00 0.00 C ATOM 243 CG LYS A 14 79.819 -0.392 -16.994 1.00 0.00 C ATOM 244 CD LYS A 14 80.082 1.110 -17.125 1.00 0.00 C ATOM 245 CE LYS A 14 81.030 1.561 -16.009 1.00 0.00 C ATOM 246 NZ LYS A 14 82.388 1.791 -16.577 1.00 0.00 N ATOM 0 H LYS A 14 78.003 -2.458 -16.026 1.00 0.00 H new ATOM 0 HA LYS A 14 78.187 -2.707 -18.951 1.00 0.00 H new ATOM 0 HB2 LYS A 14 79.709 -0.807 -19.110 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.198 -0.254 -18.414 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.234 -0.593 -16.096 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.761 -0.930 -16.888 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.519 1.330 -18.099 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.144 1.661 -17.065 1.00 0.00 H new ATOM 0 HE2 LYS A 14 80.657 2.475 -15.547 1.00 0.00 H new ATOM 0 HE3 LYS A 14 81.074 0.804 -15.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 83.051 1.093 -16.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 82.353 1.691 -17.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 82.709 2.750 -16.332 1.00 0.00 H new ATOM 260 N ILE A 15 80.248 -4.020 -18.671 1.00 0.00 N ATOM 261 CA ILE A 15 81.390 -4.905 -18.484 1.00 0.00 C ATOM 262 C ILE A 15 82.399 -4.728 -19.614 1.00 0.00 C ATOM 263 O ILE A 15 82.099 -5.011 -20.774 1.00 0.00 O ATOM 264 CB ILE A 15 80.918 -6.358 -18.451 1.00 0.00 C ATOM 265 CG1 ILE A 15 79.890 -6.536 -17.330 1.00 0.00 C ATOM 266 CG2 ILE A 15 82.115 -7.275 -18.195 1.00 0.00 C ATOM 267 CD1 ILE A 15 79.274 -7.934 -17.423 1.00 0.00 C ATOM 0 H ILE A 15 79.812 -4.079 -19.591 1.00 0.00 H new ATOM 0 HA ILE A 15 81.871 -4.652 -17.539 1.00 0.00 H new ATOM 0 HB ILE A 15 80.461 -6.614 -19.407 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.367 -6.400 -16.359 1.00 0.00 H new ATOM 0 HG13 ILE A 15 79.112 -5.777 -17.411 1.00 0.00 H new ATOM 0 HG21 ILE A 15 81.780 -8.312 -18.171 1.00 0.00 H new ATOM 0 HG22 ILE A 15 82.847 -7.148 -18.992 1.00 0.00 H new ATOM 0 HG23 ILE A 15 82.572 -7.019 -17.239 1.00 0.00 H new ATOM 0 HD11 ILE A 15 78.542 -8.063 -16.626 1.00 0.00 H new ATOM 0 HD12 ILE A 15 78.783 -8.052 -18.389 1.00 0.00 H new ATOM 0 HD13 ILE A 15 80.058 -8.685 -17.320 1.00 0.00 H new ATOM 279 N GLY A 16 83.598 -4.272 -19.272 1.00 0.00 N ATOM 280 CA GLY A 16 84.642 -4.078 -20.271 1.00 0.00 C ATOM 281 C GLY A 16 84.376 -2.838 -21.119 1.00 0.00 C ATOM 282 O GLY A 16 85.042 -2.614 -22.129 1.00 0.00 O ATOM 0 H GLY A 16 83.870 -4.031 -18.319 1.00 0.00 H new ATOM 0 HA2 GLY A 16 85.608 -3.982 -19.776 1.00 0.00 H new ATOM 0 HA3 GLY A 16 84.700 -4.956 -20.915 1.00 0.00 H new ATOM 286 N GLY A 17 83.398 -2.038 -20.709 1.00 0.00 N ATOM 287 CA GLY A 17 83.055 -0.829 -21.449 1.00 0.00 C ATOM 288 C GLY A 17 81.871 -1.077 -22.375 1.00 0.00 C ATOM 289 O GLY A 17 81.477 -0.200 -23.145 1.00 0.00 O ATOM 0 H GLY A 17 82.833 -2.202 -19.876 1.00 0.00 H new ATOM 0 HA2 GLY A 17 82.815 -0.027 -20.752 1.00 0.00 H new ATOM 0 HA3 GLY A 17 83.915 -0.498 -22.032 1.00 0.00 H new ATOM 293 N GLN A 18 81.302 -2.274 -22.287 1.00 0.00 N ATOM 294 CA GLN A 18 80.154 -2.627 -23.114 1.00 0.00 C ATOM 295 C GLN A 18 78.869 -2.419 -22.322 1.00 0.00 C ATOM 296 O GLN A 18 78.829 -2.677 -21.121 1.00 0.00 O ATOM 297 CB GLN A 18 80.258 -4.086 -23.562 1.00 0.00 C ATOM 298 CG GLN A 18 81.512 -4.267 -24.421 1.00 0.00 C ATOM 299 CD GLN A 18 81.652 -5.726 -24.843 1.00 0.00 C ATOM 300 OE1 GLN A 18 80.990 -6.601 -24.285 1.00 0.00 O ATOM 301 NE2 GLN A 18 82.480 -6.042 -25.802 1.00 0.00 N ATOM 0 H GLN A 18 81.614 -3.012 -21.656 1.00 0.00 H new ATOM 0 HA GLN A 18 80.141 -1.988 -23.997 1.00 0.00 H new ATOM 0 HB2 GLN A 18 80.302 -4.742 -22.693 1.00 0.00 H new ATOM 0 HB3 GLN A 18 79.371 -4.367 -24.130 1.00 0.00 H new ATOM 0 HG2 GLN A 18 81.453 -3.629 -25.303 1.00 0.00 H new ATOM 0 HG3 GLN A 18 82.394 -3.956 -23.861 1.00 0.00 H new ATOM 0 HE21 GLN A 18 83.028 -5.315 -26.263 1.00 0.00 H new ATOM 0 HE22 GLN A 18 82.579 -7.015 -26.090 1.00 0.00 H new ATOM 310 N LEU A 19 77.826 -1.941 -22.989 1.00 0.00 N ATOM 311 CA LEU A 19 76.559 -1.692 -22.314 1.00 0.00 C ATOM 312 C LEU A 19 75.626 -2.893 -22.433 1.00 0.00 C ATOM 313 O LEU A 19 75.301 -3.335 -23.535 1.00 0.00 O ATOM 314 CB LEU A 19 75.886 -0.458 -22.918 1.00 0.00 C ATOM 315 CG LEU A 19 76.840 0.736 -22.834 1.00 0.00 C ATOM 316 CD1 LEU A 19 76.162 1.977 -23.415 1.00 0.00 C ATOM 317 CD2 LEU A 19 77.201 0.996 -21.370 1.00 0.00 C ATOM 0 H LEU A 19 77.831 -1.720 -23.985 1.00 0.00 H new ATOM 0 HA LEU A 19 76.764 -1.521 -21.257 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.616 -0.649 -23.957 1.00 0.00 H new ATOM 0 HB3 LEU A 19 74.962 -0.237 -22.384 1.00 0.00 H new ATOM 0 HG LEU A 19 77.744 0.517 -23.402 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.843 2.826 -23.354 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.902 1.795 -24.458 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.257 2.196 -22.848 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.880 1.846 -21.308 1.00 0.00 H new ATOM 0 HD22 LEU A 19 76.295 1.214 -20.805 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.685 0.113 -20.952 1.00 0.00 H new ATOM 329 N LYS A 20 75.192 -3.407 -21.286 1.00 0.00 N ATOM 330 CA LYS A 20 74.289 -4.551 -21.256 1.00 0.00 C ATOM 331 C LYS A 20 73.173 -4.312 -20.244 1.00 0.00 C ATOM 332 O LYS A 20 73.325 -3.516 -19.315 1.00 0.00 O ATOM 333 CB LYS A 20 75.060 -5.820 -20.888 1.00 0.00 C ATOM 334 CG LYS A 20 76.088 -6.127 -21.979 1.00 0.00 C ATOM 335 CD LYS A 20 76.780 -7.457 -21.670 1.00 0.00 C ATOM 336 CE LYS A 20 77.854 -7.729 -22.725 1.00 0.00 C ATOM 337 NZ LYS A 20 79.191 -7.356 -22.182 1.00 0.00 N ATOM 0 H LYS A 20 75.451 -3.049 -20.367 1.00 0.00 H new ATOM 0 HA LYS A 20 73.850 -4.676 -22.246 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.560 -5.689 -19.929 1.00 0.00 H new ATOM 0 HB3 LYS A 20 74.371 -6.657 -20.777 1.00 0.00 H new ATOM 0 HG2 LYS A 20 75.598 -6.177 -22.951 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.825 -5.326 -22.035 1.00 0.00 H new ATOM 0 HD2 LYS A 20 77.230 -7.423 -20.678 1.00 0.00 H new ATOM 0 HD3 LYS A 20 76.050 -8.266 -21.662 1.00 0.00 H new ATOM 0 HE2 LYS A 20 77.845 -8.782 -23.005 1.00 0.00 H new ATOM 0 HE3 LYS A 20 77.644 -7.157 -23.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 79.819 -7.082 -22.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 79.088 -6.557 -21.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 79.600 -8.169 -21.678 1.00 0.00 H new ATOM 351 N GLU A 21 72.052 -5.003 -20.425 1.00 0.00 N ATOM 352 CA GLU A 21 70.922 -4.852 -19.514 1.00 0.00 C ATOM 353 C GLU A 21 70.705 -6.131 -18.713 1.00 0.00 C ATOM 354 O GLU A 21 70.911 -7.234 -19.220 1.00 0.00 O ATOM 355 CB GLU A 21 69.655 -4.521 -20.307 1.00 0.00 C ATOM 356 CG GLU A 21 69.855 -3.210 -21.070 1.00 0.00 C ATOM 357 CD GLU A 21 70.620 -3.466 -22.365 1.00 0.00 C ATOM 358 OE1 GLU A 21 70.838 -4.622 -22.684 1.00 0.00 O ATOM 359 OE2 GLU A 21 70.978 -2.499 -23.019 1.00 0.00 O ATOM 0 H GLU A 21 71.902 -5.666 -21.185 1.00 0.00 H new ATOM 0 HA GLU A 21 71.141 -4.038 -18.823 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.429 -5.328 -21.004 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.804 -4.434 -19.632 1.00 0.00 H new ATOM 0 HG2 GLU A 21 68.888 -2.759 -21.293 1.00 0.00 H new ATOM 0 HG3 GLU A 21 70.402 -2.500 -20.450 1.00 0.00 H new ATOM 366 N ALA A 22 70.287 -5.977 -17.462 1.00 0.00 N ATOM 367 CA ALA A 22 70.047 -7.130 -16.603 1.00 0.00 C ATOM 368 C ALA A 22 68.960 -6.817 -15.580 1.00 0.00 C ATOM 369 O ALA A 22 68.820 -5.678 -15.135 1.00 0.00 O ATOM 370 CB ALA A 22 71.336 -7.519 -15.879 1.00 0.00 C ATOM 0 H ALA A 22 70.109 -5.074 -17.023 1.00 0.00 H new ATOM 0 HA ALA A 22 69.716 -7.962 -17.225 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.148 -8.381 -15.239 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.103 -7.771 -16.611 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.677 -6.682 -15.269 1.00 0.00 H new ATOM 376 N LEU A 23 68.195 -7.838 -15.209 1.00 0.00 N ATOM 377 CA LEU A 23 67.125 -7.667 -14.235 1.00 0.00 C ATOM 378 C LEU A 23 67.519 -8.280 -12.894 1.00 0.00 C ATOM 379 O LEU A 23 68.228 -9.285 -12.845 1.00 0.00 O ATOM 380 CB LEU A 23 65.839 -8.323 -14.745 1.00 0.00 C ATOM 381 CG LEU A 23 65.378 -7.628 -16.030 1.00 0.00 C ATOM 382 CD1 LEU A 23 65.952 -8.357 -17.246 1.00 0.00 C ATOM 383 CD2 LEU A 23 63.849 -7.651 -16.098 1.00 0.00 C ATOM 0 H LEU A 23 68.296 -8.788 -15.566 1.00 0.00 H new ATOM 0 HA LEU A 23 66.953 -6.600 -14.096 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.011 -9.383 -14.935 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.060 -8.257 -13.985 1.00 0.00 H new ATOM 0 HG LEU A 23 65.730 -6.596 -16.029 1.00 0.00 H new ATOM 0 HD11 LEU A 23 65.622 -7.859 -18.158 1.00 0.00 H new ATOM 0 HD12 LEU A 23 67.041 -8.342 -17.199 1.00 0.00 H new ATOM 0 HD13 LEU A 23 65.603 -9.390 -17.249 1.00 0.00 H new ATOM 0 HD21 LEU A 23 63.518 -7.157 -17.012 1.00 0.00 H new ATOM 0 HD22 LEU A 23 63.500 -8.684 -16.097 1.00 0.00 H new ATOM 0 HD23 LEU A 23 63.438 -7.129 -15.234 1.00 0.00 H new ATOM 395 N LEU A 24 67.056 -7.667 -11.809 1.00 0.00 N ATOM 396 CA LEU A 24 67.369 -8.162 -10.473 1.00 0.00 C ATOM 397 C LEU A 24 66.358 -9.222 -10.048 1.00 0.00 C ATOM 398 O LEU A 24 65.161 -9.085 -10.297 1.00 0.00 O ATOM 399 CB LEU A 24 67.351 -7.007 -9.469 1.00 0.00 C ATOM 400 CG LEU A 24 68.277 -5.890 -9.954 1.00 0.00 C ATOM 401 CD1 LEU A 24 68.344 -4.791 -8.893 1.00 0.00 C ATOM 402 CD2 LEU A 24 69.680 -6.455 -10.189 1.00 0.00 C ATOM 0 H LEU A 24 66.468 -6.834 -11.828 1.00 0.00 H new ATOM 0 HA LEU A 24 68.363 -8.608 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 24 66.336 -6.627 -9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 24 67.672 -7.359 -8.489 1.00 0.00 H new ATOM 0 HG LEU A 24 67.891 -5.476 -10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.003 -3.994 -9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.346 -4.388 -8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.731 -5.207 -7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 24 70.340 -5.659 -10.535 1.00 0.00 H new ATOM 0 HD22 LEU A 24 70.067 -6.868 -9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 24 69.634 -7.241 -10.943 1.00 0.00 H new ATOM 414 N ASP A 25 66.846 -10.281 -9.408 1.00 0.00 N ATOM 415 CA ASP A 25 65.968 -11.356 -8.960 1.00 0.00 C ATOM 416 C ASP A 25 66.421 -11.911 -7.613 1.00 0.00 C ATOM 417 O ASP A 25 67.401 -12.652 -7.532 1.00 0.00 O ATOM 418 CB ASP A 25 65.953 -12.480 -9.996 1.00 0.00 C ATOM 419 CG ASP A 25 64.921 -13.533 -9.608 1.00 0.00 C ATOM 420 OD1 ASP A 25 64.202 -13.304 -8.649 1.00 0.00 O ATOM 421 OD2 ASP A 25 64.864 -14.553 -10.276 1.00 0.00 O ATOM 0 H ASP A 25 67.833 -10.417 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 25 64.964 -10.947 -8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 25 65.719 -12.075 -10.981 1.00 0.00 H new ATOM 0 HB3 ASP A 25 66.941 -12.935 -10.065 1.00 0.00 H new ATOM 426 N THR A 26 65.697 -11.550 -6.558 1.00 0.00 N ATOM 427 CA THR A 26 66.022 -12.019 -5.216 1.00 0.00 C ATOM 428 C THR A 26 65.915 -13.539 -5.137 1.00 0.00 C ATOM 429 O THR A 26 66.473 -14.165 -4.236 1.00 0.00 O ATOM 430 CB THR A 26 65.071 -11.383 -4.198 1.00 0.00 C ATOM 431 OG1 THR A 26 65.114 -9.970 -4.333 1.00 0.00 O ATOM 432 CG2 THR A 26 65.500 -11.774 -2.783 1.00 0.00 C ATOM 0 H THR A 26 64.884 -10.936 -6.606 1.00 0.00 H new ATOM 0 HA THR A 26 67.047 -11.728 -4.987 1.00 0.00 H new ATOM 0 HB THR A 26 64.056 -11.736 -4.378 1.00 0.00 H new ATOM 0 HG1 THR A 26 64.505 -9.561 -3.684 1.00 0.00 H new ATOM 0 HG21 THR A 26 64.823 -11.321 -2.059 1.00 0.00 H new ATOM 0 HG22 THR A 26 65.469 -12.859 -2.680 1.00 0.00 H new ATOM 0 HG23 THR A 26 66.515 -11.421 -2.600 1.00 0.00 H new ATOM 440 N GLY A 27 65.197 -14.125 -6.090 1.00 0.00 N ATOM 441 CA GLY A 27 65.021 -15.572 -6.131 1.00 0.00 C ATOM 442 C GLY A 27 66.096 -16.212 -6.998 1.00 0.00 C ATOM 443 O GLY A 27 65.829 -17.144 -7.757 1.00 0.00 O ATOM 0 H GLY A 27 64.728 -13.621 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 27 65.069 -15.979 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 27 64.034 -15.814 -6.526 1.00 0.00 H new ATOM 447 N ALA A 28 67.314 -15.701 -6.875 1.00 0.00 N ATOM 448 CA ALA A 28 68.437 -16.224 -7.646 1.00 0.00 C ATOM 449 C ALA A 28 69.704 -16.256 -6.795 1.00 0.00 C ATOM 450 O ALA A 28 70.354 -15.231 -6.594 1.00 0.00 O ATOM 451 CB ALA A 28 68.675 -15.354 -8.881 1.00 0.00 C ATOM 0 H ALA A 28 67.550 -14.929 -6.252 1.00 0.00 H new ATOM 0 HA ALA A 28 68.195 -17.240 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.515 -15.752 -9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.781 -15.355 -9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.899 -14.334 -8.570 1.00 0.00 H new ATOM 457 N ASP A 29 70.047 -17.439 -6.299 1.00 0.00 N ATOM 458 CA ASP A 29 71.241 -17.597 -5.473 1.00 0.00 C ATOM 459 C ASP A 29 72.489 -17.183 -6.247 1.00 0.00 C ATOM 460 O ASP A 29 73.416 -16.600 -5.683 1.00 0.00 O ATOM 461 CB ASP A 29 71.377 -19.052 -5.026 1.00 0.00 C ATOM 462 CG ASP A 29 70.253 -19.406 -4.057 1.00 0.00 C ATOM 463 OD1 ASP A 29 69.579 -18.496 -3.605 1.00 0.00 O ATOM 464 OD2 ASP A 29 70.085 -20.583 -3.782 1.00 0.00 O ATOM 0 H ASP A 29 69.520 -18.299 -6.452 1.00 0.00 H new ATOM 0 HA ASP A 29 71.141 -16.955 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 29 71.343 -19.712 -5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 29 72.344 -19.205 -4.546 1.00 0.00 H new ATOM 469 N ASP A 30 72.507 -17.495 -7.538 1.00 0.00 N ATOM 470 CA ASP A 30 73.648 -17.159 -8.384 1.00 0.00 C ATOM 471 C ASP A 30 73.213 -16.254 -9.532 1.00 0.00 C ATOM 472 O ASP A 30 72.050 -15.861 -9.617 1.00 0.00 O ATOM 473 CB ASP A 30 74.272 -18.436 -8.948 1.00 0.00 C ATOM 474 CG ASP A 30 74.855 -19.276 -7.816 1.00 0.00 C ATOM 475 OD1 ASP A 30 75.039 -18.736 -6.738 1.00 0.00 O ATOM 476 OD2 ASP A 30 75.110 -20.447 -8.045 1.00 0.00 O ATOM 0 H ASP A 30 71.749 -17.978 -8.021 1.00 0.00 H new ATOM 0 HA ASP A 30 74.385 -16.631 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 30 73.519 -19.011 -9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.054 -18.183 -9.664 1.00 0.00 H new ATOM 481 N THR A 31 74.152 -15.927 -10.415 1.00 0.00 N ATOM 482 CA THR A 31 73.844 -15.068 -11.551 1.00 0.00 C ATOM 483 C THR A 31 74.300 -15.709 -12.856 1.00 0.00 C ATOM 484 O THR A 31 75.305 -16.418 -12.896 1.00 0.00 O ATOM 485 CB THR A 31 74.537 -13.715 -11.383 1.00 0.00 C ATOM 486 OG1 THR A 31 74.112 -12.838 -12.417 1.00 0.00 O ATOM 487 CG2 THR A 31 76.053 -13.902 -11.456 1.00 0.00 C ATOM 0 H THR A 31 75.122 -16.240 -10.366 1.00 0.00 H new ATOM 0 HA THR A 31 72.764 -14.927 -11.588 1.00 0.00 H new ATOM 0 HB THR A 31 74.275 -13.289 -10.415 1.00 0.00 H new ATOM 0 HG1 THR A 31 73.238 -13.128 -12.753 1.00 0.00 H new ATOM 0 HG21 THR A 31 76.545 -12.937 -11.336 1.00 0.00 H new ATOM 0 HG22 THR A 31 76.375 -14.575 -10.661 1.00 0.00 H new ATOM 0 HG23 THR A 31 76.321 -14.328 -12.423 1.00 0.00 H new ATOM 495 N VAL A 32 73.555 -15.443 -13.924 1.00 0.00 N ATOM 496 CA VAL A 32 73.894 -15.987 -15.233 1.00 0.00 C ATOM 497 C VAL A 32 73.603 -14.965 -16.326 1.00 0.00 C ATOM 498 O VAL A 32 72.719 -14.121 -16.176 1.00 0.00 O ATOM 499 CB VAL A 32 73.096 -17.269 -15.493 1.00 0.00 C ATOM 500 CG1 VAL A 32 73.419 -18.302 -14.412 1.00 0.00 C ATOM 501 CG2 VAL A 32 71.597 -16.957 -15.463 1.00 0.00 C ATOM 0 H VAL A 32 72.719 -14.859 -13.909 1.00 0.00 H new ATOM 0 HA VAL A 32 74.959 -16.220 -15.246 1.00 0.00 H new ATOM 0 HB VAL A 32 73.366 -17.668 -16.471 1.00 0.00 H new ATOM 0 HG11 VAL A 32 72.851 -19.213 -14.598 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.485 -18.529 -14.432 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.152 -17.901 -13.434 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.031 -17.870 -15.648 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.328 -16.556 -14.486 1.00 0.00 H new ATOM 0 HG23 VAL A 32 71.363 -16.223 -16.234 1.00 0.00 H new ATOM 511 N ILE A 33 74.342 -15.047 -17.427 1.00 0.00 N ATOM 512 CA ILE A 33 74.136 -14.123 -18.535 1.00 0.00 C ATOM 513 C ILE A 33 73.904 -14.883 -19.836 1.00 0.00 C ATOM 514 O ILE A 33 74.366 -16.012 -19.998 1.00 0.00 O ATOM 515 CB ILE A 33 75.346 -13.194 -18.677 1.00 0.00 C ATOM 516 CG1 ILE A 33 76.588 -14.008 -19.060 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.596 -12.479 -17.348 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.766 -13.059 -19.299 1.00 0.00 C ATOM 0 H ILE A 33 75.080 -15.735 -17.575 1.00 0.00 H new ATOM 0 HA ILE A 33 73.250 -13.524 -18.324 1.00 0.00 H new ATOM 0 HB ILE A 33 75.145 -12.460 -19.457 1.00 0.00 H new ATOM 0 HG12 ILE A 33 76.832 -14.715 -18.267 1.00 0.00 H new ATOM 0 HG13 ILE A 33 76.390 -14.593 -19.958 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.457 -11.817 -17.447 1.00 0.00 H new ATOM 0 HG22 ILE A 33 74.717 -11.893 -17.079 1.00 0.00 H new ATOM 0 HG23 ILE A 33 75.793 -13.216 -16.570 1.00 0.00 H new ATOM 0 HD11 ILE A 33 78.649 -13.637 -19.571 1.00 0.00 H new ATOM 0 HD12 ILE A 33 77.520 -12.370 -20.107 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.968 -12.494 -18.389 1.00 0.00 H new ATOM 530 N GLU A 34 73.189 -14.254 -20.764 1.00 0.00 N ATOM 531 CA GLU A 34 72.910 -14.881 -22.050 1.00 0.00 C ATOM 532 C GLU A 34 74.202 -15.075 -22.837 1.00 0.00 C ATOM 533 O GLU A 34 75.236 -14.497 -22.500 1.00 0.00 O ATOM 534 CB GLU A 34 71.922 -14.028 -22.854 1.00 0.00 C ATOM 535 CG GLU A 34 72.610 -12.752 -23.340 1.00 0.00 C ATOM 536 CD GLU A 34 71.592 -11.837 -24.010 1.00 0.00 C ATOM 537 OE1 GLU A 34 70.443 -12.237 -24.115 1.00 0.00 O ATOM 538 OE2 GLU A 34 71.974 -10.749 -24.409 1.00 0.00 O ATOM 0 H GLU A 34 72.796 -13.320 -20.651 1.00 0.00 H new ATOM 0 HA GLU A 34 72.462 -15.858 -21.870 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.547 -14.596 -23.705 1.00 0.00 H new ATOM 0 HB3 GLU A 34 71.061 -13.774 -22.236 1.00 0.00 H new ATOM 0 HG2 GLU A 34 73.077 -12.238 -22.500 1.00 0.00 H new ATOM 0 HG3 GLU A 34 73.405 -13.002 -24.042 1.00 0.00 H new ATOM 545 N GLU A 35 74.141 -15.898 -23.878 1.00 0.00 N ATOM 546 CA GLU A 35 75.322 -16.166 -24.692 1.00 0.00 C ATOM 547 C GLU A 35 75.693 -14.944 -25.528 1.00 0.00 C ATOM 548 O GLU A 35 74.842 -14.340 -26.179 1.00 0.00 O ATOM 549 CB GLU A 35 75.058 -17.357 -25.615 1.00 0.00 C ATOM 550 CG GLU A 35 76.348 -17.734 -26.346 1.00 0.00 C ATOM 551 CD GLU A 35 77.348 -18.326 -25.360 1.00 0.00 C ATOM 552 OE1 GLU A 35 76.912 -18.852 -24.350 1.00 0.00 O ATOM 553 OE2 GLU A 35 78.535 -18.242 -25.628 1.00 0.00 O ATOM 0 H GLU A 35 73.297 -16.387 -24.176 1.00 0.00 H new ATOM 0 HA GLU A 35 76.153 -16.397 -24.025 1.00 0.00 H new ATOM 0 HB2 GLU A 35 74.695 -18.206 -25.036 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.279 -17.106 -26.336 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.132 -18.454 -27.135 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.775 -16.854 -26.826 1.00 0.00 H new ATOM 560 N MET A 36 76.977 -14.601 -25.514 1.00 0.00 N ATOM 561 CA MET A 36 77.472 -13.464 -26.282 1.00 0.00 C ATOM 562 C MET A 36 78.925 -13.700 -26.676 1.00 0.00 C ATOM 563 O MET A 36 79.635 -14.464 -26.022 1.00 0.00 O ATOM 564 CB MET A 36 77.365 -12.179 -25.458 1.00 0.00 C ATOM 565 CG MET A 36 75.905 -11.940 -25.074 1.00 0.00 C ATOM 566 SD MET A 36 75.731 -10.294 -24.339 1.00 0.00 S ATOM 567 CE MET A 36 75.962 -9.334 -25.857 1.00 0.00 C ATOM 0 H MET A 36 77.693 -15.093 -24.980 1.00 0.00 H new ATOM 0 HA MET A 36 76.865 -13.358 -27.181 1.00 0.00 H new ATOM 0 HB2 MET A 36 77.980 -12.257 -24.561 1.00 0.00 H new ATOM 0 HB3 MET A 36 77.744 -11.334 -26.032 1.00 0.00 H new ATOM 0 HG2 MET A 36 75.268 -12.025 -25.955 1.00 0.00 H new ATOM 0 HG3 MET A 36 75.575 -12.701 -24.367 1.00 0.00 H new ATOM 0 HE1 MET A 36 75.244 -8.514 -25.882 1.00 0.00 H new ATOM 0 HE2 MET A 36 76.974 -8.931 -25.882 1.00 0.00 H new ATOM 0 HE3 MET A 36 75.806 -9.978 -26.722 1.00 0.00 H new ATOM 577 N SER A 37 79.368 -13.045 -27.743 1.00 0.00 N ATOM 578 CA SER A 37 80.744 -13.206 -28.196 1.00 0.00 C ATOM 579 C SER A 37 81.716 -12.744 -27.114 1.00 0.00 C ATOM 580 O SER A 37 81.639 -11.612 -26.639 1.00 0.00 O ATOM 581 CB SER A 37 80.971 -12.395 -29.472 1.00 0.00 C ATOM 582 OG SER A 37 82.321 -12.546 -29.891 1.00 0.00 O ATOM 0 H SER A 37 78.804 -12.406 -28.303 1.00 0.00 H new ATOM 0 HA SER A 37 80.921 -14.261 -28.403 1.00 0.00 H new ATOM 0 HB2 SER A 37 80.295 -12.734 -30.257 1.00 0.00 H new ATOM 0 HB3 SER A 37 80.750 -11.343 -29.292 1.00 0.00 H new ATOM 0 HG SER A 37 82.469 -12.029 -30.710 1.00 0.00 H new ATOM 588 N LEU A 38 82.629 -13.631 -26.732 1.00 0.00 N ATOM 589 CA LEU A 38 83.615 -13.308 -25.706 1.00 0.00 C ATOM 590 C LEU A 38 84.966 -13.935 -26.046 1.00 0.00 C ATOM 591 O LEU A 38 85.300 -15.010 -25.548 1.00 0.00 O ATOM 592 CB LEU A 38 83.141 -13.820 -24.344 1.00 0.00 C ATOM 593 CG LEU A 38 82.323 -12.732 -23.643 1.00 0.00 C ATOM 594 CD1 LEU A 38 81.349 -13.381 -22.658 1.00 0.00 C ATOM 595 CD2 LEU A 38 83.263 -11.793 -22.884 1.00 0.00 C ATOM 0 H LEU A 38 82.707 -14.573 -27.114 1.00 0.00 H new ATOM 0 HA LEU A 38 83.728 -12.225 -25.666 1.00 0.00 H new ATOM 0 HB2 LEU A 38 82.537 -14.718 -24.472 1.00 0.00 H new ATOM 0 HB3 LEU A 38 83.998 -14.097 -23.730 1.00 0.00 H new ATOM 0 HG LEU A 38 81.765 -12.164 -24.387 1.00 0.00 H new ATOM 0 HD11 LEU A 38 80.767 -12.607 -22.159 1.00 0.00 H new ATOM 0 HD12 LEU A 38 80.678 -14.049 -23.197 1.00 0.00 H new ATOM 0 HD13 LEU A 38 81.908 -13.950 -21.915 1.00 0.00 H new ATOM 0 HD21 LEU A 38 82.680 -11.019 -22.385 1.00 0.00 H new ATOM 0 HD22 LEU A 38 83.823 -12.361 -22.141 1.00 0.00 H new ATOM 0 HD23 LEU A 38 83.958 -11.329 -23.584 1.00 0.00 H new ATOM 607 N PRO A 39 85.740 -13.291 -26.880 1.00 0.00 N ATOM 608 CA PRO A 39 87.079 -13.800 -27.294 1.00 0.00 C ATOM 609 C PRO A 39 87.926 -14.239 -26.101 1.00 0.00 C ATOM 610 O PRO A 39 87.734 -13.761 -24.982 1.00 0.00 O ATOM 611 CB PRO A 39 87.718 -12.610 -28.011 1.00 0.00 C ATOM 612 CG PRO A 39 86.574 -11.788 -28.506 1.00 0.00 C ATOM 613 CD PRO A 39 85.422 -12.004 -27.523 1.00 0.00 C ATOM 0 HA PRO A 39 87.000 -14.687 -27.923 1.00 0.00 H new ATOM 0 HB2 PRO A 39 88.351 -12.036 -27.334 1.00 0.00 H new ATOM 0 HB3 PRO A 39 88.350 -12.941 -28.835 1.00 0.00 H new ATOM 0 HG2 PRO A 39 86.848 -10.734 -28.556 1.00 0.00 H new ATOM 0 HG3 PRO A 39 86.286 -12.091 -29.513 1.00 0.00 H new ATOM 0 HD2 PRO A 39 85.363 -11.197 -26.793 1.00 0.00 H new ATOM 0 HD3 PRO A 39 84.461 -12.041 -28.036 1.00 0.00 H new ATOM 621 N GLY A 40 88.861 -15.149 -26.351 1.00 0.00 N ATOM 622 CA GLY A 40 89.732 -15.646 -25.292 1.00 0.00 C ATOM 623 C GLY A 40 89.572 -17.151 -25.107 1.00 0.00 C ATOM 624 O GLY A 40 89.566 -17.908 -26.077 1.00 0.00 O ATOM 0 H GLY A 40 89.035 -15.555 -27.270 1.00 0.00 H new ATOM 0 HA2 GLY A 40 90.770 -15.415 -25.533 1.00 0.00 H new ATOM 0 HA3 GLY A 40 89.500 -15.135 -24.357 1.00 0.00 H new ATOM 628 N ARG A 41 89.448 -17.576 -23.853 1.00 0.00 N ATOM 629 CA ARG A 41 89.295 -18.993 -23.547 1.00 0.00 C ATOM 630 C ARG A 41 88.022 -19.244 -22.746 1.00 0.00 C ATOM 631 O ARG A 41 87.600 -18.407 -21.948 1.00 0.00 O ATOM 632 CB ARG A 41 90.504 -19.488 -22.752 1.00 0.00 C ATOM 633 CG ARG A 41 90.393 -20.998 -22.539 1.00 0.00 C ATOM 634 CD ARG A 41 91.578 -21.480 -21.697 1.00 0.00 C ATOM 635 NE ARG A 41 91.610 -22.946 -21.638 1.00 0.00 N ATOM 636 CZ ARG A 41 90.570 -23.674 -21.235 1.00 0.00 C ATOM 637 NH1 ARG A 41 89.525 -23.102 -20.703 1.00 0.00 N ATOM 638 NH2 ARG A 41 90.619 -24.975 -21.321 1.00 0.00 N ATOM 0 H ARG A 41 89.450 -16.963 -23.038 1.00 0.00 H new ATOM 0 HA ARG A 41 89.227 -19.538 -24.488 1.00 0.00 H new ATOM 0 HB2 ARG A 41 91.425 -19.252 -23.286 1.00 0.00 H new ATOM 0 HB3 ARG A 41 90.554 -18.977 -21.790 1.00 0.00 H new ATOM 0 HG2 ARG A 41 89.455 -21.238 -22.038 1.00 0.00 H new ATOM 0 HG3 ARG A 41 90.382 -21.512 -23.500 1.00 0.00 H new ATOM 0 HD2 ARG A 41 92.509 -21.108 -22.124 1.00 0.00 H new ATOM 0 HD3 ARG A 41 91.504 -21.072 -20.689 1.00 0.00 H new ATOM 0 HE ARG A 41 92.465 -23.428 -21.917 1.00 0.00 H new ATOM 0 HH11 ARG A 41 89.499 -22.088 -20.593 1.00 0.00 H new ATOM 0 HH12 ARG A 41 88.734 -23.668 -20.398 1.00 0.00 H new ATOM 0 HH21 ARG A 41 91.451 -25.430 -21.696 1.00 0.00 H new ATOM 0 HH22 ARG A 41 89.825 -25.537 -21.014 1.00 0.00 H new ATOM 652 N TRP A 42 87.417 -20.406 -22.968 1.00 0.00 N ATOM 653 CA TRP A 42 86.192 -20.772 -22.266 1.00 0.00 C ATOM 654 C TRP A 42 86.305 -22.188 -21.705 1.00 0.00 C ATOM 655 O TRP A 42 87.117 -22.985 -22.174 1.00 0.00 O ATOM 656 CB TRP A 42 85.002 -20.686 -23.223 1.00 0.00 C ATOM 657 CG TRP A 42 85.318 -21.436 -24.478 1.00 0.00 C ATOM 658 CD1 TRP A 42 85.825 -20.885 -25.603 1.00 0.00 C ATOM 659 CD2 TRP A 42 85.163 -22.858 -24.753 1.00 0.00 C ATOM 660 NE1 TRP A 42 85.987 -21.876 -26.554 1.00 0.00 N ATOM 661 CE2 TRP A 42 85.593 -23.110 -26.078 1.00 0.00 C ATOM 662 CE3 TRP A 42 84.694 -23.943 -23.992 1.00 0.00 C ATOM 663 CZ2 TRP A 42 85.560 -24.392 -26.627 1.00 0.00 C ATOM 664 CZ3 TRP A 42 84.659 -25.234 -24.542 1.00 0.00 C ATOM 665 CH2 TRP A 42 85.092 -25.458 -25.856 1.00 0.00 C ATOM 0 H TRP A 42 87.754 -21.109 -23.626 1.00 0.00 H new ATOM 0 HA TRP A 42 86.040 -20.079 -21.439 1.00 0.00 H new ATOM 0 HB2 TRP A 42 84.112 -21.102 -22.752 1.00 0.00 H new ATOM 0 HB3 TRP A 42 84.782 -19.644 -23.455 1.00 0.00 H new ATOM 0 HD1 TRP A 42 86.065 -19.841 -25.738 1.00 0.00 H new ATOM 0 HE1 TRP A 42 86.353 -21.715 -27.492 1.00 0.00 H new ATOM 0 HE3 TRP A 42 84.359 -23.782 -22.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 85.894 -24.559 -27.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 84.296 -26.060 -23.949 1.00 0.00 H new ATOM 0 HH2 TRP A 42 85.064 -26.454 -26.272 1.00 0.00 H new ATOM 676 N LYS A 43 85.493 -22.491 -20.696 1.00 0.00 N ATOM 677 CA LYS A 43 85.523 -23.813 -20.078 1.00 0.00 C ATOM 678 C LYS A 43 84.199 -24.553 -20.314 1.00 0.00 C ATOM 679 O LYS A 43 83.129 -23.986 -20.088 1.00 0.00 O ATOM 680 CB LYS A 43 85.755 -23.671 -18.571 1.00 0.00 C ATOM 681 CG LYS A 43 87.254 -23.732 -18.269 1.00 0.00 C ATOM 682 CD LYS A 43 87.485 -23.462 -16.781 1.00 0.00 C ATOM 683 CE LYS A 43 88.972 -23.615 -16.453 1.00 0.00 C ATOM 684 NZ LYS A 43 89.429 -24.981 -16.835 1.00 0.00 N ATOM 0 H LYS A 43 84.813 -21.847 -20.292 1.00 0.00 H new ATOM 0 HA LYS A 43 86.334 -24.385 -20.529 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.342 -22.726 -18.218 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.235 -24.466 -18.037 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.651 -24.711 -18.538 1.00 0.00 H new ATOM 0 HG3 LYS A 43 87.787 -22.996 -18.870 1.00 0.00 H new ATOM 0 HD2 LYS A 43 87.149 -22.457 -16.528 1.00 0.00 H new ATOM 0 HD3 LYS A 43 86.897 -24.156 -16.180 1.00 0.00 H new ATOM 0 HE2 LYS A 43 89.552 -22.863 -16.988 1.00 0.00 H new ATOM 0 HE3 LYS A 43 89.139 -23.449 -15.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 90.306 -25.209 -16.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 88.694 -25.675 -16.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 89.606 -25.014 -17.859 1.00 0.00 H new ATOM 698 N PRO A 44 84.233 -25.795 -20.752 1.00 0.00 N ATOM 699 CA PRO A 44 82.985 -26.579 -20.997 1.00 0.00 C ATOM 700 C PRO A 44 82.265 -26.922 -19.696 1.00 0.00 C ATOM 701 O PRO A 44 82.861 -27.475 -18.773 1.00 0.00 O ATOM 702 CB PRO A 44 83.469 -27.851 -21.698 1.00 0.00 C ATOM 703 CG PRO A 44 84.910 -27.990 -21.338 1.00 0.00 C ATOM 704 CD PRO A 44 85.440 -26.584 -21.056 1.00 0.00 C ATOM 0 HA PRO A 44 82.264 -26.016 -21.590 1.00 0.00 H new ATOM 0 HB2 PRO A 44 82.898 -28.720 -21.370 1.00 0.00 H new ATOM 0 HB3 PRO A 44 83.341 -27.775 -22.778 1.00 0.00 H new ATOM 0 HG2 PRO A 44 85.029 -28.629 -20.463 1.00 0.00 H new ATOM 0 HG3 PRO A 44 85.467 -28.456 -22.151 1.00 0.00 H new ATOM 0 HD2 PRO A 44 86.138 -26.582 -20.219 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.973 -26.180 -21.916 1.00 0.00 H new ATOM 712 N LYS A 45 80.980 -26.591 -19.629 1.00 0.00 N ATOM 713 CA LYS A 45 80.191 -26.871 -18.434 1.00 0.00 C ATOM 714 C LYS A 45 78.814 -27.402 -18.816 1.00 0.00 C ATOM 715 O LYS A 45 78.218 -26.959 -19.796 1.00 0.00 O ATOM 716 CB LYS A 45 80.034 -25.594 -17.599 1.00 0.00 C ATOM 717 CG LYS A 45 79.326 -25.910 -16.274 1.00 0.00 C ATOM 718 CD LYS A 45 80.335 -26.449 -15.258 1.00 0.00 C ATOM 719 CE LYS A 45 79.641 -26.642 -13.909 1.00 0.00 C ATOM 720 NZ LYS A 45 80.349 -27.699 -13.134 1.00 0.00 N ATOM 0 H LYS A 45 80.466 -26.132 -20.381 1.00 0.00 H new ATOM 0 HA LYS A 45 80.711 -27.628 -17.846 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.013 -25.157 -17.401 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.462 -24.854 -18.158 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.849 -25.011 -15.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 78.537 -26.643 -16.440 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.748 -27.396 -15.606 1.00 0.00 H new ATOM 0 HD3 LYS A 45 81.170 -25.756 -15.154 1.00 0.00 H new ATOM 0 HE2 LYS A 45 79.640 -25.706 -13.351 1.00 0.00 H new ATOM 0 HE3 LYS A 45 78.599 -26.924 -14.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 79.878 -27.831 -12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 80.328 -28.592 -13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 81.336 -27.412 -12.978 1.00 0.00 H new ATOM 734 N MET A 46 78.308 -28.340 -18.023 1.00 0.00 N ATOM 735 CA MET A 46 76.991 -28.908 -18.272 1.00 0.00 C ATOM 736 C MET A 46 76.101 -28.687 -17.053 1.00 0.00 C ATOM 737 O MET A 46 76.559 -28.799 -15.916 1.00 0.00 O ATOM 738 CB MET A 46 77.110 -30.406 -18.564 1.00 0.00 C ATOM 739 CG MET A 46 77.941 -30.615 -19.831 1.00 0.00 C ATOM 740 SD MET A 46 77.989 -32.378 -20.236 1.00 0.00 S ATOM 741 CE MET A 46 79.160 -32.264 -21.610 1.00 0.00 C ATOM 0 H MET A 46 78.788 -28.721 -17.207 1.00 0.00 H new ATOM 0 HA MET A 46 76.548 -28.415 -19.138 1.00 0.00 H new ATOM 0 HB2 MET A 46 77.578 -30.915 -17.722 1.00 0.00 H new ATOM 0 HB3 MET A 46 76.119 -30.842 -18.690 1.00 0.00 H new ATOM 0 HG2 MET A 46 77.510 -30.052 -20.659 1.00 0.00 H new ATOM 0 HG3 MET A 46 78.953 -30.237 -19.682 1.00 0.00 H new ATOM 0 HE1 MET A 46 78.979 -33.079 -22.311 1.00 0.00 H new ATOM 0 HE2 MET A 46 79.030 -31.310 -22.121 1.00 0.00 H new ATOM 0 HE3 MET A 46 80.178 -32.335 -21.227 1.00 0.00 H new ATOM 751 N ILE A 47 74.832 -28.379 -17.289 1.00 0.00 N ATOM 752 CA ILE A 47 73.897 -28.154 -16.189 1.00 0.00 C ATOM 753 C ILE A 47 72.550 -28.800 -16.495 1.00 0.00 C ATOM 754 O ILE A 47 72.285 -29.185 -17.635 1.00 0.00 O ATOM 755 CB ILE A 47 73.725 -26.654 -15.942 1.00 0.00 C ATOM 756 CG1 ILE A 47 73.064 -25.996 -17.157 1.00 0.00 C ATOM 757 CG2 ILE A 47 75.097 -26.018 -15.708 1.00 0.00 C ATOM 758 CD1 ILE A 47 72.841 -24.510 -16.870 1.00 0.00 C ATOM 0 H ILE A 47 74.428 -28.280 -18.220 1.00 0.00 H new ATOM 0 HA ILE A 47 74.302 -28.613 -15.287 1.00 0.00 H new ATOM 0 HB ILE A 47 73.094 -26.506 -15.066 1.00 0.00 H new ATOM 0 HG12 ILE A 47 73.694 -26.117 -18.038 1.00 0.00 H new ATOM 0 HG13 ILE A 47 72.113 -26.482 -17.376 1.00 0.00 H new ATOM 0 HG21 ILE A 47 74.977 -24.949 -15.532 1.00 0.00 H new ATOM 0 HG22 ILE A 47 75.568 -26.478 -14.840 1.00 0.00 H new ATOM 0 HG23 ILE A 47 75.724 -26.173 -16.586 1.00 0.00 H new ATOM 0 HD11 ILE A 47 72.371 -24.039 -17.733 1.00 0.00 H new ATOM 0 HD12 ILE A 47 72.194 -24.401 -16.000 1.00 0.00 H new ATOM 0 HD13 ILE A 47 73.799 -24.030 -16.672 1.00 0.00 H new ATOM 770 N GLY A 48 71.700 -28.919 -15.479 1.00 0.00 N ATOM 771 CA GLY A 48 70.389 -29.524 -15.681 1.00 0.00 C ATOM 772 C GLY A 48 69.356 -29.002 -14.687 1.00 0.00 C ATOM 773 O GLY A 48 68.400 -29.702 -14.354 1.00 0.00 O ATOM 0 H GLY A 48 71.890 -28.611 -14.525 1.00 0.00 H new ATOM 0 HA2 GLY A 48 70.049 -29.321 -16.697 1.00 0.00 H new ATOM 0 HA3 GLY A 48 70.471 -30.606 -15.583 1.00 0.00 H new ATOM 777 N GLY A 49 69.546 -27.775 -14.216 1.00 0.00 N ATOM 778 CA GLY A 49 68.610 -27.190 -13.261 1.00 0.00 C ATOM 779 C GLY A 49 67.190 -27.165 -13.823 1.00 0.00 C ATOM 780 O GLY A 49 66.227 -27.458 -13.112 1.00 0.00 O ATOM 0 H GLY A 49 70.327 -27.173 -14.474 1.00 0.00 H new ATOM 0 HA2 GLY A 49 68.627 -27.763 -12.334 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.924 -26.176 -13.015 1.00 0.00 H new ATOM 784 N ILE A 50 67.065 -26.815 -15.101 1.00 0.00 N ATOM 785 CA ILE A 50 65.753 -26.755 -15.746 1.00 0.00 C ATOM 786 C ILE A 50 65.124 -28.144 -15.834 1.00 0.00 C ATOM 787 O ILE A 50 63.922 -28.308 -15.621 1.00 0.00 O ATOM 788 CB ILE A 50 65.891 -26.173 -17.157 1.00 0.00 C ATOM 789 CG1 ILE A 50 66.583 -24.806 -17.095 1.00 0.00 C ATOM 790 CG2 ILE A 50 64.503 -26.013 -17.783 1.00 0.00 C ATOM 791 CD1 ILE A 50 65.861 -23.900 -16.096 1.00 0.00 C ATOM 0 H ILE A 50 67.848 -26.570 -15.707 1.00 0.00 H new ATOM 0 HA ILE A 50 65.108 -26.115 -15.143 1.00 0.00 H new ATOM 0 HB ILE A 50 66.491 -26.851 -17.764 1.00 0.00 H new ATOM 0 HG12 ILE A 50 67.625 -24.930 -16.800 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.584 -24.344 -18.082 1.00 0.00 H new ATOM 0 HG21 ILE A 50 64.602 -25.599 -18.786 1.00 0.00 H new ATOM 0 HG22 ILE A 50 64.014 -26.986 -17.838 1.00 0.00 H new ATOM 0 HG23 ILE A 50 63.903 -25.340 -17.170 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.359 -22.931 -16.058 1.00 0.00 H new ATOM 0 HD12 ILE A 50 64.826 -23.764 -16.410 1.00 0.00 H new ATOM 0 HD13 ILE A 50 65.883 -24.358 -15.107 1.00 0.00 H new ATOM 803 N GLY A 51 65.943 -29.137 -16.157 1.00 0.00 N ATOM 804 CA GLY A 51 65.462 -30.509 -16.281 1.00 0.00 C ATOM 805 C GLY A 51 66.383 -31.311 -17.192 1.00 0.00 C ATOM 806 O GLY A 51 67.037 -32.258 -16.753 1.00 0.00 O ATOM 0 H GLY A 51 66.940 -29.020 -16.337 1.00 0.00 H new ATOM 0 HA2 GLY A 51 65.416 -30.976 -15.297 1.00 0.00 H new ATOM 0 HA3 GLY A 51 64.449 -30.512 -16.683 1.00 0.00 H new ATOM 810 N GLY A 52 66.446 -30.913 -18.459 1.00 0.00 N ATOM 811 CA GLY A 52 67.310 -31.590 -19.417 1.00 0.00 C ATOM 812 C GLY A 52 68.747 -31.125 -19.225 1.00 0.00 C ATOM 813 O GLY A 52 69.003 -30.236 -18.419 1.00 0.00 O ATOM 0 H GLY A 52 65.914 -30.132 -18.843 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.245 -32.670 -19.281 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.981 -31.376 -20.434 1.00 0.00 H new ATOM 817 N PHE A 53 69.681 -31.719 -19.956 1.00 0.00 N ATOM 818 CA PHE A 53 71.082 -31.332 -19.823 1.00 0.00 C ATOM 819 C PHE A 53 71.571 -30.595 -21.067 1.00 0.00 C ATOM 820 O PHE A 53 71.442 -31.094 -22.185 1.00 0.00 O ATOM 821 CB PHE A 53 71.943 -32.575 -19.592 1.00 0.00 C ATOM 822 CG PHE A 53 71.555 -33.219 -18.281 1.00 0.00 C ATOM 823 CD1 PHE A 53 72.147 -32.785 -17.088 1.00 0.00 C ATOM 824 CD2 PHE A 53 70.609 -34.250 -18.259 1.00 0.00 C ATOM 825 CE1 PHE A 53 71.788 -33.381 -15.873 1.00 0.00 C ATOM 826 CE2 PHE A 53 70.250 -34.845 -17.043 1.00 0.00 C ATOM 827 CZ PHE A 53 70.841 -34.411 -15.850 1.00 0.00 C ATOM 0 H PHE A 53 69.501 -32.458 -20.636 1.00 0.00 H new ATOM 0 HA PHE A 53 71.169 -30.660 -18.970 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.808 -33.282 -20.411 1.00 0.00 H new ATOM 0 HB3 PHE A 53 72.998 -32.302 -19.577 1.00 0.00 H new ATOM 0 HD1 PHE A 53 72.880 -31.992 -17.105 1.00 0.00 H new ATOM 0 HD2 PHE A 53 70.156 -34.587 -19.180 1.00 0.00 H new ATOM 0 HE1 PHE A 53 72.242 -33.045 -14.953 1.00 0.00 H new ATOM 0 HE2 PHE A 53 69.517 -35.638 -17.025 1.00 0.00 H new ATOM 0 HZ PHE A 53 70.566 -34.871 -14.912 1.00 0.00 H new ATOM 837 N ILE A 54 72.146 -29.410 -20.865 1.00 0.00 N ATOM 838 CA ILE A 54 72.664 -28.627 -21.982 1.00 0.00 C ATOM 839 C ILE A 54 74.116 -28.227 -21.730 1.00 0.00 C ATOM 840 O ILE A 54 74.560 -28.151 -20.581 1.00 0.00 O ATOM 841 CB ILE A 54 71.807 -27.374 -22.208 1.00 0.00 C ATOM 842 CG1 ILE A 54 71.837 -26.473 -20.956 1.00 0.00 C ATOM 843 CG2 ILE A 54 70.369 -27.792 -22.530 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.530 -26.603 -20.167 1.00 0.00 C ATOM 0 H ILE A 54 72.263 -28.977 -19.949 1.00 0.00 H new ATOM 0 HA ILE A 54 72.621 -29.247 -22.878 1.00 0.00 H new ATOM 0 HB ILE A 54 72.212 -26.808 -23.047 1.00 0.00 H new ATOM 0 HG12 ILE A 54 72.680 -26.750 -20.322 1.00 0.00 H new ATOM 0 HG13 ILE A 54 71.988 -25.435 -21.252 1.00 0.00 H new ATOM 0 HG21 ILE A 54 69.759 -26.903 -22.691 1.00 0.00 H new ATOM 0 HG22 ILE A 54 70.361 -28.405 -23.431 1.00 0.00 H new ATOM 0 HG23 ILE A 54 69.962 -28.366 -21.697 1.00 0.00 H new ATOM 0 HD11 ILE A 54 70.570 -25.960 -19.288 1.00 0.00 H new ATOM 0 HD12 ILE A 54 69.693 -26.303 -20.798 1.00 0.00 H new ATOM 0 HD13 ILE A 54 70.396 -27.638 -19.854 1.00 0.00 H new ATOM 856 N LYS A 55 74.850 -27.977 -22.810 1.00 0.00 N ATOM 857 CA LYS A 55 76.253 -27.592 -22.697 1.00 0.00 C ATOM 858 C LYS A 55 76.390 -26.078 -22.555 1.00 0.00 C ATOM 859 O LYS A 55 76.069 -25.326 -23.476 1.00 0.00 O ATOM 860 CB LYS A 55 77.019 -28.053 -23.938 1.00 0.00 C ATOM 861 CG LYS A 55 76.972 -29.579 -24.030 1.00 0.00 C ATOM 862 CD LYS A 55 77.813 -30.044 -25.222 1.00 0.00 C ATOM 863 CE LYS A 55 77.665 -31.559 -25.390 1.00 0.00 C ATOM 864 NZ LYS A 55 76.977 -31.854 -26.679 1.00 0.00 N ATOM 0 H LYS A 55 74.500 -28.033 -23.766 1.00 0.00 H new ATOM 0 HA LYS A 55 76.667 -28.068 -21.808 1.00 0.00 H new ATOM 0 HB2 LYS A 55 76.582 -27.611 -24.833 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.053 -27.713 -23.887 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.351 -30.021 -23.109 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.942 -29.916 -24.145 1.00 0.00 H new ATOM 0 HD2 LYS A 55 77.491 -29.533 -26.130 1.00 0.00 H new ATOM 0 HD3 LYS A 55 78.860 -29.785 -25.065 1.00 0.00 H new ATOM 0 HE2 LYS A 55 78.646 -32.035 -25.372 1.00 0.00 H new ATOM 0 HE3 LYS A 55 77.095 -31.973 -24.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 76.877 -32.883 -26.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 76.035 -31.413 -26.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 77.538 -31.472 -27.467 1.00 0.00 H new ATOM 878 N VAL A 56 76.865 -25.637 -21.394 1.00 0.00 N ATOM 879 CA VAL A 56 77.041 -24.212 -21.131 1.00 0.00 C ATOM 880 C VAL A 56 78.522 -23.887 -20.955 1.00 0.00 C ATOM 881 O VAL A 56 79.288 -24.710 -20.454 1.00 0.00 O ATOM 882 CB VAL A 56 76.279 -23.820 -19.866 1.00 0.00 C ATOM 883 CG1 VAL A 56 76.391 -22.312 -19.651 1.00 0.00 C ATOM 884 CG2 VAL A 56 74.806 -24.205 -20.020 1.00 0.00 C ATOM 0 H VAL A 56 77.135 -26.245 -20.621 1.00 0.00 H new ATOM 0 HA VAL A 56 76.651 -23.649 -21.979 1.00 0.00 H new ATOM 0 HB VAL A 56 76.704 -24.342 -19.008 1.00 0.00 H new ATOM 0 HG11 VAL A 56 75.848 -22.032 -18.749 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.440 -22.037 -19.543 1.00 0.00 H new ATOM 0 HG13 VAL A 56 75.965 -21.790 -20.508 1.00 0.00 H new ATOM 0 HG21 VAL A 56 74.261 -23.926 -19.118 1.00 0.00 H new ATOM 0 HG22 VAL A 56 74.381 -23.683 -20.877 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.725 -25.281 -20.174 1.00 0.00 H new ATOM 894 N ARG A 57 78.925 -22.689 -21.372 1.00 0.00 N ATOM 895 CA ARG A 57 80.324 -22.291 -21.248 1.00 0.00 C ATOM 896 C ARG A 57 80.494 -21.262 -20.134 1.00 0.00 C ATOM 897 O ARG A 57 79.709 -20.321 -20.017 1.00 0.00 O ATOM 898 CB ARG A 57 80.822 -21.703 -22.571 1.00 0.00 C ATOM 899 CG ARG A 57 80.815 -22.792 -23.654 1.00 0.00 C ATOM 900 CD ARG A 57 79.398 -22.983 -24.220 1.00 0.00 C ATOM 901 NE ARG A 57 79.370 -22.774 -25.675 1.00 0.00 N ATOM 902 CZ ARG A 57 79.930 -21.715 -26.260 1.00 0.00 C ATOM 903 NH1 ARG A 57 80.479 -20.774 -25.543 1.00 0.00 N ATOM 904 NH2 ARG A 57 79.912 -21.609 -27.562 1.00 0.00 N ATOM 0 H ARG A 57 78.314 -21.988 -21.792 1.00 0.00 H new ATOM 0 HA ARG A 57 80.911 -23.176 -21.001 1.00 0.00 H new ATOM 0 HB2 ARG A 57 80.186 -20.871 -22.873 1.00 0.00 H new ATOM 0 HB3 ARG A 57 81.829 -21.305 -22.448 1.00 0.00 H new ATOM 0 HG2 ARG A 57 81.499 -22.518 -24.457 1.00 0.00 H new ATOM 0 HG3 ARG A 57 81.175 -23.732 -23.235 1.00 0.00 H new ATOM 0 HD2 ARG A 57 79.044 -23.988 -23.988 1.00 0.00 H new ATOM 0 HD3 ARG A 57 78.714 -22.285 -23.737 1.00 0.00 H new ATOM 0 HE ARG A 57 78.903 -23.467 -26.260 1.00 0.00 H new ATOM 0 HH11 ARG A 57 80.482 -20.844 -24.525 1.00 0.00 H new ATOM 0 HH12 ARG A 57 80.905 -19.968 -26.000 1.00 0.00 H new ATOM 0 HH21 ARG A 57 79.471 -22.335 -28.127 1.00 0.00 H new ATOM 0 HH22 ARG A 57 80.339 -20.800 -28.014 1.00 0.00 H new ATOM 918 N GLN A 58 81.527 -21.451 -19.315 1.00 0.00 N ATOM 919 CA GLN A 58 81.789 -20.533 -18.211 1.00 0.00 C ATOM 920 C GLN A 58 83.076 -19.752 -18.444 1.00 0.00 C ATOM 921 O GLN A 58 84.084 -20.315 -18.870 1.00 0.00 O ATOM 922 CB GLN A 58 81.920 -21.312 -16.899 1.00 0.00 C ATOM 923 CG GLN A 58 80.617 -22.048 -16.592 1.00 0.00 C ATOM 924 CD GLN A 58 80.705 -22.693 -15.211 1.00 0.00 C ATOM 925 OE1 GLN A 58 79.730 -23.264 -14.725 1.00 0.00 O ATOM 926 NE2 GLN A 58 81.826 -22.637 -14.545 1.00 0.00 N ATOM 0 H GLN A 58 82.189 -22.223 -19.394 1.00 0.00 H new ATOM 0 HA GLN A 58 80.952 -19.837 -18.152 1.00 0.00 H new ATOM 0 HB2 GLN A 58 82.741 -22.025 -16.971 1.00 0.00 H new ATOM 0 HB3 GLN A 58 82.162 -20.629 -16.084 1.00 0.00 H new ATOM 0 HG2 GLN A 58 79.778 -21.353 -16.627 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.431 -22.810 -17.349 1.00 0.00 H new ATOM 0 HE21 GLN A 58 82.635 -22.164 -14.947 1.00 0.00 H new ATOM 0 HE22 GLN A 58 81.893 -23.067 -13.622 1.00 0.00 H new ATOM 935 N TYR A 59 83.041 -18.457 -18.149 1.00 0.00 N ATOM 936 CA TYR A 59 84.223 -17.620 -18.318 1.00 0.00 C ATOM 937 C TYR A 59 84.635 -17.046 -16.966 1.00 0.00 C ATOM 938 O TYR A 59 83.801 -16.518 -16.230 1.00 0.00 O ATOM 939 CB TYR A 59 83.924 -16.490 -19.303 1.00 0.00 C ATOM 940 CG TYR A 59 85.206 -16.048 -19.970 1.00 0.00 C ATOM 941 CD1 TYR A 59 86.234 -15.475 -19.212 1.00 0.00 C ATOM 942 CD2 TYR A 59 85.365 -16.214 -21.350 1.00 0.00 C ATOM 943 CE1 TYR A 59 87.420 -15.068 -19.834 1.00 0.00 C ATOM 944 CE2 TYR A 59 86.551 -15.808 -21.973 1.00 0.00 C ATOM 945 CZ TYR A 59 87.579 -15.234 -21.216 1.00 0.00 C ATOM 946 OH TYR A 59 88.748 -14.834 -21.829 1.00 0.00 O ATOM 0 H TYR A 59 82.218 -17.969 -17.796 1.00 0.00 H new ATOM 0 HA TYR A 59 85.041 -18.221 -18.715 1.00 0.00 H new ATOM 0 HB2 TYR A 59 83.209 -16.828 -20.053 1.00 0.00 H new ATOM 0 HB3 TYR A 59 83.465 -15.650 -18.781 1.00 0.00 H new ATOM 0 HD1 TYR A 59 86.112 -15.347 -18.147 1.00 0.00 H new ATOM 0 HD2 TYR A 59 84.572 -16.656 -21.935 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.213 -14.626 -19.249 1.00 0.00 H new ATOM 0 HE2 TYR A 59 86.673 -15.938 -23.038 1.00 0.00 H new ATOM 0 HH TYR A 59 89.493 -14.914 -21.197 1.00 0.00 H new ATOM 956 N ASP A 60 85.915 -17.175 -16.629 1.00 0.00 N ATOM 957 CA ASP A 60 86.400 -16.686 -15.341 1.00 0.00 C ATOM 958 C ASP A 60 87.393 -15.538 -15.497 1.00 0.00 C ATOM 959 O ASP A 60 87.835 -15.221 -16.601 1.00 0.00 O ATOM 960 CB ASP A 60 87.073 -17.827 -14.576 1.00 0.00 C ATOM 961 CG ASP A 60 86.049 -18.905 -14.242 1.00 0.00 C ATOM 962 OD1 ASP A 60 84.871 -18.650 -14.424 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.459 -19.971 -13.814 1.00 0.00 O ATOM 0 H ASP A 60 86.626 -17.607 -17.219 1.00 0.00 H new ATOM 0 HA ASP A 60 85.537 -16.312 -14.790 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.879 -18.252 -15.175 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.524 -17.446 -13.660 1.00 0.00 H new ATOM 968 N GLN A 61 87.735 -14.932 -14.360 1.00 0.00 N ATOM 969 CA GLN A 61 88.681 -13.820 -14.312 1.00 0.00 C ATOM 970 C GLN A 61 88.136 -12.586 -15.030 1.00 0.00 C ATOM 971 O GLN A 61 88.878 -11.871 -15.703 1.00 0.00 O ATOM 972 CB GLN A 61 90.014 -14.237 -14.938 1.00 0.00 C ATOM 973 CG GLN A 61 90.548 -15.475 -14.212 1.00 0.00 C ATOM 974 CD GLN A 61 91.927 -15.842 -14.747 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.927 -15.241 -14.354 1.00 0.00 O ATOM 976 NE2 GLN A 61 92.043 -16.799 -15.627 1.00 0.00 N ATOM 0 H GLN A 61 87.364 -15.199 -13.448 1.00 0.00 H new ATOM 0 HA GLN A 61 88.834 -13.560 -13.265 1.00 0.00 H new ATOM 0 HB2 GLN A 61 89.880 -14.452 -15.998 1.00 0.00 H new ATOM 0 HB3 GLN A 61 90.733 -13.421 -14.867 1.00 0.00 H new ATOM 0 HG2 GLN A 61 90.605 -15.282 -13.141 1.00 0.00 H new ATOM 0 HG3 GLN A 61 89.862 -16.311 -14.349 1.00 0.00 H new ATOM 0 HE21 GLN A 61 91.214 -17.296 -15.952 1.00 0.00 H new ATOM 0 HE22 GLN A 61 92.963 -17.050 -15.990 1.00 0.00 H new ATOM 985 N ILE A 62 86.839 -12.334 -14.870 1.00 0.00 N ATOM 986 CA ILE A 62 86.211 -11.174 -15.497 1.00 0.00 C ATOM 987 C ILE A 62 85.765 -10.174 -14.439 1.00 0.00 C ATOM 988 O ILE A 62 85.337 -10.556 -13.348 1.00 0.00 O ATOM 989 CB ILE A 62 84.997 -11.599 -16.323 1.00 0.00 C ATOM 990 CG1 ILE A 62 85.431 -12.574 -17.416 1.00 0.00 C ATOM 991 CG2 ILE A 62 84.364 -10.362 -16.965 1.00 0.00 C ATOM 992 CD1 ILE A 62 84.192 -13.116 -18.132 1.00 0.00 C ATOM 0 H ILE A 62 86.207 -12.912 -14.316 1.00 0.00 H new ATOM 0 HA ILE A 62 86.948 -10.708 -16.152 1.00 0.00 H new ATOM 0 HB ILE A 62 84.271 -12.088 -15.674 1.00 0.00 H new ATOM 0 HG12 ILE A 62 86.086 -12.072 -18.128 1.00 0.00 H new ATOM 0 HG13 ILE A 62 86.002 -13.395 -16.981 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.498 -10.661 -17.555 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.050 -9.668 -16.185 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.093 -9.875 -17.612 1.00 0.00 H new ATOM 0 HD11 ILE A 62 84.498 -13.812 -18.913 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.554 -13.633 -17.415 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.640 -12.290 -18.579 1.00 0.00 H new ATOM 1004 N ILE A 63 85.862 -8.890 -14.770 1.00 0.00 N ATOM 1005 CA ILE A 63 85.461 -7.846 -13.847 1.00 0.00 C ATOM 1006 C ILE A 63 84.155 -7.208 -14.307 1.00 0.00 C ATOM 1007 O ILE A 63 83.940 -6.991 -15.500 1.00 0.00 O ATOM 1008 CB ILE A 63 86.560 -6.789 -13.754 1.00 0.00 C ATOM 1009 CG1 ILE A 63 86.830 -6.195 -15.140 1.00 0.00 C ATOM 1010 CG2 ILE A 63 87.841 -7.430 -13.217 1.00 0.00 C ATOM 1011 CD1 ILE A 63 87.784 -5.008 -15.008 1.00 0.00 C ATOM 0 H ILE A 63 86.213 -8.554 -15.667 1.00 0.00 H new ATOM 0 HA ILE A 63 85.305 -8.285 -12.861 1.00 0.00 H new ATOM 0 HB ILE A 63 86.237 -5.996 -13.080 1.00 0.00 H new ATOM 0 HG12 ILE A 63 87.263 -6.952 -15.794 1.00 0.00 H new ATOM 0 HG13 ILE A 63 85.895 -5.874 -15.599 1.00 0.00 H new ATOM 0 HG21 ILE A 63 88.625 -6.676 -13.151 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.653 -7.846 -12.227 1.00 0.00 H new ATOM 0 HG23 ILE A 63 88.159 -8.226 -13.890 1.00 0.00 H new ATOM 0 HD11 ILE A 63 87.977 -4.585 -15.994 1.00 0.00 H new ATOM 0 HD12 ILE A 63 87.334 -4.249 -14.369 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.723 -5.343 -14.567 1.00 0.00 H new ATOM 1023 N ILE A 64 83.280 -6.923 -13.352 1.00 0.00 N ATOM 1024 CA ILE A 64 81.992 -6.321 -13.664 1.00 0.00 C ATOM 1025 C ILE A 64 81.828 -4.996 -12.933 1.00 0.00 C ATOM 1026 O ILE A 64 82.199 -4.873 -11.765 1.00 0.00 O ATOM 1027 CB ILE A 64 80.863 -7.269 -13.268 1.00 0.00 C ATOM 1028 CG1 ILE A 64 81.046 -8.606 -13.991 1.00 0.00 C ATOM 1029 CG2 ILE A 64 79.519 -6.656 -13.663 1.00 0.00 C ATOM 1030 CD1 ILE A 64 79.996 -9.603 -13.497 1.00 0.00 C ATOM 0 H ILE A 64 83.438 -7.098 -12.360 1.00 0.00 H new ATOM 0 HA ILE A 64 81.950 -6.136 -14.737 1.00 0.00 H new ATOM 0 HB ILE A 64 80.885 -7.431 -12.190 1.00 0.00 H new ATOM 0 HG12 ILE A 64 80.950 -8.465 -15.068 1.00 0.00 H new ATOM 0 HG13 ILE A 64 82.047 -8.996 -13.808 1.00 0.00 H new ATOM 0 HG21 ILE A 64 78.713 -7.333 -13.380 1.00 0.00 H new ATOM 0 HG22 ILE A 64 79.389 -5.703 -13.150 1.00 0.00 H new ATOM 0 HG23 ILE A 64 79.496 -6.494 -14.741 1.00 0.00 H new ATOM 0 HD11 ILE A 64 80.127 -10.555 -14.012 1.00 0.00 H new ATOM 0 HD12 ILE A 64 80.113 -9.752 -12.424 1.00 0.00 H new ATOM 0 HD13 ILE A 64 78.999 -9.213 -13.703 1.00 0.00 H new ATOM 1042 N GLU A 65 81.261 -4.013 -13.619 1.00 0.00 N ATOM 1043 CA GLU A 65 81.044 -2.708 -13.012 1.00 0.00 C ATOM 1044 C GLU A 65 79.552 -2.427 -12.889 1.00 0.00 C ATOM 1045 O GLU A 65 78.801 -2.544 -13.861 1.00 0.00 O ATOM 1046 CB GLU A 65 81.721 -1.625 -13.850 1.00 0.00 C ATOM 1047 CG GLU A 65 83.228 -1.887 -13.894 1.00 0.00 C ATOM 1048 CD GLU A 65 83.930 -0.779 -14.672 1.00 0.00 C ATOM 1049 OE1 GLU A 65 83.241 0.009 -15.296 1.00 0.00 O ATOM 1050 OE2 GLU A 65 85.148 -0.737 -14.634 1.00 0.00 O ATOM 0 H GLU A 65 80.946 -4.093 -14.586 1.00 0.00 H new ATOM 0 HA GLU A 65 81.481 -2.704 -12.013 1.00 0.00 H new ATOM 0 HB2 GLU A 65 81.311 -1.622 -14.860 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.524 -0.642 -13.423 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.626 -1.939 -12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 65 83.424 -2.851 -14.363 1.00 0.00 H new ATOM 1057 N ILE A 66 79.129 -2.053 -11.685 1.00 0.00 N ATOM 1058 CA ILE A 66 77.726 -1.754 -11.435 1.00 0.00 C ATOM 1059 C ILE A 66 77.578 -0.380 -10.790 1.00 0.00 C ATOM 1060 O ILE A 66 78.189 -0.103 -9.758 1.00 0.00 O ATOM 1061 CB ILE A 66 77.122 -2.818 -10.515 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.326 -4.204 -11.138 1.00 0.00 C ATOM 1063 CG2 ILE A 66 75.627 -2.550 -10.343 1.00 0.00 C ATOM 1064 CD1 ILE A 66 76.857 -5.288 -10.162 1.00 0.00 C ATOM 0 H ILE A 66 79.736 -1.951 -10.872 1.00 0.00 H new ATOM 0 HA ILE A 66 77.198 -1.755 -12.389 1.00 0.00 H new ATOM 0 HB ILE A 66 77.612 -2.781 -9.542 1.00 0.00 H new ATOM 0 HG12 ILE A 66 76.769 -4.278 -12.072 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.378 -4.352 -11.381 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.195 -3.307 -9.688 1.00 0.00 H new ATOM 0 HG22 ILE A 66 75.483 -1.563 -9.903 1.00 0.00 H new ATOM 0 HG23 ILE A 66 75.136 -2.589 -11.315 1.00 0.00 H new ATOM 0 HD11 ILE A 66 77.005 -6.270 -10.611 1.00 0.00 H new ATOM 0 HD12 ILE A 66 77.433 -5.220 -9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 66 75.799 -5.145 -9.941 1.00 0.00 H new ATOM 1076 N ALA A 67 76.765 0.476 -11.399 1.00 0.00 N ATOM 1077 CA ALA A 67 76.548 1.817 -10.866 1.00 0.00 C ATOM 1078 C ALA A 67 77.849 2.614 -10.858 1.00 0.00 C ATOM 1079 O ALA A 67 77.962 3.637 -11.535 1.00 0.00 O ATOM 1080 CB ALA A 67 75.991 1.730 -9.444 1.00 0.00 C ATOM 0 H ALA A 67 76.249 0.269 -12.254 1.00 0.00 H new ATOM 0 HA ALA A 67 75.830 2.328 -11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.832 2.735 -9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.043 1.191 -9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.700 1.201 -8.807 1.00 0.00 H new ATOM 1086 N GLY A 68 78.828 2.144 -10.091 1.00 0.00 N ATOM 1087 CA GLY A 68 80.112 2.832 -10.014 1.00 0.00 C ATOM 1088 C GLY A 68 81.143 2.029 -9.224 1.00 0.00 C ATOM 1089 O GLY A 68 82.148 2.578 -8.773 1.00 0.00 O ATOM 0 H GLY A 68 78.759 1.301 -9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 68 80.487 3.013 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 68 79.974 3.806 -9.545 1.00 0.00 H new ATOM 1093 N HIS A 69 80.901 0.731 -9.057 1.00 0.00 N ATOM 1094 CA HIS A 69 81.833 -0.116 -8.319 1.00 0.00 C ATOM 1095 C HIS A 69 82.257 -1.314 -9.162 1.00 0.00 C ATOM 1096 O HIS A 69 81.442 -1.910 -9.865 1.00 0.00 O ATOM 1097 CB HIS A 69 81.187 -0.602 -7.019 1.00 0.00 C ATOM 1098 CG HIS A 69 80.945 0.573 -6.110 1.00 0.00 C ATOM 1099 ND1 HIS A 69 79.693 1.148 -5.961 1.00 0.00 N ATOM 1100 CD2 HIS A 69 81.788 1.293 -5.299 1.00 0.00 C ATOM 1101 CE1 HIS A 69 79.816 2.167 -5.091 1.00 0.00 C ATOM 1102 NE2 HIS A 69 81.073 2.300 -4.658 1.00 0.00 N ATOM 0 H HIS A 69 80.078 0.248 -9.418 1.00 0.00 H new ATOM 0 HA HIS A 69 82.718 0.475 -8.082 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.246 -1.108 -7.235 1.00 0.00 H new ATOM 0 HB3 HIS A 69 81.835 -1.328 -6.528 1.00 0.00 H new ATOM 0 HD2 HIS A 69 82.845 1.106 -5.177 1.00 0.00 H new ATOM 0 HE1 HIS A 69 78.998 2.800 -4.780 1.00 0.00 H new ATOM 0 HE2 HIS A 69 81.431 2.991 -3.999 1.00 0.00 H new ATOM 1111 N LYS A 70 83.540 -1.657 -9.089 1.00 0.00 N ATOM 1112 CA LYS A 70 84.066 -2.783 -9.855 1.00 0.00 C ATOM 1113 C LYS A 70 84.187 -4.027 -8.978 1.00 0.00 C ATOM 1114 O LYS A 70 84.489 -3.933 -7.788 1.00 0.00 O ATOM 1115 CB LYS A 70 85.438 -2.420 -10.426 1.00 0.00 C ATOM 1116 CG LYS A 70 86.445 -2.264 -9.283 1.00 0.00 C ATOM 1117 CD LYS A 70 87.781 -1.767 -9.843 1.00 0.00 C ATOM 1118 CE LYS A 70 87.646 -0.309 -10.299 1.00 0.00 C ATOM 1119 NZ LYS A 70 88.974 0.362 -10.208 1.00 0.00 N ATOM 0 H LYS A 70 84.230 -1.176 -8.512 1.00 0.00 H new ATOM 0 HA LYS A 70 83.375 -3.000 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 70 85.773 -3.195 -11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 70 85.372 -1.493 -10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 70 86.065 -1.560 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 70 86.584 -3.218 -8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 70 88.557 -1.849 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 70 88.089 -2.392 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 70 87.275 -0.269 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 70 86.919 0.213 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 88.885 1.351 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 89.310 0.335 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 89.655 -0.132 -10.820 1.00 0.00 H new ATOM 1133 N ALA A 71 83.955 -5.191 -9.578 1.00 0.00 N ATOM 1134 CA ALA A 71 84.045 -6.452 -8.848 1.00 0.00 C ATOM 1135 C ALA A 71 84.522 -7.569 -9.773 1.00 0.00 C ATOM 1136 O ALA A 71 84.259 -7.544 -10.975 1.00 0.00 O ATOM 1137 CB ALA A 71 82.677 -6.817 -8.268 1.00 0.00 C ATOM 0 H ALA A 71 83.705 -5.288 -10.562 1.00 0.00 H new ATOM 0 HA ALA A 71 84.763 -6.333 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.752 -7.759 -7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 71 82.349 -6.031 -7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.955 -6.921 -9.078 1.00 0.00 H new ATOM 1143 N ILE A 72 85.222 -8.547 -9.206 1.00 0.00 N ATOM 1144 CA ILE A 72 85.727 -9.665 -9.998 1.00 0.00 C ATOM 1145 C ILE A 72 85.211 -10.992 -9.452 1.00 0.00 C ATOM 1146 O ILE A 72 85.186 -11.211 -8.242 1.00 0.00 O ATOM 1147 CB ILE A 72 87.259 -9.670 -9.997 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.762 -10.812 -10.884 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.781 -9.873 -8.571 1.00 0.00 C ATOM 1150 CD1 ILE A 72 89.243 -10.597 -11.205 1.00 0.00 C ATOM 0 H ILE A 72 85.451 -8.589 -8.213 1.00 0.00 H new ATOM 0 HA ILE A 72 85.369 -9.543 -11.020 1.00 0.00 H new ATOM 0 HB ILE A 72 87.620 -8.715 -10.380 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.624 -11.767 -10.378 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.182 -10.853 -11.806 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.871 -9.875 -8.579 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.425 -9.063 -7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.419 -10.825 -8.183 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.600 -11.410 -11.836 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.368 -9.649 -11.729 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.817 -10.578 -10.279 1.00 0.00 H new ATOM 1162 N GLY A 73 84.795 -11.874 -10.355 1.00 0.00 N ATOM 1163 CA GLY A 73 84.281 -13.175 -9.946 1.00 0.00 C ATOM 1164 C GLY A 73 83.897 -14.026 -11.152 1.00 0.00 C ATOM 1165 O GLY A 73 84.092 -13.624 -12.299 1.00 0.00 O ATOM 0 H GLY A 73 84.803 -11.714 -11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 73 85.035 -13.697 -9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.411 -13.039 -9.303 1.00 0.00 H new ATOM 1169 N THR A 74 83.353 -15.206 -10.876 1.00 0.00 N ATOM 1170 CA THR A 74 82.944 -16.124 -11.934 1.00 0.00 C ATOM 1171 C THR A 74 81.672 -15.636 -12.619 1.00 0.00 C ATOM 1172 O THR A 74 80.742 -15.170 -11.962 1.00 0.00 O ATOM 1173 CB THR A 74 82.695 -17.513 -11.344 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.875 -17.974 -10.702 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.300 -18.482 -12.459 1.00 0.00 C ATOM 0 H THR A 74 83.185 -15.550 -9.930 1.00 0.00 H new ATOM 0 HA THR A 74 83.744 -16.170 -12.673 1.00 0.00 H new ATOM 0 HB THR A 74 81.886 -17.458 -10.615 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.715 -18.863 -10.323 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.123 -19.471 -12.036 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.391 -18.127 -12.944 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.104 -18.540 -13.193 1.00 0.00 H new ATOM 1183 N VAL A 75 81.634 -15.760 -13.943 1.00 0.00 N ATOM 1184 CA VAL A 75 80.463 -15.341 -14.702 1.00 0.00 C ATOM 1185 C VAL A 75 80.097 -16.394 -15.744 1.00 0.00 C ATOM 1186 O VAL A 75 80.716 -16.475 -16.808 1.00 0.00 O ATOM 1187 CB VAL A 75 80.736 -14.006 -15.395 1.00 0.00 C ATOM 1188 CG1 VAL A 75 79.418 -13.409 -15.891 1.00 0.00 C ATOM 1189 CG2 VAL A 75 81.387 -13.043 -14.400 1.00 0.00 C ATOM 0 H VAL A 75 82.393 -16.143 -14.506 1.00 0.00 H new ATOM 0 HA VAL A 75 79.629 -15.224 -14.011 1.00 0.00 H new ATOM 0 HB VAL A 75 81.404 -14.165 -16.242 1.00 0.00 H new ATOM 0 HG11 VAL A 75 79.613 -12.457 -16.385 1.00 0.00 H new ATOM 0 HG12 VAL A 75 78.951 -14.095 -16.597 1.00 0.00 H new ATOM 0 HG13 VAL A 75 78.750 -13.248 -15.045 1.00 0.00 H new ATOM 0 HG21 VAL A 75 81.583 -12.090 -14.891 1.00 0.00 H new ATOM 0 HG22 VAL A 75 80.717 -12.885 -13.555 1.00 0.00 H new ATOM 0 HG23 VAL A 75 82.326 -13.467 -14.044 1.00 0.00 H new ATOM 1199 N LEU A 76 79.109 -17.221 -15.416 1.00 0.00 N ATOM 1200 CA LEU A 76 78.690 -18.289 -16.316 1.00 0.00 C ATOM 1201 C LEU A 76 77.950 -17.734 -17.530 1.00 0.00 C ATOM 1202 O LEU A 76 77.017 -16.941 -17.400 1.00 0.00 O ATOM 1203 CB LEU A 76 77.768 -19.262 -15.575 1.00 0.00 C ATOM 1204 CG LEU A 76 78.536 -19.961 -14.445 1.00 0.00 C ATOM 1205 CD1 LEU A 76 78.467 -19.126 -13.162 1.00 0.00 C ATOM 1206 CD2 LEU A 76 77.911 -21.334 -14.186 1.00 0.00 C ATOM 0 H LEU A 76 78.587 -17.173 -14.541 1.00 0.00 H new ATOM 0 HA LEU A 76 79.586 -18.806 -16.659 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.913 -18.724 -15.165 1.00 0.00 H new ATOM 0 HB3 LEU A 76 77.375 -20.003 -16.271 1.00 0.00 H new ATOM 0 HG LEU A 76 79.579 -20.074 -14.740 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.016 -19.633 -12.368 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.910 -18.146 -13.341 1.00 0.00 H new ATOM 0 HD13 LEU A 76 77.426 -19.004 -12.863 1.00 0.00 H new ATOM 0 HD21 LEU A 76 78.453 -21.835 -13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.867 -21.210 -13.897 1.00 0.00 H new ATOM 0 HD23 LEU A 76 77.967 -21.936 -15.093 1.00 0.00 H new ATOM 1218 N VAL A 77 78.373 -18.173 -18.712 1.00 0.00 N ATOM 1219 CA VAL A 77 77.744 -17.732 -19.951 1.00 0.00 C ATOM 1220 C VAL A 77 76.991 -18.891 -20.596 1.00 0.00 C ATOM 1221 O VAL A 77 77.552 -19.968 -20.814 1.00 0.00 O ATOM 1222 CB VAL A 77 78.805 -17.203 -20.919 1.00 0.00 C ATOM 1223 CG1 VAL A 77 78.126 -16.636 -22.169 1.00 0.00 C ATOM 1224 CG2 VAL A 77 79.611 -16.096 -20.232 1.00 0.00 C ATOM 0 H VAL A 77 79.144 -18.829 -18.837 1.00 0.00 H new ATOM 0 HA VAL A 77 77.040 -16.932 -19.722 1.00 0.00 H new ATOM 0 HB VAL A 77 79.470 -18.017 -21.207 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.884 -16.260 -22.856 1.00 0.00 H new ATOM 0 HG12 VAL A 77 77.550 -17.422 -22.658 1.00 0.00 H new ATOM 0 HG13 VAL A 77 77.460 -15.822 -21.884 1.00 0.00 H new ATOM 0 HG21 VAL A 77 80.368 -15.717 -20.919 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.943 -15.284 -19.945 1.00 0.00 H new ATOM 0 HG23 VAL A 77 80.097 -16.498 -19.343 1.00 0.00 H new ATOM 1234 N GLY A 78 75.716 -18.664 -20.895 1.00 0.00 N ATOM 1235 CA GLY A 78 74.891 -19.700 -21.505 1.00 0.00 C ATOM 1236 C GLY A 78 73.741 -19.094 -22.307 1.00 0.00 C ATOM 1237 O GLY A 78 73.545 -17.879 -22.314 1.00 0.00 O ATOM 0 H GLY A 78 75.235 -17.780 -20.727 1.00 0.00 H new ATOM 0 HA2 GLY A 78 75.506 -20.320 -22.158 1.00 0.00 H new ATOM 0 HA3 GLY A 78 74.491 -20.353 -20.729 1.00 0.00 H new ATOM 1241 N PRO A 79 72.990 -19.925 -22.982 1.00 0.00 N ATOM 1242 CA PRO A 79 71.832 -19.486 -23.823 1.00 0.00 C ATOM 1243 C PRO A 79 70.731 -18.796 -23.016 1.00 0.00 C ATOM 1244 O PRO A 79 69.821 -18.194 -23.586 1.00 0.00 O ATOM 1245 CB PRO A 79 71.310 -20.783 -24.453 1.00 0.00 C ATOM 1246 CG PRO A 79 71.865 -21.894 -23.625 1.00 0.00 C ATOM 1247 CD PRO A 79 73.168 -21.382 -23.017 1.00 0.00 C ATOM 0 HA PRO A 79 72.142 -18.742 -24.557 1.00 0.00 H new ATOM 0 HB2 PRO A 79 70.220 -20.805 -24.455 1.00 0.00 H new ATOM 0 HB3 PRO A 79 71.633 -20.871 -25.490 1.00 0.00 H new ATOM 0 HG2 PRO A 79 71.161 -22.183 -22.844 1.00 0.00 H new ATOM 0 HG3 PRO A 79 72.045 -22.779 -24.236 1.00 0.00 H new ATOM 0 HD2 PRO A 79 73.331 -21.789 -22.019 1.00 0.00 H new ATOM 0 HD3 PRO A 79 74.030 -21.665 -23.621 1.00 0.00 H new ATOM 1255 N THR A 80 70.809 -18.894 -21.694 1.00 0.00 N ATOM 1256 CA THR A 80 69.803 -18.286 -20.829 1.00 0.00 C ATOM 1257 C THR A 80 69.383 -16.915 -21.370 1.00 0.00 C ATOM 1258 O THR A 80 70.197 -16.197 -21.948 1.00 0.00 O ATOM 1259 CB THR A 80 70.368 -18.126 -19.414 1.00 0.00 C ATOM 1260 OG1 THR A 80 69.494 -17.312 -18.643 1.00 0.00 O ATOM 1261 CG2 THR A 80 71.749 -17.470 -19.485 1.00 0.00 C ATOM 0 H THR A 80 71.553 -19.385 -21.199 1.00 0.00 H new ATOM 0 HA THR A 80 68.928 -18.936 -20.804 1.00 0.00 H new ATOM 0 HB THR A 80 70.457 -19.107 -18.946 1.00 0.00 H new ATOM 0 HG1 THR A 80 69.855 -17.211 -17.737 1.00 0.00 H new ATOM 0 HG21 THR A 80 72.150 -17.357 -18.478 1.00 0.00 H new ATOM 0 HG22 THR A 80 72.419 -18.096 -20.074 1.00 0.00 H new ATOM 0 HG23 THR A 80 71.662 -16.490 -19.954 1.00 0.00 H new ATOM 1269 N PRO A 81 68.135 -16.546 -21.201 1.00 0.00 N ATOM 1270 CA PRO A 81 67.611 -15.234 -21.691 1.00 0.00 C ATOM 1271 C PRO A 81 68.235 -14.042 -20.969 1.00 0.00 C ATOM 1272 O PRO A 81 68.548 -14.116 -19.782 1.00 0.00 O ATOM 1273 CB PRO A 81 66.105 -15.306 -21.415 1.00 0.00 C ATOM 1274 CG PRO A 81 65.938 -16.341 -20.354 1.00 0.00 C ATOM 1275 CD PRO A 81 67.087 -17.331 -20.526 1.00 0.00 C ATOM 0 HA PRO A 81 67.851 -15.080 -22.743 1.00 0.00 H new ATOM 0 HB2 PRO A 81 65.721 -14.341 -21.084 1.00 0.00 H new ATOM 0 HB3 PRO A 81 65.554 -15.576 -22.316 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.962 -15.888 -19.363 1.00 0.00 H new ATOM 0 HG3 PRO A 81 64.976 -16.844 -20.451 1.00 0.00 H new ATOM 0 HD2 PRO A 81 67.431 -17.714 -19.565 1.00 0.00 H new ATOM 0 HD3 PRO A 81 66.786 -18.192 -21.123 1.00 0.00 H new ATOM 1283 N VAL A 82 68.395 -12.941 -21.703 1.00 0.00 N ATOM 1284 CA VAL A 82 68.969 -11.716 -21.147 1.00 0.00 C ATOM 1285 C VAL A 82 69.953 -12.021 -20.023 1.00 0.00 C ATOM 1286 O VAL A 82 70.591 -13.075 -20.006 1.00 0.00 O ATOM 1287 CB VAL A 82 67.852 -10.816 -20.616 1.00 0.00 C ATOM 1288 CG1 VAL A 82 68.180 -9.355 -20.933 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.529 -11.196 -21.288 1.00 0.00 C ATOM 0 H VAL A 82 68.134 -12.873 -22.687 1.00 0.00 H new ATOM 0 HA VAL A 82 69.510 -11.207 -21.945 1.00 0.00 H new ATOM 0 HB VAL A 82 67.764 -10.944 -19.537 1.00 0.00 H new ATOM 0 HG11 VAL A 82 67.384 -8.713 -20.555 1.00 0.00 H new ATOM 0 HG12 VAL A 82 69.123 -9.082 -20.458 1.00 0.00 H new ATOM 0 HG13 VAL A 82 68.267 -9.227 -22.012 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.732 -10.555 -20.910 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.618 -11.067 -22.367 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.294 -12.237 -21.066 1.00 0.00 H new ATOM 1299 N ASN A 83 70.075 -11.086 -19.085 1.00 0.00 N ATOM 1300 CA ASN A 83 70.988 -11.264 -17.959 1.00 0.00 C ATOM 1301 C ASN A 83 70.243 -11.144 -16.633 1.00 0.00 C ATOM 1302 O ASN A 83 69.403 -10.260 -16.458 1.00 0.00 O ATOM 1303 CB ASN A 83 72.115 -10.224 -18.010 1.00 0.00 C ATOM 1304 CG ASN A 83 72.836 -10.303 -19.351 1.00 0.00 C ATOM 1305 OD1 ASN A 83 73.096 -11.395 -19.855 1.00 0.00 O ATOM 1306 ND2 ASN A 83 73.177 -9.202 -19.964 1.00 0.00 N ATOM 0 H ASN A 83 69.559 -10.206 -19.081 1.00 0.00 H new ATOM 0 HA ASN A 83 71.419 -12.263 -18.033 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.705 -9.224 -17.866 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.820 -10.399 -17.198 1.00 0.00 H new ATOM 0 HD21 ASN A 83 73.659 -9.246 -20.862 1.00 0.00 H new ATOM 0 HD22 ASN A 83 72.961 -8.297 -19.545 1.00 0.00 H new ATOM 1313 N ILE A 84 70.563 -12.034 -15.698 1.00 0.00 N ATOM 1314 CA ILE A 84 69.925 -12.015 -14.387 1.00 0.00 C ATOM 1315 C ILE A 84 70.978 -11.949 -13.283 1.00 0.00 C ATOM 1316 O ILE A 84 71.995 -12.644 -13.340 1.00 0.00 O ATOM 1317 CB ILE A 84 69.059 -13.264 -14.201 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.387 -13.216 -12.827 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.934 -14.515 -14.296 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.284 -14.274 -12.760 1.00 0.00 C ATOM 0 H ILE A 84 71.256 -12.772 -15.823 1.00 0.00 H new ATOM 0 HA ILE A 84 69.292 -11.130 -14.325 1.00 0.00 H new ATOM 0 HB ILE A 84 68.297 -13.296 -14.980 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.124 -13.394 -12.044 1.00 0.00 H new ATOM 0 HG13 ILE A 84 67.967 -12.226 -12.650 1.00 0.00 H new ATOM 0 HG21 ILE A 84 69.315 -15.403 -14.163 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.414 -14.550 -15.274 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.697 -14.485 -13.518 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.806 -14.239 -11.781 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.542 -14.076 -13.534 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.717 -15.262 -12.917 1.00 0.00 H new ATOM 1332 N ILE A 85 70.730 -11.107 -12.282 1.00 0.00 N ATOM 1333 CA ILE A 85 71.665 -10.954 -11.173 1.00 0.00 C ATOM 1334 C ILE A 85 71.078 -11.528 -9.888 1.00 0.00 C ATOM 1335 O ILE A 85 69.946 -11.218 -9.515 1.00 0.00 O ATOM 1336 CB ILE A 85 71.998 -9.475 -10.967 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.563 -8.897 -12.265 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.036 -9.334 -9.852 1.00 0.00 C ATOM 1339 CD1 ILE A 85 72.803 -7.395 -12.094 1.00 0.00 C ATOM 0 H ILE A 85 69.895 -10.525 -12.217 1.00 0.00 H new ATOM 0 HA ILE A 85 72.576 -11.501 -11.417 1.00 0.00 H new ATOM 0 HB ILE A 85 71.093 -8.934 -10.689 1.00 0.00 H new ATOM 0 HG12 ILE A 85 73.496 -9.398 -12.523 1.00 0.00 H new ATOM 0 HG13 ILE A 85 71.869 -9.074 -13.087 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.272 -8.280 -9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 85 72.634 -9.747 -8.927 1.00 0.00 H new ATOM 0 HG23 ILE A 85 73.942 -9.874 -10.128 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.206 -6.983 -13.019 1.00 0.00 H new ATOM 0 HD12 ILE A 85 71.861 -6.901 -11.857 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.513 -7.230 -11.284 1.00 0.00 H new ATOM 1351 N GLY A 86 71.858 -12.372 -9.221 1.00 0.00 N ATOM 1352 CA GLY A 86 71.412 -12.994 -7.982 1.00 0.00 C ATOM 1353 C GLY A 86 72.009 -12.302 -6.759 1.00 0.00 C ATOM 1354 O GLY A 86 72.749 -11.325 -6.882 1.00 0.00 O ATOM 0 H GLY A 86 72.797 -12.639 -9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.324 -12.957 -7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 86 71.696 -14.046 -7.980 1.00 0.00 H new ATOM 1358 N ARG A 87 71.677 -12.818 -5.582 1.00 0.00 N ATOM 1359 CA ARG A 87 72.167 -12.261 -4.324 1.00 0.00 C ATOM 1360 C ARG A 87 73.693 -12.218 -4.291 1.00 0.00 C ATOM 1361 O ARG A 87 74.283 -11.462 -3.519 1.00 0.00 O ATOM 1362 CB ARG A 87 71.668 -13.113 -3.156 1.00 0.00 C ATOM 1363 CG ARG A 87 70.141 -13.045 -3.087 1.00 0.00 C ATOM 1364 CD ARG A 87 69.647 -13.880 -1.904 1.00 0.00 C ATOM 1365 NE ARG A 87 70.056 -13.267 -0.646 1.00 0.00 N ATOM 1366 CZ ARG A 87 69.496 -13.621 0.506 1.00 0.00 C ATOM 1367 NH1 ARG A 87 68.562 -14.532 0.523 1.00 0.00 N ATOM 1368 NH2 ARG A 87 69.878 -13.058 1.619 1.00 0.00 N ATOM 0 H ARG A 87 71.066 -13.627 -5.471 1.00 0.00 H new ATOM 0 HA ARG A 87 71.789 -11.242 -4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 87 71.991 -14.146 -3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 87 72.101 -12.756 -2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 87 69.817 -12.010 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 87 69.707 -13.417 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 87 68.561 -13.965 -1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 87 70.048 -14.891 -1.971 1.00 0.00 H new ATOM 0 HE ARG A 87 70.785 -12.554 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 87 68.262 -14.972 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 87 68.131 -14.805 1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 87 70.607 -12.345 1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 87 69.447 -13.331 2.502 1.00 0.00 H new ATOM 1382 N ASN A 88 74.326 -13.045 -5.113 1.00 0.00 N ATOM 1383 CA ASN A 88 75.784 -13.104 -5.148 1.00 0.00 C ATOM 1384 C ASN A 88 76.401 -11.723 -5.370 1.00 0.00 C ATOM 1385 O ASN A 88 77.391 -11.372 -4.727 1.00 0.00 O ATOM 1386 CB ASN A 88 76.235 -14.047 -6.265 1.00 0.00 C ATOM 1387 CG ASN A 88 77.727 -14.332 -6.134 1.00 0.00 C ATOM 1388 OD1 ASN A 88 78.399 -13.753 -5.280 1.00 0.00 O ATOM 1389 ND2 ASN A 88 78.289 -15.196 -6.935 1.00 0.00 N ATOM 0 H ASN A 88 73.859 -13.680 -5.760 1.00 0.00 H new ATOM 0 HA ASN A 88 76.125 -13.476 -4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 88 75.672 -14.979 -6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.025 -13.600 -7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 88 79.287 -15.393 -6.854 1.00 0.00 H new ATOM 0 HD22 ASN A 88 77.731 -15.675 -7.642 1.00 0.00 H new ATOM 1396 N LEU A 89 75.824 -10.944 -6.280 1.00 0.00 N ATOM 1397 CA LEU A 89 76.352 -9.611 -6.561 1.00 0.00 C ATOM 1398 C LEU A 89 75.510 -8.524 -5.898 1.00 0.00 C ATOM 1399 O LEU A 89 76.042 -7.521 -5.422 1.00 0.00 O ATOM 1400 CB LEU A 89 76.403 -9.370 -8.074 1.00 0.00 C ATOM 1401 CG LEU A 89 77.253 -10.454 -8.745 1.00 0.00 C ATOM 1402 CD1 LEU A 89 77.378 -10.152 -10.239 1.00 0.00 C ATOM 1403 CD2 LEU A 89 78.650 -10.475 -8.120 1.00 0.00 C ATOM 0 H LEU A 89 75.004 -11.206 -6.828 1.00 0.00 H new ATOM 0 HA LEU A 89 77.360 -9.562 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.394 -9.379 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 89 76.823 -8.386 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 89 76.775 -11.423 -8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 89 77.983 -10.923 -10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 89 76.386 -10.136 -10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 89 77.854 -9.181 -10.375 1.00 0.00 H new ATOM 0 HD21 LEU A 89 79.252 -11.247 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 89 79.126 -9.505 -8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 89 78.569 -10.688 -7.054 1.00 0.00 H new ATOM 1415 N LEU A 90 74.197 -8.716 -5.883 1.00 0.00 N ATOM 1416 CA LEU A 90 73.298 -7.729 -5.292 1.00 0.00 C ATOM 1417 C LEU A 90 73.711 -7.409 -3.857 1.00 0.00 C ATOM 1418 O LEU A 90 73.662 -6.256 -3.430 1.00 0.00 O ATOM 1419 CB LEU A 90 71.867 -8.264 -5.297 1.00 0.00 C ATOM 1420 CG LEU A 90 70.894 -7.141 -4.942 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.425 -6.456 -6.224 1.00 0.00 C ATOM 1422 CD2 LEU A 90 69.687 -7.730 -4.207 1.00 0.00 C ATOM 0 H LEU A 90 73.733 -9.538 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 90 73.354 -6.817 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 90 71.625 -8.671 -6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.772 -9.080 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 90 71.391 -6.413 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 90 69.730 -5.654 -5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 90 71.285 -6.041 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 90 69.925 -7.184 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 90 68.991 -6.931 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 90 69.188 -8.455 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.022 -8.224 -3.295 1.00 0.00 H new ATOM 1434 N THR A 91 74.109 -8.438 -3.115 1.00 0.00 N ATOM 1435 CA THR A 91 74.521 -8.253 -1.727 1.00 0.00 C ATOM 1436 C THR A 91 75.921 -7.651 -1.645 1.00 0.00 C ATOM 1437 O THR A 91 76.246 -6.943 -0.692 1.00 0.00 O ATOM 1438 CB THR A 91 74.500 -9.595 -0.992 1.00 0.00 C ATOM 1439 OG1 THR A 91 74.230 -9.374 0.385 1.00 0.00 O ATOM 1440 CG2 THR A 91 75.859 -10.284 -1.145 1.00 0.00 C ATOM 0 H THR A 91 74.155 -9.401 -3.448 1.00 0.00 H new ATOM 0 HA THR A 91 73.819 -7.565 -1.256 1.00 0.00 H new ATOM 0 HB THR A 91 73.724 -10.231 -1.417 1.00 0.00 H new ATOM 0 HG1 THR A 91 74.215 -10.233 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 91 75.843 -11.240 -0.621 1.00 0.00 H new ATOM 0 HG22 THR A 91 76.064 -10.453 -2.202 1.00 0.00 H new ATOM 0 HG23 THR A 91 76.638 -9.650 -0.721 1.00 0.00 H new ATOM 1448 N GLN A 92 76.749 -7.946 -2.641 1.00 0.00 N ATOM 1449 CA GLN A 92 78.117 -7.437 -2.657 1.00 0.00 C ATOM 1450 C GLN A 92 78.137 -5.917 -2.522 1.00 0.00 C ATOM 1451 O GLN A 92 78.983 -5.362 -1.821 1.00 0.00 O ATOM 1452 CB GLN A 92 78.810 -7.844 -3.959 1.00 0.00 C ATOM 1453 CG GLN A 92 80.294 -7.484 -3.880 1.00 0.00 C ATOM 1454 CD GLN A 92 80.975 -7.779 -5.213 1.00 0.00 C ATOM 1455 OE1 GLN A 92 80.575 -7.245 -6.247 1.00 0.00 O ATOM 1456 NE2 GLN A 92 81.985 -8.604 -5.250 1.00 0.00 N ATOM 0 H GLN A 92 76.501 -8.529 -3.441 1.00 0.00 H new ATOM 0 HA GLN A 92 78.649 -7.867 -1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.693 -8.915 -4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.346 -7.336 -4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 92 80.408 -6.429 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.773 -8.054 -3.084 1.00 0.00 H new ATOM 0 HE21 GLN A 92 82.315 -9.045 -4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 92 82.445 -8.808 -6.137 1.00 0.00 H new ATOM 1465 N ILE A 93 77.203 -5.249 -3.190 1.00 0.00 N ATOM 1466 CA ILE A 93 77.133 -3.792 -3.121 1.00 0.00 C ATOM 1467 C ILE A 93 76.729 -3.342 -1.721 1.00 0.00 C ATOM 1468 O ILE A 93 77.199 -2.317 -1.226 1.00 0.00 O ATOM 1469 CB ILE A 93 76.133 -3.255 -4.151 1.00 0.00 C ATOM 1470 CG1 ILE A 93 76.758 -3.298 -5.552 1.00 0.00 C ATOM 1471 CG2 ILE A 93 75.770 -1.810 -3.803 1.00 0.00 C ATOM 1472 CD1 ILE A 93 75.664 -3.546 -6.590 1.00 0.00 C ATOM 0 H ILE A 93 76.492 -5.685 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 93 78.121 -3.392 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 93 75.235 -3.873 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 93 77.268 -2.358 -5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 93 77.508 -4.087 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 93 75.059 -1.427 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 93 75.322 -1.776 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 93 76.670 -1.196 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 93 76.107 -3.577 -7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 93 75.174 -4.497 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 93 74.930 -2.742 -6.544 1.00 0.00 H new ATOM 1484 N GLY A 94 75.855 -4.118 -1.086 1.00 0.00 N ATOM 1485 CA GLY A 94 75.396 -3.794 0.258 1.00 0.00 C ATOM 1486 C GLY A 94 76.567 -3.727 1.233 1.00 0.00 C ATOM 1487 O GLY A 94 76.570 -2.919 2.161 1.00 0.00 O ATOM 0 H GLY A 94 75.454 -4.970 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 94 74.872 -2.838 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 94 74.681 -4.546 0.593 1.00 0.00 H new ATOM 1491 N ALA A 95 77.559 -4.586 1.016 1.00 0.00 N ATOM 1492 CA ALA A 95 78.731 -4.619 1.882 1.00 0.00 C ATOM 1493 C ALA A 95 79.600 -3.387 1.659 1.00 0.00 C ATOM 1494 O ALA A 95 79.805 -2.651 2.610 1.00 0.00 O ATOM 1495 CB ALA A 95 79.550 -5.881 1.602 1.00 0.00 C ATOM 1496 OXT ALA A 95 80.050 -3.197 0.540 1.00 0.00 O ATOM 0 H ALA A 95 77.574 -5.263 0.254 1.00 0.00 H new ATOM 0 HA ALA A 95 78.393 -4.626 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 95 80.424 -5.899 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 95 78.937 -6.762 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 95 79.873 -5.882 0.561 1.00 0.00 H new TER 1502 ALA A 95