USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 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 Single : A 1 GLY N :NH3+ -177:sc= 0 (180deg=-0.0219) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.0135 (180deg=-0.233) USER MOD Single : A 13 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.05) USER MOD Single : A 18 SER OG : rot -63:sc= 0.53 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0498) USER MOD Single : A 26 MET CE :methyl 156:sc= -5.18! (180deg=-6.13!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -8.54! C(o=-9.3!,f=-8.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 15:sc= -0.0103 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= -2.12 (180deg=-2.46) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.15 F(o=-2.8,f=-1.2) USER MOD Single : A 42 MET CE :methyl -122:sc= -0.271 (180deg=-0.462) USER MOD Single : A 44 SER OG : rot 95:sc= 1.08 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -73:sc= -0.157 USER MOD Single : A 48 ASN : amide:sc= -0.0124 X(o=-0.012,f=0.079) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.156 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.927 F(o=-2.2!,f=-0.93) USER MOD Single : A 60 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.14) USER MOD Single : A 69 MET CE :methyl -167:sc= -1.06 (180deg=-1.81) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.23 F(o=-1,f=-0.23) USER MOD Single : A 72 GLN : amide:sc=-0.00604 X(o=-0.006,f=0) USER MOD Single : A 75 ASN : amide:sc= -1.44! C(o=-1.4!,f=-1.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 3:sc= 1.05 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.247 -22.420 -5.826 1.00 0.00 N ATOM 2 CA GLY A 1 0.212 -21.349 -6.692 1.00 0.00 C ATOM 3 C GLY A 1 -0.277 -21.508 -8.118 1.00 0.00 C ATOM 4 O GLY A 1 -0.706 -20.539 -8.746 1.00 0.00 O ATOM 0 H1 GLY A 1 0.071 -22.239 -4.852 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.286 -22.464 -5.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.145 -23.325 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.133 -20.393 -6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.302 -21.322 -6.685 1.00 0.00 H new ATOM 8 N SER A 2 -0.210 -22.731 -8.633 1.00 0.00 N ATOM 9 CA SER A 2 -0.644 -23.012 -9.996 1.00 0.00 C ATOM 10 C SER A 2 -2.121 -22.677 -10.176 1.00 0.00 C ATOM 11 O SER A 2 -2.485 -21.857 -11.019 1.00 0.00 O ATOM 12 CB SER A 2 -0.397 -24.483 -10.339 1.00 0.00 C ATOM 13 OG SER A 2 0.950 -24.846 -10.090 1.00 0.00 O ATOM 0 H SER A 2 0.141 -23.544 -8.126 1.00 0.00 H new ATOM 0 HA SER A 2 -0.063 -22.386 -10.673 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.062 -25.114 -9.749 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.637 -24.660 -11.387 1.00 0.00 H new ATOM 0 HG SER A 2 1.081 -25.791 -10.315 1.00 0.00 H new ATOM 19 N SER A 3 -2.968 -23.318 -9.377 1.00 0.00 N ATOM 20 CA SER A 3 -4.407 -23.092 -9.450 1.00 0.00 C ATOM 21 C SER A 3 -4.801 -21.842 -8.668 1.00 0.00 C ATOM 22 O SER A 3 -3.966 -21.215 -8.017 1.00 0.00 O ATOM 23 CB SER A 3 -5.164 -24.306 -8.907 1.00 0.00 C ATOM 24 OG SER A 3 -4.782 -25.490 -9.585 1.00 0.00 O ATOM 0 H SER A 3 -2.683 -23.998 -8.672 1.00 0.00 H new ATOM 0 HA SER A 3 -4.674 -22.945 -10.497 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.967 -24.414 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.237 -24.149 -9.019 1.00 0.00 H new ATOM 0 HG SER A 3 -5.278 -26.251 -9.219 1.00 0.00 H new ATOM 30 N GLY A 4 -6.080 -21.486 -8.739 1.00 0.00 N ATOM 31 CA GLY A 4 -6.563 -20.313 -8.034 1.00 0.00 C ATOM 32 C GLY A 4 -7.480 -19.460 -8.888 1.00 0.00 C ATOM 33 O GLY A 4 -8.586 -19.116 -8.471 1.00 0.00 O ATOM 0 H GLY A 4 -6.790 -21.989 -9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.095 -20.626 -7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.713 -19.713 -7.708 1.00 0.00 H new ATOM 37 N SER A 5 -7.020 -19.116 -10.087 1.00 0.00 N ATOM 38 CA SER A 5 -7.805 -18.294 -11.000 1.00 0.00 C ATOM 39 C SER A 5 -9.293 -18.604 -10.868 1.00 0.00 C ATOM 40 O SER A 5 -10.106 -17.711 -10.628 1.00 0.00 O ATOM 41 CB SER A 5 -7.351 -18.521 -12.443 1.00 0.00 C ATOM 42 OG SER A 5 -8.060 -17.682 -13.338 1.00 0.00 O ATOM 0 H SER A 5 -6.108 -19.394 -10.448 1.00 0.00 H new ATOM 0 HA SER A 5 -7.645 -17.248 -10.737 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.282 -18.326 -12.526 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.507 -19.564 -12.717 1.00 0.00 H new ATOM 0 HG SER A 5 -7.751 -17.845 -14.254 1.00 0.00 H new ATOM 48 N SER A 6 -9.642 -19.877 -11.025 1.00 0.00 N ATOM 49 CA SER A 6 -11.032 -20.306 -10.928 1.00 0.00 C ATOM 50 C SER A 6 -11.658 -19.828 -9.622 1.00 0.00 C ATOM 51 O SER A 6 -11.006 -19.807 -8.579 1.00 0.00 O ATOM 52 CB SER A 6 -11.125 -21.830 -11.024 1.00 0.00 C ATOM 53 OG SER A 6 -12.473 -22.263 -10.960 1.00 0.00 O ATOM 0 H SER A 6 -8.981 -20.629 -11.220 1.00 0.00 H new ATOM 0 HA SER A 6 -11.582 -19.863 -11.758 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.675 -22.167 -11.958 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.555 -22.284 -10.214 1.00 0.00 H new ATOM 0 HG SER A 6 -12.506 -23.240 -11.025 1.00 0.00 H new ATOM 59 N GLY A 7 -12.929 -19.443 -9.687 1.00 0.00 N ATOM 60 CA GLY A 7 -13.623 -18.970 -8.504 1.00 0.00 C ATOM 61 C GLY A 7 -13.179 -17.582 -8.087 1.00 0.00 C ATOM 62 O GLY A 7 -12.129 -17.418 -7.465 1.00 0.00 O ATOM 0 H GLY A 7 -13.490 -19.450 -10.539 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.696 -18.963 -8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.450 -19.665 -7.683 1.00 0.00 H new ATOM 66 N LYS A 8 -13.978 -16.578 -8.433 1.00 0.00 N ATOM 67 CA LYS A 8 -13.663 -15.196 -8.092 1.00 0.00 C ATOM 68 C LYS A 8 -14.882 -14.487 -7.513 1.00 0.00 C ATOM 69 O LYS A 8 -16.020 -14.893 -7.748 1.00 0.00 O ATOM 70 CB LYS A 8 -13.162 -14.446 -9.328 1.00 0.00 C ATOM 71 CG LYS A 8 -12.395 -13.176 -9.000 1.00 0.00 C ATOM 72 CD LYS A 8 -11.799 -12.546 -10.248 1.00 0.00 C ATOM 73 CE LYS A 8 -10.481 -13.203 -10.628 1.00 0.00 C ATOM 74 NZ LYS A 8 -10.035 -12.802 -11.991 1.00 0.00 N ATOM 0 H LYS A 8 -14.849 -16.696 -8.950 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.877 -15.204 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.520 -15.108 -9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.014 -14.193 -9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.061 -12.463 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.599 -13.403 -8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.504 -12.636 -11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.641 -11.481 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.716 -12.931 -9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.590 -14.287 -10.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.133 -13.270 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.753 -13.084 -12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.907 -11.771 -12.025 1.00 0.00 H new ATOM 88 N LYS A 9 -14.638 -13.423 -6.754 1.00 0.00 N ATOM 89 CA LYS A 9 -15.716 -12.654 -6.143 1.00 0.00 C ATOM 90 C LYS A 9 -15.388 -11.165 -6.142 1.00 0.00 C ATOM 91 O LYS A 9 -14.225 -10.775 -6.246 1.00 0.00 O ATOM 92 CB LYS A 9 -15.964 -13.134 -4.711 1.00 0.00 C ATOM 93 CG LYS A 9 -16.969 -14.269 -4.616 1.00 0.00 C ATOM 94 CD LYS A 9 -18.398 -13.755 -4.685 1.00 0.00 C ATOM 95 CE LYS A 9 -19.379 -14.877 -4.988 1.00 0.00 C ATOM 96 NZ LYS A 9 -20.787 -14.467 -4.729 1.00 0.00 N ATOM 0 H LYS A 9 -13.702 -13.074 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 9 -16.619 -12.809 -6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.019 -13.460 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.318 -12.295 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.797 -14.978 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.821 -14.810 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -18.663 -13.284 -3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.473 -12.987 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.275 -15.179 -6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.136 -15.747 -4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -21.425 -15.259 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.893 -14.203 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -21.028 -13.653 -5.330 1.00 0.00 H new ATOM 110 N ARG A 10 -16.421 -10.337 -6.023 1.00 0.00 N ATOM 111 CA ARG A 10 -16.243 -8.890 -6.008 1.00 0.00 C ATOM 112 C ARG A 10 -16.849 -8.280 -4.747 1.00 0.00 C ATOM 113 O ARG A 10 -17.478 -7.223 -4.796 1.00 0.00 O ATOM 114 CB ARG A 10 -16.881 -8.263 -7.249 1.00 0.00 C ATOM 115 CG ARG A 10 -16.052 -8.432 -8.511 1.00 0.00 C ATOM 116 CD ARG A 10 -16.600 -7.591 -9.654 1.00 0.00 C ATOM 117 NE ARG A 10 -17.886 -8.091 -10.134 1.00 0.00 N ATOM 118 CZ ARG A 10 -18.618 -7.473 -11.054 1.00 0.00 C ATOM 119 NH1 ARG A 10 -18.193 -6.337 -11.591 1.00 0.00 N ATOM 120 NH2 ARG A 10 -19.777 -7.991 -11.439 1.00 0.00 N ATOM 0 H ARG A 10 -17.390 -10.644 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.173 -8.681 -6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.863 -8.709 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.039 -7.200 -7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.019 -8.147 -8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.041 -9.482 -8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.713 -6.559 -9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.884 -7.585 -10.476 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.241 -8.963 -9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.302 -5.936 -11.298 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.757 -5.864 -12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.107 -8.865 -11.028 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.338 -7.516 -12.146 1.00 0.00 H new ATOM 134 N LYS A 11 -16.657 -8.954 -3.619 1.00 0.00 N ATOM 135 CA LYS A 11 -17.183 -8.480 -2.344 1.00 0.00 C ATOM 136 C LYS A 11 -16.142 -8.623 -1.239 1.00 0.00 C ATOM 137 O LYS A 11 -15.085 -9.218 -1.441 1.00 0.00 O ATOM 138 CB LYS A 11 -18.449 -9.256 -1.972 1.00 0.00 C ATOM 139 CG LYS A 11 -19.683 -8.810 -2.736 1.00 0.00 C ATOM 140 CD LYS A 11 -20.881 -9.691 -2.423 1.00 0.00 C ATOM 141 CE LYS A 11 -22.189 -9.002 -2.783 1.00 0.00 C ATOM 142 NZ LYS A 11 -22.495 -7.877 -1.856 1.00 0.00 N ATOM 0 H LYS A 11 -16.140 -9.832 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.430 -7.424 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -18.282 -10.317 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.633 -9.143 -0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.915 -7.776 -2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.479 -8.838 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.799 -10.628 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.881 -9.943 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -22.133 -8.626 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -23.002 -9.728 -2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -23.503 -7.632 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -22.277 -8.162 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.919 -7.050 -2.112 1.00 0.00 H new ATOM 156 N GLY A 12 -16.451 -8.074 -0.067 1.00 0.00 N ATOM 157 CA GLY A 12 -15.532 -8.153 1.053 1.00 0.00 C ATOM 158 C GLY A 12 -14.365 -7.196 0.915 1.00 0.00 C ATOM 159 O GLY A 12 -14.083 -6.705 -0.177 1.00 0.00 O ATOM 0 H GLY A 12 -17.320 -7.577 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.069 -7.935 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.154 -9.172 1.138 1.00 0.00 H new ATOM 163 N ASN A 13 -13.687 -6.927 2.026 1.00 0.00 N ATOM 164 CA ASN A 13 -12.545 -6.020 2.025 1.00 0.00 C ATOM 165 C ASN A 13 -11.544 -6.403 3.109 1.00 0.00 C ATOM 166 O ASN A 13 -11.923 -6.881 4.179 1.00 0.00 O ATOM 167 CB ASN A 13 -13.013 -4.578 2.233 1.00 0.00 C ATOM 168 CG ASN A 13 -11.895 -3.573 2.039 1.00 0.00 C ATOM 169 OD1 ASN A 13 -11.366 -3.020 3.004 1.00 0.00 O ATOM 170 ND2 ASN A 13 -11.528 -3.331 0.785 1.00 0.00 N ATOM 0 H ASN A 13 -13.909 -7.324 2.939 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.051 -6.099 1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.821 -4.357 1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.422 -4.473 3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.781 -2.664 0.592 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.994 -3.812 0.015 1.00 0.00 H new ATOM 177 N LEU A 14 -10.263 -6.191 2.827 1.00 0.00 N ATOM 178 CA LEU A 14 -9.206 -6.513 3.778 1.00 0.00 C ATOM 179 C LEU A 14 -9.223 -5.548 4.959 1.00 0.00 C ATOM 180 O LEU A 14 -9.579 -4.377 4.831 1.00 0.00 O ATOM 181 CB LEU A 14 -7.841 -6.468 3.089 1.00 0.00 C ATOM 182 CG LEU A 14 -7.714 -7.279 1.798 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.481 -6.849 1.017 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.660 -8.768 2.107 1.00 0.00 C ATOM 0 H LEU A 14 -9.932 -5.797 1.946 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.384 -7.521 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.603 -5.428 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.089 -6.823 3.793 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.593 -7.088 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.407 -7.436 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.561 -5.792 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.591 -7.010 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.570 -9.330 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.799 -8.977 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.573 -9.066 2.623 1.00 0.00 H new ATOM 196 N PRO A 15 -8.828 -6.050 6.139 1.00 0.00 N ATOM 197 CA PRO A 15 -8.787 -5.248 7.366 1.00 0.00 C ATOM 198 C PRO A 15 -7.685 -4.195 7.334 1.00 0.00 C ATOM 199 O PRO A 15 -6.616 -4.419 6.767 1.00 0.00 O ATOM 200 CB PRO A 15 -8.504 -6.284 8.457 1.00 0.00 C ATOM 201 CG PRO A 15 -7.808 -7.397 7.752 1.00 0.00 C ATOM 202 CD PRO A 15 -8.390 -7.437 6.366 1.00 0.00 C ATOM 0 HA PRO A 15 -9.710 -4.689 7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.881 -5.866 9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.426 -6.628 8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.732 -7.226 7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.964 -8.344 8.268 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.651 -7.751 5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.223 -8.137 6.300 1.00 0.00 H new ATOM 210 N ALA A 16 -7.952 -3.046 7.946 1.00 0.00 N ATOM 211 CA ALA A 16 -6.982 -1.959 7.989 1.00 0.00 C ATOM 212 C ALA A 16 -5.600 -2.472 8.377 1.00 0.00 C ATOM 213 O ALA A 16 -4.649 -2.365 7.603 1.00 0.00 O ATOM 214 CB ALA A 16 -7.439 -0.882 8.961 1.00 0.00 C ATOM 0 H ALA A 16 -8.833 -2.844 8.419 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.913 -1.527 6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.705 -0.076 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.402 -0.486 8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.538 -1.310 9.958 1.00 0.00 H new ATOM 220 N GLU A 17 -5.496 -3.030 9.579 1.00 0.00 N ATOM 221 CA GLU A 17 -4.229 -3.558 10.069 1.00 0.00 C ATOM 222 C GLU A 17 -3.431 -4.196 8.935 1.00 0.00 C ATOM 223 O GLU A 17 -2.256 -3.886 8.737 1.00 0.00 O ATOM 224 CB GLU A 17 -4.473 -4.586 11.176 1.00 0.00 C ATOM 225 CG GLU A 17 -5.338 -5.756 10.741 1.00 0.00 C ATOM 226 CD GLU A 17 -5.797 -6.608 11.908 1.00 0.00 C ATOM 227 OE1 GLU A 17 -4.929 -7.135 12.635 1.00 0.00 O ATOM 228 OE2 GLU A 17 -7.024 -6.748 12.096 1.00 0.00 O ATOM 0 H GLU A 17 -6.274 -3.128 10.231 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.651 -2.728 10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.513 -4.965 11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.947 -4.090 12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.210 -5.379 10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.778 -6.376 10.041 1.00 0.00 H new ATOM 235 N SER A 18 -4.077 -5.090 8.194 1.00 0.00 N ATOM 236 CA SER A 18 -3.428 -5.776 7.083 1.00 0.00 C ATOM 237 C SER A 18 -3.127 -4.804 5.946 1.00 0.00 C ATOM 238 O SER A 18 -2.010 -4.760 5.431 1.00 0.00 O ATOM 239 CB SER A 18 -4.311 -6.917 6.574 1.00 0.00 C ATOM 240 OG SER A 18 -5.431 -6.417 5.864 1.00 0.00 O ATOM 0 H SER A 18 -5.050 -5.357 8.343 1.00 0.00 H new ATOM 0 HA SER A 18 -2.486 -6.189 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.728 -7.571 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.650 -7.522 7.415 1.00 0.00 H new ATOM 0 HG SER A 18 -5.994 -5.892 6.470 1.00 0.00 H new ATOM 246 N VAL A 19 -4.133 -4.026 5.560 1.00 0.00 N ATOM 247 CA VAL A 19 -3.978 -3.053 4.485 1.00 0.00 C ATOM 248 C VAL A 19 -2.700 -2.240 4.660 1.00 0.00 C ATOM 249 O VAL A 19 -1.934 -2.055 3.714 1.00 0.00 O ATOM 250 CB VAL A 19 -5.180 -2.093 4.419 1.00 0.00 C ATOM 251 CG1 VAL A 19 -4.941 -1.008 3.380 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.458 -2.859 4.116 1.00 0.00 C ATOM 0 H VAL A 19 -5.064 -4.050 5.976 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.922 -3.616 3.554 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.293 -1.613 5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.801 -0.339 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.049 -0.440 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.801 -1.466 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.297 -2.164 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.359 -3.368 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.636 -3.595 4.900 1.00 0.00 H new ATOM 262 N LYS A 20 -2.476 -1.756 5.877 1.00 0.00 N ATOM 263 CA LYS A 20 -1.290 -0.964 6.178 1.00 0.00 C ATOM 264 C LYS A 20 -0.060 -1.537 5.481 1.00 0.00 C ATOM 265 O LYS A 20 0.745 -0.798 4.914 1.00 0.00 O ATOM 266 CB LYS A 20 -1.055 -0.913 7.690 1.00 0.00 C ATOM 267 CG LYS A 20 0.082 0.006 8.099 1.00 0.00 C ATOM 268 CD LYS A 20 0.623 -0.353 9.472 1.00 0.00 C ATOM 269 CE LYS A 20 1.827 0.501 9.838 1.00 0.00 C ATOM 270 NZ LYS A 20 1.463 1.937 9.991 1.00 0.00 N ATOM 0 H LYS A 20 -3.101 -1.899 6.671 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.457 0.048 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.971 -0.584 8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.844 -1.920 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.884 -0.056 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.267 1.039 8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.160 -0.219 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.904 -1.406 9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.262 0.136 10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.591 0.400 9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.281 2.466 10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.183 2.325 9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.670 2.025 10.658 1.00 0.00 H new ATOM 284 N ILE A 21 0.078 -2.858 5.527 1.00 0.00 N ATOM 285 CA ILE A 21 1.208 -3.530 4.898 1.00 0.00 C ATOM 286 C ILE A 21 1.215 -3.298 3.390 1.00 0.00 C ATOM 287 O ILE A 21 2.259 -3.016 2.800 1.00 0.00 O ATOM 288 CB ILE A 21 1.187 -5.045 5.173 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.453 -5.320 6.654 1.00 0.00 C ATOM 290 CG2 ILE A 21 2.213 -5.756 4.303 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.197 -5.366 7.496 1.00 0.00 C ATOM 0 H ILE A 21 -0.579 -3.484 5.993 1.00 0.00 H new ATOM 0 HA ILE A 21 2.111 -3.103 5.334 1.00 0.00 H new ATOM 0 HB ILE A 21 0.199 -5.431 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.980 -6.269 6.750 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.115 -4.547 7.045 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.186 -6.826 4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.981 -5.583 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.208 -5.369 4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.462 -5.565 8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.320 -4.409 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.457 -6.158 7.131 1.00 0.00 H new ATOM 303 N LEU A 22 0.045 -3.418 2.773 1.00 0.00 N ATOM 304 CA LEU A 22 -0.085 -3.220 1.334 1.00 0.00 C ATOM 305 C LEU A 22 0.060 -1.745 0.972 1.00 0.00 C ATOM 306 O LEU A 22 0.933 -1.371 0.189 1.00 0.00 O ATOM 307 CB LEU A 22 -1.436 -3.746 0.847 1.00 0.00 C ATOM 308 CG LEU A 22 -1.687 -5.240 1.050 1.00 0.00 C ATOM 309 CD1 LEU A 22 -3.087 -5.614 0.587 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.642 -6.062 0.309 1.00 0.00 C ATOM 0 H LEU A 22 -0.828 -3.652 3.247 1.00 0.00 H new ATOM 0 HA LEU A 22 0.713 -3.776 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.224 -3.193 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.528 -3.524 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.607 -5.461 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.248 -6.681 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.823 -5.051 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.195 -5.378 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.836 -7.123 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.690 -5.837 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.350 -5.815 0.687 1.00 0.00 H new ATOM 322 N ARG A 23 -0.800 -0.912 1.550 1.00 0.00 N ATOM 323 CA ARG A 23 -0.767 0.522 1.289 1.00 0.00 C ATOM 324 C ARG A 23 0.659 1.057 1.373 1.00 0.00 C ATOM 325 O ARG A 23 1.157 1.677 0.433 1.00 0.00 O ATOM 326 CB ARG A 23 -1.661 1.264 2.284 1.00 0.00 C ATOM 327 CG ARG A 23 -3.097 1.423 1.811 1.00 0.00 C ATOM 328 CD ARG A 23 -3.811 2.534 2.564 1.00 0.00 C ATOM 329 NE ARG A 23 -3.425 3.858 2.083 1.00 0.00 N ATOM 330 CZ ARG A 23 -3.544 4.966 2.805 1.00 0.00 C ATOM 331 NH1 ARG A 23 -4.036 4.910 4.035 1.00 0.00 N ATOM 332 NH2 ARG A 23 -3.170 6.134 2.298 1.00 0.00 N ATOM 0 H ARG A 23 -1.528 -1.206 2.202 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.141 0.691 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.657 0.728 3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.238 2.251 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.108 1.641 0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.633 0.484 1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.889 2.410 2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.585 2.455 3.627 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.043 3.936 1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.324 4.014 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.126 5.763 4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.791 6.181 1.352 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.262 6.984 2.854 1.00 0.00 H new ATOM 346 N ASP A 24 1.311 0.814 2.505 1.00 0.00 N ATOM 347 CA ASP A 24 2.680 1.271 2.713 1.00 0.00 C ATOM 348 C ASP A 24 3.511 1.092 1.446 1.00 0.00 C ATOM 349 O ASP A 24 4.284 1.972 1.069 1.00 0.00 O ATOM 350 CB ASP A 24 3.325 0.509 3.872 1.00 0.00 C ATOM 351 CG ASP A 24 4.513 1.245 4.459 1.00 0.00 C ATOM 352 OD1 ASP A 24 5.557 1.322 3.779 1.00 0.00 O ATOM 353 OD2 ASP A 24 4.399 1.743 5.598 1.00 0.00 O ATOM 0 H ASP A 24 0.913 0.303 3.293 1.00 0.00 H new ATOM 0 HA ASP A 24 2.649 2.332 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.582 0.344 4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.646 -0.473 3.524 1.00 0.00 H new ATOM 358 N TRP A 25 3.345 -0.053 0.793 1.00 0.00 N ATOM 359 CA TRP A 25 4.081 -0.348 -0.431 1.00 0.00 C ATOM 360 C TRP A 25 3.463 0.372 -1.624 1.00 0.00 C ATOM 361 O TRP A 25 4.174 0.920 -2.466 1.00 0.00 O ATOM 362 CB TRP A 25 4.104 -1.856 -0.686 1.00 0.00 C ATOM 363 CG TRP A 25 4.760 -2.230 -1.981 1.00 0.00 C ATOM 364 CD1 TRP A 25 6.024 -2.719 -2.148 1.00 0.00 C ATOM 365 CD2 TRP A 25 4.185 -2.143 -3.289 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.270 -2.941 -3.481 1.00 0.00 N ATOM 367 CE2 TRP A 25 5.157 -2.597 -4.202 1.00 0.00 C ATOM 368 CE3 TRP A 25 2.943 -1.729 -3.778 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.924 -2.645 -5.574 1.00 0.00 C ATOM 370 CZ3 TRP A 25 2.714 -1.777 -5.140 1.00 0.00 C ATOM 371 CH2 TRP A 25 3.700 -2.233 -6.025 1.00 0.00 C ATOM 0 H TRP A 25 2.708 -0.792 1.091 1.00 0.00 H new ATOM 0 HA TRP A 25 5.104 0.008 -0.305 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.628 -2.348 0.134 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.081 -2.233 -0.683 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.727 -2.904 -1.349 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.140 -3.303 -3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.176 -1.378 -3.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.683 -2.995 -6.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.758 -1.458 -5.529 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.490 -2.260 -7.084 1.00 0.00 H new ATOM 382 N MET A 26 2.136 0.367 -1.691 1.00 0.00 N ATOM 383 CA MET A 26 1.423 1.021 -2.781 1.00 0.00 C ATOM 384 C MET A 26 1.794 2.499 -2.864 1.00 0.00 C ATOM 385 O MET A 26 1.611 3.137 -3.901 1.00 0.00 O ATOM 386 CB MET A 26 -0.088 0.874 -2.593 1.00 0.00 C ATOM 387 CG MET A 26 -0.906 1.544 -3.685 1.00 0.00 C ATOM 388 SD MET A 26 -2.678 1.496 -3.356 1.00 0.00 S ATOM 389 CE MET A 26 -3.282 0.740 -4.863 1.00 0.00 C ATOM 0 H MET A 26 1.533 -0.083 -1.003 1.00 0.00 H new ATOM 0 HA MET A 26 1.715 0.537 -3.713 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.340 -0.186 -2.561 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.369 1.298 -1.629 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.588 2.581 -3.787 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.704 1.054 -4.637 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.241 0.259 -4.670 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.408 1.505 -5.629 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.566 -0.005 -5.209 1.00 0.00 H new ATOM 399 N TYR A 27 2.317 3.035 -1.768 1.00 0.00 N ATOM 400 CA TYR A 27 2.712 4.437 -1.716 1.00 0.00 C ATOM 401 C TYR A 27 4.041 4.656 -2.433 1.00 0.00 C ATOM 402 O TYR A 27 4.157 5.520 -3.302 1.00 0.00 O ATOM 403 CB TYR A 27 2.821 4.906 -0.264 1.00 0.00 C ATOM 404 CG TYR A 27 3.043 6.394 -0.123 1.00 0.00 C ATOM 405 CD1 TYR A 27 2.120 7.305 -0.622 1.00 0.00 C ATOM 406 CD2 TYR A 27 4.175 6.890 0.512 1.00 0.00 C ATOM 407 CE1 TYR A 27 2.320 8.666 -0.496 1.00 0.00 C ATOM 408 CE2 TYR A 27 4.382 8.250 0.644 1.00 0.00 C ATOM 409 CZ TYR A 27 3.452 9.134 0.138 1.00 0.00 C ATOM 410 OH TYR A 27 3.654 10.489 0.267 1.00 0.00 O ATOM 0 H TYR A 27 2.478 2.519 -0.903 1.00 0.00 H new ATOM 0 HA TYR A 27 1.945 5.022 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.910 4.631 0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.643 4.377 0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.231 6.943 -1.117 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.906 6.201 0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.594 9.360 -0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.267 8.619 1.141 1.00 0.00 H new ATOM 0 HH TYR A 27 4.498 10.651 0.739 1.00 0.00 H new ATOM 420 N LYS A 28 5.043 3.865 -2.063 1.00 0.00 N ATOM 421 CA LYS A 28 6.364 3.969 -2.670 1.00 0.00 C ATOM 422 C LYS A 28 6.302 3.662 -4.163 1.00 0.00 C ATOM 423 O LYS A 28 6.869 4.389 -4.980 1.00 0.00 O ATOM 424 CB LYS A 28 7.340 3.011 -1.982 1.00 0.00 C ATOM 425 CG LYS A 28 7.340 3.127 -0.468 1.00 0.00 C ATOM 426 CD LYS A 28 8.150 2.014 0.176 1.00 0.00 C ATOM 427 CE LYS A 28 9.606 2.416 0.355 1.00 0.00 C ATOM 428 NZ LYS A 28 10.410 1.328 0.977 1.00 0.00 N ATOM 0 H LYS A 28 4.965 3.145 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 28 6.717 4.992 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.088 1.988 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.347 3.203 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.751 4.093 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.315 3.092 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.719 1.763 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.092 1.117 -0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.033 2.674 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.662 3.310 0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.396 1.641 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.018 1.098 1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.378 0.483 0.372 1.00 0.00 H new ATOM 442 N HIS A 29 5.610 2.583 -4.513 1.00 0.00 N ATOM 443 CA HIS A 29 5.472 2.182 -5.909 1.00 0.00 C ATOM 444 C HIS A 29 4.213 2.783 -6.525 1.00 0.00 C ATOM 445 O HIS A 29 3.882 2.508 -7.679 1.00 0.00 O ATOM 446 CB HIS A 29 5.432 0.658 -6.022 1.00 0.00 C ATOM 447 CG HIS A 29 6.540 -0.027 -5.283 1.00 0.00 C ATOM 448 ND1 HIS A 29 6.754 -0.184 -3.956 1.00 0.00 N flip ATOM 449 CD2 HIS A 29 7.595 -0.650 -5.916 1.00 0.00 C flip ATOM 450 CE1 HIS A 29 7.922 -0.892 -3.813 1.00 0.00 C flip ATOM 451 NE2 HIS A 29 8.409 -1.161 -5.011 1.00 0.00 N flip ATOM 0 H HIS A 29 5.136 1.970 -3.850 1.00 0.00 H new ATOM 0 HA HIS A 29 6.337 2.557 -6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.476 0.299 -5.641 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.481 0.379 -7.074 1.00 0.00 H new ATOM 0 HD1 HIS A 29 6.159 0.160 -3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.734 -0.710 -6.985 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.370 -1.182 -2.874 1.00 0.00 H new ATOM 460 N ARG A 30 3.514 3.604 -5.748 1.00 0.00 N ATOM 461 CA ARG A 30 2.290 4.243 -6.218 1.00 0.00 C ATOM 462 C ARG A 30 2.405 4.622 -7.691 1.00 0.00 C ATOM 463 O ARG A 30 1.412 4.631 -8.420 1.00 0.00 O ATOM 464 CB ARG A 30 1.986 5.487 -5.382 1.00 0.00 C ATOM 465 CG ARG A 30 2.907 6.660 -5.678 1.00 0.00 C ATOM 466 CD ARG A 30 2.621 7.838 -4.760 1.00 0.00 C ATOM 467 NE ARG A 30 3.817 8.638 -4.508 1.00 0.00 N ATOM 468 CZ ARG A 30 4.327 9.493 -5.387 1.00 0.00 C ATOM 469 NH1 ARG A 30 3.748 9.660 -6.568 1.00 0.00 N ATOM 470 NH2 ARG A 30 5.418 10.185 -5.085 1.00 0.00 N ATOM 0 H ARG A 30 3.774 3.842 -4.791 1.00 0.00 H new ATOM 0 HA ARG A 30 1.472 3.531 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.955 5.792 -5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.064 5.232 -4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.945 6.348 -5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.784 6.968 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.851 8.467 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.224 7.472 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 30 4.286 8.534 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.908 9.131 -6.804 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.142 10.317 -7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.866 10.061 -4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.809 10.841 -5.761 1.00 0.00 H new ATOM 484 N PHE A 31 3.622 4.935 -8.123 1.00 0.00 N ATOM 485 CA PHE A 31 3.866 5.317 -9.509 1.00 0.00 C ATOM 486 C PHE A 31 3.111 4.400 -10.467 1.00 0.00 C ATOM 487 O PHE A 31 2.477 4.861 -11.416 1.00 0.00 O ATOM 488 CB PHE A 31 5.365 5.271 -9.816 1.00 0.00 C ATOM 489 CG PHE A 31 6.155 6.331 -9.103 1.00 0.00 C ATOM 490 CD1 PHE A 31 5.693 7.636 -9.042 1.00 0.00 C ATOM 491 CD2 PHE A 31 7.361 6.023 -8.494 1.00 0.00 C ATOM 492 CE1 PHE A 31 6.417 8.613 -8.387 1.00 0.00 C ATOM 493 CE2 PHE A 31 8.090 6.996 -7.837 1.00 0.00 C ATOM 494 CZ PHE A 31 7.618 8.293 -7.785 1.00 0.00 C ATOM 0 H PHE A 31 4.454 4.932 -7.534 1.00 0.00 H new ATOM 0 HA PHE A 31 3.504 6.336 -9.648 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.755 4.291 -9.540 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.511 5.381 -10.891 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.755 7.892 -9.512 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.736 5.011 -8.533 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.044 9.626 -8.346 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.028 6.743 -7.365 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.187 9.056 -7.274 1.00 0.00 H new ATOM 504 N LYS A 32 3.186 3.098 -10.212 1.00 0.00 N ATOM 505 CA LYS A 32 2.510 2.115 -11.050 1.00 0.00 C ATOM 506 C LYS A 32 1.381 1.432 -10.284 1.00 0.00 C ATOM 507 O LYS A 32 0.405 0.974 -10.878 1.00 0.00 O ATOM 508 CB LYS A 32 3.508 1.067 -11.549 1.00 0.00 C ATOM 509 CG LYS A 32 4.188 0.295 -10.431 1.00 0.00 C ATOM 510 CD LYS A 32 5.492 0.952 -10.012 1.00 0.00 C ATOM 511 CE LYS A 32 6.613 0.641 -10.991 1.00 0.00 C ATOM 512 NZ LYS A 32 7.901 1.263 -10.576 1.00 0.00 N ATOM 0 H LYS A 32 3.708 2.699 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 32 2.082 2.637 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.989 0.364 -12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.269 1.561 -12.154 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.519 0.232 -9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.383 -0.726 -10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.353 2.031 -9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.771 0.607 -9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.739 -0.439 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.339 1.001 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.640 1.027 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.788 2.296 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.176 0.901 -9.641 1.00 0.00 H new ATOM 526 N ALA A 33 1.520 1.370 -8.964 1.00 0.00 N ATOM 527 CA ALA A 33 0.510 0.747 -8.118 1.00 0.00 C ATOM 528 C ALA A 33 0.174 -0.658 -8.607 1.00 0.00 C ATOM 529 O ALA A 33 -0.931 -1.155 -8.388 1.00 0.00 O ATOM 530 CB ALA A 33 -0.745 1.606 -8.074 1.00 0.00 C ATOM 0 H ALA A 33 2.322 1.744 -8.457 1.00 0.00 H new ATOM 0 HA ALA A 33 0.917 0.665 -7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.491 1.128 -7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.500 2.588 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.145 1.718 -9.082 1.00 0.00 H new ATOM 536 N TYR A 34 1.133 -1.292 -9.272 1.00 0.00 N ATOM 537 CA TYR A 34 0.938 -2.639 -9.795 1.00 0.00 C ATOM 538 C TYR A 34 2.102 -3.547 -9.412 1.00 0.00 C ATOM 539 O TYR A 34 3.107 -3.643 -10.118 1.00 0.00 O ATOM 540 CB TYR A 34 0.786 -2.601 -11.317 1.00 0.00 C ATOM 541 CG TYR A 34 -0.558 -2.085 -11.779 1.00 0.00 C ATOM 542 CD1 TYR A 34 -1.725 -2.790 -11.508 1.00 0.00 C ATOM 543 CD2 TYR A 34 -0.663 -0.894 -12.486 1.00 0.00 C ATOM 544 CE1 TYR A 34 -2.955 -2.324 -11.929 1.00 0.00 C ATOM 545 CE2 TYR A 34 -1.889 -0.419 -12.909 1.00 0.00 C ATOM 546 CZ TYR A 34 -3.032 -1.137 -12.628 1.00 0.00 C ATOM 547 OH TYR A 34 -4.256 -0.668 -13.049 1.00 0.00 O ATOM 0 H TYR A 34 2.053 -0.895 -9.462 1.00 0.00 H new ATOM 0 HA TYR A 34 0.026 -3.043 -9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.571 -1.972 -11.736 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.936 -3.605 -11.714 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.669 -3.718 -10.959 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.230 -0.329 -12.709 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.852 -2.886 -11.712 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.952 0.510 -13.457 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.970 -1.148 -12.580 1.00 0.00 H new ATOM 557 N PRO A 35 1.965 -4.231 -8.267 1.00 0.00 N ATOM 558 CA PRO A 35 2.995 -5.145 -7.763 1.00 0.00 C ATOM 559 C PRO A 35 3.120 -6.404 -8.614 1.00 0.00 C ATOM 560 O PRO A 35 2.240 -6.711 -9.418 1.00 0.00 O ATOM 561 CB PRO A 35 2.500 -5.497 -6.357 1.00 0.00 C ATOM 562 CG PRO A 35 1.024 -5.300 -6.415 1.00 0.00 C ATOM 563 CD PRO A 35 0.795 -4.166 -7.375 1.00 0.00 C ATOM 0 HA PRO A 35 3.986 -4.691 -7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.752 -6.524 -6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.956 -4.854 -5.604 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.522 -6.206 -6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.623 -5.064 -5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.137 -4.288 -7.926 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.737 -3.208 -6.858 1.00 0.00 H new ATOM 571 N SER A 36 4.218 -7.130 -8.431 1.00 0.00 N ATOM 572 CA SER A 36 4.459 -8.355 -9.185 1.00 0.00 C ATOM 573 C SER A 36 4.174 -9.585 -8.329 1.00 0.00 C ATOM 574 O SER A 36 4.324 -9.552 -7.108 1.00 0.00 O ATOM 575 CB SER A 36 5.903 -8.393 -9.689 1.00 0.00 C ATOM 576 OG SER A 36 6.175 -9.607 -10.366 1.00 0.00 O ATOM 0 H SER A 36 4.955 -6.891 -7.767 1.00 0.00 H new ATOM 0 HA SER A 36 3.783 -8.365 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.080 -7.552 -10.359 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.588 -8.280 -8.849 1.00 0.00 H new ATOM 0 HG SER A 36 7.103 -9.606 -10.680 1.00 0.00 H new ATOM 582 N GLU A 37 3.763 -10.669 -8.979 1.00 0.00 N ATOM 583 CA GLU A 37 3.457 -11.910 -8.278 1.00 0.00 C ATOM 584 C GLU A 37 4.403 -12.116 -7.098 1.00 0.00 C ATOM 585 O GLU A 37 4.032 -12.715 -6.090 1.00 0.00 O ATOM 586 CB GLU A 37 3.550 -13.100 -9.235 1.00 0.00 C ATOM 587 CG GLU A 37 2.283 -13.335 -10.039 1.00 0.00 C ATOM 588 CD GLU A 37 2.477 -14.348 -11.151 1.00 0.00 C ATOM 589 OE1 GLU A 37 2.473 -15.561 -10.855 1.00 0.00 O ATOM 590 OE2 GLU A 37 2.633 -13.928 -12.317 1.00 0.00 O ATOM 0 H GLU A 37 3.634 -10.713 -9.990 1.00 0.00 H new ATOM 0 HA GLU A 37 2.438 -11.840 -7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.381 -12.939 -9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.779 -13.999 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.493 -13.680 -9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.949 -12.390 -10.468 1.00 0.00 H new ATOM 597 N GLU A 38 5.627 -11.616 -7.235 1.00 0.00 N ATOM 598 CA GLU A 38 6.627 -11.747 -6.182 1.00 0.00 C ATOM 599 C GLU A 38 6.347 -10.772 -5.041 1.00 0.00 C ATOM 600 O GLU A 38 6.334 -11.156 -3.872 1.00 0.00 O ATOM 601 CB GLU A 38 8.028 -11.501 -6.745 1.00 0.00 C ATOM 602 CG GLU A 38 8.618 -12.706 -7.459 1.00 0.00 C ATOM 603 CD GLU A 38 9.790 -12.341 -8.349 1.00 0.00 C ATOM 604 OE1 GLU A 38 10.734 -11.694 -7.850 1.00 0.00 O ATOM 605 OE2 GLU A 38 9.762 -12.701 -9.544 1.00 0.00 O ATOM 0 H GLU A 38 5.950 -11.117 -8.064 1.00 0.00 H new ATOM 0 HA GLU A 38 6.574 -12.763 -5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.989 -10.661 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.692 -11.211 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.942 -13.439 -6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.844 -13.182 -8.061 1.00 0.00 H new ATOM 612 N GLU A 39 6.123 -9.509 -5.392 1.00 0.00 N ATOM 613 CA GLU A 39 5.845 -8.479 -4.398 1.00 0.00 C ATOM 614 C GLU A 39 4.634 -8.856 -3.548 1.00 0.00 C ATOM 615 O GLU A 39 4.711 -8.898 -2.320 1.00 0.00 O ATOM 616 CB GLU A 39 5.603 -7.132 -5.081 1.00 0.00 C ATOM 617 CG GLU A 39 6.755 -6.682 -5.964 1.00 0.00 C ATOM 618 CD GLU A 39 6.729 -5.191 -6.241 1.00 0.00 C ATOM 619 OE1 GLU A 39 7.124 -4.414 -5.346 1.00 0.00 O ATOM 620 OE2 GLU A 39 6.315 -4.802 -7.353 1.00 0.00 O ATOM 0 H GLU A 39 6.129 -9.175 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 39 6.714 -8.396 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.698 -7.198 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.423 -6.374 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.699 -6.942 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.717 -7.224 -6.909 1.00 0.00 H new ATOM 627 N LYS A 40 3.515 -9.129 -4.212 1.00 0.00 N ATOM 628 CA LYS A 40 2.287 -9.503 -3.521 1.00 0.00 C ATOM 629 C LYS A 40 2.545 -10.627 -2.523 1.00 0.00 C ATOM 630 O LYS A 40 2.363 -10.453 -1.318 1.00 0.00 O ATOM 631 CB LYS A 40 1.222 -9.937 -4.530 1.00 0.00 C ATOM 632 CG LYS A 40 1.366 -9.275 -5.889 1.00 0.00 C ATOM 633 CD LYS A 40 0.057 -9.294 -6.661 1.00 0.00 C ATOM 634 CE LYS A 40 0.257 -8.875 -8.109 1.00 0.00 C ATOM 635 NZ LYS A 40 -0.980 -9.060 -8.916 1.00 0.00 N ATOM 0 H LYS A 40 3.434 -9.098 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 40 1.927 -8.631 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.271 -11.019 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.236 -9.708 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.698 -8.245 -5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.136 -9.788 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.372 -10.295 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.658 -8.625 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.561 -7.829 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.067 -9.458 -8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.760 -8.927 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.352 -10.020 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.694 -8.363 -8.622 1.00 0.00 H new ATOM 649 N GLN A 41 2.972 -11.778 -3.032 1.00 0.00 N ATOM 650 CA GLN A 41 3.255 -12.930 -2.184 1.00 0.00 C ATOM 651 C GLN A 41 4.009 -12.508 -0.927 1.00 0.00 C ATOM 652 O GLN A 41 3.662 -12.914 0.181 1.00 0.00 O ATOM 653 CB GLN A 41 4.069 -13.970 -2.956 1.00 0.00 C ATOM 654 CG GLN A 41 3.837 -15.397 -2.484 1.00 0.00 C ATOM 655 CD GLN A 41 4.214 -15.598 -1.030 1.00 0.00 C ATOM 656 OE1 GLN A 41 3.240 -15.449 -0.139 1.00 0.00 O flip ATOM 657 NE2 GLN A 41 5.367 -15.885 -0.709 1.00 0.00 N flip ATOM 0 H GLN A 41 3.130 -11.938 -4.027 1.00 0.00 H new ATOM 0 HA GLN A 41 2.305 -13.372 -1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.820 -13.901 -4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.129 -13.733 -2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.787 -15.655 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.418 -16.080 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.085 -15.990 -1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.605 -16.018 0.274 1.00 0.00 H new ATOM 666 N MET A 42 5.042 -11.692 -1.109 1.00 0.00 N ATOM 667 CA MET A 42 5.845 -11.215 0.011 1.00 0.00 C ATOM 668 C MET A 42 4.967 -10.537 1.059 1.00 0.00 C ATOM 669 O MET A 42 5.155 -10.730 2.260 1.00 0.00 O ATOM 670 CB MET A 42 6.917 -10.241 -0.480 1.00 0.00 C ATOM 671 CG MET A 42 7.451 -9.325 0.609 1.00 0.00 C ATOM 672 SD MET A 42 8.521 -8.026 -0.039 1.00 0.00 S ATOM 673 CE MET A 42 7.325 -6.988 -0.876 1.00 0.00 C ATOM 0 H MET A 42 5.343 -11.347 -2.021 1.00 0.00 H new ATOM 0 HA MET A 42 6.330 -12.076 0.470 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.745 -10.809 -0.904 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.503 -9.633 -1.284 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.614 -8.870 1.139 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.005 -9.917 1.337 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.595 -6.898 -1.928 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.334 -7.435 -0.793 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.317 -5.999 -0.417 1.00 0.00 H new ATOM 683 N LEU A 43 4.009 -9.741 0.596 1.00 0.00 N ATOM 684 CA LEU A 43 3.102 -9.034 1.493 1.00 0.00 C ATOM 685 C LEU A 43 2.065 -9.985 2.081 1.00 0.00 C ATOM 686 O LEU A 43 1.699 -9.875 3.251 1.00 0.00 O ATOM 687 CB LEU A 43 2.402 -7.895 0.749 1.00 0.00 C ATOM 688 CG LEU A 43 3.314 -6.918 0.007 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.596 -6.325 -1.195 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.790 -5.816 0.943 1.00 0.00 C ATOM 0 H LEU A 43 3.841 -9.569 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 43 3.691 -8.618 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.708 -8.330 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.806 -7.331 1.467 1.00 0.00 H new ATOM 0 HG LEU A 43 4.186 -7.466 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.261 -5.632 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.306 -7.125 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.706 -5.793 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.438 -5.130 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.929 -5.271 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.344 -6.257 1.772 1.00 0.00 H new ATOM 702 N SER A 44 1.597 -10.921 1.262 1.00 0.00 N ATOM 703 CA SER A 44 0.601 -11.892 1.700 1.00 0.00 C ATOM 704 C SER A 44 1.032 -12.564 3.000 1.00 0.00 C ATOM 705 O SER A 44 0.197 -12.981 3.801 1.00 0.00 O ATOM 706 CB SER A 44 0.376 -12.949 0.616 1.00 0.00 C ATOM 707 OG SER A 44 -0.094 -14.162 1.177 1.00 0.00 O ATOM 0 H SER A 44 1.891 -11.028 0.291 1.00 0.00 H new ATOM 0 HA SER A 44 -0.334 -11.361 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.344 -12.579 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.308 -13.129 0.080 1.00 0.00 H new ATOM 0 HG SER A 44 -1.073 -14.182 1.140 1.00 0.00 H new ATOM 713 N GLU A 45 2.343 -12.664 3.200 1.00 0.00 N ATOM 714 CA GLU A 45 2.885 -13.286 4.402 1.00 0.00 C ATOM 715 C GLU A 45 2.722 -12.369 5.611 1.00 0.00 C ATOM 716 O GLU A 45 2.491 -12.830 6.729 1.00 0.00 O ATOM 717 CB GLU A 45 4.363 -13.628 4.204 1.00 0.00 C ATOM 718 CG GLU A 45 4.600 -14.753 3.211 1.00 0.00 C ATOM 719 CD GLU A 45 4.617 -16.119 3.869 1.00 0.00 C ATOM 720 OE1 GLU A 45 5.339 -16.283 4.875 1.00 0.00 O ATOM 721 OE2 GLU A 45 3.909 -17.023 3.379 1.00 0.00 O ATOM 0 H GLU A 45 3.048 -12.323 2.546 1.00 0.00 H new ATOM 0 HA GLU A 45 2.328 -14.205 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.891 -12.737 3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.795 -13.906 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.820 -14.731 2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.549 -14.588 2.701 1.00 0.00 H new ATOM 728 N LYS A 46 2.844 -11.066 5.378 1.00 0.00 N ATOM 729 CA LYS A 46 2.710 -10.082 6.446 1.00 0.00 C ATOM 730 C LYS A 46 1.241 -9.775 6.720 1.00 0.00 C ATOM 731 O LYS A 46 0.856 -9.492 7.855 1.00 0.00 O ATOM 732 CB LYS A 46 3.451 -8.795 6.077 1.00 0.00 C ATOM 733 CG LYS A 46 4.961 -8.906 6.200 1.00 0.00 C ATOM 734 CD LYS A 46 5.572 -9.575 4.980 1.00 0.00 C ATOM 735 CE LYS A 46 7.007 -9.122 4.757 1.00 0.00 C ATOM 736 NZ LYS A 46 7.963 -9.859 5.628 1.00 0.00 N ATOM 0 H LYS A 46 3.035 -10.667 4.459 1.00 0.00 H new ATOM 0 HA LYS A 46 3.151 -10.501 7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.197 -8.521 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.101 -7.987 6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.391 -7.912 6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.213 -9.477 7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.546 -10.657 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.975 -9.342 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.277 -9.273 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.085 -8.053 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.930 -9.521 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.721 -9.695 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.907 -10.877 5.421 1.00 0.00 H new ATOM 750 N THR A 47 0.423 -9.832 5.674 1.00 0.00 N ATOM 751 CA THR A 47 -1.003 -9.560 5.802 1.00 0.00 C ATOM 752 C THR A 47 -1.789 -10.846 6.034 1.00 0.00 C ATOM 753 O THR A 47 -2.967 -10.809 6.388 1.00 0.00 O ATOM 754 CB THR A 47 -1.555 -8.853 4.550 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.389 -9.691 3.401 1.00 0.00 O ATOM 756 CG2 THR A 47 -0.848 -7.526 4.322 1.00 0.00 C ATOM 0 H THR A 47 0.724 -10.064 4.728 1.00 0.00 H new ATOM 0 HA THR A 47 -1.123 -8.903 6.663 1.00 0.00 H new ATOM 0 HB THR A 47 -2.616 -8.659 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.442 -9.717 3.149 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.255 -7.045 3.432 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.001 -6.879 5.186 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.219 -7.701 4.184 1.00 0.00 H new ATOM 764 N ASN A 48 -1.130 -11.982 5.832 1.00 0.00 N ATOM 765 CA ASN A 48 -1.768 -13.280 6.020 1.00 0.00 C ATOM 766 C ASN A 48 -2.938 -13.455 5.057 1.00 0.00 C ATOM 767 O ASN A 48 -3.913 -14.140 5.366 1.00 0.00 O ATOM 768 CB ASN A 48 -2.254 -13.428 7.463 1.00 0.00 C ATOM 769 CG ASN A 48 -2.338 -14.879 7.898 1.00 0.00 C ATOM 770 OD1 ASN A 48 -3.351 -15.545 7.683 1.00 0.00 O ATOM 771 ND2 ASN A 48 -1.272 -15.375 8.514 1.00 0.00 N ATOM 0 H ASN A 48 -0.154 -12.030 5.538 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.030 -14.054 5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.578 -12.890 8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.235 -12.964 7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.271 -16.345 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.454 -14.786 8.671 1.00 0.00 H new ATOM 778 N LEU A 49 -2.834 -12.831 3.889 1.00 0.00 N ATOM 779 CA LEU A 49 -3.883 -12.918 2.879 1.00 0.00 C ATOM 780 C LEU A 49 -3.486 -13.877 1.762 1.00 0.00 C ATOM 781 O LEU A 49 -2.432 -14.512 1.821 1.00 0.00 O ATOM 782 CB LEU A 49 -4.175 -11.533 2.298 1.00 0.00 C ATOM 783 CG LEU A 49 -4.475 -10.429 3.312 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.368 -9.060 2.659 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.857 -10.625 3.920 1.00 0.00 C ATOM 0 H LEU A 49 -2.034 -12.259 3.618 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.784 -13.302 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.319 -11.225 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.025 -11.617 1.621 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.736 -10.486 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.585 -8.287 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.359 -8.919 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.084 -8.991 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.054 -9.830 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.609 -10.595 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.899 -11.590 4.425 1.00 0.00 H new ATOM 797 N SER A 50 -4.334 -13.976 0.744 1.00 0.00 N ATOM 798 CA SER A 50 -4.073 -14.859 -0.386 1.00 0.00 C ATOM 799 C SER A 50 -3.645 -14.060 -1.613 1.00 0.00 C ATOM 800 O SER A 50 -4.258 -13.046 -1.953 1.00 0.00 O ATOM 801 CB SER A 50 -5.317 -15.688 -0.712 1.00 0.00 C ATOM 802 OG SER A 50 -5.495 -16.732 0.230 1.00 0.00 O ATOM 0 H SER A 50 -5.209 -13.455 0.679 1.00 0.00 H new ATOM 0 HA SER A 50 -3.260 -15.530 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.196 -15.044 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.225 -16.109 -1.713 1.00 0.00 H new ATOM 0 HG SER A 50 -6.297 -17.246 0.001 1.00 0.00 H new ATOM 808 N LEU A 51 -2.590 -14.522 -2.275 1.00 0.00 N ATOM 809 CA LEU A 51 -2.078 -13.851 -3.465 1.00 0.00 C ATOM 810 C LEU A 51 -3.218 -13.256 -4.286 1.00 0.00 C ATOM 811 O LEU A 51 -3.096 -12.160 -4.835 1.00 0.00 O ATOM 812 CB LEU A 51 -1.274 -14.830 -4.321 1.00 0.00 C ATOM 813 CG LEU A 51 0.208 -14.968 -3.970 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.782 -16.243 -4.568 1.00 0.00 C ATOM 815 CD2 LEU A 51 0.985 -13.753 -4.455 1.00 0.00 C ATOM 0 H LEU A 51 -2.072 -15.359 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.425 -13.040 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.738 -15.813 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.353 -14.520 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 51 0.301 -15.026 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.837 -16.324 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.244 -17.105 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.677 -16.216 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.038 -13.868 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.884 -13.665 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.591 -12.855 -3.979 1.00 0.00 H new ATOM 827 N LEU A 52 -4.326 -13.984 -4.365 1.00 0.00 N ATOM 828 CA LEU A 52 -5.489 -13.528 -5.118 1.00 0.00 C ATOM 829 C LEU A 52 -6.080 -12.267 -4.496 1.00 0.00 C ATOM 830 O LEU A 52 -6.238 -11.248 -5.168 1.00 0.00 O ATOM 831 CB LEU A 52 -6.550 -14.629 -5.173 1.00 0.00 C ATOM 832 CG LEU A 52 -7.881 -14.247 -5.819 1.00 0.00 C ATOM 833 CD1 LEU A 52 -7.672 -13.831 -7.267 1.00 0.00 C ATOM 834 CD2 LEU A 52 -8.868 -15.402 -5.732 1.00 0.00 C ATOM 0 H LEU A 52 -4.444 -14.893 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.165 -13.293 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.136 -15.478 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.747 -14.967 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.296 -13.399 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.631 -13.563 -7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.001 -12.973 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.234 -14.659 -7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.810 -15.111 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.460 -16.269 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.042 -15.654 -4.686 1.00 0.00 H new ATOM 846 N GLN A 53 -6.403 -12.344 -3.209 1.00 0.00 N ATOM 847 CA GLN A 53 -6.975 -11.208 -2.496 1.00 0.00 C ATOM 848 C GLN A 53 -6.051 -9.997 -2.571 1.00 0.00 C ATOM 849 O GLN A 53 -6.509 -8.854 -2.581 1.00 0.00 O ATOM 850 CB GLN A 53 -7.237 -11.575 -1.035 1.00 0.00 C ATOM 851 CG GLN A 53 -8.433 -12.493 -0.843 1.00 0.00 C ATOM 852 CD GLN A 53 -8.825 -12.645 0.614 1.00 0.00 C ATOM 853 OE1 GLN A 53 -9.844 -12.111 1.054 1.00 0.00 O ATOM 854 NE2 GLN A 53 -8.016 -13.376 1.371 1.00 0.00 N ATOM 0 H GLN A 53 -6.278 -13.181 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.921 -10.951 -2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.350 -12.058 -0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.395 -10.661 -0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.281 -12.101 -1.404 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.203 -13.474 -1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.182 -13.800 0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.228 -13.514 2.359 1.00 0.00 H new ATOM 863 N ILE A 54 -4.748 -10.255 -2.623 1.00 0.00 N ATOM 864 CA ILE A 54 -3.760 -9.186 -2.697 1.00 0.00 C ATOM 865 C ILE A 54 -3.885 -8.413 -4.005 1.00 0.00 C ATOM 866 O ILE A 54 -4.178 -7.217 -4.006 1.00 0.00 O ATOM 867 CB ILE A 54 -2.327 -9.735 -2.572 1.00 0.00 C ATOM 868 CG1 ILE A 54 -2.168 -10.517 -1.267 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.317 -8.599 -2.641 1.00 0.00 C ATOM 870 CD1 ILE A 54 -2.150 -9.640 -0.035 1.00 0.00 C ATOM 0 H ILE A 54 -4.352 -11.195 -2.615 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.957 -8.515 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.140 -10.413 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.985 -11.234 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.243 -11.091 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.309 -9.003 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.417 -8.081 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.501 -7.898 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.035 -10.262 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.317 -8.940 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.086 -9.085 0.030 1.00 0.00 H new ATOM 882 N SER A 55 -3.662 -9.104 -5.119 1.00 0.00 N ATOM 883 CA SER A 55 -3.748 -8.482 -6.435 1.00 0.00 C ATOM 884 C SER A 55 -5.077 -7.754 -6.606 1.00 0.00 C ATOM 885 O SER A 55 -5.110 -6.568 -6.933 1.00 0.00 O ATOM 886 CB SER A 55 -3.585 -9.536 -7.532 1.00 0.00 C ATOM 887 OG SER A 55 -4.601 -10.520 -7.448 1.00 0.00 O ATOM 0 H SER A 55 -3.420 -10.095 -5.136 1.00 0.00 H new ATOM 0 HA SER A 55 -2.942 -7.753 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.619 -9.056 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.607 -10.010 -7.443 1.00 0.00 H new ATOM 0 HG SER A 55 -4.476 -11.181 -8.160 1.00 0.00 H new ATOM 893 N ASN A 56 -6.172 -8.474 -6.383 1.00 0.00 N ATOM 894 CA ASN A 56 -7.505 -7.898 -6.514 1.00 0.00 C ATOM 895 C ASN A 56 -7.608 -6.584 -5.744 1.00 0.00 C ATOM 896 O ASN A 56 -7.928 -5.542 -6.315 1.00 0.00 O ATOM 897 CB ASN A 56 -8.561 -8.883 -6.007 1.00 0.00 C ATOM 898 CG ASN A 56 -8.937 -9.915 -7.052 1.00 0.00 C ATOM 899 OD1 ASN A 56 -8.143 -10.975 -7.149 1.00 0.00 O flip ATOM 900 ND2 ASN A 56 -9.930 -9.762 -7.763 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.162 -9.457 -6.111 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.684 -7.695 -7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.184 -9.390 -5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.453 -8.333 -5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.512 -8.932 -7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.171 -10.466 -8.461 1.00 0.00 H new ATOM 907 N TRP A 57 -7.335 -6.643 -4.446 1.00 0.00 N ATOM 908 CA TRP A 57 -7.396 -5.458 -3.597 1.00 0.00 C ATOM 909 C TRP A 57 -6.751 -4.261 -4.287 1.00 0.00 C ATOM 910 O TRP A 57 -7.356 -3.195 -4.396 1.00 0.00 O ATOM 911 CB TRP A 57 -6.703 -5.727 -2.261 1.00 0.00 C ATOM 912 CG TRP A 57 -6.464 -4.485 -1.456 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.329 -3.898 -0.578 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.281 -3.678 -1.457 1.00 0.00 C ATOM 915 NE1 TRP A 57 -6.757 -2.774 -0.033 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.500 -2.618 -0.555 1.00 0.00 C ATOM 917 CE3 TRP A 57 -4.059 -3.748 -2.130 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.541 -1.638 -0.312 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.108 -2.774 -1.888 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.353 -1.731 -0.985 1.00 0.00 C ATOM 0 H TRP A 57 -7.069 -7.498 -3.958 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.445 -5.226 -3.414 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.311 -6.419 -1.677 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.749 -6.220 -2.447 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.318 -4.264 -0.346 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.197 -2.156 0.649 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.861 -4.549 -2.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -4.728 -0.833 0.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.160 -2.818 -2.404 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.589 -0.986 -0.817 1.00 0.00 H new ATOM 931 N PHE A 58 -5.519 -4.445 -4.752 1.00 0.00 N ATOM 932 CA PHE A 58 -4.792 -3.378 -5.431 1.00 0.00 C ATOM 933 C PHE A 58 -5.642 -2.760 -6.537 1.00 0.00 C ATOM 934 O PHE A 58 -5.645 -1.542 -6.725 1.00 0.00 O ATOM 935 CB PHE A 58 -3.485 -3.917 -6.017 1.00 0.00 C ATOM 936 CG PHE A 58 -2.316 -3.801 -5.081 1.00 0.00 C ATOM 937 CD1 PHE A 58 -1.562 -2.640 -5.034 1.00 0.00 C ATOM 938 CD2 PHE A 58 -1.973 -4.853 -4.248 1.00 0.00 C ATOM 939 CE1 PHE A 58 -0.485 -2.532 -4.174 1.00 0.00 C ATOM 940 CE2 PHE A 58 -0.897 -4.751 -3.385 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.153 -3.588 -3.348 1.00 0.00 C ATOM 0 H PHE A 58 -5.004 -5.322 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.562 -2.604 -4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.622 -4.964 -6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.259 -3.378 -6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.818 -1.810 -5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.553 -5.764 -4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.097 -1.622 -4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.639 -5.579 -2.741 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.687 -3.504 -2.674 1.00 0.00 H new ATOM 951 N ILE A 59 -6.360 -3.606 -7.267 1.00 0.00 N ATOM 952 CA ILE A 59 -7.214 -3.143 -8.354 1.00 0.00 C ATOM 953 C ILE A 59 -8.087 -1.975 -7.908 1.00 0.00 C ATOM 954 O ILE A 59 -7.859 -0.832 -8.300 1.00 0.00 O ATOM 955 CB ILE A 59 -8.118 -4.274 -8.881 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.272 -5.473 -9.313 1.00 0.00 C ATOM 957 CG2 ILE A 59 -8.970 -3.775 -10.038 1.00 0.00 C ATOM 958 CD1 ILE A 59 -8.093 -6.675 -9.723 1.00 0.00 C ATOM 0 H ILE A 59 -6.368 -4.616 -7.126 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.553 -2.814 -9.156 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.782 -4.593 -8.078 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.635 -5.177 -10.147 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.612 -5.756 -8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.603 -4.585 -10.400 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.596 -2.949 -9.699 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.323 -3.433 -10.845 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.428 -7.487 -10.017 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.710 -6.997 -8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.734 -6.408 -10.564 1.00 0.00 H new ATOM 970 N ASN A 60 -9.086 -2.272 -7.084 1.00 0.00 N ATOM 971 CA ASN A 60 -9.994 -1.246 -6.583 1.00 0.00 C ATOM 972 C ASN A 60 -9.245 -0.229 -5.726 1.00 0.00 C ATOM 973 O ASN A 60 -9.505 0.971 -5.800 1.00 0.00 O ATOM 974 CB ASN A 60 -11.120 -1.885 -5.768 1.00 0.00 C ATOM 975 CG ASN A 60 -11.689 -3.121 -6.439 1.00 0.00 C ATOM 976 OD1 ASN A 60 -11.371 -4.248 -6.060 1.00 0.00 O ATOM 977 ND2 ASN A 60 -12.534 -2.914 -7.441 1.00 0.00 N ATOM 0 H ASN A 60 -9.288 -3.214 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.424 -0.727 -7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.744 -2.152 -4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.917 -1.156 -5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.948 -3.707 -7.931 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.769 -1.962 -7.721 1.00 0.00 H new ATOM 984 N ALA A 61 -8.315 -0.720 -4.913 1.00 0.00 N ATOM 985 CA ALA A 61 -7.527 0.146 -4.044 1.00 0.00 C ATOM 986 C ALA A 61 -6.665 1.104 -4.859 1.00 0.00 C ATOM 987 O ALA A 61 -6.276 2.167 -4.376 1.00 0.00 O ATOM 988 CB ALA A 61 -6.658 -0.690 -3.115 1.00 0.00 C ATOM 0 H ALA A 61 -8.089 -1.712 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.215 0.741 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.075 -0.031 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.292 -1.329 -2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.984 -1.309 -3.707 1.00 0.00 H new ATOM 994 N ARG A 62 -6.370 0.720 -6.096 1.00 0.00 N ATOM 995 CA ARG A 62 -5.552 1.545 -6.977 1.00 0.00 C ATOM 996 C ARG A 62 -6.379 2.670 -7.591 1.00 0.00 C ATOM 997 O ARG A 62 -5.832 3.626 -8.141 1.00 0.00 O ATOM 998 CB ARG A 62 -4.935 0.688 -8.085 1.00 0.00 C ATOM 999 CG ARG A 62 -4.092 1.482 -9.070 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.636 0.618 -10.235 1.00 0.00 C ATOM 1001 NE ARG A 62 -3.066 1.415 -11.318 1.00 0.00 N ATOM 1002 CZ ARG A 62 -3.783 2.222 -12.092 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -5.090 2.339 -11.903 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -3.192 2.915 -13.057 1.00 0.00 N ATOM 0 H ARG A 62 -6.685 -0.157 -6.511 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.754 1.988 -6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.316 -0.087 -7.632 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.733 0.182 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.669 2.327 -9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.222 1.893 -8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.895 -0.100 -9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.482 0.044 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.063 1.348 -11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.548 1.809 -11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.638 2.960 -12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.187 2.828 -13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.743 3.534 -13.651 1.00 0.00 H new ATOM 1018 N ARG A 63 -7.699 2.549 -7.493 1.00 0.00 N ATOM 1019 CA ARG A 63 -8.601 3.555 -8.040 1.00 0.00 C ATOM 1020 C ARG A 63 -9.224 4.390 -6.925 1.00 0.00 C ATOM 1021 O ARG A 63 -9.966 5.338 -7.186 1.00 0.00 O ATOM 1022 CB ARG A 63 -9.701 2.889 -8.868 1.00 0.00 C ATOM 1023 CG ARG A 63 -10.307 1.664 -8.202 1.00 0.00 C ATOM 1024 CD ARG A 63 -11.343 1.000 -9.095 1.00 0.00 C ATOM 1025 NE ARG A 63 -10.753 0.479 -10.325 1.00 0.00 N ATOM 1026 CZ ARG A 63 -10.566 1.212 -11.418 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -10.921 2.489 -11.432 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -10.023 0.666 -12.499 1.00 0.00 N ATOM 0 H ARG A 63 -8.167 1.764 -7.040 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.020 4.215 -8.684 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.490 3.616 -9.060 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.291 2.601 -9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.518 0.950 -7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.770 1.953 -7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.823 0.187 -8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.122 1.720 -9.344 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.469 -0.500 -10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.339 2.911 -10.603 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.776 3.049 -12.272 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.749 -0.316 -12.491 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.880 1.229 -13.337 1.00 0.00 H new ATOM 1042 N ARG A 64 -8.918 4.032 -5.683 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.449 4.746 -4.528 1.00 0.00 C ATOM 1044 C ARG A 64 -8.323 5.195 -3.602 1.00 0.00 C ATOM 1045 O ARG A 64 -8.327 6.322 -3.105 1.00 0.00 O ATOM 1046 CB ARG A 64 -10.432 3.861 -3.761 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.227 4.607 -2.702 1.00 0.00 C ATOM 1048 CD ARG A 64 -12.387 3.773 -2.184 1.00 0.00 C ATOM 1049 NE ARG A 64 -11.931 2.562 -1.506 1.00 0.00 N ATOM 1050 CZ ARG A 64 -12.673 1.468 -1.377 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -13.900 1.432 -1.879 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -12.188 0.406 -0.746 1.00 0.00 N ATOM 0 H ARG A 64 -8.305 3.251 -5.450 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.974 5.630 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.125 3.405 -4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.882 3.049 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.571 4.873 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.606 5.539 -3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.984 4.371 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.037 3.500 -3.015 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.991 2.556 -1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -14.276 2.246 -2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.468 0.591 -1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.244 0.429 -0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.759 -0.434 -0.648 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.362 4.307 -3.373 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.230 4.612 -2.507 1.00 0.00 C ATOM 1068 C ILE A 65 -5.155 5.389 -3.260 1.00 0.00 C ATOM 1069 O ILE A 65 -4.836 6.526 -2.911 1.00 0.00 O ATOM 1070 CB ILE A 65 -5.607 3.331 -1.923 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -6.702 2.391 -1.414 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.637 3.677 -0.803 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.169 1.200 -0.650 1.00 0.00 C ATOM 0 H ILE A 65 -7.345 3.370 -3.775 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.613 5.225 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.054 2.821 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.380 2.951 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.288 2.036 -2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.205 2.761 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.842 4.312 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.168 4.206 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.001 0.578 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.514 0.616 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.608 1.546 0.218 1.00 0.00 H new ATOM 1085 N LEU A 66 -4.601 4.769 -4.296 1.00 0.00 N ATOM 1086 CA LEU A 66 -3.563 5.402 -5.101 1.00 0.00 C ATOM 1087 C LEU A 66 -3.903 6.863 -5.378 1.00 0.00 C ATOM 1088 O LEU A 66 -3.093 7.766 -5.167 1.00 0.00 O ATOM 1089 CB LEU A 66 -3.383 4.650 -6.421 1.00 0.00 C ATOM 1090 CG LEU A 66 -2.581 5.375 -7.503 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.128 5.523 -7.080 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -2.680 4.632 -8.827 1.00 0.00 C ATOM 0 H LEU A 66 -4.854 3.828 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.630 5.365 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.894 3.699 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.370 4.419 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.003 6.371 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.572 6.041 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.075 6.098 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.694 4.536 -6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.104 5.162 -9.585 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.284 3.623 -8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.724 4.578 -9.137 1.00 0.00 H new ATOM 1104 N PRO A 67 -5.132 7.104 -5.859 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.610 8.454 -6.172 1.00 0.00 C ATOM 1106 C PRO A 67 -5.829 9.296 -4.920 1.00 0.00 C ATOM 1107 O PRO A 67 -5.876 10.524 -4.987 1.00 0.00 O ATOM 1108 CB PRO A 67 -6.939 8.203 -6.887 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.398 6.879 -6.382 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.150 6.076 -6.134 1.00 0.00 C ATOM 0 HA PRO A 67 -4.889 9.014 -6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.664 8.985 -6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.810 8.191 -7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.979 6.990 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.042 6.385 -7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.271 5.395 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.884 5.469 -6.999 1.00 0.00 H new ATOM 1118 N ASP A 68 -5.961 8.628 -3.779 1.00 0.00 N ATOM 1119 CA ASP A 68 -6.174 9.315 -2.510 1.00 0.00 C ATOM 1120 C ASP A 68 -4.843 9.714 -1.879 1.00 0.00 C ATOM 1121 O ASP A 68 -4.739 10.757 -1.234 1.00 0.00 O ATOM 1122 CB ASP A 68 -6.962 8.425 -1.549 1.00 0.00 C ATOM 1123 CG ASP A 68 -7.251 9.112 -0.229 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -6.372 9.850 0.260 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -8.357 8.910 0.316 1.00 0.00 O ATOM 0 H ASP A 68 -5.924 7.611 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.749 10.220 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.902 8.133 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.401 7.509 -1.363 1.00 0.00 H new ATOM 1130 N MET A 69 -3.830 8.876 -2.068 1.00 0.00 N ATOM 1131 CA MET A 69 -2.506 9.141 -1.516 1.00 0.00 C ATOM 1132 C MET A 69 -1.834 10.298 -2.249 1.00 0.00 C ATOM 1133 O MET A 69 -1.231 11.173 -1.627 1.00 0.00 O ATOM 1134 CB MET A 69 -1.632 7.888 -1.606 1.00 0.00 C ATOM 1135 CG MET A 69 -1.634 7.243 -2.983 1.00 0.00 C ATOM 1136 SD MET A 69 -0.471 5.871 -3.108 1.00 0.00 S ATOM 1137 CE MET A 69 -1.308 4.628 -2.126 1.00 0.00 C ATOM 0 H MET A 69 -3.900 8.008 -2.599 1.00 0.00 H new ATOM 0 HA MET A 69 -2.625 9.417 -0.468 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.608 8.149 -1.338 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.978 7.160 -0.872 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.638 6.885 -3.211 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.386 7.994 -3.732 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.621 3.809 -1.914 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.645 5.071 -1.189 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.168 4.247 -2.677 1.00 0.00 H new ATOM 1147 N LEU A 70 -1.941 10.295 -3.573 1.00 0.00 N ATOM 1148 CA LEU A 70 -1.343 11.345 -4.391 1.00 0.00 C ATOM 1149 C LEU A 70 -1.682 12.726 -3.838 1.00 0.00 C ATOM 1150 O LEU A 70 -0.794 13.543 -3.596 1.00 0.00 O ATOM 1151 CB LEU A 70 -1.826 11.229 -5.838 1.00 0.00 C ATOM 1152 CG LEU A 70 -0.946 10.402 -6.775 1.00 0.00 C ATOM 1153 CD1 LEU A 70 0.310 11.175 -7.149 1.00 0.00 C ATOM 1154 CD2 LEU A 70 -0.583 9.072 -6.131 1.00 0.00 C ATOM 0 H LEU A 70 -2.436 9.578 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.261 11.220 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.825 10.794 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.918 12.234 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.509 10.200 -7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.924 10.570 -7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.031 12.101 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.876 11.408 -6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.044 8.497 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.039 9.253 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.493 8.512 -5.915 1.00 0.00 H new ATOM 1166 N GLN A 71 -2.972 12.977 -3.640 1.00 0.00 N ATOM 1167 CA GLN A 71 -3.428 14.259 -3.114 1.00 0.00 C ATOM 1168 C GLN A 71 -3.038 15.400 -4.048 1.00 0.00 C ATOM 1169 O GLN A 71 -2.578 16.450 -3.600 1.00 0.00 O ATOM 1170 CB GLN A 71 -2.842 14.500 -1.722 1.00 0.00 C ATOM 1171 CG GLN A 71 -3.590 13.778 -0.613 1.00 0.00 C ATOM 1172 CD GLN A 71 -4.737 14.595 -0.054 1.00 0.00 C ATOM 1173 OE1 GLN A 71 -5.853 14.621 -0.774 1.00 0.00 O flip ATOM 1174 NE2 GLN A 71 -4.622 15.198 1.014 1.00 0.00 N flip ATOM 0 H GLN A 71 -3.719 12.311 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.515 14.228 -3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.800 14.179 -1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.847 15.570 -1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.975 12.833 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.895 13.537 0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.746 15.151 1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.403 15.745 1.378 1.00 0.00 H new ATOM 1183 N GLN A 72 -3.224 15.186 -5.346 1.00 0.00 N ATOM 1184 CA GLN A 72 -2.890 16.197 -6.342 1.00 0.00 C ATOM 1185 C GLN A 72 -3.373 17.575 -5.902 1.00 0.00 C ATOM 1186 O GLN A 72 -4.271 17.691 -5.068 1.00 0.00 O ATOM 1187 CB GLN A 72 -3.508 15.834 -7.694 1.00 0.00 C ATOM 1188 CG GLN A 72 -2.711 16.346 -8.883 1.00 0.00 C ATOM 1189 CD GLN A 72 -1.573 15.420 -9.266 1.00 0.00 C ATOM 1190 OE1 GLN A 72 -1.741 14.518 -10.087 1.00 0.00 O ATOM 1191 NE2 GLN A 72 -0.406 15.638 -8.671 1.00 0.00 N ATOM 0 H GLN A 72 -3.604 14.322 -5.733 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.805 16.228 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.595 14.750 -7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.519 16.239 -7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.378 16.468 -9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.309 17.332 -8.649 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.311 16.397 -7.996 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.396 15.046 -8.889 1.00 0.00 H new ATOM 1200 N ARG A 73 -2.772 18.616 -6.469 1.00 0.00 N ATOM 1201 CA ARG A 73 -3.140 19.986 -6.133 1.00 0.00 C ATOM 1202 C ARG A 73 -4.635 20.093 -5.848 1.00 0.00 C ATOM 1203 O ARG A 73 -5.061 20.884 -5.006 1.00 0.00 O ATOM 1204 CB ARG A 73 -2.759 20.933 -7.273 1.00 0.00 C ATOM 1205 CG ARG A 73 -1.295 21.342 -7.261 1.00 0.00 C ATOM 1206 CD ARG A 73 -1.075 22.598 -6.432 1.00 0.00 C ATOM 1207 NE ARG A 73 -1.140 22.326 -4.998 1.00 0.00 N ATOM 1208 CZ ARG A 73 -1.433 23.247 -4.088 1.00 0.00 C ATOM 1209 NH1 ARG A 73 -1.688 24.494 -4.460 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -1.473 22.922 -2.802 1.00 0.00 N ATOM 0 H ARG A 73 -2.029 18.537 -7.163 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.594 20.272 -5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.985 20.452 -8.225 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.378 21.828 -7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.692 20.528 -6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.956 21.515 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.103 23.028 -6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.827 23.342 -6.694 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.950 21.376 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.659 24.748 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.913 25.200 -3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.278 21.964 -2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.698 23.631 -2.104 1.00 0.00 H new ATOM 1224 N ARG A 74 -5.426 19.293 -6.555 1.00 0.00 N ATOM 1225 CA ARG A 74 -6.873 19.299 -6.379 1.00 0.00 C ATOM 1226 C ARG A 74 -7.243 19.568 -4.923 1.00 0.00 C ATOM 1227 O ARG A 74 -6.583 19.082 -4.005 1.00 0.00 O ATOM 1228 CB ARG A 74 -7.469 17.963 -6.829 1.00 0.00 C ATOM 1229 CG ARG A 74 -7.333 17.708 -8.321 1.00 0.00 C ATOM 1230 CD ARG A 74 -8.308 18.556 -9.122 1.00 0.00 C ATOM 1231 NE ARG A 74 -8.638 17.944 -10.407 1.00 0.00 N ATOM 1232 CZ ARG A 74 -9.422 18.517 -11.314 1.00 0.00 C ATOM 1233 NH1 ARG A 74 -9.952 19.709 -11.078 1.00 0.00 N ATOM 1234 NH2 ARG A 74 -9.675 17.897 -12.459 1.00 0.00 N ATOM 0 H ARG A 74 -5.089 18.632 -7.255 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.285 20.099 -6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.980 17.155 -6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.525 17.936 -6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.313 17.927 -8.637 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.511 16.653 -8.529 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.221 18.702 -8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.877 19.543 -9.290 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.245 17.027 -10.619 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.758 20.188 -10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.554 20.147 -11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.268 16.980 -12.643 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.277 18.337 -13.155 1.00 0.00 H new ATOM 1248 N ASN A 75 -8.301 20.346 -4.721 1.00 0.00 N ATOM 1249 CA ASN A 75 -8.757 20.681 -3.377 1.00 0.00 C ATOM 1250 C ASN A 75 -8.534 19.514 -2.419 1.00 0.00 C ATOM 1251 O ASN A 75 -9.266 18.525 -2.449 1.00 0.00 O ATOM 1252 CB ASN A 75 -10.240 21.060 -3.399 1.00 0.00 C ATOM 1253 CG ASN A 75 -11.143 19.852 -3.555 1.00 0.00 C ATOM 1254 OD1 ASN A 75 -11.276 19.300 -4.647 1.00 0.00 O ATOM 1255 ND2 ASN A 75 -11.769 19.437 -2.460 1.00 0.00 N ATOM 0 H ASN A 75 -8.858 20.756 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.175 21.533 -3.025 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.492 21.582 -2.476 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.423 21.755 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.390 18.629 -2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.628 19.926 -1.576 1.00 0.00 H new ATOM 1262 N ASP A 76 -7.518 19.638 -1.572 1.00 0.00 N ATOM 1263 CA ASP A 76 -7.198 18.595 -0.604 1.00 0.00 C ATOM 1264 C ASP A 76 -7.420 19.090 0.821 1.00 0.00 C ATOM 1265 O ASP A 76 -7.179 20.253 1.145 1.00 0.00 O ATOM 1266 CB ASP A 76 -5.750 18.134 -0.779 1.00 0.00 C ATOM 1267 CG ASP A 76 -4.757 19.266 -0.599 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -5.125 20.427 -0.877 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -3.613 18.991 -0.182 1.00 0.00 O ATOM 0 H ASP A 76 -6.902 20.450 -1.536 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.863 17.750 -0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.533 17.346 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.627 17.701 -1.772 1.00 0.00 H new ATOM 1274 N PRO A 77 -7.890 18.187 1.695 1.00 0.00 N ATOM 1275 CA PRO A 77 -8.155 18.510 3.101 1.00 0.00 C ATOM 1276 C PRO A 77 -6.873 18.752 3.891 1.00 0.00 C ATOM 1277 O PRO A 77 -5.772 18.660 3.349 1.00 0.00 O ATOM 1278 CB PRO A 77 -8.876 17.263 3.620 1.00 0.00 C ATOM 1279 CG PRO A 77 -8.416 16.161 2.730 1.00 0.00 C ATOM 1280 CD PRO A 77 -8.199 16.783 1.379 1.00 0.00 C ATOM 0 HA PRO A 77 -8.732 19.429 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.622 17.063 4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.958 17.384 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.496 15.714 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.159 15.365 2.678 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.381 16.303 0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.086 16.698 0.751 1.00 0.00 H new ATOM 1288 N SER A 78 -7.025 19.062 5.175 1.00 0.00 N ATOM 1289 CA SER A 78 -5.880 19.321 6.039 1.00 0.00 C ATOM 1290 C SER A 78 -5.097 18.039 6.302 1.00 0.00 C ATOM 1291 O SER A 78 -5.678 16.980 6.534 1.00 0.00 O ATOM 1292 CB SER A 78 -6.341 19.932 7.364 1.00 0.00 C ATOM 1293 OG SER A 78 -5.282 20.620 8.005 1.00 0.00 O ATOM 0 H SER A 78 -7.930 19.140 5.639 1.00 0.00 H new ATOM 0 HA SER A 78 -5.225 20.028 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.168 20.619 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.717 19.146 8.019 1.00 0.00 H new ATOM 0 HG SER A 78 -5.603 21.002 8.848 1.00 0.00 H new ATOM 1299 N GLY A 79 -3.772 18.143 6.265 1.00 0.00 N ATOM 1300 CA GLY A 79 -2.929 16.986 6.502 1.00 0.00 C ATOM 1301 C GLY A 79 -1.459 17.284 6.284 1.00 0.00 C ATOM 1302 O GLY A 79 -1.092 18.223 5.577 1.00 0.00 O ATOM 0 H GLY A 79 -3.267 19.009 6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.078 16.635 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.234 16.176 5.839 1.00 0.00 H new ATOM 1306 N PRO A 80 -0.589 16.474 6.904 1.00 0.00 N ATOM 1307 CA PRO A 80 0.864 16.637 6.791 1.00 0.00 C ATOM 1308 C PRO A 80 1.380 16.288 5.400 1.00 0.00 C ATOM 1309 O PRO A 80 0.703 15.606 4.629 1.00 0.00 O ATOM 1310 CB PRO A 80 1.413 15.653 7.828 1.00 0.00 C ATOM 1311 CG PRO A 80 0.351 14.618 7.968 1.00 0.00 C ATOM 1312 CD PRO A 80 -0.955 15.335 7.763 1.00 0.00 C ATOM 0 HA PRO A 80 1.173 17.669 6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.354 15.213 7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.610 16.149 8.778 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.480 13.824 7.232 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.389 14.150 8.952 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.695 14.693 7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.384 15.667 8.709 1.00 0.00 H new ATOM 1320 N SER A 81 2.582 16.758 5.084 1.00 0.00 N ATOM 1321 CA SER A 81 3.187 16.498 3.783 1.00 0.00 C ATOM 1322 C SER A 81 4.697 16.713 3.833 1.00 0.00 C ATOM 1323 O SER A 81 5.207 17.408 4.712 1.00 0.00 O ATOM 1324 CB SER A 81 2.567 17.405 2.718 1.00 0.00 C ATOM 1325 OG SER A 81 1.250 16.989 2.398 1.00 0.00 O ATOM 0 H SER A 81 3.156 17.321 5.711 1.00 0.00 H new ATOM 0 HA SER A 81 2.994 15.458 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.550 18.434 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.184 17.391 1.820 1.00 0.00 H new ATOM 0 HG SER A 81 1.002 16.227 2.961 1.00 0.00 H new ATOM 1331 N SER A 82 5.406 16.111 2.884 1.00 0.00 N ATOM 1332 CA SER A 82 6.858 16.233 2.821 1.00 0.00 C ATOM 1333 C SER A 82 7.397 15.640 1.522 1.00 0.00 C ATOM 1334 O SER A 82 6.729 14.841 0.868 1.00 0.00 O ATOM 1335 CB SER A 82 7.501 15.534 4.020 1.00 0.00 C ATOM 1336 OG SER A 82 7.507 14.128 3.848 1.00 0.00 O ATOM 0 H SER A 82 4.999 15.534 2.148 1.00 0.00 H new ATOM 0 HA SER A 82 7.111 17.293 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.522 15.892 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.957 15.790 4.929 1.00 0.00 H new ATOM 0 HG SER A 82 7.925 13.705 4.627 1.00 0.00 H new ATOM 1342 N GLY A 83 8.611 16.038 1.157 1.00 0.00 N ATOM 1343 CA GLY A 83 9.221 15.537 -0.061 1.00 0.00 C ATOM 1344 C GLY A 83 10.229 16.506 -0.646 1.00 0.00 C ATOM 1345 O GLY A 83 11.342 16.116 -0.998 1.00 0.00 O ATOM 0 H GLY A 83 9.184 16.699 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.713 14.587 0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.443 15.338 -0.798 1.00 0.00 H new TER 1349 GLY A 83