USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 702 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 27:sc= 0.696 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 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -4.92 K(o=-4.9,f=-7.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -1.9 USER MOD Single : A 27 ASN : amide:sc= -0.338 K(o=-0.34,f=-2.9!) USER MOD Single : A 34 TYR OH : rot -14:sc= -0.0512 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 177:sc= -0.953 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.77 K(o=-0.77,f=-2.9) USER MOD Single : A 59 ASN : amide:sc= -2.85! C(o=-2.9!,f=-4.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -15:sc= 1.12 USER MOD Single : A 64 HIS : no HD1:sc= -0.0498 X(o=-0.05,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 78 MET CE :methyl 152:sc= -1.84! (180deg=-2.59!) USER MOD Single : A 82 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.11) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 84 SER OG : rot 39:sc= 0.226 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.934 17.020 -4.690 1.00 0.00 N ATOM 2 CA GLY A 1 9.643 17.974 -5.526 1.00 0.00 C ATOM 3 C GLY A 1 9.113 17.944 -6.961 1.00 0.00 C ATOM 4 O GLY A 1 8.095 18.566 -7.263 1.00 0.00 O ATOM 0 H1 GLY A 1 9.311 17.059 -3.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.921 17.256 -4.677 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.061 16.061 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.532 18.977 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.709 17.744 -5.523 1.00 0.00 H new ATOM 8 N SER A 2 9.826 17.216 -7.808 1.00 0.00 N ATOM 9 CA SER A 2 9.440 17.099 -9.203 1.00 0.00 C ATOM 10 C SER A 2 8.046 16.477 -9.309 1.00 0.00 C ATOM 11 O SER A 2 7.658 15.667 -8.469 1.00 0.00 O ATOM 12 CB SER A 2 10.454 16.264 -9.986 1.00 0.00 C ATOM 13 OG SER A 2 11.741 16.874 -10.014 1.00 0.00 O ATOM 0 H SER A 2 10.669 16.701 -7.554 1.00 0.00 H new ATOM 0 HA SER A 2 9.420 18.098 -9.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.532 15.274 -9.537 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.097 16.124 -11.006 1.00 0.00 H new ATOM 0 HG SER A 2 12.360 16.309 -10.522 1.00 0.00 H new ATOM 19 N SER A 3 7.331 16.881 -10.349 1.00 0.00 N ATOM 20 CA SER A 3 5.988 16.374 -10.576 1.00 0.00 C ATOM 21 C SER A 3 5.985 15.417 -11.770 1.00 0.00 C ATOM 22 O SER A 3 6.312 15.814 -12.888 1.00 0.00 O ATOM 23 CB SER A 3 5.000 17.518 -10.810 1.00 0.00 C ATOM 24 OG SER A 3 5.238 18.186 -12.046 1.00 0.00 O ATOM 0 H SER A 3 7.656 17.553 -11.044 1.00 0.00 H new ATOM 0 HA SER A 3 5.671 15.833 -9.684 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.983 17.126 -10.800 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.074 18.234 -9.991 1.00 0.00 H new ATOM 0 HG SER A 3 5.669 17.569 -12.674 1.00 0.00 H new ATOM 30 N GLY A 4 5.612 14.177 -11.493 1.00 0.00 N ATOM 31 CA GLY A 4 5.562 13.161 -12.531 1.00 0.00 C ATOM 32 C GLY A 4 5.504 11.759 -11.923 1.00 0.00 C ATOM 33 O GLY A 4 5.907 11.557 -10.778 1.00 0.00 O ATOM 0 H GLY A 4 5.341 13.852 -10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.689 13.324 -13.162 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.439 13.247 -13.172 1.00 0.00 H new ATOM 37 N SER A 5 4.999 10.824 -12.716 1.00 0.00 N ATOM 38 CA SER A 5 4.884 9.447 -12.270 1.00 0.00 C ATOM 39 C SER A 5 3.909 9.357 -11.094 1.00 0.00 C ATOM 40 O SER A 5 3.817 10.282 -10.288 1.00 0.00 O ATOM 41 CB SER A 5 6.248 8.880 -11.872 1.00 0.00 C ATOM 42 OG SER A 5 7.191 8.961 -12.938 1.00 0.00 O ATOM 0 H SER A 5 4.665 10.994 -13.665 1.00 0.00 H new ATOM 0 HA SER A 5 4.501 8.851 -13.098 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.629 9.425 -11.008 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.133 7.840 -11.567 1.00 0.00 H new ATOM 0 HG SER A 5 8.049 8.591 -12.644 1.00 0.00 H new ATOM 48 N SER A 6 3.206 8.236 -11.033 1.00 0.00 N ATOM 49 CA SER A 6 2.241 8.015 -9.970 1.00 0.00 C ATOM 50 C SER A 6 2.941 7.423 -8.744 1.00 0.00 C ATOM 51 O SER A 6 3.186 6.220 -8.685 1.00 0.00 O ATOM 52 CB SER A 6 1.113 7.090 -10.433 1.00 0.00 C ATOM 53 OG SER A 6 -0.167 7.701 -10.293 1.00 0.00 O ATOM 0 H SER A 6 3.286 7.471 -11.703 1.00 0.00 H new ATOM 0 HA SER A 6 1.801 8.976 -9.703 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.273 6.817 -11.476 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.140 6.167 -9.854 1.00 0.00 H new ATOM 0 HG SER A 6 -0.861 7.081 -10.600 1.00 0.00 H new ATOM 59 N GLY A 7 3.242 8.298 -7.796 1.00 0.00 N ATOM 60 CA GLY A 7 3.909 7.879 -6.575 1.00 0.00 C ATOM 61 C GLY A 7 2.923 7.211 -5.614 1.00 0.00 C ATOM 62 O GLY A 7 3.188 6.124 -5.103 1.00 0.00 O ATOM 0 H GLY A 7 3.036 9.296 -7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.714 7.185 -6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.366 8.742 -6.091 1.00 0.00 H new ATOM 66 N LEU A 8 1.807 7.891 -5.396 1.00 0.00 N ATOM 67 CA LEU A 8 0.780 7.378 -4.504 1.00 0.00 C ATOM 68 C LEU A 8 0.623 5.873 -4.728 1.00 0.00 C ATOM 69 O LEU A 8 0.554 5.103 -3.772 1.00 0.00 O ATOM 70 CB LEU A 8 -0.521 8.164 -4.677 1.00 0.00 C ATOM 71 CG LEU A 8 -0.753 9.301 -3.680 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.975 10.133 -4.073 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.860 8.766 -2.251 1.00 0.00 C ATOM 0 H LEU A 8 1.591 8.793 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 8 1.074 7.518 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.540 8.580 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.356 7.467 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 8 0.112 9.963 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.118 10.934 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.820 10.562 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.859 9.496 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.025 9.595 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.695 8.069 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.064 8.252 -1.985 1.00 0.00 H new ATOM 85 N ARG A 9 0.570 5.498 -5.999 1.00 0.00 N ATOM 86 CA ARG A 9 0.422 4.099 -6.360 1.00 0.00 C ATOM 87 C ARG A 9 1.496 3.254 -5.670 1.00 0.00 C ATOM 88 O ARG A 9 1.186 2.424 -4.818 1.00 0.00 O ATOM 89 CB ARG A 9 0.528 3.907 -7.874 1.00 0.00 C ATOM 90 CG ARG A 9 -0.681 3.139 -8.415 1.00 0.00 C ATOM 91 CD ARG A 9 -0.511 2.828 -9.904 1.00 0.00 C ATOM 92 NE ARG A 9 -0.994 3.967 -10.717 1.00 0.00 N ATOM 93 CZ ARG A 9 -2.288 4.261 -10.904 1.00 0.00 C ATOM 94 NH1 ARG A 9 -3.236 3.503 -10.335 1.00 0.00 N ATOM 95 NH2 ARG A 9 -2.635 5.313 -11.657 1.00 0.00 N ATOM 0 H ARG A 9 0.627 6.139 -6.790 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.566 3.776 -6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.595 4.879 -8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.444 3.366 -8.112 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.806 2.211 -7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.587 3.726 -8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.538 2.631 -10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.066 1.926 -10.161 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.298 4.565 -11.163 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.972 2.703 -9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.221 3.726 -10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.914 5.891 -12.089 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.620 5.536 -11.799 1.00 0.00 H new ATOM 109 N GLU A 10 2.737 3.498 -6.065 1.00 0.00 N ATOM 110 CA GLU A 10 3.860 2.772 -5.495 1.00 0.00 C ATOM 111 C GLU A 10 3.766 2.764 -3.967 1.00 0.00 C ATOM 112 O GLU A 10 4.014 1.740 -3.332 1.00 0.00 O ATOM 113 CB GLU A 10 5.191 3.365 -5.960 1.00 0.00 C ATOM 114 CG GLU A 10 5.689 2.667 -7.227 1.00 0.00 C ATOM 115 CD GLU A 10 7.214 2.546 -7.223 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.868 3.606 -7.114 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.692 1.395 -7.327 1.00 0.00 O ATOM 0 H GLU A 10 2.990 4.188 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 10 3.818 1.742 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.071 4.431 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.934 3.264 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.242 1.675 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.367 3.227 -8.105 1.00 0.00 H new ATOM 124 N GLN A 11 3.408 3.918 -3.423 1.00 0.00 N ATOM 125 CA GLN A 11 3.279 4.057 -1.982 1.00 0.00 C ATOM 126 C GLN A 11 2.335 2.989 -1.428 1.00 0.00 C ATOM 127 O GLN A 11 2.694 2.252 -0.512 1.00 0.00 O ATOM 128 CB GLN A 11 2.801 5.460 -1.608 1.00 0.00 C ATOM 129 CG GLN A 11 3.824 6.519 -2.024 1.00 0.00 C ATOM 130 CD GLN A 11 3.926 7.627 -0.973 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.754 7.594 -0.078 1.00 0.00 O ATOM 132 NE2 GLN A 11 3.040 8.605 -1.132 1.00 0.00 N ATOM 0 H GLN A 11 3.203 4.765 -3.954 1.00 0.00 H new ATOM 0 HA GLN A 11 4.262 3.912 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.845 5.663 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.632 5.516 -0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.800 6.053 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.538 6.949 -2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.374 8.570 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.026 9.391 -0.482 1.00 0.00 H new ATOM 141 N VAL A 12 1.144 2.939 -2.007 1.00 0.00 N ATOM 142 CA VAL A 12 0.144 1.974 -1.583 1.00 0.00 C ATOM 143 C VAL A 12 0.638 0.562 -1.903 1.00 0.00 C ATOM 144 O VAL A 12 0.386 -0.374 -1.145 1.00 0.00 O ATOM 145 CB VAL A 12 -1.204 2.298 -2.230 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.169 1.118 -2.104 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.809 3.568 -1.631 1.00 0.00 C ATOM 0 H VAL A 12 0.849 3.552 -2.767 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.008 2.029 -0.505 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.032 2.479 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.120 1.374 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.744 0.246 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.332 0.892 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.767 3.775 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.960 3.429 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.132 4.406 -1.796 1.00 0.00 H new ATOM 157 N LYS A 13 1.331 0.452 -3.026 1.00 0.00 N ATOM 158 CA LYS A 13 1.861 -0.831 -3.457 1.00 0.00 C ATOM 159 C LYS A 13 2.700 -1.435 -2.329 1.00 0.00 C ATOM 160 O LYS A 13 2.419 -2.537 -1.862 1.00 0.00 O ATOM 161 CB LYS A 13 2.621 -0.682 -4.776 1.00 0.00 C ATOM 162 CG LYS A 13 1.655 -0.473 -5.944 1.00 0.00 C ATOM 163 CD LYS A 13 2.313 -0.852 -7.273 1.00 0.00 C ATOM 164 CE LYS A 13 3.483 0.080 -7.591 1.00 0.00 C ATOM 165 NZ LYS A 13 4.122 -0.308 -8.869 1.00 0.00 N ATOM 0 H LYS A 13 1.538 1.231 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 13 1.049 -1.529 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.307 0.162 -4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.226 -1.571 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.759 -1.076 -5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.337 0.569 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.666 -1.882 -7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.576 -0.803 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.130 1.109 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.216 0.042 -6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.914 0.335 -9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.477 -1.283 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.424 -0.249 -9.638 1.00 0.00 H new ATOM 179 N GLU A 14 3.714 -0.684 -1.922 1.00 0.00 N ATOM 180 CA GLU A 14 4.597 -1.132 -0.857 1.00 0.00 C ATOM 181 C GLU A 14 3.798 -1.385 0.422 1.00 0.00 C ATOM 182 O GLU A 14 4.132 -2.278 1.200 1.00 0.00 O ATOM 183 CB GLU A 14 5.717 -0.119 -0.612 1.00 0.00 C ATOM 184 CG GLU A 14 6.718 -0.118 -1.771 1.00 0.00 C ATOM 185 CD GLU A 14 8.129 -0.438 -1.276 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.696 0.427 -0.574 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.611 -1.541 -1.612 1.00 0.00 O ATOM 0 H GLU A 14 3.944 0.231 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 14 5.060 -2.069 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.292 0.877 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.232 -0.359 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.416 -0.852 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.712 0.856 -2.260 1.00 0.00 H new ATOM 194 N LEU A 15 2.757 -0.585 0.601 1.00 0.00 N ATOM 195 CA LEU A 15 1.908 -0.712 1.773 1.00 0.00 C ATOM 196 C LEU A 15 1.328 -2.127 1.827 1.00 0.00 C ATOM 197 O LEU A 15 1.673 -2.909 2.711 1.00 0.00 O ATOM 198 CB LEU A 15 0.845 0.388 1.786 1.00 0.00 C ATOM 199 CG LEU A 15 -0.480 0.032 2.463 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.313 -0.068 3.980 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.579 1.023 2.071 1.00 0.00 C ATOM 0 H LEU A 15 2.482 0.154 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 15 2.492 -0.571 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.262 1.263 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.638 0.678 0.756 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.791 -0.951 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.270 -0.322 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.418 -0.842 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.033 0.889 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.511 0.748 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.289 2.028 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.721 1.000 0.991 1.00 0.00 H new ATOM 213 N PHE A 16 0.459 -2.413 0.869 1.00 0.00 N ATOM 214 CA PHE A 16 -0.171 -3.720 0.796 1.00 0.00 C ATOM 215 C PHE A 16 0.874 -4.837 0.849 1.00 0.00 C ATOM 216 O PHE A 16 0.684 -5.838 1.537 1.00 0.00 O ATOM 217 CB PHE A 16 -0.906 -3.789 -0.544 1.00 0.00 C ATOM 218 CG PHE A 16 -2.293 -3.143 -0.528 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.208 -3.524 0.404 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.610 -2.190 -1.444 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.496 -2.925 0.420 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.898 -1.591 -1.428 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.814 -1.971 -0.497 1.00 0.00 C ATOM 0 H PHE A 16 0.176 -1.762 0.137 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.849 -3.853 1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.298 -3.301 -1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.007 -4.834 -0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.955 -4.281 1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.883 -1.888 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.223 -3.227 1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.150 -0.834 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.793 -1.516 -0.486 1.00 0.00 H new ATOM 233 N ASN A 17 1.956 -4.627 0.113 1.00 0.00 N ATOM 234 CA ASN A 17 3.031 -5.603 0.068 1.00 0.00 C ATOM 235 C ASN A 17 3.654 -5.733 1.458 1.00 0.00 C ATOM 236 O ASN A 17 3.952 -6.840 1.907 1.00 0.00 O ATOM 237 CB ASN A 17 4.130 -5.167 -0.904 1.00 0.00 C ATOM 238 CG ASN A 17 3.578 -5.012 -2.323 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.390 -4.836 -2.538 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.504 -5.089 -3.274 1.00 0.00 N ATOM 0 H ASN A 17 2.111 -3.795 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 17 2.611 -6.552 -0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.560 -4.222 -0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.935 -5.902 -0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.237 -4.999 -4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.481 -5.238 -3.023 1.00 0.00 H new ATOM 247 N GLU A 18 3.832 -4.589 2.102 1.00 0.00 N ATOM 248 CA GLU A 18 4.414 -4.562 3.434 1.00 0.00 C ATOM 249 C GLU A 18 3.561 -5.383 4.403 1.00 0.00 C ATOM 250 O GLU A 18 4.080 -6.229 5.129 1.00 0.00 O ATOM 251 CB GLU A 18 4.580 -3.125 3.929 1.00 0.00 C ATOM 252 CG GLU A 18 5.751 -2.434 3.227 1.00 0.00 C ATOM 253 CD GLU A 18 7.002 -2.442 4.110 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.701 -3.478 4.094 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.230 -1.412 4.779 1.00 0.00 O ATOM 0 H GLU A 18 3.584 -3.674 1.727 1.00 0.00 H new ATOM 0 HA GLU A 18 5.406 -5.011 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.662 -2.566 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.746 -3.125 5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.964 -2.939 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.479 -1.407 2.984 1.00 0.00 H new ATOM 262 N LYS A 19 2.266 -5.103 4.383 1.00 0.00 N ATOM 263 CA LYS A 19 1.335 -5.803 5.251 1.00 0.00 C ATOM 264 C LYS A 19 1.499 -7.311 5.056 1.00 0.00 C ATOM 265 O LYS A 19 1.704 -8.048 6.020 1.00 0.00 O ATOM 266 CB LYS A 19 -0.093 -5.304 5.022 1.00 0.00 C ATOM 267 CG LYS A 19 -0.212 -3.814 5.347 1.00 0.00 C ATOM 268 CD LYS A 19 -0.201 -3.582 6.860 1.00 0.00 C ATOM 269 CE LYS A 19 0.152 -2.130 7.188 1.00 0.00 C ATOM 270 NZ LYS A 19 1.486 -2.052 7.826 1.00 0.00 N ATOM 0 H LYS A 19 1.840 -4.400 3.779 1.00 0.00 H new ATOM 0 HA LYS A 19 1.556 -5.590 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.381 -5.478 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.785 -5.872 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.612 -3.270 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.134 -3.417 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.179 -3.826 7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.521 -4.251 7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.143 -1.533 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.601 -1.708 7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.710 -1.060 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.483 -2.606 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.204 -2.436 7.178 1.00 0.00 H new ATOM 284 N TYR A 20 1.404 -7.727 3.801 1.00 0.00 N ATOM 285 CA TYR A 20 1.538 -9.134 3.466 1.00 0.00 C ATOM 286 C TYR A 20 2.745 -9.754 4.175 1.00 0.00 C ATOM 287 O TYR A 20 2.621 -10.786 4.832 1.00 0.00 O ATOM 288 CB TYR A 20 1.767 -9.188 1.955 1.00 0.00 C ATOM 289 CG TYR A 20 1.239 -10.462 1.290 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.055 -10.877 1.524 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.059 -11.194 0.456 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.553 -12.075 0.899 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.563 -12.393 -0.169 1.00 0.00 C ATOM 294 CZ TYR A 20 0.281 -12.774 0.083 1.00 0.00 C ATOM 295 OH TYR A 20 -0.187 -13.906 -0.507 1.00 0.00 O ATOM 0 H TYR A 20 1.236 -7.113 3.004 1.00 0.00 H new ATOM 0 HA TYR A 20 0.651 -9.688 3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.287 -8.324 1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.835 -9.103 1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.696 -10.303 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.072 -10.868 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.565 -12.410 1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.194 -12.977 -0.823 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.164 -13.932 -0.436 1.00 0.00 H new ATOM 305 N GLY A 21 3.884 -9.096 4.018 1.00 0.00 N ATOM 306 CA GLY A 21 5.112 -9.569 4.635 1.00 0.00 C ATOM 307 C GLY A 21 4.912 -9.823 6.130 1.00 0.00 C ATOM 308 O GLY A 21 5.163 -10.925 6.616 1.00 0.00 O ATOM 0 H GLY A 21 3.983 -8.240 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.438 -10.487 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.903 -8.833 4.490 1.00 0.00 H new ATOM 312 N GLU A 22 4.462 -8.784 6.819 1.00 0.00 N ATOM 313 CA GLU A 22 4.225 -8.881 8.249 1.00 0.00 C ATOM 314 C GLU A 22 3.243 -10.015 8.549 1.00 0.00 C ATOM 315 O GLU A 22 3.471 -10.815 9.456 1.00 0.00 O ATOM 316 CB GLU A 22 3.716 -7.553 8.812 1.00 0.00 C ATOM 317 CG GLU A 22 4.595 -6.389 8.348 1.00 0.00 C ATOM 318 CD GLU A 22 3.743 -5.257 7.767 1.00 0.00 C ATOM 319 OE1 GLU A 22 2.595 -5.112 8.238 1.00 0.00 O ATOM 320 OE2 GLU A 22 4.260 -4.563 6.865 1.00 0.00 O ATOM 0 H GLU A 22 4.255 -7.871 6.413 1.00 0.00 H new ATOM 0 HA GLU A 22 5.172 -9.107 8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.688 -7.388 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.707 -7.595 9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.181 -6.014 9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.302 -6.740 7.596 1.00 0.00 H new ATOM 327 N ALA A 23 2.171 -10.048 7.771 1.00 0.00 N ATOM 328 CA ALA A 23 1.154 -11.071 7.942 1.00 0.00 C ATOM 329 C ALA A 23 1.766 -12.446 7.665 1.00 0.00 C ATOM 330 O ALA A 23 1.367 -13.441 8.268 1.00 0.00 O ATOM 331 CB ALA A 23 -0.035 -10.768 7.029 1.00 0.00 C ATOM 0 H ALA A 23 1.985 -9.383 7.021 1.00 0.00 H new ATOM 0 HA ALA A 23 0.785 -11.075 8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.798 -11.536 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.453 -9.795 7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.297 -10.757 5.991 1.00 0.00 H new ATOM 337 N LEU A 24 2.726 -12.457 6.751 1.00 0.00 N ATOM 338 CA LEU A 24 3.397 -13.693 6.387 1.00 0.00 C ATOM 339 C LEU A 24 4.375 -14.083 7.497 1.00 0.00 C ATOM 340 O LEU A 24 4.989 -15.148 7.442 1.00 0.00 O ATOM 341 CB LEU A 24 4.051 -13.561 5.010 1.00 0.00 C ATOM 342 CG LEU A 24 3.134 -13.795 3.807 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.781 -13.285 2.518 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.732 -15.267 3.703 1.00 0.00 C ATOM 0 H LEU A 24 3.055 -11.630 6.252 1.00 0.00 H new ATOM 0 HA LEU A 24 2.676 -14.506 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.479 -12.562 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.879 -14.268 4.954 1.00 0.00 H new ATOM 0 HG LEU A 24 2.219 -13.221 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.109 -13.463 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.975 -12.216 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.720 -13.812 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.081 -15.406 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.625 -15.881 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.203 -15.565 4.609 1.00 0.00 H new ATOM 356 N GLY A 25 4.491 -13.201 8.477 1.00 0.00 N ATOM 357 CA GLY A 25 5.384 -13.439 9.599 1.00 0.00 C ATOM 358 C GLY A 25 6.844 -13.246 9.187 1.00 0.00 C ATOM 359 O GLY A 25 7.752 -13.737 9.855 1.00 0.00 O ATOM 0 H GLY A 25 3.981 -12.319 8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.139 -12.758 10.414 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.239 -14.452 9.975 1.00 0.00 H new ATOM 363 N LEU A 26 7.027 -12.526 8.089 1.00 0.00 N ATOM 364 CA LEU A 26 8.361 -12.261 7.581 1.00 0.00 C ATOM 365 C LEU A 26 8.819 -10.881 8.057 1.00 0.00 C ATOM 366 O LEU A 26 8.115 -10.218 8.817 1.00 0.00 O ATOM 367 CB LEU A 26 8.399 -12.431 6.060 1.00 0.00 C ATOM 368 CG LEU A 26 7.579 -13.591 5.494 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.739 -13.687 3.976 1.00 0.00 C ATOM 370 CD2 LEU A 26 7.935 -14.906 6.191 1.00 0.00 C ATOM 0 H LEU A 26 6.272 -12.118 7.537 1.00 0.00 H new ATOM 0 HA LEU A 26 9.071 -12.987 7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.048 -11.506 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.437 -12.563 5.755 1.00 0.00 H new ATOM 0 HG LEU A 26 6.526 -13.394 5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.145 -14.520 3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.397 -12.760 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.789 -13.849 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.338 -15.714 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.993 -15.121 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.728 -14.820 7.258 1.00 0.00 H new ATOM 382 N ASN A 27 9.995 -10.489 7.591 1.00 0.00 N ATOM 383 CA ASN A 27 10.555 -9.200 7.960 1.00 0.00 C ATOM 384 C ASN A 27 10.819 -8.383 6.694 1.00 0.00 C ATOM 385 O ASN A 27 11.659 -7.485 6.694 1.00 0.00 O ATOM 386 CB ASN A 27 11.885 -9.368 8.699 1.00 0.00 C ATOM 387 CG ASN A 27 11.979 -8.404 9.884 1.00 0.00 C ATOM 388 OD1 ASN A 27 11.008 -7.793 10.299 1.00 0.00 O ATOM 389 ND2 ASN A 27 13.199 -8.302 10.402 1.00 0.00 N ATOM 0 H ASN A 27 10.576 -11.042 6.961 1.00 0.00 H new ATOM 0 HA ASN A 27 9.841 -8.696 8.612 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.982 -10.395 9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.712 -9.188 8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.366 -7.683 11.196 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.968 -8.842 10.006 1.00 0.00 H new ATOM 396 N ARG A 28 10.084 -8.722 5.645 1.00 0.00 N ATOM 397 CA ARG A 28 10.227 -8.030 4.375 1.00 0.00 C ATOM 398 C ARG A 28 8.881 -7.966 3.651 1.00 0.00 C ATOM 399 O ARG A 28 8.012 -8.808 3.873 1.00 0.00 O ATOM 400 CB ARG A 28 11.248 -8.732 3.479 1.00 0.00 C ATOM 401 CG ARG A 28 10.921 -10.219 3.332 1.00 0.00 C ATOM 402 CD ARG A 28 12.100 -10.984 2.728 1.00 0.00 C ATOM 403 NE ARG A 28 12.403 -12.177 3.550 1.00 0.00 N ATOM 404 CZ ARG A 28 13.318 -13.100 3.225 1.00 0.00 C ATOM 405 NH1 ARG A 28 14.023 -12.975 2.094 1.00 0.00 N ATOM 406 NH2 ARG A 28 13.527 -14.149 4.032 1.00 0.00 N ATOM 0 H ARG A 28 9.387 -9.467 5.648 1.00 0.00 H new ATOM 0 HA ARG A 28 10.578 -7.020 4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.260 -8.260 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.247 -8.616 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.672 -10.638 4.307 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.042 -10.341 2.699 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.864 -11.286 1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.975 -10.337 2.675 1.00 0.00 H new ATOM 0 HE ARG A 28 11.883 -12.304 4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.864 -12.177 1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.720 -13.678 1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.989 -14.245 4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.224 -14.852 3.785 1.00 0.00 H new ATOM 420 N PRO A 29 8.748 -6.934 2.776 1.00 0.00 N ATOM 421 CA PRO A 29 7.522 -6.749 2.017 1.00 0.00 C ATOM 422 C PRO A 29 7.421 -7.769 0.882 1.00 0.00 C ATOM 423 O PRO A 29 8.416 -8.070 0.223 1.00 0.00 O ATOM 424 CB PRO A 29 7.578 -5.312 1.523 1.00 0.00 C ATOM 425 CG PRO A 29 9.036 -4.893 1.627 1.00 0.00 C ATOM 426 CD PRO A 29 9.756 -5.918 2.487 1.00 0.00 C ATOM 0 HA PRO A 29 6.627 -6.915 2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.223 -5.238 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.942 -4.666 2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.489 -4.840 0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.117 -3.900 2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.610 -6.346 1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.138 -5.468 3.403 1.00 0.00 H new ATOM 434 N VAL A 30 6.211 -8.273 0.688 1.00 0.00 N ATOM 435 CA VAL A 30 5.967 -9.253 -0.357 1.00 0.00 C ATOM 436 C VAL A 30 4.727 -8.845 -1.154 1.00 0.00 C ATOM 437 O VAL A 30 3.761 -8.337 -0.588 1.00 0.00 O ATOM 438 CB VAL A 30 5.854 -10.651 0.254 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.444 -11.679 -0.803 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.160 -11.059 0.938 1.00 0.00 C ATOM 0 H VAL A 30 5.389 -8.021 1.237 1.00 0.00 H new ATOM 0 HA VAL A 30 6.804 -9.285 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 30 5.074 -10.622 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.371 -12.664 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.477 -11.402 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.191 -11.703 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.052 -12.057 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.968 -11.062 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.392 -10.349 1.732 1.00 0.00 H new ATOM 450 N LEU A 31 4.794 -9.082 -2.456 1.00 0.00 N ATOM 451 CA LEU A 31 3.688 -8.746 -3.336 1.00 0.00 C ATOM 452 C LEU A 31 2.453 -9.551 -2.927 1.00 0.00 C ATOM 453 O LEU A 31 2.572 -10.685 -2.466 1.00 0.00 O ATOM 454 CB LEU A 31 4.091 -8.937 -4.800 1.00 0.00 C ATOM 455 CG LEU A 31 4.763 -7.740 -5.473 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.566 -8.180 -6.699 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.738 -6.658 -5.817 1.00 0.00 C ATOM 0 H LEU A 31 5.597 -9.503 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 31 3.428 -7.692 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.767 -9.790 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.199 -9.196 -5.371 1.00 0.00 H new ATOM 0 HG LEU A 31 5.468 -7.302 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.034 -7.310 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.337 -8.888 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.900 -8.657 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.242 -5.818 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.991 -7.067 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.249 -6.317 -4.905 1.00 0.00 H new ATOM 469 N VAL A 32 1.296 -8.932 -3.110 1.00 0.00 N ATOM 470 CA VAL A 32 0.041 -9.577 -2.765 1.00 0.00 C ATOM 471 C VAL A 32 -0.549 -10.235 -4.014 1.00 0.00 C ATOM 472 O VAL A 32 -0.839 -9.558 -4.999 1.00 0.00 O ATOM 473 CB VAL A 32 -0.907 -8.566 -2.118 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.296 -9.173 -1.907 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.333 -8.041 -0.800 1.00 0.00 C ATOM 0 H VAL A 32 1.201 -7.991 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 32 0.206 -10.364 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.010 -7.721 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.950 -8.433 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.711 -9.475 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.217 -10.044 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.027 -7.324 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.186 -8.872 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.623 -7.552 -0.988 1.00 0.00 H new ATOM 485 N PRO A 33 -0.714 -11.582 -3.931 1.00 0.00 N ATOM 486 CA PRO A 33 -1.265 -12.339 -5.043 1.00 0.00 C ATOM 487 C PRO A 33 -2.775 -12.127 -5.156 1.00 0.00 C ATOM 488 O PRO A 33 -3.549 -13.075 -5.039 1.00 0.00 O ATOM 489 CB PRO A 33 -0.887 -13.784 -4.761 1.00 0.00 C ATOM 490 CG PRO A 33 -0.549 -13.844 -3.280 1.00 0.00 C ATOM 491 CD PRO A 33 -0.382 -12.418 -2.781 1.00 0.00 C ATOM 0 HA PRO A 33 -0.869 -12.019 -6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.710 -14.457 -5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.036 -14.091 -5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.341 -14.351 -2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.366 -14.414 -3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.043 -12.213 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.637 -12.235 -2.439 1.00 0.00 H new ATOM 499 N TYR A 34 -3.150 -10.876 -5.383 1.00 0.00 N ATOM 500 CA TYR A 34 -4.554 -10.527 -5.515 1.00 0.00 C ATOM 501 C TYR A 34 -5.277 -11.503 -6.446 1.00 0.00 C ATOM 502 O TYR A 34 -6.404 -11.910 -6.170 1.00 0.00 O ATOM 503 CB TYR A 34 -4.586 -9.130 -6.135 1.00 0.00 C ATOM 504 CG TYR A 34 -3.838 -8.071 -5.322 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.426 -7.519 -4.201 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.577 -7.667 -5.709 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.722 -6.523 -3.435 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.873 -6.669 -4.943 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.480 -6.147 -3.845 1.00 0.00 C ATOM 510 OH TYR A 34 -1.816 -5.207 -3.122 1.00 0.00 O ATOM 0 H TYR A 34 -2.505 -10.092 -5.479 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.051 -10.565 -4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.155 -9.177 -7.135 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.624 -8.819 -6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.414 -7.834 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.117 -8.098 -6.586 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.170 -6.085 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.886 -6.344 -5.235 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.440 -4.765 -2.509 1.00 0.00 H new ATOM 520 N LYS A 35 -4.598 -11.848 -7.530 1.00 0.00 N ATOM 521 CA LYS A 35 -5.162 -12.767 -8.504 1.00 0.00 C ATOM 522 C LYS A 35 -5.673 -14.017 -7.783 1.00 0.00 C ATOM 523 O LYS A 35 -6.677 -14.603 -8.186 1.00 0.00 O ATOM 524 CB LYS A 35 -4.146 -13.066 -9.608 1.00 0.00 C ATOM 525 CG LYS A 35 -4.795 -12.967 -10.991 1.00 0.00 C ATOM 526 CD LYS A 35 -3.832 -13.438 -12.083 1.00 0.00 C ATOM 527 CE LYS A 35 -4.169 -12.790 -13.428 1.00 0.00 C ATOM 528 NZ LYS A 35 -3.521 -13.527 -14.535 1.00 0.00 N ATOM 0 H LYS A 35 -3.663 -11.508 -7.755 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.018 -12.315 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.314 -12.365 -9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.733 -14.065 -9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.702 -13.571 -11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.093 -11.937 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.808 -13.190 -11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.883 -14.523 -12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.249 -12.780 -13.573 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.837 -11.752 -13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.760 -13.074 -15.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.489 -13.515 -14.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.857 -14.511 -14.541 1.00 0.00 H new ATOM 542 N LEU A 36 -4.958 -14.388 -6.732 1.00 0.00 N ATOM 543 CA LEU A 36 -5.326 -15.557 -5.951 1.00 0.00 C ATOM 544 C LEU A 36 -6.422 -15.175 -4.953 1.00 0.00 C ATOM 545 O LEU A 36 -7.544 -15.670 -5.040 1.00 0.00 O ATOM 546 CB LEU A 36 -4.089 -16.178 -5.298 1.00 0.00 C ATOM 547 CG LEU A 36 -3.101 -16.860 -6.247 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.807 -17.228 -5.520 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.742 -18.073 -6.925 1.00 0.00 C ATOM 0 H LEU A 36 -4.125 -13.900 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.739 -16.331 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.559 -15.397 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.420 -16.911 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.838 -16.152 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.123 -17.711 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.343 -16.325 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.032 -17.911 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.019 -18.540 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.052 -18.792 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.612 -17.752 -7.498 1.00 0.00 H new ATOM 561 N ILE A 37 -6.056 -14.298 -4.030 1.00 0.00 N ATOM 562 CA ILE A 37 -6.994 -13.844 -3.016 1.00 0.00 C ATOM 563 C ILE A 37 -8.342 -13.544 -3.674 1.00 0.00 C ATOM 564 O ILE A 37 -9.389 -13.695 -3.047 1.00 0.00 O ATOM 565 CB ILE A 37 -6.411 -12.662 -2.239 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.167 -13.083 -1.454 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.470 -12.024 -1.337 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.100 -11.986 -1.489 1.00 0.00 C ATOM 0 H ILE A 37 -5.124 -13.890 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.167 -14.627 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.098 -11.902 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.440 -13.297 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.762 -14.003 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.030 -11.186 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.300 -11.666 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.835 -12.764 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.226 -12.310 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.812 -11.791 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.501 -11.074 -1.046 1.00 0.00 H new ATOM 580 N ARG A 38 -8.272 -13.122 -4.928 1.00 0.00 N ATOM 581 CA ARG A 38 -9.473 -12.798 -5.678 1.00 0.00 C ATOM 582 C ARG A 38 -10.347 -14.044 -5.843 1.00 0.00 C ATOM 583 O ARG A 38 -11.536 -14.019 -5.526 1.00 0.00 O ATOM 584 CB ARG A 38 -9.129 -12.240 -7.059 1.00 0.00 C ATOM 585 CG ARG A 38 -10.391 -11.813 -7.810 1.00 0.00 C ATOM 586 CD ARG A 38 -10.618 -10.305 -7.689 1.00 0.00 C ATOM 587 NE ARG A 38 -10.756 -9.704 -9.035 1.00 0.00 N ATOM 588 CZ ARG A 38 -9.722 -9.338 -9.804 1.00 0.00 C ATOM 589 NH1 ARG A 38 -8.468 -9.506 -9.366 1.00 0.00 N ATOM 590 NH2 ARG A 38 -9.943 -8.801 -11.012 1.00 0.00 N ATOM 0 H ARG A 38 -7.401 -12.997 -5.444 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.017 -12.038 -5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.459 -11.387 -6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.596 -12.995 -7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.303 -12.088 -8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.254 -12.347 -7.412 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.515 -10.110 -7.101 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.784 -9.845 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.698 -9.560 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.299 -9.913 -8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.681 -9.227 -9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.898 -8.671 -11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.156 -8.522 -11.598 1.00 0.00 H new ATOM 604 N ASP A 39 -9.725 -15.103 -6.338 1.00 0.00 N ATOM 605 CA ASP A 39 -10.431 -16.355 -6.550 1.00 0.00 C ATOM 606 C ASP A 39 -10.608 -17.068 -5.207 1.00 0.00 C ATOM 607 O ASP A 39 -11.605 -17.755 -4.993 1.00 0.00 O ATOM 608 CB ASP A 39 -9.642 -17.283 -7.476 1.00 0.00 C ATOM 609 CG ASP A 39 -10.493 -18.261 -8.289 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.697 -18.367 -7.969 1.00 0.00 O ATOM 611 OD2 ASP A 39 -9.921 -18.881 -9.210 1.00 0.00 O ATOM 0 H ASP A 39 -8.739 -15.120 -6.599 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.395 -16.126 -7.005 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.058 -16.673 -8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.933 -17.854 -6.876 1.00 0.00 H new ATOM 616 N SER A 40 -9.625 -16.880 -4.339 1.00 0.00 N ATOM 617 CA SER A 40 -9.660 -17.496 -3.024 1.00 0.00 C ATOM 618 C SER A 40 -9.820 -16.422 -1.946 1.00 0.00 C ATOM 619 O SER A 40 -8.838 -15.818 -1.516 1.00 0.00 O ATOM 620 CB SER A 40 -8.397 -18.321 -2.769 1.00 0.00 C ATOM 621 OG SER A 40 -8.342 -18.814 -1.432 1.00 0.00 O ATOM 0 H SER A 40 -8.799 -16.310 -4.521 1.00 0.00 H new ATOM 0 HA SER A 40 -10.516 -18.170 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.364 -19.158 -3.466 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.518 -17.708 -2.966 1.00 0.00 H new ATOM 0 HG SER A 40 -7.547 -19.376 -1.323 1.00 0.00 H new ATOM 627 N PRO A 41 -11.097 -16.210 -1.531 1.00 0.00 N ATOM 628 CA PRO A 41 -11.398 -15.218 -0.511 1.00 0.00 C ATOM 629 C PRO A 41 -10.992 -15.719 0.876 1.00 0.00 C ATOM 630 O PRO A 41 -10.941 -14.943 1.829 1.00 0.00 O ATOM 631 CB PRO A 41 -12.891 -14.964 -0.638 1.00 0.00 C ATOM 632 CG PRO A 41 -13.452 -16.152 -1.403 1.00 0.00 C ATOM 633 CD PRO A 41 -12.285 -16.905 -2.018 1.00 0.00 C ATOM 0 HA PRO A 41 -10.838 -14.293 -0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.357 -14.876 0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.085 -14.031 -1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.017 -16.803 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.140 -15.816 -2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.284 -17.952 -1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.334 -16.890 -3.107 1.00 0.00 H new ATOM 641 N ASP A 42 -10.717 -17.012 0.947 1.00 0.00 N ATOM 642 CA ASP A 42 -10.318 -17.626 2.203 1.00 0.00 C ATOM 643 C ASP A 42 -8.823 -17.948 2.155 1.00 0.00 C ATOM 644 O ASP A 42 -8.413 -19.058 2.490 1.00 0.00 O ATOM 645 CB ASP A 42 -11.075 -18.934 2.441 1.00 0.00 C ATOM 646 CG ASP A 42 -12.502 -18.766 2.970 1.00 0.00 C ATOM 647 OD1 ASP A 42 -12.740 -17.744 3.648 1.00 0.00 O ATOM 648 OD2 ASP A 42 -13.321 -19.667 2.685 1.00 0.00 O ATOM 0 H ASP A 42 -10.762 -17.653 0.155 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.544 -16.926 3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.113 -19.490 1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.510 -19.540 3.149 1.00 0.00 H new ATOM 653 N ALA A 43 -8.049 -16.956 1.738 1.00 0.00 N ATOM 654 CA ALA A 43 -6.609 -17.120 1.642 1.00 0.00 C ATOM 655 C ALA A 43 -5.924 -16.115 2.570 1.00 0.00 C ATOM 656 O ALA A 43 -5.108 -16.495 3.409 1.00 0.00 O ATOM 657 CB ALA A 43 -6.171 -16.961 0.185 1.00 0.00 C ATOM 0 H ALA A 43 -8.393 -16.036 1.463 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.315 -18.120 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.090 -17.084 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.663 -17.717 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.447 -15.969 -0.172 1.00 0.00 H new ATOM 663 N VAL A 44 -6.280 -14.852 2.388 1.00 0.00 N ATOM 664 CA VAL A 44 -5.709 -13.789 3.198 1.00 0.00 C ATOM 665 C VAL A 44 -6.810 -12.795 3.576 1.00 0.00 C ATOM 666 O VAL A 44 -7.671 -12.477 2.758 1.00 0.00 O ATOM 667 CB VAL A 44 -4.542 -13.134 2.457 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.119 -11.832 3.139 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.360 -14.099 2.335 1.00 0.00 C ATOM 0 H VAL A 44 -6.957 -14.541 1.691 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.302 -14.193 4.125 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.880 -12.889 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.288 -11.388 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.959 -11.137 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.808 -12.042 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.544 -13.609 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.023 -14.390 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.670 -14.986 1.783 1.00 0.00 H new ATOM 679 N GLU A 45 -6.744 -12.332 4.815 1.00 0.00 N ATOM 680 CA GLU A 45 -7.723 -11.381 5.312 1.00 0.00 C ATOM 681 C GLU A 45 -7.152 -9.962 5.276 1.00 0.00 C ATOM 682 O GLU A 45 -6.053 -9.719 5.774 1.00 0.00 O ATOM 683 CB GLU A 45 -8.182 -11.751 6.724 1.00 0.00 C ATOM 684 CG GLU A 45 -8.730 -10.528 7.462 1.00 0.00 C ATOM 685 CD GLU A 45 -9.545 -10.947 8.687 1.00 0.00 C ATOM 686 OE1 GLU A 45 -10.572 -11.629 8.480 1.00 0.00 O ATOM 687 OE2 GLU A 45 -9.123 -10.576 9.803 1.00 0.00 O ATOM 0 H GLU A 45 -6.027 -12.598 5.490 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.596 -11.417 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.951 -12.522 6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.347 -12.173 7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.905 -9.886 7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.355 -9.942 6.788 1.00 0.00 H new ATOM 694 N VAL A 46 -7.922 -9.062 4.682 1.00 0.00 N ATOM 695 CA VAL A 46 -7.505 -7.674 4.576 1.00 0.00 C ATOM 696 C VAL A 46 -8.490 -6.791 5.345 1.00 0.00 C ATOM 697 O VAL A 46 -9.697 -6.858 5.120 1.00 0.00 O ATOM 698 CB VAL A 46 -7.372 -7.279 3.103 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.204 -5.766 2.954 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.215 -8.027 2.439 1.00 0.00 C ATOM 0 H VAL A 46 -8.832 -9.267 4.269 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.522 -7.534 5.026 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.293 -7.565 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.112 -5.512 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.073 -5.260 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.307 -5.446 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.142 -7.729 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.284 -7.785 2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.394 -9.101 2.499 1.00 0.00 H new ATOM 710 N THR A 47 -7.936 -5.981 6.236 1.00 0.00 N ATOM 711 CA THR A 47 -8.751 -5.085 7.040 1.00 0.00 C ATOM 712 C THR A 47 -8.001 -3.777 7.305 1.00 0.00 C ATOM 713 O THR A 47 -6.832 -3.645 6.947 1.00 0.00 O ATOM 714 CB THR A 47 -9.150 -5.826 8.317 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.979 -6.554 8.676 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.199 -6.910 8.062 1.00 0.00 C ATOM 0 H THR A 47 -6.934 -5.926 6.419 1.00 0.00 H new ATOM 0 HA THR A 47 -9.663 -4.800 6.515 1.00 0.00 H new ATOM 0 HB THR A 47 -9.536 -5.112 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.149 -7.063 9.496 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.447 -7.405 9.001 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.097 -6.456 7.643 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.802 -7.643 7.360 1.00 0.00 H new ATOM 724 N GLY A 48 -8.707 -2.846 7.930 1.00 0.00 N ATOM 725 CA GLY A 48 -8.123 -1.553 8.246 1.00 0.00 C ATOM 726 C GLY A 48 -8.368 -0.549 7.118 1.00 0.00 C ATOM 727 O GLY A 48 -8.439 0.655 7.359 1.00 0.00 O ATOM 0 H GLY A 48 -9.676 -2.961 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.551 -1.174 9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.051 -1.665 8.411 1.00 0.00 H new ATOM 731 N LEU A 49 -8.491 -1.081 5.912 1.00 0.00 N ATOM 732 CA LEU A 49 -8.727 -0.247 4.746 1.00 0.00 C ATOM 733 C LEU A 49 -9.771 0.818 5.089 1.00 0.00 C ATOM 734 O LEU A 49 -10.483 0.696 6.085 1.00 0.00 O ATOM 735 CB LEU A 49 -9.102 -1.108 3.537 1.00 0.00 C ATOM 736 CG LEU A 49 -7.933 -1.650 2.711 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.429 -2.594 1.615 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.087 -0.507 2.145 1.00 0.00 C ATOM 0 H LEU A 49 -8.432 -2.080 5.716 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.815 0.278 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.696 -1.952 3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.742 -0.519 2.881 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.288 -2.232 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.579 -2.965 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.955 -3.434 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.107 -2.057 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.263 -0.918 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.706 0.121 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.689 0.091 2.965 1.00 0.00 H new ATOM 750 N PRO A 50 -9.831 1.864 4.223 1.00 0.00 N ATOM 751 CA PRO A 50 -10.775 2.950 4.424 1.00 0.00 C ATOM 752 C PRO A 50 -12.196 2.517 4.053 1.00 0.00 C ATOM 753 O PRO A 50 -12.387 1.732 3.127 1.00 0.00 O ATOM 754 CB PRO A 50 -10.257 4.088 3.560 1.00 0.00 C ATOM 755 CG PRO A 50 -9.312 3.451 2.554 1.00 0.00 C ATOM 756 CD PRO A 50 -9.004 2.041 3.032 1.00 0.00 C ATOM 0 HA PRO A 50 -10.844 3.259 5.467 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.077 4.600 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.740 4.833 4.164 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.768 3.428 1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.395 4.034 2.469 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.247 1.302 2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.945 1.924 3.264 1.00 0.00 H new ATOM 764 N ASP A 51 -13.155 3.049 4.797 1.00 0.00 N ATOM 765 CA ASP A 51 -14.552 2.727 4.557 1.00 0.00 C ATOM 766 C ASP A 51 -14.933 3.154 3.138 1.00 0.00 C ATOM 767 O ASP A 51 -14.416 4.144 2.624 1.00 0.00 O ATOM 768 CB ASP A 51 -15.463 3.472 5.535 1.00 0.00 C ATOM 769 CG ASP A 51 -14.993 3.464 6.991 1.00 0.00 C ATOM 770 OD1 ASP A 51 -14.178 2.575 7.320 1.00 0.00 O ATOM 771 OD2 ASP A 51 -15.459 4.349 7.743 1.00 0.00 O ATOM 0 H ASP A 51 -12.993 3.700 5.565 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.679 1.653 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.556 4.507 5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -16.459 3.031 5.488 1.00 0.00 H new ATOM 776 N ASP A 52 -15.834 2.384 2.546 1.00 0.00 N ATOM 777 CA ASP A 52 -16.291 2.669 1.196 1.00 0.00 C ATOM 778 C ASP A 52 -15.163 2.371 0.207 1.00 0.00 C ATOM 779 O ASP A 52 -15.073 3.000 -0.846 1.00 0.00 O ATOM 780 CB ASP A 52 -16.675 4.143 1.045 1.00 0.00 C ATOM 781 CG ASP A 52 -17.878 4.407 0.137 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.725 3.493 0.037 1.00 0.00 O ATOM 783 OD2 ASP A 52 -17.925 5.517 -0.435 1.00 0.00 O ATOM 0 H ASP A 52 -16.260 1.563 2.976 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.163 2.046 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.888 4.551 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.816 4.689 0.653 1.00 0.00 H new ATOM 788 N ILE A 53 -14.330 1.410 0.581 1.00 0.00 N ATOM 789 CA ILE A 53 -13.211 1.020 -0.260 1.00 0.00 C ATOM 790 C ILE A 53 -12.889 -0.456 -0.020 1.00 0.00 C ATOM 791 O ILE A 53 -12.536 -0.844 1.093 1.00 0.00 O ATOM 792 CB ILE A 53 -12.022 1.955 -0.035 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.371 3.393 -0.426 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.780 1.447 -0.772 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.156 4.310 -0.285 1.00 0.00 C ATOM 0 H ILE A 53 -14.408 0.890 1.455 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.471 1.122 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.788 1.959 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.731 3.417 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.182 3.758 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.948 2.129 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.519 0.455 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.987 1.395 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.432 5.326 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.813 4.303 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.356 3.956 -0.935 1.00 0.00 H new ATOM 807 N PRO A 54 -13.024 -1.259 -1.109 1.00 0.00 N ATOM 808 CA PRO A 54 -12.751 -2.684 -1.026 1.00 0.00 C ATOM 809 C PRO A 54 -11.245 -2.950 -0.974 1.00 0.00 C ATOM 810 O PRO A 54 -10.460 -2.049 -0.683 1.00 0.00 O ATOM 811 CB PRO A 54 -13.418 -3.283 -2.254 1.00 0.00 C ATOM 812 CG PRO A 54 -13.639 -2.127 -3.215 1.00 0.00 C ATOM 813 CD PRO A 54 -13.440 -0.833 -2.441 1.00 0.00 C ATOM 0 HA PRO A 54 -13.143 -3.136 -0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.789 -4.050 -2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.363 -3.759 -1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.939 -2.185 -4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.643 -2.169 -3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.684 -0.203 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.360 -0.250 -2.401 1.00 0.00 H new ATOM 821 N PHE A 55 -10.886 -4.193 -1.261 1.00 0.00 N ATOM 822 CA PHE A 55 -9.488 -4.590 -1.250 1.00 0.00 C ATOM 823 C PHE A 55 -9.106 -5.284 -2.560 1.00 0.00 C ATOM 824 O PHE A 55 -9.355 -6.476 -2.731 1.00 0.00 O ATOM 825 CB PHE A 55 -9.313 -5.577 -0.094 1.00 0.00 C ATOM 826 CG PHE A 55 -8.106 -6.506 -0.246 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.861 -5.982 -0.399 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.280 -7.854 -0.230 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.740 -6.844 -0.541 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.159 -8.716 -0.372 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.913 -8.192 -0.524 1.00 0.00 C ATOM 0 H PHE A 55 -11.539 -4.938 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.852 -3.712 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.213 -5.017 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.215 -6.182 -0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.724 -4.911 -0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.269 -8.270 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.751 -6.428 -0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.296 -9.787 -0.359 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.061 -8.847 -0.631 1.00 0.00 H new ATOM 841 N ARG A 56 -8.506 -4.507 -3.450 1.00 0.00 N ATOM 842 CA ARG A 56 -8.085 -5.030 -4.738 1.00 0.00 C ATOM 843 C ARG A 56 -6.756 -4.402 -5.160 1.00 0.00 C ATOM 844 O ARG A 56 -6.207 -3.565 -4.444 1.00 0.00 O ATOM 845 CB ARG A 56 -9.137 -4.755 -5.814 1.00 0.00 C ATOM 846 CG ARG A 56 -10.542 -5.081 -5.306 1.00 0.00 C ATOM 847 CD ARG A 56 -10.794 -6.590 -5.324 1.00 0.00 C ATOM 848 NE ARG A 56 -12.039 -6.886 -6.069 1.00 0.00 N ATOM 849 CZ ARG A 56 -12.742 -8.020 -5.937 1.00 0.00 C ATOM 850 NH1 ARG A 56 -12.326 -8.970 -5.089 1.00 0.00 N ATOM 851 NH2 ARG A 56 -13.858 -8.202 -6.654 1.00 0.00 N ATOM 0 H ARG A 56 -8.301 -3.518 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.962 -6.108 -4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.089 -3.708 -6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.920 -5.351 -6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.664 -4.700 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.283 -4.577 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.952 -7.102 -5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.872 -6.966 -4.304 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.383 -6.183 -6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.475 -8.830 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.860 -9.833 -4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.173 -7.478 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.393 -9.064 -6.554 1.00 0.00 H new ATOM 865 N ASN A 57 -6.277 -4.827 -6.319 1.00 0.00 N ATOM 866 CA ASN A 57 -5.023 -4.316 -6.844 1.00 0.00 C ATOM 867 C ASN A 57 -4.934 -2.814 -6.569 1.00 0.00 C ATOM 868 O ASN A 57 -5.862 -2.066 -6.874 1.00 0.00 O ATOM 869 CB ASN A 57 -4.934 -4.524 -8.357 1.00 0.00 C ATOM 870 CG ASN A 57 -3.476 -4.594 -8.816 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.972 -3.725 -9.508 1.00 0.00 O ATOM 872 ND2 ASN A 57 -2.828 -5.676 -8.393 1.00 0.00 N ATOM 0 H ASN A 57 -6.735 -5.520 -6.910 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.210 -4.854 -6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.450 -5.444 -8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.442 -3.708 -8.870 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.850 -5.816 -8.646 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.309 -6.366 -7.816 1.00 0.00 H new ATOM 879 N PRO A 58 -3.780 -2.405 -5.977 1.00 0.00 N ATOM 880 CA PRO A 58 -3.557 -1.005 -5.656 1.00 0.00 C ATOM 881 C PRO A 58 -3.240 -0.198 -6.916 1.00 0.00 C ATOM 882 O PRO A 58 -3.230 1.032 -6.883 1.00 0.00 O ATOM 883 CB PRO A 58 -2.419 -1.009 -4.648 1.00 0.00 C ATOM 884 CG PRO A 58 -1.739 -2.360 -4.794 1.00 0.00 C ATOM 885 CD PRO A 58 -2.659 -3.261 -5.601 1.00 0.00 C ATOM 0 HA PRO A 58 -4.440 -0.523 -5.236 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.720 -0.196 -4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.794 -0.868 -3.634 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.777 -2.251 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.541 -2.796 -3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.152 -3.659 -6.480 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.993 -4.115 -5.012 1.00 0.00 H new ATOM 893 N ASN A 59 -2.985 -0.922 -7.996 1.00 0.00 N ATOM 894 CA ASN A 59 -2.667 -0.288 -9.265 1.00 0.00 C ATOM 895 C ASN A 59 -3.956 -0.077 -10.061 1.00 0.00 C ATOM 896 O ASN A 59 -4.162 -0.715 -11.094 1.00 0.00 O ATOM 897 CB ASN A 59 -1.732 -1.165 -10.099 1.00 0.00 C ATOM 898 CG ASN A 59 -0.837 -0.311 -10.999 1.00 0.00 C ATOM 899 OD1 ASN A 59 0.202 0.184 -10.594 1.00 0.00 O ATOM 900 ND2 ASN A 59 -1.296 -0.167 -12.238 1.00 0.00 N ATOM 0 H ASN A 59 -2.992 -1.942 -8.019 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.176 0.662 -9.055 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.115 -1.775 -9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.319 -1.851 -10.710 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.770 0.385 -12.916 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.174 -0.609 -12.511 1.00 0.00 H new ATOM 907 N THR A 60 -4.789 0.818 -9.552 1.00 0.00 N ATOM 908 CA THR A 60 -6.052 1.121 -10.205 1.00 0.00 C ATOM 909 C THR A 60 -6.818 2.184 -9.415 1.00 0.00 C ATOM 910 O THR A 60 -7.484 3.037 -10.000 1.00 0.00 O ATOM 911 CB THR A 60 -6.824 -0.189 -10.369 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.180 0.224 -10.522 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.833 -1.028 -9.090 1.00 0.00 C ATOM 0 H THR A 60 -4.615 1.343 -8.695 1.00 0.00 H new ATOM 0 HA THR A 60 -5.894 1.548 -11.195 1.00 0.00 H new ATOM 0 HB THR A 60 -6.385 -0.769 -11.181 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.751 -0.564 -10.636 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.394 -1.947 -9.261 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.809 -1.275 -8.810 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.302 -0.461 -8.286 1.00 0.00 H new ATOM 921 N TYR A 61 -6.699 2.097 -8.098 1.00 0.00 N ATOM 922 CA TYR A 61 -7.372 3.041 -7.223 1.00 0.00 C ATOM 923 C TYR A 61 -7.193 4.477 -7.722 1.00 0.00 C ATOM 924 O TYR A 61 -6.337 4.742 -8.564 1.00 0.00 O ATOM 925 CB TYR A 61 -6.701 2.901 -5.856 1.00 0.00 C ATOM 926 CG TYR A 61 -7.082 1.624 -5.104 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.409 1.267 -4.978 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.099 0.831 -4.548 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.768 0.065 -4.270 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.457 -0.370 -3.840 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.774 -0.695 -3.736 1.00 0.00 C ATOM 932 OH TYR A 61 -8.113 -1.829 -3.068 1.00 0.00 O ATOM 0 H TYR A 61 -6.147 1.387 -7.616 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.442 2.835 -7.187 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.619 2.923 -5.990 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.964 3.763 -5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.179 1.889 -5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.061 1.112 -4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.803 -0.226 -4.165 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.697 -0.999 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.071 -1.814 -2.863 1.00 0.00 H new ATOM 942 N ASP A 62 -8.014 5.365 -7.180 1.00 0.00 N ATOM 943 CA ASP A 62 -7.955 6.766 -7.559 1.00 0.00 C ATOM 944 C ASP A 62 -7.202 7.550 -6.484 1.00 0.00 C ATOM 945 O ASP A 62 -7.108 7.109 -5.339 1.00 0.00 O ATOM 946 CB ASP A 62 -9.359 7.361 -7.683 1.00 0.00 C ATOM 947 CG ASP A 62 -10.328 6.558 -8.552 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.267 5.313 -8.468 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.109 7.208 -9.281 1.00 0.00 O ATOM 0 H ASP A 62 -8.723 5.141 -6.482 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.447 6.834 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.785 7.458 -6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.276 8.367 -8.093 1.00 0.00 H new ATOM 954 N ILE A 63 -6.684 8.701 -6.889 1.00 0.00 N ATOM 955 CA ILE A 63 -5.941 9.550 -5.973 1.00 0.00 C ATOM 956 C ILE A 63 -6.640 9.559 -4.611 1.00 0.00 C ATOM 957 O ILE A 63 -5.986 9.669 -3.576 1.00 0.00 O ATOM 958 CB ILE A 63 -5.749 10.945 -6.573 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.381 11.518 -6.200 1.00 0.00 C ATOM 960 CG2 ILE A 63 -6.891 11.878 -6.169 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.404 13.048 -6.218 1.00 0.00 C ATOM 0 H ILE A 63 -6.764 9.065 -7.838 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.938 9.153 -5.815 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.776 10.856 -7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.094 11.167 -5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.627 11.154 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.730 12.862 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.837 11.471 -6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.922 11.966 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.419 13.430 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.668 13.396 -7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.141 13.409 -5.501 1.00 0.00 H new ATOM 973 N HIS A 64 -7.959 9.440 -4.658 1.00 0.00 N ATOM 974 CA HIS A 64 -8.753 9.432 -3.440 1.00 0.00 C ATOM 975 C HIS A 64 -8.450 8.165 -2.639 1.00 0.00 C ATOM 976 O HIS A 64 -7.794 8.225 -1.600 1.00 0.00 O ATOM 977 CB HIS A 64 -10.240 9.590 -3.762 1.00 0.00 C ATOM 978 CG HIS A 64 -10.627 10.976 -4.220 1.00 0.00 C ATOM 979 ND1 HIS A 64 -11.886 11.281 -4.704 1.00 0.00 N ATOM 980 CD2 HIS A 64 -9.906 12.133 -4.262 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.912 12.568 -5.021 1.00 0.00 C ATOM 982 NE2 HIS A 64 -10.683 13.094 -4.746 1.00 0.00 N ATOM 0 H HIS A 64 -8.498 9.348 -5.519 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.483 10.285 -2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.511 8.874 -4.538 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.822 9.336 -2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.877 12.248 -3.954 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.757 13.106 -5.426 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.407 14.066 -4.889 1.00 0.00 H new ATOM 990 N ARG A 65 -8.944 7.047 -3.152 1.00 0.00 N ATOM 991 CA ARG A 65 -8.734 5.767 -2.496 1.00 0.00 C ATOM 992 C ARG A 65 -7.267 5.613 -2.089 1.00 0.00 C ATOM 993 O ARG A 65 -6.970 5.194 -0.971 1.00 0.00 O ATOM 994 CB ARG A 65 -9.125 4.607 -3.414 1.00 0.00 C ATOM 995 CG ARG A 65 -10.593 4.712 -3.833 1.00 0.00 C ATOM 996 CD ARG A 65 -11.204 3.325 -4.043 1.00 0.00 C ATOM 997 NE ARG A 65 -11.849 3.251 -5.373 1.00 0.00 N ATOM 998 CZ ARG A 65 -12.812 2.377 -5.692 1.00 0.00 C ATOM 999 NH1 ARG A 65 -13.249 1.497 -4.781 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -13.341 2.382 -6.925 1.00 0.00 N ATOM 0 H ARG A 65 -9.488 7.001 -4.013 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.366 5.742 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.489 4.609 -4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.956 3.660 -2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.155 5.249 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.672 5.291 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.430 2.562 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.937 3.120 -3.263 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.541 3.906 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.848 1.492 -3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.983 0.832 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.010 3.052 -7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.075 1.716 -7.168 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.388 5.960 -3.018 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.960 5.866 -2.770 1.00 0.00 C ATOM 1016 C LEU A 66 -4.612 6.658 -1.507 1.00 0.00 C ATOM 1017 O LEU A 66 -3.810 6.209 -0.690 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.172 6.302 -4.006 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.163 5.317 -5.178 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.616 5.978 -6.444 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.393 4.045 -4.818 1.00 0.00 C ATOM 0 H LEU A 66 -6.638 6.307 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.673 4.831 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.580 7.250 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.141 6.490 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.192 5.023 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.620 5.257 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.241 6.831 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.596 6.318 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.402 3.362 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.363 4.301 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.865 3.564 -3.961 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.233 7.822 -1.389 1.00 0.00 N ATOM 1034 CA GLU A 67 -5.000 8.681 -0.240 1.00 0.00 C ATOM 1035 C GLU A 67 -5.597 8.054 1.022 1.00 0.00 C ATOM 1036 O GLU A 67 -4.938 7.987 2.058 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.568 10.081 -0.478 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.630 10.911 -1.357 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.937 12.005 -0.540 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.575 13.063 -0.353 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.787 11.757 -0.120 1.00 0.00 O ATOM 0 H GLU A 67 -5.897 8.191 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.924 8.781 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.546 10.005 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.717 10.584 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.881 10.261 -1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.195 11.364 -2.172 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.839 7.611 0.892 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.533 6.992 2.009 1.00 0.00 C ATOM 1050 C LYS A 68 -6.723 5.792 2.506 1.00 0.00 C ATOM 1051 O LYS A 68 -6.474 5.660 3.703 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.971 6.644 1.620 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.678 7.850 0.998 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.985 8.157 1.732 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.726 9.320 1.068 1.00 0.00 C ATOM 1056 NZ LYS A 68 -12.447 10.122 2.081 1.00 0.00 N ATOM 0 H LYS A 68 -7.382 7.668 0.031 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.613 7.691 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.970 5.814 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.519 6.311 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.022 8.720 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.885 7.652 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.620 7.271 1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.773 8.403 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.017 9.952 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.431 8.936 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.944 10.907 1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.137 9.520 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.767 10.504 2.769 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.333 4.949 1.560 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.557 3.766 1.887 1.00 0.00 C ATOM 1072 C ILE A 69 -4.287 4.183 2.633 1.00 0.00 C ATOM 1073 O ILE A 69 -3.980 3.642 3.693 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.286 2.939 0.628 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.559 2.240 0.148 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.142 1.950 0.858 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.742 2.412 -1.363 1.00 0.00 C ATOM 0 H ILE A 69 -6.540 5.063 0.568 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.120 3.114 2.555 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.971 3.617 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.511 1.179 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.423 2.650 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.970 1.375 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.236 2.496 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.404 1.273 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.654 1.906 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.814 3.473 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.888 1.980 -1.884 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.585 5.144 2.048 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.357 5.640 2.645 1.00 0.00 C ATOM 1091 C LEU A 70 -2.647 6.136 4.064 1.00 0.00 C ATOM 1092 O LEU A 70 -1.905 5.830 4.995 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.713 6.697 1.744 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.720 6.175 0.704 1.00 0.00 C ATOM 1095 CD1 LEU A 70 0.045 7.328 0.050 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.222 5.137 1.316 1.00 0.00 C ATOM 0 H LEU A 70 -3.843 5.591 1.168 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.625 4.837 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.506 7.234 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.200 7.421 2.376 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.283 5.673 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.744 6.930 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.659 7.998 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.595 7.879 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.917 4.783 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.781 5.591 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.360 4.297 1.695 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.728 6.893 4.181 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.125 7.434 5.470 1.00 0.00 C ATOM 1110 C LYS A 71 -4.502 6.283 6.407 1.00 0.00 C ATOM 1111 O LYS A 71 -4.390 6.408 7.625 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.233 8.474 5.297 1.00 0.00 C ATOM 1113 CG LYS A 71 -4.764 9.856 5.754 1.00 0.00 C ATOM 1114 CD LYS A 71 -5.943 10.825 5.869 1.00 0.00 C ATOM 1115 CE LYS A 71 -6.381 10.985 7.325 1.00 0.00 C ATOM 1116 NZ LYS A 71 -7.130 12.249 7.506 1.00 0.00 N ATOM 0 H LYS A 71 -4.341 7.144 3.405 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.293 7.964 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.536 8.517 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.110 8.175 5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.261 9.773 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.034 10.249 5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.661 11.796 5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.779 10.459 5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.005 10.141 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.507 10.977 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.420 12.341 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.523 13.052 7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.974 12.242 6.899 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.942 5.191 5.801 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.337 4.019 6.566 1.00 0.00 C ATOM 1132 C ALA A 72 -4.231 2.966 6.484 1.00 0.00 C ATOM 1133 O ALA A 72 -4.486 1.776 6.662 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.678 3.497 6.045 1.00 0.00 C ATOM 0 H ALA A 72 -5.034 5.092 4.790 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.472 4.275 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.974 2.619 6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.437 4.272 6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.580 3.228 4.993 1.00 0.00 H new ATOM 1140 N ARG A 73 -3.024 3.441 6.215 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.877 2.555 6.107 1.00 0.00 C ATOM 1142 C ARG A 73 -1.544 1.950 7.473 1.00 0.00 C ATOM 1143 O ARG A 73 -1.182 0.778 7.565 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.652 3.301 5.575 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.090 4.255 6.631 1.00 0.00 C ATOM 1146 CD ARG A 73 0.995 5.156 6.036 1.00 0.00 C ATOM 1147 NE ARG A 73 1.372 6.205 7.009 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.279 7.161 6.768 1.00 0.00 C ATOM 1149 NH1 ARG A 73 2.907 7.206 5.585 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.557 8.073 7.710 1.00 0.00 N ATOM 0 H ARG A 73 -2.815 4.429 6.068 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.136 1.761 5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.115 2.585 5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.923 3.862 4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.895 4.868 7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.323 3.682 7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.870 4.561 5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.634 5.615 5.116 1.00 0.00 H new ATOM 0 HE ARG A 73 0.913 6.200 7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.694 6.512 4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.598 7.934 5.402 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.078 8.039 8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.248 8.801 7.527 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.678 2.777 8.500 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.396 2.338 9.856 1.00 0.00 C ATOM 1166 C GLU A 74 -2.553 1.491 10.390 1.00 0.00 C ATOM 1167 O GLU A 74 -2.393 0.766 11.373 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.121 3.532 10.772 1.00 0.00 C ATOM 1169 CG GLU A 74 0.381 3.713 11.001 1.00 0.00 C ATOM 1170 CD GLU A 74 0.747 3.454 12.463 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.099 4.078 13.331 1.00 0.00 O ATOM 1172 OE2 GLU A 74 1.669 2.638 12.681 1.00 0.00 O ATOM 0 H GLU A 74 -1.978 3.749 8.420 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.498 1.721 9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.537 4.437 10.330 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.623 3.385 11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.936 3.030 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.676 4.725 10.722 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.690 1.609 9.721 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.872 0.864 10.117 1.00 0.00 C ATOM 1181 C HIS A 75 -4.929 -0.456 9.345 1.00 0.00 C ATOM 1182 O HIS A 75 -5.305 -1.488 9.898 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.133 1.710 9.939 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.401 2.662 11.081 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -6.803 2.235 12.334 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.319 4.022 11.145 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -6.955 3.299 13.110 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.654 4.405 12.371 1.00 0.00 N ATOM 0 H HIS A 75 -3.818 2.210 8.907 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.815 0.622 11.178 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.047 2.282 9.015 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.990 1.046 9.824 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.030 4.676 10.336 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.263 3.291 14.145 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.682 5.368 12.705 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.551 -0.379 8.077 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.555 -1.553 7.222 1.00 0.00 C ATOM 1198 C VAL A 76 -3.825 -2.696 7.931 1.00 0.00 C ATOM 1199 O VAL A 76 -2.720 -2.512 8.439 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.950 -1.212 5.860 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.615 -2.482 5.074 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.882 -0.300 5.059 1.00 0.00 C ATOM 0 H VAL A 76 -4.240 0.479 7.622 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.576 -1.885 7.034 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.020 -0.671 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.186 -2.210 4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.896 -3.078 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.524 -3.063 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.428 -0.073 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.836 -0.803 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.047 0.626 5.610 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.473 -3.853 7.943 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.899 -5.025 8.581 1.00 0.00 C ATOM 1214 C ARG A 77 -4.288 -6.290 7.814 1.00 0.00 C ATOM 1215 O ARG A 77 -5.454 -6.478 7.468 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.372 -5.150 10.031 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.934 -6.485 10.637 1.00 0.00 C ATOM 1218 CD ARG A 77 -3.229 -6.272 11.979 1.00 0.00 C ATOM 1219 NE ARG A 77 -4.196 -6.427 13.089 1.00 0.00 N ATOM 1220 CZ ARG A 77 -3.895 -6.233 14.379 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -2.653 -5.877 14.731 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -4.837 -6.396 15.319 1.00 0.00 N ATOM 0 H ARG A 77 -5.389 -4.003 7.521 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.815 -4.910 8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.967 -4.328 10.622 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.458 -5.067 10.072 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.803 -7.128 10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.264 -6.999 9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.417 -6.990 12.090 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.782 -5.278 12.011 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.151 -6.699 12.857 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.936 -5.754 14.016 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.424 -5.729 15.714 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.783 -6.668 15.051 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.608 -6.248 16.302 1.00 0.00 H new ATOM 1236 N MET A 78 -3.290 -7.127 7.570 1.00 0.00 N ATOM 1237 CA MET A 78 -3.513 -8.369 6.850 1.00 0.00 C ATOM 1238 C MET A 78 -3.409 -9.572 7.789 1.00 0.00 C ATOM 1239 O MET A 78 -2.592 -9.579 8.708 1.00 0.00 O ATOM 1240 CB MET A 78 -2.478 -8.503 5.731 1.00 0.00 C ATOM 1241 CG MET A 78 -2.836 -7.607 4.543 1.00 0.00 C ATOM 1242 SD MET A 78 -1.554 -7.693 3.305 1.00 0.00 S ATOM 1243 CE MET A 78 -2.249 -6.617 2.063 1.00 0.00 C ATOM 0 H MET A 78 -2.324 -6.969 7.858 1.00 0.00 H new ATOM 0 HA MET A 78 -4.517 -8.348 6.427 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.492 -8.235 6.109 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.423 -9.541 5.404 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.788 -7.920 4.115 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.961 -6.577 4.878 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.445 -6.161 1.485 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.891 -7.195 1.398 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.837 -5.836 2.546 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.249 -10.563 7.525 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.262 -11.769 8.335 1.00 0.00 C ATOM 1255 C VAL A 79 -4.366 -12.991 7.420 1.00 0.00 C ATOM 1256 O VAL A 79 -5.346 -13.146 6.693 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.392 -11.697 9.364 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.472 -12.987 10.183 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.225 -10.478 10.275 1.00 0.00 C ATOM 0 H VAL A 79 -4.925 -10.555 6.761 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.333 -11.860 8.898 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.332 -11.586 8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.283 -12.909 10.907 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.659 -13.830 9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.530 -13.143 10.709 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.041 -10.449 10.998 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.274 -10.546 10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.241 -9.569 9.673 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.340 -13.827 7.484 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.303 -15.031 6.670 1.00 0.00 C ATOM 1271 C ILE A 80 -4.385 -15.999 7.150 1.00 0.00 C ATOM 1272 O ILE A 80 -4.211 -16.679 8.161 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.896 -15.632 6.667 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.849 -14.577 6.302 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.824 -16.853 5.748 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -0.976 -14.164 4.835 1.00 0.00 C ATOM 0 H ILE A 80 -2.528 -13.695 8.087 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.526 -14.795 5.629 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.669 -15.974 7.677 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.970 -13.703 6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.150 -14.972 6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.813 -17.261 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.527 -17.611 6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.080 -16.558 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.221 -13.414 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.830 -15.036 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.968 -13.748 4.659 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.479 -16.032 6.403 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.589 -16.906 6.740 1.00 0.00 C ATOM 1290 C ILE A 81 -6.202 -18.356 6.440 1.00 0.00 C ATOM 1291 O ILE A 81 -6.392 -19.239 7.274 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.865 -16.451 6.028 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.273 -15.047 6.478 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -8.994 -17.466 6.223 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.261 -14.935 8.004 1.00 0.00 C ATOM 0 H ILE A 81 -5.620 -15.467 5.565 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.808 -16.848 7.806 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.659 -16.400 4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.591 -14.312 6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.269 -14.815 6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.889 -17.118 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.691 -18.430 5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.207 -17.573 7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.555 -13.927 8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -8.962 -15.655 8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.258 -15.143 8.376 1.00 0.00 H new ATOM 1307 N ASN A 82 -5.663 -18.555 5.246 1.00 0.00 N ATOM 1308 CA ASN A 82 -5.247 -19.882 4.825 1.00 0.00 C ATOM 1309 C ASN A 82 -3.961 -19.771 4.003 1.00 0.00 C ATOM 1310 O ASN A 82 -3.809 -18.850 3.202 1.00 0.00 O ATOM 1311 CB ASN A 82 -6.313 -20.542 3.949 1.00 0.00 C ATOM 1312 CG ASN A 82 -6.416 -22.040 4.246 1.00 0.00 C ATOM 1313 OD1 ASN A 82 -5.507 -22.813 3.993 1.00 0.00 O ATOM 1314 ND2 ASN A 82 -7.572 -22.404 4.794 1.00 0.00 N ATOM 0 H ASN A 82 -5.505 -17.820 4.557 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.091 -20.486 5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.278 -20.066 4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.069 -20.392 2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.739 -23.382 5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.291 -21.705 4.979 1.00 0.00 H new ATOM 1321 N GLN A 83 -3.068 -20.724 4.228 1.00 0.00 N ATOM 1322 CA GLN A 83 -1.800 -20.745 3.519 1.00 0.00 C ATOM 1323 C GLN A 83 -1.574 -22.115 2.877 1.00 0.00 C ATOM 1324 O GLN A 83 -2.086 -23.124 3.361 1.00 0.00 O ATOM 1325 CB GLN A 83 -0.644 -20.378 4.451 1.00 0.00 C ATOM 1326 CG GLN A 83 0.311 -19.391 3.777 1.00 0.00 C ATOM 1327 CD GLN A 83 1.629 -19.289 4.549 1.00 0.00 C ATOM 1328 OE1 GLN A 83 1.660 -19.215 5.767 1.00 0.00 O ATOM 1329 NE2 GLN A 83 2.711 -19.289 3.776 1.00 0.00 N ATOM 0 H GLN A 83 -3.198 -21.488 4.892 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.836 -19.996 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.037 -19.940 5.369 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.101 -21.279 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.508 -19.711 2.754 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.157 -18.408 3.719 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.614 -19.354 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.638 -19.224 4.196 1.00 0.00 H new ATOM 1338 N SER A 84 -0.807 -22.108 1.797 1.00 0.00 N ATOM 1339 CA SER A 84 -0.507 -23.338 1.084 1.00 0.00 C ATOM 1340 C SER A 84 0.657 -23.111 0.117 1.00 0.00 C ATOM 1341 O SER A 84 0.499 -22.447 -0.907 1.00 0.00 O ATOM 1342 CB SER A 84 -1.734 -23.848 0.326 1.00 0.00 C ATOM 1343 OG SER A 84 -2.335 -22.828 -0.468 1.00 0.00 O ATOM 0 H SER A 84 -0.384 -21.270 1.398 1.00 0.00 H new ATOM 0 HA SER A 84 -0.223 -24.096 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.444 -24.681 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.466 -24.232 1.037 1.00 0.00 H new ATOM 0 HG SER A 84 -1.635 -22.279 -0.879 1.00 0.00 H new ATOM 1349 N GLY A 85 1.800 -23.676 0.475 1.00 0.00 N ATOM 1350 CA GLY A 85 2.991 -23.544 -0.348 1.00 0.00 C ATOM 1351 C GLY A 85 4.110 -22.834 0.417 1.00 0.00 C ATOM 1352 O GLY A 85 4.016 -21.639 0.694 1.00 0.00 O ATOM 0 H GLY A 85 1.927 -24.227 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.331 -24.531 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.752 -22.985 -1.253 1.00 0.00 H new ATOM 1356 N PRO A 86 5.170 -23.620 0.746 1.00 0.00 N ATOM 1357 CA PRO A 86 6.306 -23.080 1.473 1.00 0.00 C ATOM 1358 C PRO A 86 7.182 -22.219 0.560 1.00 0.00 C ATOM 1359 O PRO A 86 8.168 -22.701 0.006 1.00 0.00 O ATOM 1360 CB PRO A 86 7.035 -24.294 2.023 1.00 0.00 C ATOM 1361 CG PRO A 86 6.551 -25.478 1.202 1.00 0.00 C ATOM 1362 CD PRO A 86 5.315 -25.039 0.434 1.00 0.00 C ATOM 0 HA PRO A 86 6.009 -22.411 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.115 -24.174 1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.814 -24.436 3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.329 -25.810 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.317 -26.322 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.437 -25.199 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.436 -25.604 0.742 1.00 0.00 H new ATOM 1370 N SER A 87 6.790 -20.960 0.431 1.00 0.00 N ATOM 1371 CA SER A 87 7.528 -20.028 -0.404 1.00 0.00 C ATOM 1372 C SER A 87 7.862 -18.765 0.390 1.00 0.00 C ATOM 1373 O SER A 87 7.347 -18.563 1.490 1.00 0.00 O ATOM 1374 CB SER A 87 6.733 -19.668 -1.661 1.00 0.00 C ATOM 1375 OG SER A 87 7.363 -20.146 -2.847 1.00 0.00 O ATOM 0 H SER A 87 5.970 -20.564 0.891 1.00 0.00 H new ATOM 0 HA SER A 87 8.455 -20.509 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.730 -20.089 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.621 -18.585 -1.721 1.00 0.00 H new ATOM 0 HG SER A 87 6.824 -19.897 -3.627 1.00 0.00 H new ATOM 1381 N SER A 88 8.725 -17.947 -0.196 1.00 0.00 N ATOM 1382 CA SER A 88 9.135 -16.708 0.444 1.00 0.00 C ATOM 1383 C SER A 88 9.415 -15.640 -0.615 1.00 0.00 C ATOM 1384 O SER A 88 8.765 -14.596 -0.634 1.00 0.00 O ATOM 1385 CB SER A 88 10.372 -16.925 1.320 1.00 0.00 C ATOM 1386 OG SER A 88 10.971 -15.692 1.710 1.00 0.00 O ATOM 0 H SER A 88 9.151 -18.118 -1.107 1.00 0.00 H new ATOM 0 HA SER A 88 8.322 -16.369 1.086 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.092 -17.490 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.101 -17.526 0.776 1.00 0.00 H new ATOM 0 HG SER A 88 11.756 -15.872 2.269 1.00 0.00 H new ATOM 1392 N GLY A 89 10.383 -15.938 -1.469 1.00 0.00 N ATOM 1393 CA GLY A 89 10.756 -15.016 -2.528 1.00 0.00 C ATOM 1394 C GLY A 89 11.914 -15.573 -3.357 1.00 0.00 C ATOM 1395 O GLY A 89 12.297 -14.987 -4.368 1.00 0.00 O ATOM 0 H GLY A 89 10.920 -16.805 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.897 -14.832 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.042 -14.057 -2.096 1.00 0.00 H new TER 1399 GLY A 89