USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 798 hydrogens (2 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 54 SER OG : rot -42:sc= 0.599 USER MOD Set 1.2: A 56 THR OG1 : rot 78:sc= 1.01 USER MOD Set 2.1: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.44) USER MOD Single : A 5 ASN : amide:sc= -0.0583 K(o=-0.058,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= -2.35! (180deg=-3.12!) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0318) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.618 K(o=-0.62,f=-3.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -33:sc= 0.295! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.0292 (180deg=-0.458) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0882 USER MOD Single : A 70 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.26) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.17) USER MOD Single : A 83 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.77) USER MOD Single : A 87 ASN : amide:sc= -1.01 K(o=-1,f=-0.033) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0733) USER MOD Single : A 94 ASN : amide:sc= -1.05 K(o=-1,f=-0.05) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -18.571 -14.575 -6.191 1.00 0.00 N ATOM 2 CA ALA A 2 -17.442 -14.335 -5.252 1.00 0.00 C ATOM 3 C ALA A 2 -16.126 -14.475 -6.004 1.00 0.00 C ATOM 4 O ALA A 2 -15.072 -14.086 -5.505 1.00 0.00 O ATOM 5 CB ALA A 2 -17.496 -15.354 -4.113 1.00 0.00 C ATOM 0 HA ALA A 2 -17.519 -13.330 -4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.668 -15.176 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.440 -15.252 -3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.418 -16.361 -4.522 1.00 0.00 H new ATOM 13 N LEU A 3 -16.194 -15.037 -7.211 1.00 0.00 N ATOM 14 CA LEU A 3 -14.997 -15.228 -8.031 1.00 0.00 C ATOM 15 C LEU A 3 -15.012 -14.273 -9.219 1.00 0.00 C ATOM 16 O LEU A 3 -15.970 -14.244 -9.994 1.00 0.00 O ATOM 17 CB LEU A 3 -14.933 -16.671 -8.543 1.00 0.00 C ATOM 18 CG LEU A 3 -13.583 -16.923 -9.238 1.00 0.00 C ATOM 19 CD1 LEU A 3 -12.424 -16.824 -8.225 1.00 0.00 C ATOM 20 CD2 LEU A 3 -13.600 -18.318 -9.878 1.00 0.00 C ATOM 0 H LEU A 3 -17.059 -15.366 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.122 -15.022 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.060 -17.366 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.750 -16.855 -9.240 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.431 -16.166 -10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.478 -17.005 -8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.412 -15.828 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.562 -17.569 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.646 -18.503 -10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.761 -19.071 -9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.405 -18.372 -10.611 1.00 0.00 H new ATOM 32 N GLN A 4 -13.940 -13.495 -9.359 1.00 0.00 N ATOM 33 CA GLN A 4 -13.826 -12.536 -10.458 1.00 0.00 C ATOM 34 C GLN A 4 -12.902 -13.076 -11.543 1.00 0.00 C ATOM 35 O GLN A 4 -11.785 -13.515 -11.265 1.00 0.00 O ATOM 36 CB GLN A 4 -13.276 -11.208 -9.930 1.00 0.00 C ATOM 37 CG GLN A 4 -14.278 -10.583 -8.956 1.00 0.00 C ATOM 38 CD GLN A 4 -15.562 -10.208 -9.690 1.00 0.00 C ATOM 39 OE1 GLN A 4 -15.513 -9.555 -10.732 1.00 0.00 O ATOM 40 NE2 GLN A 4 -16.714 -10.583 -9.205 1.00 0.00 N ATOM 0 H GLN A 4 -13.139 -13.509 -8.727 1.00 0.00 H new ATOM 0 HA GLN A 4 -14.816 -12.377 -10.886 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.322 -11.372 -9.429 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -13.087 -10.526 -10.759 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.501 -11.285 -8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.843 -9.697 -8.494 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -16.752 -11.124 -8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.577 -10.335 -9.690 1.00 0.00 H new ATOM 49 N ASN A 5 -13.382 -13.037 -12.780 1.00 0.00 N ATOM 50 CA ASN A 5 -12.601 -13.522 -13.912 1.00 0.00 C ATOM 51 C ASN A 5 -11.345 -12.675 -14.093 1.00 0.00 C ATOM 52 O ASN A 5 -10.281 -13.194 -14.429 1.00 0.00 O ATOM 53 CB ASN A 5 -13.444 -13.477 -15.190 1.00 0.00 C ATOM 54 CG ASN A 5 -14.485 -14.590 -15.163 1.00 0.00 C ATOM 55 OD1 ASN A 5 -14.392 -15.511 -14.352 1.00 0.00 O ATOM 56 ND2 ASN A 5 -15.477 -14.564 -16.012 1.00 0.00 N ATOM 0 H ASN A 5 -14.304 -12.676 -13.025 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.306 -14.552 -13.713 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -13.936 -12.508 -15.278 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.802 -13.588 -16.064 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -16.175 -15.307 -16.003 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -15.553 -13.800 -16.684 1.00 0.00 H new ATOM 63 N LYS A 6 -11.481 -11.371 -13.877 1.00 0.00 N ATOM 64 CA LYS A 6 -10.353 -10.460 -14.027 1.00 0.00 C ATOM 65 C LYS A 6 -9.226 -10.840 -13.069 1.00 0.00 C ATOM 66 O LYS A 6 -8.052 -10.804 -13.436 1.00 0.00 O ATOM 67 CB LYS A 6 -10.797 -9.023 -13.745 1.00 0.00 C ATOM 68 CG LYS A 6 -11.753 -8.555 -14.844 1.00 0.00 C ATOM 69 CD LYS A 6 -12.188 -7.116 -14.563 1.00 0.00 C ATOM 70 CE LYS A 6 -13.151 -6.651 -15.658 1.00 0.00 C ATOM 71 NZ LYS A 6 -13.597 -5.258 -15.370 1.00 0.00 N ATOM 0 H LYS A 6 -12.355 -10.924 -13.599 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.988 -10.533 -15.051 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.289 -8.968 -12.774 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.929 -8.366 -13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.264 -8.615 -15.816 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.625 -9.208 -14.885 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.672 -7.055 -13.588 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.317 -6.462 -14.528 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.660 -6.693 -16.630 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.012 -7.317 -15.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.251 -4.942 -16.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.081 -5.232 -14.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.771 -4.627 -15.345 1.00 0.00 H new ATOM 85 N GLU A 7 -9.592 -11.203 -11.846 1.00 0.00 N ATOM 86 CA GLU A 7 -8.600 -11.588 -10.847 1.00 0.00 C ATOM 87 C GLU A 7 -7.863 -12.851 -11.281 1.00 0.00 C ATOM 88 O GLU A 7 -6.653 -12.972 -11.088 1.00 0.00 O ATOM 89 CB GLU A 7 -9.291 -11.836 -9.504 1.00 0.00 C ATOM 90 CG GLU A 7 -9.844 -10.518 -8.957 1.00 0.00 C ATOM 91 CD GLU A 7 -8.698 -9.588 -8.572 1.00 0.00 C ATOM 92 OE1 GLU A 7 -7.832 -10.025 -7.834 1.00 0.00 O ATOM 93 OE2 GLU A 7 -8.706 -8.453 -9.019 1.00 0.00 O ATOM 0 H GLU A 7 -10.559 -11.239 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.878 -10.778 -10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.099 -12.557 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.585 -12.267 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.474 -10.040 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.473 -10.711 -8.088 1.00 0.00 H new ATOM 100 N GLU A 8 -8.596 -13.786 -11.871 1.00 0.00 N ATOM 101 CA GLU A 8 -8.001 -15.033 -12.333 1.00 0.00 C ATOM 102 C GLU A 8 -7.010 -14.767 -13.461 1.00 0.00 C ATOM 103 O GLU A 8 -5.989 -15.446 -13.577 1.00 0.00 O ATOM 104 CB GLU A 8 -9.094 -15.988 -12.821 1.00 0.00 C ATOM 105 CG GLU A 8 -9.954 -16.436 -11.635 1.00 0.00 C ATOM 106 CD GLU A 8 -9.130 -17.317 -10.700 1.00 0.00 C ATOM 107 OE1 GLU A 8 -8.143 -17.868 -11.154 1.00 0.00 O ATOM 108 OE2 GLU A 8 -9.497 -17.425 -9.544 1.00 0.00 O ATOM 0 H GLU A 8 -9.599 -13.706 -12.040 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.469 -15.491 -11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.716 -15.494 -13.568 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.644 -16.855 -13.304 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.326 -15.565 -11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.825 -16.985 -11.993 1.00 0.00 H new ATOM 115 N GLU A 9 -7.320 -13.780 -14.294 1.00 0.00 N ATOM 116 CA GLU A 9 -6.448 -13.440 -15.412 1.00 0.00 C ATOM 117 C GLU A 9 -5.110 -12.907 -14.907 1.00 0.00 C ATOM 118 O GLU A 9 -4.051 -13.302 -15.393 1.00 0.00 O ATOM 119 CB GLU A 9 -7.116 -12.379 -16.289 1.00 0.00 C ATOM 120 CG GLU A 9 -6.341 -12.231 -17.598 1.00 0.00 C ATOM 121 CD GLU A 9 -6.552 -13.466 -18.467 1.00 0.00 C ATOM 122 OE1 GLU A 9 -7.522 -14.168 -18.236 1.00 0.00 O ATOM 123 OE2 GLU A 9 -5.741 -13.691 -19.350 1.00 0.00 O ATOM 0 H GLU A 9 -8.160 -13.206 -14.218 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.272 -14.343 -15.997 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.148 -12.662 -16.496 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.146 -11.425 -15.763 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.675 -11.340 -18.130 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.279 -12.099 -17.390 1.00 0.00 H new ATOM 130 N LYS A 10 -5.168 -12.009 -13.925 1.00 0.00 N ATOM 131 CA LYS A 10 -3.957 -11.425 -13.359 1.00 0.00 C ATOM 132 C LYS A 10 -3.136 -10.735 -14.447 1.00 0.00 C ATOM 133 O LYS A 10 -2.711 -11.366 -15.413 1.00 0.00 O ATOM 134 CB LYS A 10 -3.113 -12.515 -12.695 1.00 0.00 C ATOM 135 CG LYS A 10 -1.966 -11.869 -11.916 1.00 0.00 C ATOM 136 CD LYS A 10 -1.165 -12.955 -11.197 1.00 0.00 C ATOM 137 CE LYS A 10 -0.040 -12.306 -10.386 1.00 0.00 C ATOM 138 NZ LYS A 10 0.734 -13.365 -9.678 1.00 0.00 N ATOM 0 H LYS A 10 -6.036 -11.673 -13.508 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.247 -10.685 -12.613 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.732 -13.111 -12.024 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.717 -13.194 -13.450 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.319 -11.313 -12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.360 -11.154 -11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.818 -13.528 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.749 -13.655 -11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.617 -11.738 -11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.456 -11.601 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.499 -12.926 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.102 -13.888 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.142 -14.021 -10.374 1.00 0.00 H new ATOM 152 N LYS A 11 -2.922 -9.433 -14.285 1.00 0.00 N ATOM 153 CA LYS A 11 -2.156 -8.666 -15.260 1.00 0.00 C ATOM 154 C LYS A 11 -0.726 -9.185 -15.340 1.00 0.00 C ATOM 155 O LYS A 11 -0.126 -9.216 -16.415 1.00 0.00 O ATOM 156 CB LYS A 11 -2.141 -7.188 -14.870 1.00 0.00 C ATOM 157 CG LYS A 11 -1.464 -6.377 -15.977 1.00 0.00 C ATOM 158 CD LYS A 11 -1.508 -4.890 -15.621 1.00 0.00 C ATOM 159 CE LYS A 11 -0.863 -4.075 -16.743 1.00 0.00 C ATOM 160 NZ LYS A 11 0.558 -4.494 -16.910 1.00 0.00 N ATOM 0 H LYS A 11 -3.266 -8.890 -13.493 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.630 -8.778 -16.235 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.159 -6.831 -14.714 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.608 -7.054 -13.928 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.431 -6.702 -16.100 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.968 -6.549 -16.928 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.540 -4.571 -15.473 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.983 -4.715 -14.682 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.409 -4.224 -17.675 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.914 -3.011 -16.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.843 -4.366 -17.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.165 -3.913 -16.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.658 -5.495 -16.648 1.00 0.00 H new ATOM 174 N LYS A 12 -0.189 -9.587 -14.197 1.00 0.00 N ATOM 175 CA LYS A 12 1.175 -10.103 -14.143 1.00 0.00 C ATOM 176 C LYS A 12 2.162 -9.057 -14.642 1.00 0.00 C ATOM 177 O LYS A 12 2.271 -8.814 -15.844 1.00 0.00 O ATOM 178 CB LYS A 12 1.296 -11.364 -15.005 1.00 0.00 C ATOM 179 CG LYS A 12 2.632 -12.077 -14.721 1.00 0.00 C ATOM 180 CD LYS A 12 2.489 -12.995 -13.503 1.00 0.00 C ATOM 181 CE LYS A 12 3.799 -13.744 -13.275 1.00 0.00 C ATOM 182 NZ LYS A 12 3.651 -14.628 -12.086 1.00 0.00 N ATOM 0 H LYS A 12 -0.672 -9.567 -13.299 1.00 0.00 H new ATOM 0 HA LYS A 12 1.407 -10.346 -13.106 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.465 -12.037 -14.796 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.234 -11.099 -16.060 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.935 -12.659 -15.591 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.415 -11.341 -14.541 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.234 -12.409 -12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.675 -13.703 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.053 -14.335 -14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.615 -13.038 -13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.540 -15.143 -11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.427 -14.051 -11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.883 -15.309 -12.253 1.00 0.00 H new ATOM 196 N VAL A 13 2.881 -8.440 -13.708 1.00 0.00 N ATOM 197 CA VAL A 13 3.869 -7.416 -14.049 1.00 0.00 C ATOM 198 C VAL A 13 5.164 -7.650 -13.281 1.00 0.00 C ATOM 199 O VAL A 13 5.147 -7.910 -12.078 1.00 0.00 O ATOM 200 CB VAL A 13 3.317 -6.033 -13.713 1.00 0.00 C ATOM 201 CG1 VAL A 13 2.126 -5.731 -14.624 1.00 0.00 C ATOM 202 CG2 VAL A 13 2.861 -6.002 -12.251 1.00 0.00 C ATOM 0 H VAL A 13 2.799 -8.630 -12.709 1.00 0.00 H new ATOM 0 HA VAL A 13 4.078 -7.475 -15.117 1.00 0.00 H new ATOM 0 HB VAL A 13 4.095 -5.284 -13.864 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.728 -4.744 -14.388 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.449 -5.752 -15.665 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.350 -6.481 -14.470 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.467 -5.014 -12.014 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.083 -6.749 -12.097 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.708 -6.221 -11.601 1.00 0.00 H new ATOM 212 N LYS A 14 6.292 -7.555 -13.985 1.00 0.00 N ATOM 213 CA LYS A 14 7.602 -7.757 -13.364 1.00 0.00 C ATOM 214 C LYS A 14 8.327 -6.424 -13.222 1.00 0.00 C ATOM 215 O LYS A 14 9.387 -6.214 -13.812 1.00 0.00 O ATOM 216 CB LYS A 14 8.445 -8.699 -14.222 1.00 0.00 C ATOM 217 CG LYS A 14 9.677 -9.138 -13.430 1.00 0.00 C ATOM 218 CD LYS A 14 10.489 -10.133 -14.259 1.00 0.00 C ATOM 219 CE LYS A 14 11.712 -10.587 -13.458 1.00 0.00 C ATOM 220 NZ LYS A 14 11.290 -11.603 -12.454 1.00 0.00 N ATOM 0 H LYS A 14 6.326 -7.340 -14.982 1.00 0.00 H new ATOM 0 HA LYS A 14 7.455 -8.195 -12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.856 -9.569 -14.513 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.749 -8.198 -15.141 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.289 -8.272 -13.180 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.373 -9.596 -12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.873 -10.993 -14.520 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.805 -9.671 -15.194 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.463 -11.008 -14.126 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.172 -9.734 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.130 -11.989 -11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.666 -11.158 -11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.779 -12.372 -12.932 1.00 0.00 H new ATOM 234 N LYS A 15 7.747 -5.520 -12.437 1.00 0.00 N ATOM 235 CA LYS A 15 8.345 -4.203 -12.226 1.00 0.00 C ATOM 236 C LYS A 15 8.113 -3.744 -10.790 1.00 0.00 C ATOM 237 O LYS A 15 7.277 -4.299 -10.077 1.00 0.00 O ATOM 238 CB LYS A 15 7.742 -3.181 -13.194 1.00 0.00 C ATOM 239 CG LYS A 15 8.104 -3.563 -14.630 1.00 0.00 C ATOM 240 CD LYS A 15 7.548 -2.512 -15.590 1.00 0.00 C ATOM 241 CE LYS A 15 7.894 -2.904 -17.027 1.00 0.00 C ATOM 242 NZ LYS A 15 7.363 -1.873 -17.963 1.00 0.00 N ATOM 0 H LYS A 15 6.870 -5.673 -11.939 1.00 0.00 H new ATOM 0 HA LYS A 15 9.417 -4.279 -12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.659 -3.149 -13.077 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.117 -2.183 -12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.186 -3.633 -14.737 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.695 -4.544 -14.871 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.467 -2.432 -15.473 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.967 -1.533 -15.357 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.974 -2.993 -17.141 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.467 -3.879 -17.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.598 -2.138 -18.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.330 -1.809 -17.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.790 -0.951 -17.742 1.00 0.00 H new ATOM 256 N LEU A 16 8.862 -2.731 -10.373 1.00 0.00 N ATOM 257 CA LEU A 16 8.734 -2.206 -9.020 1.00 0.00 C ATOM 258 C LEU A 16 8.907 -3.325 -7.998 1.00 0.00 C ATOM 259 O LEU A 16 9.043 -4.496 -8.358 1.00 0.00 O ATOM 260 CB LEU A 16 7.358 -1.537 -8.847 1.00 0.00 C ATOM 261 CG LEU A 16 7.407 -0.082 -9.349 1.00 0.00 C ATOM 262 CD1 LEU A 16 8.351 0.770 -8.473 1.00 0.00 C ATOM 263 CD2 LEU A 16 7.884 -0.077 -10.804 1.00 0.00 C ATOM 0 H LEU A 16 9.560 -2.259 -10.948 1.00 0.00 H new ATOM 0 HA LEU A 16 9.514 -1.463 -8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.602 -2.095 -9.400 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.065 -1.558 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 16 6.410 0.354 -9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.369 1.794 -8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.994 0.766 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.357 0.352 -8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.923 0.949 -11.171 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.878 -0.521 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.192 -0.655 -11.416 1.00 0.00 H new ATOM 275 N GLN A 17 8.900 -2.953 -6.719 1.00 0.00 N ATOM 276 CA GLN A 17 9.058 -3.920 -5.638 1.00 0.00 C ATOM 277 C GLN A 17 7.797 -3.974 -4.788 1.00 0.00 C ATOM 278 O GLN A 17 7.480 -3.032 -4.060 1.00 0.00 O ATOM 279 CB GLN A 17 10.252 -3.530 -4.763 1.00 0.00 C ATOM 280 CG GLN A 17 10.419 -4.560 -3.647 1.00 0.00 C ATOM 281 CD GLN A 17 11.723 -4.315 -2.899 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.676 -3.780 -3.465 1.00 0.00 O ATOM 283 NE2 GLN A 17 11.820 -4.668 -1.647 1.00 0.00 N ATOM 0 H GLN A 17 8.786 -1.988 -6.408 1.00 0.00 H new ATOM 0 HA GLN A 17 9.233 -4.904 -6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.159 -3.480 -5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.097 -2.538 -4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.578 -4.499 -2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.415 -5.566 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.029 -5.111 -1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.687 -4.501 -1.136 1.00 0.00 H new ATOM 292 N LYS A 18 7.081 -5.086 -4.884 1.00 0.00 N ATOM 293 CA LYS A 18 5.856 -5.262 -4.119 1.00 0.00 C ATOM 294 C LYS A 18 6.187 -5.626 -2.677 1.00 0.00 C ATOM 295 O LYS A 18 6.992 -6.522 -2.423 1.00 0.00 O ATOM 296 CB LYS A 18 5.014 -6.375 -4.738 1.00 0.00 C ATOM 297 CG LYS A 18 4.532 -5.940 -6.121 1.00 0.00 C ATOM 298 CD LYS A 18 3.612 -7.012 -6.719 1.00 0.00 C ATOM 299 CE LYS A 18 4.425 -8.251 -7.118 1.00 0.00 C ATOM 300 NZ LYS A 18 3.621 -9.087 -8.054 1.00 0.00 N ATOM 0 H LYS A 18 7.326 -5.876 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 18 5.296 -4.327 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.602 -7.289 -4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.161 -6.599 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.999 -4.992 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.386 -5.775 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.847 -7.289 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.095 -6.612 -7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.359 -7.950 -7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.689 -8.828 -6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.169 -9.928 -8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.741 -9.384 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.391 -8.533 -8.904 1.00 0.00 H new ATOM 314 N SER A 19 5.556 -4.929 -1.738 1.00 0.00 N ATOM 315 CA SER A 19 5.780 -5.181 -0.312 1.00 0.00 C ATOM 316 C SER A 19 4.449 -5.224 0.427 1.00 0.00 C ATOM 317 O SER A 19 3.488 -4.561 0.035 1.00 0.00 O ATOM 318 CB SER A 19 6.665 -4.080 0.275 1.00 0.00 C ATOM 319 OG SER A 19 8.012 -4.315 -0.108 1.00 0.00 O ATOM 0 H SER A 19 4.886 -4.186 -1.934 1.00 0.00 H new ATOM 0 HA SER A 19 6.279 -6.143 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.337 -3.104 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.579 -4.068 1.362 1.00 0.00 H new ATOM 0 HG SER A 19 8.585 -3.612 0.263 1.00 0.00 H new ATOM 325 N TYR A 20 4.400 -6.008 1.503 1.00 0.00 N ATOM 326 CA TYR A 20 3.183 -6.137 2.305 1.00 0.00 C ATOM 327 C TYR A 20 3.410 -5.568 3.699 1.00 0.00 C ATOM 328 O TYR A 20 4.378 -5.916 4.373 1.00 0.00 O ATOM 329 CB TYR A 20 2.792 -7.612 2.418 1.00 0.00 C ATOM 330 CG TYR A 20 2.589 -8.189 1.032 1.00 0.00 C ATOM 331 CD1 TYR A 20 1.612 -7.653 0.181 1.00 0.00 C ATOM 332 CD2 TYR A 20 3.380 -9.260 0.593 1.00 0.00 C ATOM 333 CE1 TYR A 20 1.426 -8.182 -1.099 1.00 0.00 C ATOM 334 CE2 TYR A 20 3.194 -9.790 -0.690 1.00 0.00 C ATOM 335 CZ TYR A 20 2.215 -9.251 -1.534 1.00 0.00 C ATOM 336 OH TYR A 20 2.031 -9.776 -2.797 1.00 0.00 O ATOM 0 H TYR A 20 5.187 -6.563 1.840 1.00 0.00 H new ATOM 0 HA TYR A 20 2.381 -5.582 1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.570 -8.166 2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.878 -7.713 3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.001 -6.828 0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.134 -9.677 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.673 -7.765 -1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.805 -10.614 -1.028 1.00 0.00 H new ATOM 0 HH TYR A 20 2.662 -10.512 -2.940 1.00 0.00 H new ATOM 346 N PHE A 21 2.506 -4.686 4.122 1.00 0.00 N ATOM 347 CA PHE A 21 2.600 -4.058 5.440 1.00 0.00 C ATOM 348 C PHE A 21 1.358 -4.381 6.263 1.00 0.00 C ATOM 349 O PHE A 21 0.242 -4.020 5.888 1.00 0.00 O ATOM 350 CB PHE A 21 2.722 -2.541 5.278 1.00 0.00 C ATOM 351 CG PHE A 21 3.799 -2.231 4.261 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.560 -2.467 2.900 1.00 0.00 C ATOM 353 CD2 PHE A 21 5.034 -1.711 4.674 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.553 -2.185 1.955 1.00 0.00 C ATOM 355 CE2 PHE A 21 6.027 -1.428 3.726 1.00 0.00 C ATOM 356 CZ PHE A 21 5.787 -1.667 2.368 1.00 0.00 C ATOM 0 H PHE A 21 1.700 -4.390 3.572 1.00 0.00 H new ATOM 0 HA PHE A 21 3.480 -4.444 5.954 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.769 -2.121 4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.966 -2.080 6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.609 -2.867 2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.220 -1.529 5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.368 -2.367 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.978 -1.025 4.044 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.554 -1.452 1.638 1.00 0.00 H new ATOM 366 N ASP A 22 1.558 -5.054 7.388 1.00 0.00 N ATOM 367 CA ASP A 22 0.449 -5.409 8.261 1.00 0.00 C ATOM 368 C ASP A 22 0.027 -4.204 9.093 1.00 0.00 C ATOM 369 O ASP A 22 0.869 -3.449 9.576 1.00 0.00 O ATOM 370 CB ASP A 22 0.864 -6.553 9.188 1.00 0.00 C ATOM 371 CG ASP A 22 0.974 -7.854 8.402 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.457 -7.902 7.298 1.00 0.00 O ATOM 373 OD2 ASP A 22 1.573 -8.785 8.916 1.00 0.00 O ATOM 0 H ASP A 22 2.473 -5.363 7.716 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.393 -5.728 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.820 -6.322 9.658 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.134 -6.664 9.989 1.00 0.00 H new ATOM 378 N VAL A 23 -1.284 -4.033 9.260 1.00 0.00 N ATOM 379 CA VAL A 23 -1.821 -2.915 10.041 1.00 0.00 C ATOM 380 C VAL A 23 -2.699 -3.436 11.174 1.00 0.00 C ATOM 381 O VAL A 23 -3.640 -4.199 10.950 1.00 0.00 O ATOM 382 CB VAL A 23 -2.642 -1.993 9.130 1.00 0.00 C ATOM 383 CG1 VAL A 23 -1.703 -1.093 8.325 1.00 0.00 C ATOM 384 CG2 VAL A 23 -3.469 -2.843 8.166 1.00 0.00 C ATOM 0 H VAL A 23 -1.993 -4.651 8.867 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.991 -2.353 10.469 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.301 -1.376 9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.290 -0.440 7.679 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.106 -0.488 9.007 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.043 -1.709 7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.054 -2.192 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.803 -3.457 7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.140 -3.488 8.733 1.00 0.00 H new ATOM 394 N LEU A 24 -2.385 -3.012 12.394 1.00 0.00 N ATOM 395 CA LEU A 24 -3.148 -3.429 13.571 1.00 0.00 C ATOM 396 C LEU A 24 -3.993 -2.275 14.094 1.00 0.00 C ATOM 397 O LEU A 24 -4.955 -2.484 14.834 1.00 0.00 O ATOM 398 CB LEU A 24 -2.192 -3.898 14.668 1.00 0.00 C ATOM 399 CG LEU A 24 -1.293 -5.016 14.123 1.00 0.00 C ATOM 400 CD1 LEU A 24 -0.302 -5.442 15.211 1.00 0.00 C ATOM 401 CD2 LEU A 24 -2.149 -6.226 13.696 1.00 0.00 C ATOM 0 H LEU A 24 -1.609 -2.381 12.596 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.807 -4.249 13.285 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.582 -3.064 15.014 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.757 -4.258 15.528 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.748 -4.648 13.254 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.339 -6.236 14.828 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.311 -4.588 15.499 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.850 -5.805 16.080 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.500 -7.013 13.311 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.703 -6.601 14.556 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.849 -5.920 12.919 1.00 0.00 H new ATOM 413 N GLY A 25 -3.633 -1.051 13.709 1.00 0.00 N ATOM 414 CA GLY A 25 -4.369 0.131 14.149 1.00 0.00 C ATOM 415 C GLY A 25 -5.464 0.486 13.154 1.00 0.00 C ATOM 416 O GLY A 25 -5.981 1.603 13.155 1.00 0.00 O ATOM 0 H GLY A 25 -2.841 -0.854 13.097 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.808 -0.052 15.130 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.684 0.972 14.258 1.00 0.00 H new ATOM 420 N ILE A 26 -5.817 -0.470 12.302 1.00 0.00 N ATOM 421 CA ILE A 26 -6.856 -0.238 11.306 1.00 0.00 C ATOM 422 C ILE A 26 -8.234 -0.286 11.956 1.00 0.00 C ATOM 423 O ILE A 26 -8.562 -1.232 12.672 1.00 0.00 O ATOM 424 CB ILE A 26 -6.773 -1.299 10.206 1.00 0.00 C ATOM 425 CG1 ILE A 26 -7.758 -0.956 9.072 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.129 -2.672 10.794 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.354 0.357 8.379 1.00 0.00 C ATOM 0 H ILE A 26 -5.405 -1.403 12.280 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.703 0.749 10.869 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.759 -1.323 9.806 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.778 -1.766 8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.767 -0.865 9.475 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.070 -3.429 10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.428 -2.919 11.591 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.142 -2.644 11.197 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.063 0.581 7.582 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.358 1.169 9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.354 0.253 7.957 1.00 0.00 H new ATOM 439 N CYS A 27 -9.039 0.743 11.699 1.00 0.00 N ATOM 440 CA CYS A 27 -10.392 0.825 12.254 1.00 0.00 C ATOM 441 C CYS A 27 -11.402 1.082 11.143 1.00 0.00 C ATOM 442 O CYS A 27 -11.172 1.912 10.264 1.00 0.00 O ATOM 443 CB CYS A 27 -10.459 1.949 13.298 1.00 0.00 C ATOM 444 SG CYS A 27 -12.180 2.454 13.569 1.00 0.00 S ATOM 0 H CYS A 27 -8.779 1.534 11.109 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.636 -0.123 12.735 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.020 1.610 14.236 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.871 2.803 12.961 1.00 0.00 H new ATOM 449 N CYS A 28 -12.522 0.364 11.199 1.00 0.00 N ATOM 450 CA CYS A 28 -13.581 0.509 10.202 1.00 0.00 C ATOM 451 C CYS A 28 -12.986 0.740 8.811 1.00 0.00 C ATOM 452 O CYS A 28 -11.945 0.176 8.475 1.00 0.00 O ATOM 453 CB CYS A 28 -14.498 1.675 10.594 1.00 0.00 C ATOM 454 SG CYS A 28 -13.685 3.240 10.208 1.00 0.00 S ATOM 0 H CYS A 28 -12.720 -0.325 11.925 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.165 -0.411 10.169 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.444 1.603 10.058 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.730 1.627 11.658 1.00 0.00 H new ATOM 459 N THR A 29 -13.642 1.576 8.009 1.00 0.00 N ATOM 460 CA THR A 29 -13.165 1.875 6.658 1.00 0.00 C ATOM 461 C THR A 29 -13.132 3.385 6.422 1.00 0.00 C ATOM 462 O THR A 29 -12.683 3.848 5.377 1.00 0.00 O ATOM 463 CB THR A 29 -14.084 1.214 5.635 1.00 0.00 C ATOM 464 OG1 THR A 29 -13.804 1.739 4.347 1.00 0.00 O ATOM 465 CG2 THR A 29 -15.541 1.494 6.003 1.00 0.00 C ATOM 0 H THR A 29 -14.503 2.058 8.269 1.00 0.00 H new ATOM 0 HA THR A 29 -12.153 1.484 6.548 1.00 0.00 H new ATOM 0 HB THR A 29 -13.916 0.137 5.631 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.541 2.680 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.198 1.022 5.272 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.750 1.090 6.994 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.715 2.570 6.006 1.00 0.00 H new ATOM 473 N SER A 30 -13.615 4.147 7.398 1.00 0.00 N ATOM 474 CA SER A 30 -13.637 5.603 7.284 1.00 0.00 C ATOM 475 C SER A 30 -12.219 6.157 7.167 1.00 0.00 C ATOM 476 O SER A 30 -12.021 7.287 6.719 1.00 0.00 O ATOM 477 CB SER A 30 -14.319 6.212 8.507 1.00 0.00 C ATOM 478 OG SER A 30 -14.457 7.614 8.315 1.00 0.00 O ATOM 0 H SER A 30 -13.995 3.784 8.272 1.00 0.00 H new ATOM 0 HA SER A 30 -14.194 5.867 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.297 5.755 8.658 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.732 6.012 9.403 1.00 0.00 H new ATOM 0 HG SER A 30 -14.896 8.010 9.097 1.00 0.00 H new ATOM 484 N GLU A 31 -11.237 5.355 7.575 1.00 0.00 N ATOM 485 CA GLU A 31 -9.834 5.769 7.516 1.00 0.00 C ATOM 486 C GLU A 31 -9.256 5.488 6.137 1.00 0.00 C ATOM 487 O GLU A 31 -8.136 5.900 5.828 1.00 0.00 O ATOM 488 CB GLU A 31 -9.012 5.030 8.579 1.00 0.00 C ATOM 489 CG GLU A 31 -9.380 5.531 9.985 1.00 0.00 C ATOM 490 CD GLU A 31 -10.681 4.883 10.446 1.00 0.00 C ATOM 491 OE1 GLU A 31 -11.274 4.180 9.651 1.00 0.00 O ATOM 492 OE2 GLU A 31 -11.069 5.103 11.583 1.00 0.00 O ATOM 0 H GLU A 31 -11.385 4.418 7.949 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.786 6.840 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.195 3.958 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.948 5.185 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.579 5.295 10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.487 6.616 9.977 1.00 0.00 H new ATOM 499 N VAL A 32 -10.029 4.808 5.298 1.00 0.00 N ATOM 500 CA VAL A 32 -9.582 4.513 3.943 1.00 0.00 C ATOM 501 C VAL A 32 -8.979 5.773 3.305 1.00 0.00 C ATOM 502 O VAL A 32 -7.827 5.757 2.871 1.00 0.00 O ATOM 503 CB VAL A 32 -10.768 3.999 3.089 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.531 4.275 1.592 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.947 2.493 3.299 1.00 0.00 C ATOM 0 H VAL A 32 -10.958 4.454 5.529 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.818 3.736 3.984 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.667 4.528 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.378 3.904 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.425 5.348 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.622 3.768 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.783 2.138 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.037 1.973 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.149 2.294 4.351 1.00 0.00 H new ATOM 515 N PRO A 33 -9.731 6.854 3.221 1.00 0.00 N ATOM 516 CA PRO A 33 -9.241 8.123 2.603 1.00 0.00 C ATOM 517 C PRO A 33 -7.969 8.639 3.265 1.00 0.00 C ATOM 518 O PRO A 33 -7.041 9.090 2.590 1.00 0.00 O ATOM 519 CB PRO A 33 -10.420 9.109 2.799 1.00 0.00 C ATOM 520 CG PRO A 33 -11.250 8.513 3.886 1.00 0.00 C ATOM 521 CD PRO A 33 -11.120 7.011 3.703 1.00 0.00 C ATOM 0 HA PRO A 33 -8.968 7.988 1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.062 10.101 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.996 9.222 1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.894 8.823 4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.290 8.831 3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.286 6.475 4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.843 6.628 2.983 1.00 0.00 H new ATOM 529 N ILE A 34 -7.939 8.573 4.587 1.00 0.00 N ATOM 530 CA ILE A 34 -6.783 9.043 5.336 1.00 0.00 C ATOM 531 C ILE A 34 -5.556 8.203 5.006 1.00 0.00 C ATOM 532 O ILE A 34 -4.460 8.735 4.827 1.00 0.00 O ATOM 533 CB ILE A 34 -7.068 8.978 6.841 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.157 9.996 7.196 1.00 0.00 C ATOM 535 CG2 ILE A 34 -5.787 9.310 7.616 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.616 9.774 8.640 1.00 0.00 C ATOM 0 H ILE A 34 -8.696 8.201 5.161 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.586 10.077 5.054 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.405 7.976 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.774 11.010 7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.002 9.892 6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.987 9.264 8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.010 8.589 7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.452 10.313 7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.390 10.499 8.891 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.016 8.765 8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.769 9.900 9.314 1.00 0.00 H new ATOM 548 N ILE A 35 -5.741 6.891 4.942 1.00 0.00 N ATOM 549 CA ILE A 35 -4.632 5.994 4.652 1.00 0.00 C ATOM 550 C ILE A 35 -4.064 6.278 3.264 1.00 0.00 C ATOM 551 O ILE A 35 -2.853 6.344 3.087 1.00 0.00 O ATOM 552 CB ILE A 35 -5.113 4.540 4.718 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.478 4.189 6.163 1.00 0.00 C ATOM 554 CG2 ILE A 35 -4.000 3.604 4.236 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.246 2.866 6.185 1.00 0.00 C ATOM 0 H ILE A 35 -6.639 6.429 5.085 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.850 6.157 5.394 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.988 4.422 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.575 4.109 6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.085 4.982 6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.346 2.572 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.737 3.851 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.123 3.723 4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.507 2.614 7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.156 2.964 5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.623 2.077 5.765 1.00 0.00 H new ATOM 567 N GLU A 36 -4.946 6.445 2.288 1.00 0.00 N ATOM 568 CA GLU A 36 -4.512 6.715 0.923 1.00 0.00 C ATOM 569 C GLU A 36 -3.819 8.070 0.838 1.00 0.00 C ATOM 570 O GLU A 36 -2.896 8.261 0.048 1.00 0.00 O ATOM 571 CB GLU A 36 -5.718 6.693 -0.017 1.00 0.00 C ATOM 572 CG GLU A 36 -6.301 5.279 -0.066 1.00 0.00 C ATOM 573 CD GLU A 36 -7.553 5.261 -0.934 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.908 6.311 -1.448 1.00 0.00 O ATOM 575 OE2 GLU A 36 -8.139 4.201 -1.074 1.00 0.00 O ATOM 0 H GLU A 36 -5.957 6.399 2.413 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.804 5.942 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.474 7.398 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.419 7.010 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.561 4.586 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.542 4.941 0.942 1.00 0.00 H new ATOM 582 N ASN A 37 -4.277 9.009 1.658 1.00 0.00 N ATOM 583 CA ASN A 37 -3.703 10.349 1.673 1.00 0.00 C ATOM 584 C ASN A 37 -2.249 10.309 2.131 1.00 0.00 C ATOM 585 O ASN A 37 -1.405 11.042 1.614 1.00 0.00 O ATOM 586 CB ASN A 37 -4.506 11.251 2.610 1.00 0.00 C ATOM 587 CG ASN A 37 -5.871 11.552 2.003 1.00 0.00 C ATOM 588 OD1 ASN A 37 -6.062 11.394 0.797 1.00 0.00 O ATOM 589 ND2 ASN A 37 -6.837 11.977 2.769 1.00 0.00 N ATOM 0 H ASN A 37 -5.041 8.868 2.319 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.742 10.748 0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.629 10.766 3.578 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.964 12.180 2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.753 12.179 2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.676 12.107 3.768 1.00 0.00 H new ATOM 596 N ILE A 38 -1.963 9.458 3.110 1.00 0.00 N ATOM 597 CA ILE A 38 -0.606 9.345 3.639 1.00 0.00 C ATOM 598 C ILE A 38 0.353 8.864 2.552 1.00 0.00 C ATOM 599 O ILE A 38 1.449 9.403 2.395 1.00 0.00 O ATOM 600 CB ILE A 38 -0.588 8.359 4.813 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.374 8.950 5.991 1.00 0.00 C ATOM 602 CG2 ILE A 38 0.858 8.103 5.249 1.00 0.00 C ATOM 603 CD1 ILE A 38 -1.608 7.866 7.046 1.00 0.00 C ATOM 0 H ILE A 38 -2.645 8.841 3.551 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.283 10.328 3.983 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.046 7.420 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.824 9.784 6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.328 9.345 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.868 7.402 6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.420 7.683 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.316 9.042 5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.166 8.287 7.882 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.176 7.047 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.648 7.492 7.402 1.00 0.00 H new ATOM 615 N LEU A 39 -0.067 7.854 1.800 1.00 0.00 N ATOM 616 CA LEU A 39 0.762 7.315 0.727 1.00 0.00 C ATOM 617 C LEU A 39 0.980 8.366 -0.357 1.00 0.00 C ATOM 618 O LEU A 39 2.071 8.476 -0.918 1.00 0.00 O ATOM 619 CB LEU A 39 0.096 6.063 0.128 1.00 0.00 C ATOM 620 CG LEU A 39 0.511 4.819 0.919 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.130 4.989 2.389 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.206 3.596 0.347 1.00 0.00 C ATOM 0 H LEU A 39 -0.970 7.394 1.911 1.00 0.00 H new ATOM 0 HA LEU A 39 1.732 7.038 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.988 6.172 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.385 5.952 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 39 1.590 4.684 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.427 4.101 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.639 5.862 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.948 5.125 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.086 2.708 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.284 3.736 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.068 3.471 -0.701 1.00 0.00 H new ATOM 634 N LYS A 40 -0.061 9.127 -0.653 1.00 0.00 N ATOM 635 CA LYS A 40 0.031 10.153 -1.679 1.00 0.00 C ATOM 636 C LYS A 40 1.157 11.127 -1.356 1.00 0.00 C ATOM 637 O LYS A 40 1.870 11.584 -2.249 1.00 0.00 O ATOM 638 CB LYS A 40 -1.293 10.908 -1.768 1.00 0.00 C ATOM 639 CG LYS A 40 -1.244 11.892 -2.941 1.00 0.00 C ATOM 640 CD LYS A 40 -2.572 12.654 -3.042 1.00 0.00 C ATOM 641 CE LYS A 40 -3.664 11.755 -3.637 1.00 0.00 C ATOM 642 NZ LYS A 40 -4.838 12.591 -4.017 1.00 0.00 N ATOM 0 H LYS A 40 -0.973 9.055 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 40 0.244 9.676 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.116 10.206 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.481 11.444 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.422 12.594 -2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.052 11.355 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.876 13.000 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.443 13.540 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.281 11.228 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.962 10.997 -2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.580 11.984 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.207 13.075 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.547 13.298 -4.722 1.00 0.00 H new ATOM 656 N SER A 41 1.313 11.434 -0.076 1.00 0.00 N ATOM 657 CA SER A 41 2.357 12.350 0.357 1.00 0.00 C ATOM 658 C SER A 41 3.735 11.793 0.011 1.00 0.00 C ATOM 659 O SER A 41 4.630 12.533 -0.402 1.00 0.00 O ATOM 660 CB SER A 41 2.263 12.579 1.865 1.00 0.00 C ATOM 661 OG SER A 41 3.265 13.507 2.259 1.00 0.00 O ATOM 0 H SER A 41 0.733 11.064 0.677 1.00 0.00 H new ATOM 0 HA SER A 41 2.218 13.298 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.275 12.959 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.393 11.637 2.397 1.00 0.00 H new ATOM 0 HG SER A 41 3.208 13.659 3.226 1.00 0.00 H new ATOM 667 N LEU A 42 3.898 10.488 0.190 1.00 0.00 N ATOM 668 CA LEU A 42 5.172 9.838 -0.096 1.00 0.00 C ATOM 669 C LEU A 42 5.439 9.821 -1.597 1.00 0.00 C ATOM 670 O LEU A 42 4.534 9.585 -2.397 1.00 0.00 O ATOM 671 CB LEU A 42 5.156 8.403 0.436 1.00 0.00 C ATOM 672 CG LEU A 42 4.816 8.409 1.932 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.722 6.966 2.434 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.902 9.163 2.719 1.00 0.00 C ATOM 0 H LEU A 42 3.169 9.861 0.530 1.00 0.00 H new ATOM 0 HA LEU A 42 5.965 10.401 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.423 7.810 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.127 7.935 0.276 1.00 0.00 H new ATOM 0 HG LEU A 42 3.861 8.912 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.481 6.966 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.942 6.440 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.677 6.464 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.650 9.161 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.864 8.672 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.962 10.191 2.362 1.00 0.00 H new ATOM 686 N ASP A 43 6.694 10.070 -1.970 1.00 0.00 N ATOM 687 CA ASP A 43 7.087 10.079 -3.378 1.00 0.00 C ATOM 688 C ASP A 43 7.770 8.768 -3.751 1.00 0.00 C ATOM 689 O ASP A 43 8.884 8.489 -3.308 1.00 0.00 O ATOM 690 CB ASP A 43 8.042 11.246 -3.646 1.00 0.00 C ATOM 691 CG ASP A 43 7.273 12.564 -3.619 1.00 0.00 C ATOM 692 OD1 ASP A 43 6.054 12.515 -3.590 1.00 0.00 O ATOM 693 OD2 ASP A 43 7.914 13.602 -3.631 1.00 0.00 O ATOM 0 H ASP A 43 7.454 10.268 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 43 6.190 10.195 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.832 11.261 -2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.525 11.117 -4.614 1.00 0.00 H new ATOM 698 N GLY A 44 7.094 7.966 -4.572 1.00 0.00 N ATOM 699 CA GLY A 44 7.641 6.682 -5.006 1.00 0.00 C ATOM 700 C GLY A 44 6.539 5.637 -5.132 1.00 0.00 C ATOM 701 O GLY A 44 6.702 4.631 -5.825 1.00 0.00 O ATOM 0 H GLY A 44 6.171 8.181 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.145 6.802 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.391 6.341 -4.292 1.00 0.00 H new ATOM 705 N VAL A 45 5.421 5.877 -4.459 1.00 0.00 N ATOM 706 CA VAL A 45 4.302 4.945 -4.507 1.00 0.00 C ATOM 707 C VAL A 45 3.579 5.045 -5.845 1.00 0.00 C ATOM 708 O VAL A 45 3.210 6.134 -6.284 1.00 0.00 O ATOM 709 CB VAL A 45 3.324 5.246 -3.368 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.083 5.306 -2.042 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.639 6.592 -3.627 1.00 0.00 C ATOM 0 H VAL A 45 5.265 6.701 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 45 4.689 3.933 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 45 2.572 4.458 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.385 5.520 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.569 4.348 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.836 6.092 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.942 6.808 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.391 7.379 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.095 6.548 -4.571 1.00 0.00 H new ATOM 721 N LYS A 46 3.376 3.902 -6.488 1.00 0.00 N ATOM 722 CA LYS A 46 2.692 3.858 -7.778 1.00 0.00 C ATOM 723 C LYS A 46 1.207 3.573 -7.587 1.00 0.00 C ATOM 724 O LYS A 46 0.355 4.255 -8.158 1.00 0.00 O ATOM 725 CB LYS A 46 3.322 2.769 -8.655 1.00 0.00 C ATOM 726 CG LYS A 46 4.673 3.251 -9.214 1.00 0.00 C ATOM 727 CD LYS A 46 4.459 4.066 -10.498 1.00 0.00 C ATOM 728 CE LYS A 46 5.818 4.419 -11.105 1.00 0.00 C ATOM 729 NZ LYS A 46 6.579 5.270 -10.147 1.00 0.00 N ATOM 0 H LYS A 46 3.675 2.992 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 46 2.799 4.827 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.465 1.860 -8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.649 2.518 -9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.186 3.860 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.315 2.395 -9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.867 3.493 -11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.900 4.975 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.378 3.510 -11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.682 4.947 -12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.347 5.758 -10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.940 5.973 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.982 4.673 -9.397 1.00 0.00 H new ATOM 743 N GLU A 47 0.904 2.565 -6.780 1.00 0.00 N ATOM 744 CA GLU A 47 -0.483 2.194 -6.521 1.00 0.00 C ATOM 745 C GLU A 47 -0.608 1.486 -5.178 1.00 0.00 C ATOM 746 O GLU A 47 0.364 0.940 -4.656 1.00 0.00 O ATOM 747 CB GLU A 47 -0.996 1.281 -7.635 1.00 0.00 C ATOM 748 CG GLU A 47 0.052 0.208 -7.935 1.00 0.00 C ATOM 749 CD GLU A 47 -0.501 -0.795 -8.942 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.696 -1.038 -8.907 1.00 0.00 O ATOM 751 OE2 GLU A 47 0.277 -1.304 -9.730 1.00 0.00 O ATOM 0 H GLU A 47 1.595 1.992 -6.295 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.083 3.103 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.934 0.815 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.203 1.864 -8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.956 0.671 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.333 -0.305 -7.015 1.00 0.00 H new ATOM 758 N TYR A 48 -1.815 1.500 -4.630 1.00 0.00 N ATOM 759 CA TYR A 48 -2.080 0.856 -3.349 1.00 0.00 C ATOM 760 C TYR A 48 -3.564 0.553 -3.191 1.00 0.00 C ATOM 761 O TYR A 48 -4.407 1.164 -3.848 1.00 0.00 O ATOM 762 CB TYR A 48 -1.598 1.755 -2.203 1.00 0.00 C ATOM 763 CG TYR A 48 -1.994 3.185 -2.494 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.328 3.588 -2.372 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.019 4.109 -2.894 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.688 4.912 -2.650 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.379 5.433 -3.171 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.714 5.834 -3.049 1.00 0.00 C ATOM 769 OH TYR A 48 -3.068 7.139 -3.321 1.00 0.00 O ATOM 0 H TYR A 48 -2.627 1.950 -5.052 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.535 -0.087 -3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.036 1.428 -1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.516 1.679 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.080 2.877 -2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.011 3.799 -2.989 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.718 5.222 -2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.627 6.144 -3.479 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.271 7.646 -3.583 1.00 0.00 H new ATOM 779 N SER A 49 -3.874 -0.393 -2.310 1.00 0.00 N ATOM 780 CA SER A 49 -5.261 -0.778 -2.062 1.00 0.00 C ATOM 781 C SER A 49 -5.459 -1.119 -0.591 1.00 0.00 C ATOM 782 O SER A 49 -4.665 -1.852 -0.001 1.00 0.00 O ATOM 783 CB SER A 49 -5.623 -1.992 -2.917 1.00 0.00 C ATOM 784 OG SER A 49 -7.036 -2.156 -2.922 1.00 0.00 O ATOM 0 H SER A 49 -3.187 -0.906 -1.757 1.00 0.00 H new ATOM 0 HA SER A 49 -5.908 0.059 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.257 -1.857 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.142 -2.887 -2.521 1.00 0.00 H new ATOM 0 HG SER A 49 -7.273 -2.933 -3.471 1.00 0.00 H new ATOM 790 N VAL A 50 -6.527 -0.586 -0.002 1.00 0.00 N ATOM 791 CA VAL A 50 -6.830 -0.840 1.404 1.00 0.00 C ATOM 792 C VAL A 50 -7.916 -1.899 1.525 1.00 0.00 C ATOM 793 O VAL A 50 -9.050 -1.686 1.094 1.00 0.00 O ATOM 794 CB VAL A 50 -7.306 0.449 2.072 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.351 0.251 3.588 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.340 1.584 1.732 1.00 0.00 C ATOM 0 H VAL A 50 -7.195 0.023 -0.475 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.925 -1.196 1.897 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.303 0.701 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.691 1.170 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.040 -0.559 3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.355 -0.000 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.678 2.504 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.343 1.334 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.309 1.724 0.651 1.00 0.00 H new ATOM 806 N ILE A 51 -7.566 -3.041 2.114 1.00 0.00 N ATOM 807 CA ILE A 51 -8.519 -4.133 2.292 1.00 0.00 C ATOM 808 C ILE A 51 -8.771 -4.369 3.777 1.00 0.00 C ATOM 809 O ILE A 51 -7.967 -5.003 4.462 1.00 0.00 O ATOM 810 CB ILE A 51 -7.963 -5.411 1.658 1.00 0.00 C ATOM 811 CG1 ILE A 51 -7.613 -5.143 0.193 1.00 0.00 C ATOM 812 CG2 ILE A 51 -9.017 -6.514 1.720 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.861 -6.347 -0.375 1.00 0.00 C ATOM 0 H ILE A 51 -6.632 -3.233 2.475 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.459 -3.866 1.808 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.071 -5.722 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.521 -4.962 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.000 -4.245 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.620 -7.423 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.278 -6.710 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.907 -6.198 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.610 -6.160 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.946 -6.507 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.490 -7.234 -0.307 1.00 0.00 H new ATOM 825 N VAL A 52 -9.900 -3.861 4.258 1.00 0.00 N ATOM 826 CA VAL A 52 -10.272 -4.024 5.659 1.00 0.00 C ATOM 827 C VAL A 52 -10.758 -5.452 5.926 1.00 0.00 C ATOM 828 O VAL A 52 -10.451 -6.032 6.967 1.00 0.00 O ATOM 829 CB VAL A 52 -11.382 -3.015 6.042 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.203 -2.557 7.492 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.317 -1.801 5.106 1.00 0.00 C ATOM 0 H VAL A 52 -10.572 -3.334 3.700 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.389 -3.833 6.269 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.353 -3.501 5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.990 -1.848 7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.261 -3.420 8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.231 -2.077 7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.099 -1.091 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.343 -1.321 5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.463 -2.127 4.076 1.00 0.00 H new ATOM 841 N PRO A 53 -11.522 -6.015 5.019 1.00 0.00 N ATOM 842 CA PRO A 53 -12.075 -7.395 5.179 1.00 0.00 C ATOM 843 C PRO A 53 -10.988 -8.424 5.479 1.00 0.00 C ATOM 844 O PRO A 53 -11.200 -9.371 6.238 1.00 0.00 O ATOM 845 CB PRO A 53 -12.752 -7.675 3.824 1.00 0.00 C ATOM 846 CG PRO A 53 -13.063 -6.329 3.255 1.00 0.00 C ATOM 847 CD PRO A 53 -11.944 -5.410 3.738 1.00 0.00 C ATOM 0 HA PRO A 53 -12.761 -7.467 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.093 -8.239 3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.658 -8.267 3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.100 -6.363 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.036 -5.975 3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.122 -5.371 3.024 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.296 -4.388 3.875 1.00 0.00 H new ATOM 855 N SER A 54 -9.823 -8.232 4.869 1.00 0.00 N ATOM 856 CA SER A 54 -8.693 -9.141 5.055 1.00 0.00 C ATOM 857 C SER A 54 -7.575 -8.460 5.831 1.00 0.00 C ATOM 858 O SER A 54 -6.438 -8.931 5.823 1.00 0.00 O ATOM 859 CB SER A 54 -8.157 -9.599 3.700 1.00 0.00 C ATOM 860 OG SER A 54 -7.255 -10.679 3.899 1.00 0.00 O ATOM 0 H SER A 54 -9.634 -7.452 4.239 1.00 0.00 H new ATOM 0 HA SER A 54 -9.044 -10.004 5.621 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.979 -9.910 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.652 -8.775 3.197 1.00 0.00 H new ATOM 0 HG SER A 54 -6.687 -10.492 4.676 1.00 0.00 H new ATOM 866 N ARG A 55 -7.907 -7.356 6.503 1.00 0.00 N ATOM 867 CA ARG A 55 -6.923 -6.608 7.296 1.00 0.00 C ATOM 868 C ARG A 55 -5.543 -6.666 6.654 1.00 0.00 C ATOM 869 O ARG A 55 -4.534 -6.851 7.338 1.00 0.00 O ATOM 870 CB ARG A 55 -6.846 -7.178 8.717 1.00 0.00 C ATOM 871 CG ARG A 55 -6.546 -8.682 8.662 1.00 0.00 C ATOM 872 CD ARG A 55 -6.284 -9.206 10.071 1.00 0.00 C ATOM 873 NE ARG A 55 -7.481 -9.064 10.885 1.00 0.00 N ATOM 874 CZ ARG A 55 -7.457 -9.325 12.186 1.00 0.00 C ATOM 875 NH1 ARG A 55 -6.349 -9.722 12.747 1.00 0.00 N ATOM 876 NH2 ARG A 55 -8.540 -9.189 12.899 1.00 0.00 N ATOM 0 H ARG A 55 -8.846 -6.959 6.516 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.247 -5.568 7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.069 -6.664 9.283 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.787 -7.005 9.239 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.386 -9.214 8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.679 -8.867 8.028 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.985 -10.253 10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.459 -8.657 10.524 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.352 -8.759 10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.504 -9.831 12.186 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.327 -9.923 13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.406 -8.882 12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.521 -9.390 13.899 1.00 0.00 H new ATOM 890 N THR A 56 -5.507 -6.527 5.332 1.00 0.00 N ATOM 891 CA THR A 56 -4.251 -6.584 4.583 1.00 0.00 C ATOM 892 C THR A 56 -4.097 -5.343 3.717 1.00 0.00 C ATOM 893 O THR A 56 -5.022 -4.952 3.008 1.00 0.00 O ATOM 894 CB THR A 56 -4.235 -7.824 3.693 1.00 0.00 C ATOM 895 OG1 THR A 56 -4.455 -8.981 4.491 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.876 -7.933 3.002 1.00 0.00 C ATOM 0 H THR A 56 -6.334 -6.374 4.754 1.00 0.00 H new ATOM 0 HA THR A 56 -3.425 -6.631 5.292 1.00 0.00 H new ATOM 0 HB THR A 56 -5.021 -7.746 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.408 -9.054 4.706 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.861 -8.818 2.366 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.705 -7.045 2.393 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.091 -8.014 3.754 1.00 0.00 H new ATOM 904 N VAL A 57 -2.918 -4.731 3.775 1.00 0.00 N ATOM 905 CA VAL A 57 -2.638 -3.531 2.987 1.00 0.00 C ATOM 906 C VAL A 57 -1.466 -3.792 2.055 1.00 0.00 C ATOM 907 O VAL A 57 -0.415 -4.270 2.481 1.00 0.00 O ATOM 908 CB VAL A 57 -2.300 -2.362 3.918 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.803 -1.171 3.092 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.551 -1.957 4.700 1.00 0.00 C ATOM 0 H VAL A 57 -2.141 -5.044 4.358 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.520 -3.278 2.399 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.518 -2.667 4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.564 -0.341 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.911 -1.460 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.581 -0.863 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.312 -1.125 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.333 -1.653 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.900 -2.803 5.291 1.00 0.00 H new ATOM 920 N ILE A 58 -1.656 -3.471 0.779 1.00 0.00 N ATOM 921 CA ILE A 58 -0.615 -3.669 -0.225 1.00 0.00 C ATOM 922 C ILE A 58 -0.312 -2.353 -0.934 1.00 0.00 C ATOM 923 O ILE A 58 -1.206 -1.551 -1.190 1.00 0.00 O ATOM 924 CB ILE A 58 -1.078 -4.726 -1.249 1.00 0.00 C ATOM 925 CG1 ILE A 58 -2.203 -4.145 -2.160 1.00 0.00 C ATOM 926 CG2 ILE A 58 -1.608 -5.976 -0.501 1.00 0.00 C ATOM 927 CD1 ILE A 58 -1.632 -3.729 -3.523 1.00 0.00 C ATOM 0 H ILE A 58 -2.522 -3.072 0.415 1.00 0.00 H new ATOM 0 HA ILE A 58 0.293 -4.018 0.266 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.230 -5.005 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.987 -4.890 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.664 -3.285 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.935 -6.722 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.814 -6.394 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.449 -5.692 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.431 -3.326 -4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.865 -2.968 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.193 -4.598 -4.014 1.00 0.00 H new ATOM 939 N VAL A 59 0.962 -2.140 -1.246 1.00 0.00 N ATOM 940 CA VAL A 59 1.381 -0.920 -1.928 1.00 0.00 C ATOM 941 C VAL A 59 2.597 -1.196 -2.806 1.00 0.00 C ATOM 942 O VAL A 59 3.519 -1.903 -2.400 1.00 0.00 O ATOM 943 CB VAL A 59 1.708 0.166 -0.900 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.686 -0.389 0.131 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.342 1.375 -1.600 1.00 0.00 C ATOM 0 H VAL A 59 1.719 -2.792 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 59 0.565 -0.573 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 59 0.788 0.478 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.920 0.384 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.236 -1.244 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.602 -0.704 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.572 2.143 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.260 1.066 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.645 1.776 -2.336 1.00 0.00 H new ATOM 955 N VAL A 60 2.600 -0.621 -4.006 1.00 0.00 N ATOM 956 CA VAL A 60 3.717 -0.794 -4.931 1.00 0.00 C ATOM 957 C VAL A 60 4.534 0.491 -4.988 1.00 0.00 C ATOM 958 O VAL A 60 3.993 1.574 -5.210 1.00 0.00 O ATOM 959 CB VAL A 60 3.191 -1.132 -6.325 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.374 -1.424 -7.251 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.283 -2.364 -6.244 1.00 0.00 C ATOM 0 H VAL A 60 1.845 -0.034 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 60 4.349 -1.611 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 60 2.620 -0.290 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.005 -1.666 -8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.018 -0.547 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.943 -2.268 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.908 -2.605 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.851 -3.209 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.444 -2.155 -5.580 1.00 0.00 H new ATOM 971 N HIS A 61 5.838 0.359 -4.776 1.00 0.00 N ATOM 972 CA HIS A 61 6.734 1.512 -4.784 1.00 0.00 C ATOM 973 C HIS A 61 8.154 1.082 -5.134 1.00 0.00 C ATOM 974 O HIS A 61 8.498 -0.096 -5.044 1.00 0.00 O ATOM 975 CB HIS A 61 6.727 2.183 -3.407 1.00 0.00 C ATOM 976 CG HIS A 61 7.454 1.314 -2.415 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.756 1.568 -2.014 1.00 0.00 N ATOM 978 CD2 HIS A 61 7.070 0.182 -1.741 1.00 0.00 C ATOM 979 CE1 HIS A 61 9.105 0.610 -1.135 1.00 0.00 C ATOM 980 NE2 HIS A 61 8.112 -0.259 -0.933 1.00 0.00 N ATOM 0 H HIS A 61 6.299 -0.533 -4.597 1.00 0.00 H new ATOM 0 HA HIS A 61 6.385 2.219 -5.537 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.204 3.161 -3.466 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.701 2.348 -3.077 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.104 -0.294 -1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.070 0.552 -0.653 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.117 -1.072 -0.318 1.00 0.00 H new ATOM 989 N ASP A 62 8.977 2.047 -5.527 1.00 0.00 N ATOM 990 CA ASP A 62 10.367 1.765 -5.878 1.00 0.00 C ATOM 991 C ASP A 62 11.237 1.779 -4.627 1.00 0.00 C ATOM 992 O ASP A 62 11.343 2.799 -3.947 1.00 0.00 O ATOM 993 CB ASP A 62 10.882 2.804 -6.875 1.00 0.00 C ATOM 994 CG ASP A 62 12.219 2.356 -7.453 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.498 1.170 -7.400 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.948 3.206 -7.939 1.00 0.00 O ATOM 0 H ASP A 62 8.709 3.028 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 62 10.416 0.777 -6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.157 2.940 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.995 3.769 -6.381 1.00 0.00 H new ATOM 1001 N SER A 63 11.850 0.640 -4.327 1.00 0.00 N ATOM 1002 CA SER A 63 12.704 0.529 -3.149 1.00 0.00 C ATOM 1003 C SER A 63 13.847 1.525 -3.223 1.00 0.00 C ATOM 1004 O SER A 63 14.201 2.156 -2.227 1.00 0.00 O ATOM 1005 CB SER A 63 13.268 -0.887 -3.042 1.00 0.00 C ATOM 1006 OG SER A 63 14.350 -0.891 -2.118 1.00 0.00 O ATOM 0 H SER A 63 11.773 -0.215 -4.878 1.00 0.00 H new ATOM 0 HA SER A 63 12.102 0.747 -2.267 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.491 -1.577 -2.713 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.607 -1.231 -4.019 1.00 0.00 H new ATOM 0 HG SER A 63 14.714 -1.798 -2.045 1.00 0.00 H new ATOM 1012 N LEU A 64 14.431 1.660 -4.403 1.00 0.00 N ATOM 1013 CA LEU A 64 15.541 2.580 -4.576 1.00 0.00 C ATOM 1014 C LEU A 64 15.114 4.011 -4.280 1.00 0.00 C ATOM 1015 O LEU A 64 15.784 4.724 -3.534 1.00 0.00 O ATOM 1016 CB LEU A 64 16.056 2.495 -6.017 1.00 0.00 C ATOM 1017 CG LEU A 64 17.196 3.529 -6.251 1.00 0.00 C ATOM 1018 CD1 LEU A 64 18.318 2.899 -7.087 1.00 0.00 C ATOM 1019 CD2 LEU A 64 16.655 4.762 -7.000 1.00 0.00 C ATOM 0 H LEU A 64 14.159 1.151 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 64 16.330 2.301 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.423 1.489 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.239 2.683 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 64 17.585 3.832 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 64 19.110 3.631 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 64 18.723 2.035 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.920 2.583 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.463 5.476 -7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.251 4.454 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.867 5.230 -6.410 1.00 0.00 H new ATOM 1031 N LEU A 65 14.000 4.435 -4.871 1.00 0.00 N ATOM 1032 CA LEU A 65 13.518 5.791 -4.655 1.00 0.00 C ATOM 1033 C LEU A 65 13.077 5.979 -3.203 1.00 0.00 C ATOM 1034 O LEU A 65 13.436 6.959 -2.552 1.00 0.00 O ATOM 1035 CB LEU A 65 12.342 6.077 -5.600 1.00 0.00 C ATOM 1036 CG LEU A 65 12.166 7.591 -5.803 1.00 0.00 C ATOM 1037 CD1 LEU A 65 11.136 7.836 -6.912 1.00 0.00 C ATOM 1038 CD2 LEU A 65 11.705 8.265 -4.493 1.00 0.00 C ATOM 0 H LEU A 65 13.424 3.868 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 65 14.329 6.489 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.515 5.594 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.427 5.651 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 65 13.123 8.025 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.008 8.908 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.485 7.381 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.182 7.393 -6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.586 9.336 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.752 7.838 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.451 8.098 -3.716 1.00 0.00 H new ATOM 1050 N ILE A 66 12.304 5.022 -2.698 1.00 0.00 N ATOM 1051 CA ILE A 66 11.815 5.086 -1.320 1.00 0.00 C ATOM 1052 C ILE A 66 11.814 3.701 -0.698 1.00 0.00 C ATOM 1053 O ILE A 66 11.389 2.732 -1.321 1.00 0.00 O ATOM 1054 CB ILE A 66 10.398 5.659 -1.297 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.966 5.879 0.155 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.432 4.687 -1.976 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.618 6.602 0.183 1.00 0.00 C ATOM 0 H ILE A 66 12.003 4.197 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 66 12.476 5.733 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 66 10.384 6.608 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.888 4.922 0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.717 6.466 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.424 5.102 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.740 4.531 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.443 3.734 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.311 6.759 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.712 7.566 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.870 5.998 -0.330 1.00 0.00 H new ATOM 1069 N SER A 67 12.292 3.616 0.538 1.00 0.00 N ATOM 1070 CA SER A 67 12.349 2.336 1.234 1.00 0.00 C ATOM 1071 C SER A 67 10.984 1.994 1.848 1.00 0.00 C ATOM 1072 O SER A 67 10.184 2.884 2.134 1.00 0.00 O ATOM 1073 CB SER A 67 13.429 2.390 2.335 1.00 0.00 C ATOM 1074 OG SER A 67 13.604 3.737 2.748 1.00 0.00 O ATOM 0 H SER A 67 12.642 4.410 1.075 1.00 0.00 H new ATOM 0 HA SER A 67 12.607 1.557 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.133 1.772 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.369 1.987 1.959 1.00 0.00 H new ATOM 0 HG SER A 67 14.288 3.778 3.449 1.00 0.00 H new ATOM 1080 N PRO A 68 10.719 0.728 2.060 1.00 0.00 N ATOM 1081 CA PRO A 68 9.434 0.258 2.665 1.00 0.00 C ATOM 1082 C PRO A 68 9.260 0.769 4.098 1.00 0.00 C ATOM 1083 O PRO A 68 8.140 0.935 4.578 1.00 0.00 O ATOM 1084 CB PRO A 68 9.548 -1.283 2.623 1.00 0.00 C ATOM 1085 CG PRO A 68 11.013 -1.566 2.519 1.00 0.00 C ATOM 1086 CD PRO A 68 11.616 -0.399 1.744 1.00 0.00 C ATOM 0 HA PRO A 68 8.561 0.630 2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.123 -1.734 3.520 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.006 -1.695 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.464 -1.652 3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.192 -2.510 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.640 -0.196 2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.644 -0.601 0.673 1.00 0.00 H new ATOM 1094 N PHE A 69 10.377 1.013 4.772 1.00 0.00 N ATOM 1095 CA PHE A 69 10.333 1.498 6.144 1.00 0.00 C ATOM 1096 C PHE A 69 9.663 2.865 6.212 1.00 0.00 C ATOM 1097 O PHE A 69 8.935 3.161 7.158 1.00 0.00 O ATOM 1098 CB PHE A 69 11.749 1.591 6.716 1.00 0.00 C ATOM 1099 CG PHE A 69 12.305 0.202 6.917 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.006 -0.509 8.086 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.123 -0.375 5.939 1.00 0.00 C ATOM 1102 CE1 PHE A 69 12.522 -1.797 8.276 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.639 -1.663 6.127 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.340 -2.374 7.296 1.00 0.00 C ATOM 0 H PHE A 69 11.316 0.884 4.395 1.00 0.00 H new ATOM 0 HA PHE A 69 9.750 0.792 6.736 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.390 2.156 6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.735 2.129 7.664 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.377 -0.063 8.842 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.356 0.174 5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.290 -2.345 9.177 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.268 -2.108 5.370 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.740 -3.367 7.442 1.00 0.00 H new ATOM 1114 N GLN A 70 9.913 3.694 5.207 1.00 0.00 N ATOM 1115 CA GLN A 70 9.332 5.025 5.173 1.00 0.00 C ATOM 1116 C GLN A 70 7.811 4.941 5.124 1.00 0.00 C ATOM 1117 O GLN A 70 7.117 5.715 5.783 1.00 0.00 O ATOM 1118 CB GLN A 70 9.852 5.783 3.945 1.00 0.00 C ATOM 1119 CG GLN A 70 9.391 7.239 4.004 1.00 0.00 C ATOM 1120 CD GLN A 70 10.080 7.959 5.157 1.00 0.00 C ATOM 1121 OE1 GLN A 70 9.417 8.566 5.998 1.00 0.00 O ATOM 1122 NE2 GLN A 70 11.382 7.925 5.248 1.00 0.00 N ATOM 0 H GLN A 70 10.510 3.469 4.411 1.00 0.00 H new ATOM 0 HA GLN A 70 9.622 5.559 6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.941 5.737 3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.485 5.312 3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.620 7.740 3.063 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.309 7.281 4.133 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.929 7.421 4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.852 8.402 6.017 1.00 0.00 H new ATOM 1131 N ILE A 71 7.296 4.002 4.339 1.00 0.00 N ATOM 1132 CA ILE A 71 5.854 3.836 4.218 1.00 0.00 C ATOM 1133 C ILE A 71 5.247 3.431 5.559 1.00 0.00 C ATOM 1134 O ILE A 71 4.212 3.958 5.967 1.00 0.00 O ATOM 1135 CB ILE A 71 5.541 2.766 3.166 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.947 3.279 1.780 1.00 0.00 C ATOM 1137 CG2 ILE A 71 4.039 2.459 3.173 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.932 2.117 0.785 1.00 0.00 C ATOM 0 H ILE A 71 7.849 3.350 3.782 1.00 0.00 H new ATOM 0 HA ILE A 71 5.419 4.787 3.910 1.00 0.00 H new ATOM 0 HB ILE A 71 6.098 1.858 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.261 4.061 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.941 3.724 1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.820 1.698 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.747 2.094 4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.481 3.367 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.220 2.479 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.635 1.351 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.929 1.692 0.737 1.00 0.00 H new ATOM 1150 N ALA A 72 5.896 2.492 6.240 1.00 0.00 N ATOM 1151 CA ALA A 72 5.406 2.023 7.532 1.00 0.00 C ATOM 1152 C ALA A 72 5.446 3.147 8.559 1.00 0.00 C ATOM 1153 O ALA A 72 4.499 3.335 9.325 1.00 0.00 O ATOM 1154 CB ALA A 72 6.265 0.854 8.016 1.00 0.00 C ATOM 0 H ALA A 72 6.755 2.044 5.923 1.00 0.00 H new ATOM 0 HA ALA A 72 4.374 1.693 7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.896 0.507 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.212 0.040 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.300 1.181 8.119 1.00 0.00 H new ATOM 1160 N LYS A 73 6.543 3.894 8.568 1.00 0.00 N ATOM 1161 CA LYS A 73 6.694 5.001 9.503 1.00 0.00 C ATOM 1162 C LYS A 73 5.636 6.067 9.247 1.00 0.00 C ATOM 1163 O LYS A 73 5.080 6.636 10.184 1.00 0.00 O ATOM 1164 CB LYS A 73 8.086 5.620 9.369 1.00 0.00 C ATOM 1165 CG LYS A 73 9.133 4.663 9.945 1.00 0.00 C ATOM 1166 CD LYS A 73 10.527 5.268 9.774 1.00 0.00 C ATOM 1167 CE LYS A 73 11.570 4.322 10.370 1.00 0.00 C ATOM 1168 NZ LYS A 73 12.929 4.910 10.203 1.00 0.00 N ATOM 0 H LYS A 73 7.337 3.755 7.942 1.00 0.00 H new ATOM 0 HA LYS A 73 6.568 4.613 10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.304 5.825 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.123 6.574 9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.932 4.480 11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.078 3.700 9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.735 5.436 8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.577 6.239 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.362 4.154 11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.519 3.351 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.638 4.266 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.125 5.048 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.973 5.826 10.693 1.00 0.00 H new ATOM 1182 N ALA A 74 5.360 6.331 7.975 1.00 0.00 N ATOM 1183 CA ALA A 74 4.368 7.336 7.614 1.00 0.00 C ATOM 1184 C ALA A 74 3.013 6.992 8.227 1.00 0.00 C ATOM 1185 O ALA A 74 2.298 7.869 8.709 1.00 0.00 O ATOM 1186 CB ALA A 74 4.242 7.414 6.090 1.00 0.00 C ATOM 0 H ALA A 74 5.805 5.868 7.183 1.00 0.00 H new ATOM 0 HA ALA A 74 4.692 8.302 8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.499 8.166 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.205 7.687 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.932 6.444 5.700 1.00 0.00 H new ATOM 1192 N LEU A 75 2.671 5.711 8.206 1.00 0.00 N ATOM 1193 CA LEU A 75 1.403 5.256 8.766 1.00 0.00 C ATOM 1194 C LEU A 75 1.374 5.460 10.277 1.00 0.00 C ATOM 1195 O LEU A 75 0.347 5.831 10.846 1.00 0.00 O ATOM 1196 CB LEU A 75 1.190 3.780 8.439 1.00 0.00 C ATOM 1197 CG LEU A 75 0.984 3.611 6.926 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.000 2.120 6.577 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.357 4.241 6.479 1.00 0.00 C ATOM 0 H LEU A 75 3.250 4.971 7.810 1.00 0.00 H new ATOM 0 HA LEU A 75 0.600 5.845 8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.051 3.197 8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.323 3.399 8.979 1.00 0.00 H new ATOM 0 HG LEU A 75 1.792 4.122 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.854 1.996 5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.959 1.689 6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.198 1.612 7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.481 4.109 5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.180 3.754 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.356 5.305 6.716 1.00 0.00 H new ATOM 1211 N ASN A 76 2.506 5.204 10.920 1.00 0.00 N ATOM 1212 CA ASN A 76 2.604 5.349 12.367 1.00 0.00 C ATOM 1213 C ASN A 76 2.363 6.800 12.781 1.00 0.00 C ATOM 1214 O ASN A 76 1.730 7.065 13.802 1.00 0.00 O ATOM 1215 CB ASN A 76 3.988 4.904 12.842 1.00 0.00 C ATOM 1216 CG ASN A 76 4.094 3.384 12.797 1.00 0.00 C ATOM 1217 OD1 ASN A 76 3.438 2.692 13.577 1.00 0.00 O ATOM 1218 ND2 ASN A 76 4.884 2.819 11.924 1.00 0.00 N ATOM 0 H ASN A 76 3.366 4.896 10.465 1.00 0.00 H new ATOM 0 HA ASN A 76 1.841 4.722 12.828 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.758 5.349 12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.164 5.259 13.858 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.959 1.802 11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.426 3.394 11.279 1.00 0.00 H new ATOM 1225 N GLU A 77 2.878 7.732 11.985 1.00 0.00 N ATOM 1226 CA GLU A 77 2.718 9.153 12.289 1.00 0.00 C ATOM 1227 C GLU A 77 1.262 9.472 12.589 1.00 0.00 C ATOM 1228 O GLU A 77 0.962 10.336 13.414 1.00 0.00 O ATOM 1229 CB GLU A 77 3.190 9.994 11.101 1.00 0.00 C ATOM 1230 CG GLU A 77 4.708 9.884 10.967 1.00 0.00 C ATOM 1231 CD GLU A 77 5.174 10.585 9.696 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.332 11.145 9.012 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.361 10.549 9.425 1.00 0.00 O ATOM 0 H GLU A 77 3.404 7.534 11.134 1.00 0.00 H new ATOM 0 HA GLU A 77 3.320 9.390 13.166 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.708 9.651 10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.902 11.036 11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.191 10.331 11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.004 8.835 10.942 1.00 0.00 H new ATOM 1240 N ALA A 78 0.358 8.767 11.921 1.00 0.00 N ATOM 1241 CA ALA A 78 -1.068 8.979 12.131 1.00 0.00 C ATOM 1242 C ALA A 78 -1.545 8.209 13.352 1.00 0.00 C ATOM 1243 O ALA A 78 -2.616 7.604 13.329 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.861 8.524 10.907 1.00 0.00 C ATOM 0 H ALA A 78 0.585 8.048 11.234 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.232 10.045 12.291 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.924 8.689 11.080 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.543 9.095 10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.683 7.463 10.732 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.747 8.236 14.420 1.00 0.00 N ATOM 1251 CA ARG A 79 -1.107 7.539 15.658 1.00 0.00 C ATOM 1252 C ARG A 79 -1.701 6.174 15.351 1.00 0.00 C ATOM 1253 O ARG A 79 -2.460 5.623 16.150 1.00 0.00 O ATOM 1254 CB ARG A 79 -2.111 8.366 16.486 1.00 0.00 C ATOM 1255 CG ARG A 79 -3.412 8.596 15.699 1.00 0.00 C ATOM 1256 CD ARG A 79 -4.461 9.218 16.607 1.00 0.00 C ATOM 1257 NE ARG A 79 -5.680 9.445 15.845 1.00 0.00 N ATOM 1258 CZ ARG A 79 -6.781 9.883 16.433 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -6.778 10.116 17.713 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -7.862 10.081 15.730 1.00 0.00 N ATOM 0 H ARG A 79 0.146 8.728 14.455 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.196 7.409 16.241 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.332 7.848 17.419 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -1.667 9.326 16.751 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.222 9.249 14.847 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.778 7.650 15.300 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.664 8.560 17.452 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.093 10.159 17.016 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.685 9.263 14.841 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.930 9.961 18.258 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.624 10.454 18.172 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.858 9.898 14.727 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.711 10.419 16.184 1.00 0.00 H new ATOM 1274 N LEU A 80 -1.369 5.641 14.184 1.00 0.00 N ATOM 1275 CA LEU A 80 -1.897 4.347 13.771 1.00 0.00 C ATOM 1276 C LEU A 80 -0.995 3.221 14.261 1.00 0.00 C ATOM 1277 O LEU A 80 -0.508 3.249 15.391 1.00 0.00 O ATOM 1278 CB LEU A 80 -2.014 4.293 12.240 1.00 0.00 C ATOM 1279 CG LEU A 80 -3.046 3.225 11.820 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -4.457 3.830 11.798 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -2.704 2.692 10.424 1.00 0.00 C ATOM 0 H LEU A 80 -0.741 6.080 13.510 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.886 4.219 14.212 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.313 5.268 11.857 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.043 4.062 11.802 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.016 2.409 12.542 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.176 3.066 11.500 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.710 4.199 12.792 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.488 4.655 11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.436 1.938 10.133 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.723 3.512 9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.710 2.246 10.439 1.00 0.00 H new ATOM 1293 N GLU A 81 -0.780 2.236 13.398 1.00 0.00 N ATOM 1294 CA GLU A 81 0.064 1.102 13.744 1.00 0.00 C ATOM 1295 C GLU A 81 0.255 0.195 12.532 1.00 0.00 C ATOM 1296 O GLU A 81 -0.626 -0.598 12.195 1.00 0.00 O ATOM 1297 CB GLU A 81 -0.574 0.301 14.880 1.00 0.00 C ATOM 1298 CG GLU A 81 0.444 -0.695 15.433 1.00 0.00 C ATOM 1299 CD GLU A 81 1.537 0.052 16.191 1.00 0.00 C ATOM 1300 OE1 GLU A 81 1.379 1.245 16.393 1.00 0.00 O ATOM 1301 OE2 GLU A 81 2.513 -0.579 16.559 1.00 0.00 O ATOM 0 H GLU A 81 -1.176 2.200 12.459 1.00 0.00 H new ATOM 0 HA GLU A 81 1.035 1.479 14.066 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.908 0.973 15.671 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.456 -0.227 14.517 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.051 -1.405 16.096 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.882 -1.271 14.618 1.00 0.00 H new ATOM 1308 N ALA A 82 1.411 0.313 11.881 1.00 0.00 N ATOM 1309 CA ALA A 82 1.712 -0.502 10.702 1.00 0.00 C ATOM 1310 C ALA A 82 3.175 -0.930 10.710 1.00 0.00 C ATOM 1311 O ALA A 82 4.039 -0.226 11.236 1.00 0.00 O ATOM 1312 CB ALA A 82 1.408 0.293 9.425 1.00 0.00 C ATOM 0 H ALA A 82 2.152 0.961 12.147 1.00 0.00 H new ATOM 0 HA ALA A 82 1.087 -1.394 10.727 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.634 -0.320 8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.354 0.569 9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.020 1.195 9.404 1.00 0.00 H new ATOM 1318 N ASN A 83 3.446 -2.088 10.120 1.00 0.00 N ATOM 1319 CA ASN A 83 4.810 -2.605 10.056 1.00 0.00 C ATOM 1320 C ASN A 83 4.973 -3.540 8.861 1.00 0.00 C ATOM 1321 O ASN A 83 3.998 -4.088 8.350 1.00 0.00 O ATOM 1322 CB ASN A 83 5.143 -3.350 11.350 1.00 0.00 C ATOM 1323 CG ASN A 83 3.990 -4.271 11.730 1.00 0.00 C ATOM 1324 OD1 ASN A 83 3.582 -4.309 12.891 1.00 0.00 O ATOM 1325 ND2 ASN A 83 3.436 -5.017 10.818 1.00 0.00 N ATOM 0 H ASN A 83 2.745 -2.685 9.681 1.00 0.00 H new ATOM 0 HA ASN A 83 5.496 -1.766 9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.056 -3.931 11.221 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.330 -2.637 12.153 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.662 -5.634 11.065 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.775 -4.984 9.857 1.00 0.00 H new ATOM 1332 N VAL A 84 6.214 -3.714 8.421 1.00 0.00 N ATOM 1333 CA VAL A 84 6.497 -4.582 7.284 1.00 0.00 C ATOM 1334 C VAL A 84 6.287 -6.041 7.665 1.00 0.00 C ATOM 1335 O VAL A 84 6.539 -6.434 8.806 1.00 0.00 O ATOM 1336 CB VAL A 84 7.937 -4.380 6.814 1.00 0.00 C ATOM 1337 CG1 VAL A 84 8.234 -5.320 5.641 1.00 0.00 C ATOM 1338 CG2 VAL A 84 8.127 -2.929 6.371 1.00 0.00 C ATOM 0 H VAL A 84 7.035 -3.269 8.831 1.00 0.00 H new ATOM 0 HA VAL A 84 5.814 -4.324 6.475 1.00 0.00 H new ATOM 0 HB VAL A 84 8.621 -4.603 7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.262 -5.173 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.100 -6.354 5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.552 -5.103 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.154 -2.783 6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.442 -2.706 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.921 -2.263 7.209 1.00 0.00 H new ATOM 1348 N ARG A 85 5.825 -6.842 6.705 1.00 0.00 N ATOM 1349 CA ARG A 85 5.586 -8.262 6.950 1.00 0.00 C ATOM 1350 C ARG A 85 6.687 -8.850 7.828 1.00 0.00 C ATOM 1351 O ARG A 85 7.800 -8.324 7.875 1.00 0.00 O ATOM 1352 CB ARG A 85 5.536 -9.019 5.619 1.00 0.00 C ATOM 1353 CG ARG A 85 6.866 -8.849 4.879 1.00 0.00 C ATOM 1354 CD ARG A 85 6.807 -9.595 3.546 1.00 0.00 C ATOM 1355 NE ARG A 85 8.085 -9.483 2.852 1.00 0.00 N ATOM 1356 CZ ARG A 85 8.360 -8.440 2.075 1.00 0.00 C ATOM 1357 NH1 ARG A 85 7.481 -7.489 1.925 1.00 0.00 N ATOM 1358 NH2 ARG A 85 9.513 -8.366 1.466 1.00 0.00 N ATOM 0 H ARG A 85 5.610 -6.533 5.757 1.00 0.00 H new ATOM 0 HA ARG A 85 4.632 -8.366 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.341 -10.076 5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.717 -8.643 5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.066 -7.791 4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.685 -9.234 5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.569 -10.645 3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.010 -9.185 2.926 1.00 0.00 H new ATOM 0 HE ARG A 85 8.782 -10.220 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.582 -7.545 2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.692 -6.689 1.329 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.202 -9.108 1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.724 -7.566 0.870 1.00 0.00 H new ATOM 1372 N VAL A 86 6.374 -9.939 8.526 1.00 0.00 N ATOM 1373 CA VAL A 86 7.348 -10.589 9.404 1.00 0.00 C ATOM 1374 C VAL A 86 7.379 -12.090 9.147 1.00 0.00 C ATOM 1375 O VAL A 86 6.367 -12.692 8.788 1.00 0.00 O ATOM 1376 CB VAL A 86 6.980 -10.327 10.864 1.00 0.00 C ATOM 1377 CG1 VAL A 86 7.087 -8.829 11.158 1.00 0.00 C ATOM 1378 CG2 VAL A 86 5.543 -10.791 11.119 1.00 0.00 C ATOM 0 H VAL A 86 5.459 -10.389 8.502 1.00 0.00 H new ATOM 0 HA VAL A 86 8.335 -10.177 9.196 1.00 0.00 H new ATOM 0 HB VAL A 86 7.663 -10.876 11.513 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.824 -8.643 12.199 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.108 -8.495 10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.405 -8.281 10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.280 -10.604 12.160 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.862 -10.242 10.469 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.463 -11.858 10.910 1.00 0.00 H new ATOM 1388 N ASN A 87 8.551 -12.686 9.334 1.00 0.00 N ATOM 1389 CA ASN A 87 8.712 -14.119 9.124 1.00 0.00 C ATOM 1390 C ASN A 87 7.879 -14.905 10.130 1.00 0.00 C ATOM 1391 O ASN A 87 7.283 -15.927 9.792 1.00 0.00 O ATOM 1392 CB ASN A 87 10.185 -14.505 9.262 1.00 0.00 C ATOM 1393 CG ASN A 87 10.980 -13.964 8.077 1.00 0.00 C ATOM 1394 OD1 ASN A 87 12.125 -13.539 8.240 1.00 0.00 O ATOM 1395 ND2 ASN A 87 10.443 -13.957 6.888 1.00 0.00 N ATOM 0 H ASN A 87 9.399 -12.202 9.629 1.00 0.00 H new ATOM 0 HA ASN A 87 8.367 -14.361 8.119 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.588 -14.107 10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.282 -15.590 9.311 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.971 -13.599 6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.495 -14.309 6.754 1.00 0.00 H new ATOM 1402 N GLY A 88 7.848 -14.420 11.370 1.00 0.00 N ATOM 1403 CA GLY A 88 7.089 -15.085 12.426 1.00 0.00 C ATOM 1404 C GLY A 88 7.945 -16.133 13.129 1.00 0.00 C ATOM 1405 O GLY A 88 7.432 -16.980 13.859 1.00 0.00 O ATOM 0 H GLY A 88 8.336 -13.575 11.666 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.741 -14.348 13.150 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.203 -15.557 12.001 1.00 0.00 H new ATOM 1409 N GLU A 89 9.255 -16.065 12.908 1.00 0.00 N ATOM 1410 CA GLU A 89 10.174 -17.009 13.530 1.00 0.00 C ATOM 1411 C GLU A 89 10.034 -16.967 15.048 1.00 0.00 C ATOM 1412 O GLU A 89 9.890 -15.897 15.638 1.00 0.00 O ATOM 1413 CB GLU A 89 11.615 -16.671 13.138 1.00 0.00 C ATOM 1414 CG GLU A 89 11.967 -15.265 13.632 1.00 0.00 C ATOM 1415 CD GLU A 89 13.359 -14.874 13.147 1.00 0.00 C ATOM 1416 OE1 GLU A 89 14.205 -15.749 13.071 1.00 0.00 O ATOM 1417 OE2 GLU A 89 13.556 -13.706 12.857 1.00 0.00 O ATOM 0 H GLU A 89 9.700 -15.371 12.307 1.00 0.00 H new ATOM 0 HA GLU A 89 9.929 -18.012 13.180 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.300 -17.401 13.569 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.730 -16.726 12.056 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.231 -14.548 13.267 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.930 -15.234 14.721 1.00 0.00 H new ATOM 1424 N THR A 90 10.078 -18.140 15.676 1.00 0.00 N ATOM 1425 CA THR A 90 9.955 -18.235 17.133 1.00 0.00 C ATOM 1426 C THR A 90 11.323 -18.467 17.768 1.00 0.00 C ATOM 1427 O THR A 90 11.448 -18.507 18.992 1.00 0.00 O ATOM 1428 CB THR A 90 9.018 -19.387 17.500 1.00 0.00 C ATOM 1429 OG1 THR A 90 9.594 -20.616 17.078 1.00 0.00 O ATOM 1430 CG2 THR A 90 7.666 -19.189 16.810 1.00 0.00 C ATOM 0 H THR A 90 10.197 -19.036 15.203 1.00 0.00 H new ATOM 0 HA THR A 90 9.545 -17.298 17.510 1.00 0.00 H new ATOM 0 HB THR A 90 8.871 -19.406 18.580 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.996 -21.356 17.314 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.000 -20.011 17.073 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.226 -18.247 17.136 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.808 -19.169 15.730 1.00 0.00 H new ATOM 1438 N SER A 91 12.344 -18.622 16.933 1.00 0.00 N ATOM 1439 CA SER A 91 13.694 -18.853 17.432 1.00 0.00 C ATOM 1440 C SER A 91 14.252 -17.586 18.076 1.00 0.00 C ATOM 1441 O SER A 91 13.941 -16.473 17.648 1.00 0.00 O ATOM 1442 CB SER A 91 14.607 -19.286 16.286 1.00 0.00 C ATOM 1443 OG SER A 91 14.470 -18.372 15.206 1.00 0.00 O ATOM 0 H SER A 91 12.264 -18.592 15.917 1.00 0.00 H new ATOM 0 HA SER A 91 13.653 -19.642 18.183 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.643 -19.316 16.623 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.348 -20.293 15.960 1.00 0.00 H new ATOM 0 HG SER A 91 15.056 -18.646 14.469 1.00 0.00 H new ATOM 1449 N PHE A 92 15.075 -17.765 19.103 1.00 0.00 N ATOM 1450 CA PHE A 92 15.671 -16.630 19.797 1.00 0.00 C ATOM 1451 C PHE A 92 16.766 -15.996 18.946 1.00 0.00 C ATOM 1452 O PHE A 92 17.066 -14.810 19.086 1.00 0.00 O ATOM 1453 CB PHE A 92 16.262 -17.087 21.133 1.00 0.00 C ATOM 1454 CG PHE A 92 16.884 -15.905 21.839 1.00 0.00 C ATOM 1455 CD1 PHE A 92 16.072 -15.003 22.536 1.00 0.00 C ATOM 1456 CD2 PHE A 92 18.271 -15.712 21.799 1.00 0.00 C ATOM 1457 CE1 PHE A 92 16.645 -13.907 23.193 1.00 0.00 C ATOM 1458 CE2 PHE A 92 18.843 -14.616 22.455 1.00 0.00 C ATOM 1459 CZ PHE A 92 18.032 -13.715 23.152 1.00 0.00 C ATOM 0 H PHE A 92 15.343 -18.678 19.471 1.00 0.00 H new ATOM 0 HA PHE A 92 14.892 -15.889 19.978 1.00 0.00 H new ATOM 0 HB2 PHE A 92 15.483 -17.528 21.756 1.00 0.00 H new ATOM 0 HB3 PHE A 92 17.012 -17.860 20.966 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.003 -15.152 22.567 1.00 0.00 H new ATOM 0 HD2 PHE A 92 18.898 -16.408 21.262 1.00 0.00 H new ATOM 0 HE1 PHE A 92 16.018 -13.211 23.731 1.00 0.00 H new ATOM 0 HE2 PHE A 92 19.912 -14.466 22.423 1.00 0.00 H new ATOM 0 HZ PHE A 92 18.475 -12.871 23.659 1.00 0.00 H new ATOM 1469 N LYS A 93 17.359 -16.794 18.065 1.00 0.00 N ATOM 1470 CA LYS A 93 18.422 -16.301 17.199 1.00 0.00 C ATOM 1471 C LYS A 93 19.550 -15.698 18.030 1.00 0.00 C ATOM 1472 O LYS A 93 19.453 -14.563 18.495 1.00 0.00 O ATOM 1473 CB LYS A 93 17.868 -15.243 16.238 1.00 0.00 C ATOM 1474 CG LYS A 93 18.968 -14.805 15.268 1.00 0.00 C ATOM 1475 CD LYS A 93 18.401 -13.787 14.276 1.00 0.00 C ATOM 1476 CE LYS A 93 19.501 -13.351 13.307 1.00 0.00 C ATOM 1477 NZ LYS A 93 19.745 -14.434 12.313 1.00 0.00 N ATOM 0 H LYS A 93 17.124 -17.778 17.932 1.00 0.00 H new ATOM 0 HA LYS A 93 18.816 -17.139 16.624 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.021 -15.648 15.684 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.501 -14.384 16.799 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.800 -14.366 15.819 1.00 0.00 H new ATOM 0 HG3 LYS A 93 19.361 -15.670 14.733 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.569 -14.225 13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.009 -12.922 14.811 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.208 -12.433 12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.418 -13.132 13.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.365 -14.079 11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.201 -15.241 12.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.839 -14.739 11.903 1.00 0.00 H new ATOM 1491 N ASN A 94 20.619 -16.467 18.213 1.00 0.00 N ATOM 1492 CA ASN A 94 21.759 -15.997 18.989 1.00 0.00 C ATOM 1493 C ASN A 94 22.630 -15.074 18.144 1.00 0.00 C ATOM 1494 O ASN A 94 22.891 -15.352 16.973 1.00 0.00 O ATOM 1495 CB ASN A 94 22.590 -17.187 19.469 1.00 0.00 C ATOM 1496 CG ASN A 94 21.824 -17.957 20.539 1.00 0.00 C ATOM 1497 OD1 ASN A 94 21.848 -19.188 20.558 1.00 0.00 O ATOM 1498 ND2 ASN A 94 21.145 -17.300 21.440 1.00 0.00 N ATOM 0 H ASN A 94 20.719 -17.410 17.838 1.00 0.00 H new ATOM 0 HA ASN A 94 21.388 -15.444 19.852 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.819 -17.844 18.630 1.00 0.00 H new ATOM 0 HB3 ASN A 94 23.542 -16.839 19.870 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.633 -17.806 22.162 1.00 0.00 H new ATOM 0 HD22 ASN A 94 21.127 -16.280 21.422 1.00 0.00 H new ATOM 1505 N LYS A 95 23.075 -13.976 18.745 1.00 0.00 N ATOM 1506 CA LYS A 95 23.919 -13.017 18.039 1.00 0.00 C ATOM 1507 C LYS A 95 23.392 -12.767 16.631 1.00 0.00 C ATOM 1508 O LYS A 95 22.275 -13.162 16.294 1.00 0.00 O ATOM 1509 CB LYS A 95 25.351 -13.550 17.965 1.00 0.00 C ATOM 1510 CG LYS A 95 25.912 -13.758 19.387 1.00 0.00 C ATOM 1511 CD LYS A 95 26.540 -12.452 19.914 1.00 0.00 C ATOM 1512 CE LYS A 95 28.002 -12.363 19.467 1.00 0.00 C ATOM 1513 NZ LYS A 95 28.516 -10.989 19.720 1.00 0.00 N ATOM 0 H LYS A 95 22.868 -13.728 19.712 1.00 0.00 H new ATOM 0 HA LYS A 95 23.905 -12.074 18.586 1.00 0.00 H new ATOM 0 HB2 LYS A 95 25.369 -14.492 17.417 1.00 0.00 H new ATOM 0 HB3 LYS A 95 25.980 -12.850 17.416 1.00 0.00 H new ATOM 0 HG2 LYS A 95 25.114 -14.081 20.056 1.00 0.00 H new ATOM 0 HG3 LYS A 95 26.660 -14.551 19.377 1.00 0.00 H new ATOM 0 HD2 LYS A 95 25.983 -11.593 19.540 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.480 -12.422 21.002 1.00 0.00 H new ATOM 0 HE2 LYS A 95 28.604 -13.093 20.008 1.00 0.00 H new ATOM 0 HE3 LYS A 95 28.085 -12.604 18.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 29.509 -10.928 19.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 27.948 -10.302 19.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 28.451 -10.776 20.736 1.00 0.00 H new ATOM 1527 N TRP A 96 24.203 -12.108 15.812 1.00 0.00 N ATOM 1528 CA TRP A 96 23.808 -11.810 14.443 1.00 0.00 C ATOM 1529 C TRP A 96 24.002 -13.033 13.554 1.00 0.00 C ATOM 1530 O TRP A 96 24.538 -14.015 14.041 1.00 0.00 O ATOM 1531 CB TRP A 96 24.638 -10.645 13.902 1.00 0.00 C ATOM 1532 CG TRP A 96 24.172 -10.305 12.523 1.00 0.00 C ATOM 1533 CD1 TRP A 96 24.859 -10.562 11.386 1.00 0.00 C ATOM 1534 CD2 TRP A 96 22.934 -9.653 12.116 1.00 0.00 C ATOM 1535 NE1 TRP A 96 24.121 -10.107 10.307 1.00 0.00 N ATOM 1536 CE2 TRP A 96 22.928 -9.539 10.706 1.00 0.00 C ATOM 1537 CE3 TRP A 96 21.829 -9.152 12.828 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 21.861 -8.952 10.024 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 20.754 -8.561 12.144 1.00 0.00 C ATOM 1540 CH2 TRP A 96 20.770 -8.460 10.746 1.00 0.00 C ATOM 1541 OXT TRP A 96 23.610 -12.972 12.400 1.00 0.00 O ATOM 0 H TRP A 96 25.131 -11.772 16.070 1.00 0.00 H new ATOM 0 HA TRP A 96 22.753 -11.535 14.439 1.00 0.00 H new ATOM 0 HB2 TRP A 96 24.539 -9.778 14.556 1.00 0.00 H new ATOM 0 HB3 TRP A 96 25.694 -10.913 13.886 1.00 0.00 H new ATOM 0 HD1 TRP A 96 25.824 -11.043 11.330 1.00 0.00 H new ATOM 0 HE1 TRP A 96 24.422 -10.182 9.335 1.00 0.00 H new ATOM 0 HE3 TRP A 96 21.807 -9.222 13.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 21.878 -8.879 8.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 19.909 -8.182 12.699 1.00 0.00 H new ATOM 0 HH2 TRP A 96 19.940 -8.003 10.227 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -12.712 4.133 12.090 1.00 0.00 ZN HETATM 1554 O HOH A 301 -14.132 5.521 13.033 1.00 0.00 O