USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 842 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 NoAdj-H: A 29 HIS HD1 : A 29 HIS ND1 : A 123 ZNZN :(H bumps) USER MOD Set 1.1: A 110 ASN : amide:sc= -0.131 K(o=-0.0051,f=-4.3!) USER MOD Set 1.2: A 111 THR OG1 : rot -72:sc= 0.126 USER MOD Set 2.1: A 52 LYS NZ :NH3+ -174:sc= 2.44 (180deg=1.17) USER MOD Set 2.2: A 62 TYR OH : rot 180:sc= 1.12 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 1.4 (180deg=-0.384) USER MOD Single : A 2 SER OG : rot 180:sc= 0.084 USER MOD Single : A 4 SER OG : rot 180:sc= 0.00463 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 58:sc= 1.72 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -160:sc= 1.12 USER MOD Single : A 30 SER OG : rot -125:sc= 1.34 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 1.36 (180deg=1.27) USER MOD Single : A 36 SER OG : rot 43:sc= 0.737 USER MOD Single : A 37 SER OG : rot 78:sc= 1.2 USER MOD Single : A 39 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc=-0.00172 K(o=-0.0017,f=-2.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 48 SER OG : rot -38:sc= 1.67 USER MOD Single : A 49 SER OG : rot 174:sc= -2.8! USER MOD Single : A 50 TYR OH : rot 23:sc= 0.704 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 178:sc= -1.09 (180deg=-1.12) USER MOD Single : A 60 ASN : amide:sc= -0.912 K(o=-0.91,f=-2.4!) USER MOD Single : A 68 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.002) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0711 USER MOD Single : A 74 SER OG : rot -152:sc= 1.22 USER MOD Single : A 77 HIS : no HD1:sc= 0.703 K(o=0.7,f=-4.4!) USER MOD Single : A 78 MET CE :methyl -179:sc= -0.912 (180deg=-0.935) USER MOD Single : A 80 SER OG : rot 160:sc= 1.38 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0557 USER MOD Single : A 93 MET CE :methyl 166:sc=-0.000255 (180deg=-0.0719) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 112 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.015) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.072 4.571 -5.555 1.00 0.00 N ATOM 2 CA GLY A 1 -15.136 6.039 -5.755 1.00 0.00 C ATOM 3 C GLY A 1 -15.071 6.412 -7.214 1.00 0.00 C ATOM 4 O GLY A 1 -15.940 6.024 -7.996 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.793 4.283 -4.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.249 4.089 -6.460 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.129 4.309 -5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.060 6.424 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.312 6.514 -5.222 1.00 0.00 H new ATOM 10 N SER A 2 -13.990 7.078 -7.601 1.00 0.00 N ATOM 11 CA SER A 2 -13.751 7.414 -8.995 1.00 0.00 C ATOM 12 C SER A 2 -13.614 6.136 -9.822 1.00 0.00 C ATOM 13 O SER A 2 -14.108 6.052 -10.946 1.00 0.00 O ATOM 14 CB SER A 2 -12.494 8.278 -9.113 1.00 0.00 C ATOM 15 OG SER A 2 -12.270 9.008 -7.912 1.00 0.00 O ATOM 0 H SER A 2 -13.262 7.397 -6.962 1.00 0.00 H new ATOM 0 HA SER A 2 -14.597 7.983 -9.381 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.632 7.647 -9.327 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.599 8.969 -9.950 1.00 0.00 H new ATOM 0 HG SER A 2 -11.461 9.553 -8.006 1.00 0.00 H new ATOM 21 N LEU A 3 -13.087 5.098 -9.188 1.00 0.00 N ATOM 22 CA LEU A 3 -13.041 3.775 -9.788 1.00 0.00 C ATOM 23 C LEU A 3 -13.571 2.747 -8.793 1.00 0.00 C ATOM 24 O LEU A 3 -14.148 3.116 -7.766 1.00 0.00 O ATOM 25 CB LEU A 3 -11.613 3.419 -10.215 1.00 0.00 C ATOM 26 CG LEU A 3 -10.506 4.156 -9.466 1.00 0.00 C ATOM 27 CD1 LEU A 3 -9.582 3.165 -8.779 1.00 0.00 C ATOM 28 CD2 LEU A 3 -9.723 5.051 -10.415 1.00 0.00 C ATOM 0 H LEU A 3 -12.683 5.149 -8.253 1.00 0.00 H new ATOM 0 HA LEU A 3 -13.668 3.770 -10.680 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.468 2.347 -10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.508 3.625 -11.280 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.964 4.786 -8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.798 3.706 -8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.153 2.567 -8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.131 2.511 -9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.938 5.568 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.274 4.443 -11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.395 5.783 -10.862 1.00 0.00 H new ATOM 40 N SER A 4 -13.353 1.473 -9.082 1.00 0.00 N ATOM 41 CA SER A 4 -13.770 0.405 -8.184 1.00 0.00 C ATOM 42 C SER A 4 -12.803 0.292 -7.014 1.00 0.00 C ATOM 43 O SER A 4 -11.645 0.707 -7.113 1.00 0.00 O ATOM 44 CB SER A 4 -13.837 -0.921 -8.939 1.00 0.00 C ATOM 45 OG SER A 4 -14.184 -0.710 -10.298 1.00 0.00 O ATOM 0 H SER A 4 -12.889 1.153 -9.932 1.00 0.00 H new ATOM 0 HA SER A 4 -14.761 0.641 -7.797 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.874 -1.428 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 4 -14.571 -1.576 -8.469 1.00 0.00 H new ATOM 0 HG SER A 4 -14.220 -1.571 -10.764 1.00 0.00 H new ATOM 51 N TRP A 5 -13.283 -0.253 -5.906 1.00 0.00 N ATOM 52 CA TRP A 5 -12.460 -0.405 -4.719 1.00 0.00 C ATOM 53 C TRP A 5 -11.332 -1.394 -4.959 1.00 0.00 C ATOM 54 O TRP A 5 -11.469 -2.340 -5.738 1.00 0.00 O ATOM 55 CB TRP A 5 -13.306 -0.848 -3.527 1.00 0.00 C ATOM 56 CG TRP A 5 -13.596 0.270 -2.580 1.00 0.00 C ATOM 57 CD1 TRP A 5 -13.463 1.602 -2.833 1.00 0.00 C ATOM 58 CD2 TRP A 5 -14.059 0.159 -1.232 1.00 0.00 C ATOM 59 NE1 TRP A 5 -13.823 2.328 -1.728 1.00 0.00 N ATOM 60 CE2 TRP A 5 -14.192 1.468 -0.731 1.00 0.00 C ATOM 61 CE3 TRP A 5 -14.380 -0.916 -0.402 1.00 0.00 C ATOM 62 CZ2 TRP A 5 -14.625 1.724 0.562 1.00 0.00 C ATOM 63 CZ3 TRP A 5 -14.811 -0.658 0.882 1.00 0.00 C ATOM 64 CH2 TRP A 5 -14.932 0.651 1.351 1.00 0.00 C ATOM 0 H TRP A 5 -14.238 -0.597 -5.806 1.00 0.00 H new ATOM 0 HA TRP A 5 -12.021 0.567 -4.493 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -14.246 -1.266 -3.889 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -12.787 -1.645 -2.994 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -13.124 2.024 -3.767 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -13.817 3.346 -1.660 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -14.292 -1.932 -0.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -14.716 2.735 0.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -15.059 -1.482 1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -15.276 0.820 2.361 1.00 0.00 H new ATOM 75 N LYS A 6 -10.193 -1.117 -4.353 1.00 0.00 N ATOM 76 CA LYS A 6 -9.008 -1.936 -4.545 1.00 0.00 C ATOM 77 C LYS A 6 -8.601 -2.589 -3.236 1.00 0.00 C ATOM 78 O LYS A 6 -7.639 -3.352 -3.195 1.00 0.00 O ATOM 79 CB LYS A 6 -7.858 -1.094 -5.103 1.00 0.00 C ATOM 80 CG LYS A 6 -8.253 0.339 -5.416 1.00 0.00 C ATOM 81 CD LYS A 6 -7.576 0.852 -6.673 1.00 0.00 C ATOM 82 CE LYS A 6 -6.879 2.180 -6.423 1.00 0.00 C ATOM 83 NZ LYS A 6 -6.130 2.659 -7.613 1.00 0.00 N ATOM 0 H LYS A 6 -10.062 -0.328 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.242 -2.719 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.040 -1.088 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.480 -1.565 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.335 0.399 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.990 0.980 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.850 0.118 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.316 0.971 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.619 2.928 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.192 2.074 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.673 3.567 -7.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.405 1.960 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.787 2.786 -8.409 1.00 0.00 H new ATOM 97 N ARG A 7 -9.419 -2.344 -2.209 1.00 0.00 N ATOM 98 CA ARG A 7 -9.293 -2.971 -0.878 1.00 0.00 C ATOM 99 C ARG A 7 -7.979 -2.627 -0.161 1.00 0.00 C ATOM 100 O ARG A 7 -6.944 -2.426 -0.793 1.00 0.00 O ATOM 101 CB ARG A 7 -9.450 -4.497 -0.982 1.00 0.00 C ATOM 102 CG ARG A 7 -8.131 -5.252 -1.074 1.00 0.00 C ATOM 103 CD ARG A 7 -8.211 -6.608 -0.417 1.00 0.00 C ATOM 104 NE ARG A 7 -7.463 -6.653 0.834 1.00 0.00 N ATOM 105 CZ ARG A 7 -6.783 -7.720 1.258 1.00 0.00 C ATOM 106 NH1 ARG A 7 -6.847 -8.868 0.589 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.058 -7.642 2.366 1.00 0.00 N ATOM 0 H ARG A 7 -10.203 -1.694 -2.274 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.099 -2.556 -0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.001 -4.855 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.052 -4.731 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.854 -5.372 -2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.343 -4.665 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.255 -6.857 -0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.823 -7.365 -1.099 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.459 -5.818 1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.418 -8.936 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.325 -9.680 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.021 -6.768 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.537 -8.456 2.693 1.00 0.00 H new ATOM 121 N CYS A 8 -8.008 -2.687 1.172 1.00 0.00 N ATOM 122 CA CYS A 8 -6.801 -2.523 1.968 1.00 0.00 C ATOM 123 C CYS A 8 -6.004 -3.810 1.965 1.00 0.00 C ATOM 124 O CYS A 8 -6.445 -4.825 2.507 1.00 0.00 O ATOM 125 CB CYS A 8 -7.111 -2.133 3.417 1.00 0.00 C ATOM 126 SG CYS A 8 -5.624 -1.690 4.381 1.00 0.00 S ATOM 0 H CYS A 8 -8.855 -2.848 1.717 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.225 -1.716 1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.801 -1.289 3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.620 -2.962 3.908 1.00 0.00 H new ATOM 131 N ALA A 9 -4.800 -3.746 1.429 1.00 0.00 N ATOM 132 CA ALA A 9 -3.907 -4.889 1.432 1.00 0.00 C ATOM 133 C ALA A 9 -3.184 -4.987 2.770 1.00 0.00 C ATOM 134 O ALA A 9 -2.387 -5.900 2.998 1.00 0.00 O ATOM 135 CB ALA A 9 -2.916 -4.788 0.287 1.00 0.00 C ATOM 0 H ALA A 9 -4.417 -2.912 0.985 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.495 -5.796 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.253 -5.653 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.455 -4.761 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.327 -3.877 0.395 1.00 0.00 H new ATOM 141 N GLY A 10 -3.488 -4.052 3.660 1.00 0.00 N ATOM 142 CA GLY A 10 -2.882 -4.047 4.971 1.00 0.00 C ATOM 143 C GLY A 10 -3.618 -4.930 5.954 1.00 0.00 C ATOM 144 O GLY A 10 -3.000 -5.733 6.655 1.00 0.00 O ATOM 0 H GLY A 10 -4.149 -3.293 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.848 -4.382 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.858 -3.026 5.352 1.00 0.00 H new ATOM 148 N CYS A 11 -4.939 -4.800 6.007 1.00 0.00 N ATOM 149 CA CYS A 11 -5.725 -5.584 6.946 1.00 0.00 C ATOM 150 C CYS A 11 -6.691 -6.533 6.228 1.00 0.00 C ATOM 151 O CYS A 11 -6.262 -7.438 5.507 1.00 0.00 O ATOM 152 CB CYS A 11 -6.474 -4.657 7.915 1.00 0.00 C ATOM 153 SG CYS A 11 -7.522 -3.397 7.115 1.00 0.00 S ATOM 0 H CYS A 11 -5.480 -4.167 5.418 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.039 -6.206 7.521 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.098 -5.266 8.569 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.745 -4.153 8.550 1.00 0.00 H new ATOM 158 N GLY A 12 -7.977 -6.379 6.507 1.00 0.00 N ATOM 159 CA GLY A 12 -8.975 -7.293 5.988 1.00 0.00 C ATOM 160 C GLY A 12 -9.279 -7.080 4.520 1.00 0.00 C ATOM 161 O GLY A 12 -9.055 -7.972 3.698 1.00 0.00 O ATOM 0 H GLY A 12 -8.350 -5.630 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.631 -8.317 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.895 -7.180 6.562 1.00 0.00 H new ATOM 165 N GLY A 13 -9.812 -5.914 4.190 1.00 0.00 N ATOM 166 CA GLY A 13 -10.166 -5.628 2.818 1.00 0.00 C ATOM 167 C GLY A 13 -10.941 -4.337 2.669 1.00 0.00 C ATOM 168 O GLY A 13 -10.395 -3.331 2.225 1.00 0.00 O ATOM 0 H GLY A 13 -10.006 -5.160 4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.258 -5.573 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.761 -6.451 2.422 1.00 0.00 H new ATOM 172 N LYS A 14 -12.218 -4.366 3.019 1.00 0.00 N ATOM 173 CA LYS A 14 -13.072 -3.194 2.880 1.00 0.00 C ATOM 174 C LYS A 14 -12.634 -2.088 3.834 1.00 0.00 C ATOM 175 O LYS A 14 -12.469 -2.316 5.034 1.00 0.00 O ATOM 176 CB LYS A 14 -14.535 -3.563 3.139 1.00 0.00 C ATOM 177 CG LYS A 14 -15.321 -3.878 1.875 1.00 0.00 C ATOM 178 CD LYS A 14 -15.158 -5.329 1.462 1.00 0.00 C ATOM 179 CE LYS A 14 -15.642 -5.560 0.041 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.126 -5.569 -0.047 1.00 0.00 N ATOM 0 H LYS A 14 -12.687 -5.187 3.401 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.978 -2.826 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.570 -4.427 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.021 -2.739 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.377 -3.662 2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.985 -3.229 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.109 -5.616 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.716 -5.968 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.245 -4.780 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.251 -6.509 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.414 -5.730 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.505 -6.330 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.499 -4.654 0.278 1.00 0.00 H new ATOM 194 N ILE A 15 -12.415 -0.900 3.289 1.00 0.00 N ATOM 195 CA ILE A 15 -11.990 0.241 4.083 1.00 0.00 C ATOM 196 C ILE A 15 -13.172 1.154 4.381 1.00 0.00 C ATOM 197 O ILE A 15 -13.484 2.051 3.605 1.00 0.00 O ATOM 198 CB ILE A 15 -10.889 1.059 3.372 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.746 0.141 2.914 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.367 2.156 4.295 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.460 0.878 2.611 1.00 0.00 C ATOM 0 H ILE A 15 -12.526 -0.702 2.295 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.582 -0.154 5.013 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.320 1.529 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.555 -0.602 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.062 -0.402 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.592 2.725 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.186 2.822 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.950 1.706 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.698 0.166 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.634 1.602 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.119 1.399 3.506 1.00 0.00 H new ATOM 212 N ALA A 16 -13.798 0.951 5.529 1.00 0.00 N ATOM 213 CA ALA A 16 -14.909 1.793 5.945 1.00 0.00 C ATOM 214 C ALA A 16 -14.409 2.894 6.871 1.00 0.00 C ATOM 215 O ALA A 16 -15.140 3.391 7.728 1.00 0.00 O ATOM 216 CB ALA A 16 -15.978 0.953 6.629 1.00 0.00 C ATOM 0 H ALA A 16 -13.557 0.212 6.189 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.353 2.258 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.804 1.595 6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.345 0.196 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.552 0.466 7.506 1.00 0.00 H new ATOM 222 N ASP A 17 -13.139 3.229 6.722 1.00 0.00 N ATOM 223 CA ASP A 17 -12.506 4.235 7.558 1.00 0.00 C ATOM 224 C ASP A 17 -12.401 5.558 6.824 1.00 0.00 C ATOM 225 O ASP A 17 -12.552 5.614 5.606 1.00 0.00 O ATOM 226 CB ASP A 17 -11.114 3.773 7.981 1.00 0.00 C ATOM 227 CG ASP A 17 -11.121 3.079 9.323 1.00 0.00 C ATOM 228 OD1 ASP A 17 -11.100 3.773 10.364 1.00 0.00 O ATOM 229 OD2 ASP A 17 -11.151 1.831 9.345 1.00 0.00 O ATOM 0 H ASP A 17 -12.521 2.815 6.024 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.124 4.374 8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.714 3.095 7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.446 4.633 8.023 1.00 0.00 H new ATOM 234 N ARG A 18 -12.047 6.599 7.558 1.00 0.00 N ATOM 235 CA ARG A 18 -11.830 7.910 6.969 1.00 0.00 C ATOM 236 C ARG A 18 -10.389 8.030 6.487 1.00 0.00 C ATOM 237 O ARG A 18 -10.087 8.781 5.563 1.00 0.00 O ATOM 238 CB ARG A 18 -12.133 9.001 7.999 1.00 0.00 C ATOM 239 CG ARG A 18 -12.259 10.398 7.409 1.00 0.00 C ATOM 240 CD ARG A 18 -11.943 11.466 8.440 1.00 0.00 C ATOM 241 NE ARG A 18 -10.814 12.301 8.034 1.00 0.00 N ATOM 242 CZ ARG A 18 -10.637 13.563 8.420 1.00 0.00 C ATOM 243 NH1 ARG A 18 -11.505 14.147 9.243 1.00 0.00 N ATOM 244 NH2 ARG A 18 -9.586 14.239 7.974 1.00 0.00 N ATOM 0 H ARG A 18 -11.903 6.562 8.567 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.499 8.034 6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.061 8.751 8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.343 9.006 8.750 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.583 10.498 6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.270 10.544 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.821 12.093 8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.719 10.992 9.396 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.116 11.890 7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.314 13.627 9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.361 15.114 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.923 13.791 7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.441 15.206 8.264 1.00 0.00 H new ATOM 258 N PHE A 19 -9.498 7.322 7.158 1.00 0.00 N ATOM 259 CA PHE A 19 -8.079 7.391 6.848 1.00 0.00 C ATOM 260 C PHE A 19 -7.679 6.287 5.878 1.00 0.00 C ATOM 261 O PHE A 19 -7.369 5.166 6.287 1.00 0.00 O ATOM 262 CB PHE A 19 -7.251 7.303 8.135 1.00 0.00 C ATOM 263 CG PHE A 19 -7.216 8.592 8.909 1.00 0.00 C ATOM 264 CD1 PHE A 19 -8.080 9.626 8.594 1.00 0.00 C ATOM 265 CD2 PHE A 19 -6.317 8.772 9.948 1.00 0.00 C ATOM 266 CE1 PHE A 19 -8.055 10.812 9.292 1.00 0.00 C ATOM 267 CE2 PHE A 19 -6.284 9.960 10.654 1.00 0.00 C ATOM 268 CZ PHE A 19 -7.156 10.982 10.326 1.00 0.00 C ATOM 0 H PHE A 19 -9.732 6.690 7.924 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.879 8.349 6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.661 6.517 8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.232 7.010 7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.786 9.500 7.787 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.635 7.976 10.209 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.737 11.608 9.031 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.578 10.090 11.461 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.134 11.911 10.877 1.00 0.00 H new ATOM 278 N LEU A 20 -7.689 6.612 4.592 1.00 0.00 N ATOM 279 CA LEU A 20 -7.327 5.657 3.559 1.00 0.00 C ATOM 280 C LEU A 20 -6.121 6.144 2.764 1.00 0.00 C ATOM 281 O LEU A 20 -5.891 7.349 2.623 1.00 0.00 O ATOM 282 CB LEU A 20 -8.514 5.404 2.620 1.00 0.00 C ATOM 283 CG LEU A 20 -8.264 5.709 1.137 1.00 0.00 C ATOM 284 CD1 LEU A 20 -8.779 4.576 0.262 1.00 0.00 C ATOM 285 CD2 LEU A 20 -8.912 7.026 0.748 1.00 0.00 C ATOM 0 H LEU A 20 -7.945 7.535 4.241 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.060 4.720 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.811 4.359 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.357 6.006 2.959 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.189 5.797 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.592 4.812 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.264 3.652 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.850 4.452 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.724 7.226 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.987 6.968 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.491 7.831 1.350 1.00 0.00 H new ATOM 297 N LEU A 21 -5.384 5.197 2.217 1.00 0.00 N ATOM 298 CA LEU A 21 -4.230 5.481 1.388 1.00 0.00 C ATOM 299 C LEU A 21 -4.249 4.554 0.179 1.00 0.00 C ATOM 300 O LEU A 21 -4.758 3.442 0.261 1.00 0.00 O ATOM 301 CB LEU A 21 -2.950 5.261 2.198 1.00 0.00 C ATOM 302 CG LEU A 21 -1.853 6.306 2.000 1.00 0.00 C ATOM 303 CD1 LEU A 21 -0.946 6.359 3.216 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.041 6.007 0.750 1.00 0.00 C ATOM 0 H LEU A 21 -5.571 4.201 2.337 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.260 6.517 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.212 5.232 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.544 4.282 1.943 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.329 7.279 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.170 7.108 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.532 6.623 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.483 5.384 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.266 6.764 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.577 5.025 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.697 6.017 -0.121 1.00 0.00 H new ATOM 316 N TYR A 22 -3.685 4.996 -0.929 1.00 0.00 N ATOM 317 CA TYR A 22 -3.576 4.154 -2.114 1.00 0.00 C ATOM 318 C TYR A 22 -2.125 3.768 -2.309 1.00 0.00 C ATOM 319 O TYR A 22 -1.266 4.645 -2.421 1.00 0.00 O ATOM 320 CB TYR A 22 -4.027 4.855 -3.402 1.00 0.00 C ATOM 321 CG TYR A 22 -5.389 5.530 -3.401 1.00 0.00 C ATOM 322 CD1 TYR A 22 -5.833 6.317 -2.343 1.00 0.00 C ATOM 323 CD2 TYR A 22 -6.215 5.407 -4.510 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.059 6.949 -2.389 1.00 0.00 C ATOM 325 CE2 TYR A 22 -7.447 6.033 -4.560 1.00 0.00 C ATOM 326 CZ TYR A 22 -7.862 6.805 -3.501 1.00 0.00 C ATOM 327 OH TYR A 22 -9.084 7.438 -3.550 1.00 0.00 O ATOM 0 H TYR A 22 -3.294 5.932 -1.037 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.225 3.295 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.280 5.608 -3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.019 4.118 -4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.207 6.435 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.889 4.811 -5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.388 7.554 -1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.080 5.916 -5.427 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.956 8.404 -3.447 1.00 0.00 H new ATOM 337 N ALA A 23 -1.860 2.483 -2.440 1.00 0.00 N ATOM 338 CA ALA A 23 -0.522 2.030 -2.758 1.00 0.00 C ATOM 339 C ALA A 23 -0.560 0.689 -3.473 1.00 0.00 C ATOM 340 O ALA A 23 -1.373 -0.173 -3.138 1.00 0.00 O ATOM 341 CB ALA A 23 0.343 1.959 -1.506 1.00 0.00 C ATOM 0 H ALA A 23 -2.549 1.739 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.071 2.758 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.343 1.616 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.408 2.948 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.102 1.262 -0.796 1.00 0.00 H new ATOM 347 N MET A 24 0.308 0.534 -4.471 1.00 0.00 N ATOM 348 CA MET A 24 0.404 -0.700 -5.256 1.00 0.00 C ATOM 349 C MET A 24 -0.877 -0.957 -6.050 1.00 0.00 C ATOM 350 O MET A 24 -1.236 -2.113 -6.295 1.00 0.00 O ATOM 351 CB MET A 24 0.703 -1.902 -4.346 1.00 0.00 C ATOM 352 CG MET A 24 2.185 -2.181 -4.152 1.00 0.00 C ATOM 353 SD MET A 24 2.492 -3.426 -2.882 1.00 0.00 S ATOM 354 CE MET A 24 2.464 -4.922 -3.868 1.00 0.00 C ATOM 0 H MET A 24 0.965 1.259 -4.760 1.00 0.00 H new ATOM 0 HA MET A 24 1.226 -0.575 -5.961 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.246 -1.729 -3.372 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.229 -2.789 -4.767 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.615 -2.515 -5.096 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.693 -1.256 -3.880 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.639 -5.785 -3.225 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.492 -5.021 -4.351 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.244 -4.871 -4.628 1.00 0.00 H new ATOM 364 N ASP A 25 -1.614 0.118 -6.354 1.00 0.00 N ATOM 365 CA ASP A 25 -2.905 0.024 -7.050 1.00 0.00 C ATOM 366 C ASP A 25 -3.955 -0.610 -6.157 1.00 0.00 C ATOM 367 O ASP A 25 -5.069 -0.892 -6.590 1.00 0.00 O ATOM 368 CB ASP A 25 -2.795 -0.757 -8.366 1.00 0.00 C ATOM 369 CG ASP A 25 -2.758 0.143 -9.582 1.00 0.00 C ATOM 370 OD1 ASP A 25 -3.551 1.111 -9.642 1.00 0.00 O ATOM 371 OD2 ASP A 25 -1.948 -0.119 -10.497 1.00 0.00 O ATOM 0 H ASP A 25 -1.335 1.073 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.210 1.042 -7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.893 -1.369 -8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.641 -1.439 -8.450 1.00 0.00 H new ATOM 376 N SER A 26 -3.624 -0.728 -4.886 1.00 0.00 N ATOM 377 CA SER A 26 -4.552 -1.195 -3.879 1.00 0.00 C ATOM 378 C SER A 26 -4.765 -0.081 -2.872 1.00 0.00 C ATOM 379 O SER A 26 -4.182 0.998 -3.003 1.00 0.00 O ATOM 380 CB SER A 26 -3.995 -2.446 -3.191 1.00 0.00 C ATOM 381 OG SER A 26 -2.919 -2.991 -3.941 1.00 0.00 O ATOM 0 H SER A 26 -2.698 -0.501 -4.523 1.00 0.00 H new ATOM 0 HA SER A 26 -5.504 -1.460 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.655 -2.194 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.784 -3.190 -3.083 1.00 0.00 H new ATOM 0 HG SER A 26 -2.574 -3.788 -3.487 1.00 0.00 H new ATOM 387 N TYR A 27 -5.533 -0.349 -1.844 1.00 0.00 N ATOM 388 CA TYR A 27 -5.719 0.616 -0.788 1.00 0.00 C ATOM 389 C TYR A 27 -5.042 0.123 0.472 1.00 0.00 C ATOM 390 O TYR A 27 -4.717 -1.058 0.590 1.00 0.00 O ATOM 391 CB TYR A 27 -7.201 0.854 -0.517 1.00 0.00 C ATOM 392 CG TYR A 27 -7.933 1.591 -1.610 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.267 2.409 -2.523 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.313 1.472 -1.721 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.969 3.074 -3.505 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.014 2.137 -2.705 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.338 2.939 -3.593 1.00 0.00 C ATOM 398 OH TYR A 27 -10.025 3.601 -4.585 1.00 0.00 O ATOM 0 H TYR A 27 -6.038 -1.226 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.274 1.560 -1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.686 -0.109 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.300 1.417 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.195 2.522 -2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.848 0.846 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.444 3.703 -4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.086 2.028 -2.777 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.971 3.671 -4.337 1.00 0.00 H new ATOM 408 N TRP A 28 -4.787 1.038 1.378 1.00 0.00 N ATOM 409 CA TRP A 28 -4.138 0.727 2.634 1.00 0.00 C ATOM 410 C TRP A 28 -4.671 1.659 3.709 1.00 0.00 C ATOM 411 O TRP A 28 -5.196 2.727 3.400 1.00 0.00 O ATOM 412 CB TRP A 28 -2.615 0.906 2.529 1.00 0.00 C ATOM 413 CG TRP A 28 -1.937 -0.025 1.562 1.00 0.00 C ATOM 414 CD1 TRP A 28 -1.881 0.105 0.204 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.204 -1.214 1.880 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.171 -0.934 -0.342 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.741 -1.756 0.665 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.895 -1.875 3.070 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.015 -2.924 0.611 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.144 -3.034 3.014 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.303 -3.548 1.792 1.00 0.00 C ATOM 0 H TRP A 28 -5.024 2.024 1.266 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.349 -0.312 2.885 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.403 1.933 2.232 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.177 0.763 3.517 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.331 0.910 -0.359 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.992 -1.072 -1.337 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.237 -1.487 4.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.362 -3.323 -0.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.102 -3.552 3.929 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.887 -4.456 1.782 1.00 0.00 H new ATOM 432 N HIS A 29 -4.374 1.342 4.952 1.00 0.00 N ATOM 433 CA HIS A 29 -4.627 2.264 6.040 1.00 0.00 C ATOM 434 C HIS A 29 -3.314 2.948 6.387 1.00 0.00 C ATOM 435 O HIS A 29 -2.255 2.513 5.924 1.00 0.00 O ATOM 436 CB HIS A 29 -5.186 1.532 7.264 1.00 0.00 C ATOM 437 CG HIS A 29 -6.666 1.297 7.219 1.00 0.00 C ATOM 438 ND1 HIS A 29 -7.191 0.057 6.966 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.687 2.164 7.431 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.502 0.181 7.031 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.857 1.448 7.312 1.00 0.00 N ATOM 0 H HIS A 29 -3.958 0.455 5.234 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.372 2.999 5.735 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.680 0.571 7.361 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.948 2.109 8.158 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.599 3.218 7.652 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.200 -0.629 6.879 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.806 1.807 7.416 1.00 0.00 H new ATOM 449 N SER A 30 -3.375 4.023 7.160 1.00 0.00 N ATOM 450 CA SER A 30 -2.179 4.782 7.503 1.00 0.00 C ATOM 451 C SER A 30 -1.121 3.896 8.163 1.00 0.00 C ATOM 452 O SER A 30 0.065 3.974 7.825 1.00 0.00 O ATOM 453 CB SER A 30 -2.548 5.941 8.423 1.00 0.00 C ATOM 454 OG SER A 30 -3.950 6.167 8.415 1.00 0.00 O ATOM 0 H SER A 30 -4.238 4.389 7.561 1.00 0.00 H new ATOM 0 HA SER A 30 -1.751 5.174 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.216 5.725 9.438 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.028 6.844 8.103 1.00 0.00 H new ATOM 0 HG SER A 30 -4.129 7.102 8.183 1.00 0.00 H new ATOM 460 N ARG A 31 -1.555 3.045 9.086 1.00 0.00 N ATOM 461 CA ARG A 31 -0.647 2.152 9.791 1.00 0.00 C ATOM 462 C ARG A 31 -0.688 0.738 9.209 1.00 0.00 C ATOM 463 O ARG A 31 0.089 -0.129 9.614 1.00 0.00 O ATOM 464 CB ARG A 31 -0.985 2.118 11.281 1.00 0.00 C ATOM 465 CG ARG A 31 -0.223 3.152 12.094 1.00 0.00 C ATOM 466 CD ARG A 31 -0.336 2.885 13.585 1.00 0.00 C ATOM 467 NE ARG A 31 0.540 1.798 14.017 1.00 0.00 N ATOM 468 CZ ARG A 31 0.598 1.342 15.268 1.00 0.00 C ATOM 469 NH1 ARG A 31 -0.127 1.909 16.226 1.00 0.00 N ATOM 470 NH2 ARG A 31 1.395 0.326 15.567 1.00 0.00 N ATOM 0 H ARG A 31 -2.533 2.956 9.363 1.00 0.00 H new ATOM 0 HA ARG A 31 0.364 2.538 9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.055 2.283 11.408 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.767 1.125 11.673 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.827 3.144 11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.609 4.147 11.872 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.086 3.792 14.135 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.369 2.637 13.831 1.00 0.00 H new ATOM 0 HE ARG A 31 1.143 1.362 13.319 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.734 2.699 16.007 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.077 1.554 17.181 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.964 -0.107 14.840 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.439 -0.023 16.524 1.00 0.00 H new ATOM 484 N CYS A 32 -1.539 0.529 8.206 1.00 0.00 N ATOM 485 CA CYS A 32 -1.585 -0.748 7.504 1.00 0.00 C ATOM 486 C CYS A 32 -0.462 -0.806 6.475 1.00 0.00 C ATOM 487 O CYS A 32 0.256 -1.803 6.377 1.00 0.00 O ATOM 488 CB CYS A 32 -2.934 -0.944 6.809 1.00 0.00 C ATOM 489 SG CYS A 32 -4.258 -1.625 7.867 1.00 0.00 S ATOM 0 H CYS A 32 -2.202 1.225 7.864 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.457 -1.548 8.234 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.264 0.016 6.413 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.793 -1.609 5.957 1.00 0.00 H new ATOM 494 N LEU A 33 -0.296 0.298 5.744 1.00 0.00 N ATOM 495 CA LEU A 33 0.771 0.426 4.759 1.00 0.00 C ATOM 496 C LEU A 33 2.119 0.287 5.448 1.00 0.00 C ATOM 497 O LEU A 33 2.716 -0.791 5.429 1.00 0.00 O ATOM 498 CB LEU A 33 0.664 1.780 4.041 1.00 0.00 C ATOM 499 CG LEU A 33 1.690 2.028 2.931 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.747 0.855 1.966 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.355 3.306 2.182 1.00 0.00 C ATOM 0 H LEU A 33 -0.894 1.121 5.820 1.00 0.00 H new ATOM 0 HA LEU A 33 0.675 -0.364 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.335 1.865 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.761 2.572 4.783 1.00 0.00 H new ATOM 0 HG LEU A 33 2.671 2.134 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.484 1.059 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.031 -0.048 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.768 0.712 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.092 3.471 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.364 3.218 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.369 4.148 2.874 1.00 0.00 H new ATOM 513 N LYS A 34 2.491 1.328 6.194 1.00 0.00 N ATOM 514 CA LYS A 34 3.662 1.306 7.074 1.00 0.00 C ATOM 515 C LYS A 34 4.959 0.955 6.356 1.00 0.00 C ATOM 516 O LYS A 34 4.992 0.614 5.171 1.00 0.00 O ATOM 517 CB LYS A 34 3.404 0.371 8.275 1.00 0.00 C ATOM 518 CG LYS A 34 4.145 -0.960 8.228 1.00 0.00 C ATOM 519 CD LYS A 34 3.195 -2.135 8.387 1.00 0.00 C ATOM 520 CE LYS A 34 3.599 -3.297 7.497 1.00 0.00 C ATOM 521 NZ LYS A 34 2.749 -3.383 6.281 1.00 0.00 N ATOM 0 H LYS A 34 1.987 2.215 6.205 1.00 0.00 H new ATOM 0 HA LYS A 34 3.805 2.323 7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.685 0.894 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.334 0.172 8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.677 -1.047 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.895 -0.988 9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.184 -2.458 9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.181 -1.821 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.643 -3.184 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.525 -4.228 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.988 -4.245 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.747 -3.414 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.916 -2.550 5.681 1.00 0.00 H new ATOM 535 N CYS A 35 6.030 1.204 7.070 1.00 0.00 N ATOM 536 CA CYS A 35 7.370 1.042 6.577 1.00 0.00 C ATOM 537 C CYS A 35 7.773 -0.429 6.507 1.00 0.00 C ATOM 538 O CYS A 35 7.004 -1.318 6.880 1.00 0.00 O ATOM 539 CB CYS A 35 8.278 1.748 7.558 1.00 0.00 C ATOM 540 SG CYS A 35 8.624 3.488 7.197 1.00 0.00 S ATOM 0 H CYS A 35 5.989 1.533 8.035 1.00 0.00 H new ATOM 0 HA CYS A 35 7.442 1.451 5.569 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.830 1.684 8.550 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.225 1.210 7.600 1.00 0.00 H new ATOM 545 N SER A 36 9.043 -0.663 6.216 1.00 0.00 N ATOM 546 CA SER A 36 9.595 -1.996 6.310 1.00 0.00 C ATOM 547 C SER A 36 10.355 -2.150 7.624 1.00 0.00 C ATOM 548 O SER A 36 10.083 -3.059 8.409 1.00 0.00 O ATOM 549 CB SER A 36 10.514 -2.278 5.124 1.00 0.00 C ATOM 550 OG SER A 36 9.762 -2.620 3.972 1.00 0.00 O ATOM 0 H SER A 36 9.705 0.052 5.914 1.00 0.00 H new ATOM 0 HA SER A 36 8.779 -2.719 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.126 -1.400 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.196 -3.091 5.373 1.00 0.00 H new ATOM 0 HG SER A 36 8.993 -2.018 3.893 1.00 0.00 H new ATOM 556 N SER A 37 11.309 -1.260 7.861 1.00 0.00 N ATOM 557 CA SER A 37 12.136 -1.339 9.055 1.00 0.00 C ATOM 558 C SER A 37 11.695 -0.337 10.126 1.00 0.00 C ATOM 559 O SER A 37 11.609 -0.682 11.305 1.00 0.00 O ATOM 560 CB SER A 37 13.600 -1.108 8.678 1.00 0.00 C ATOM 561 OG SER A 37 13.891 -1.674 7.409 1.00 0.00 O ATOM 0 H SER A 37 11.528 -0.478 7.244 1.00 0.00 H new ATOM 0 HA SER A 37 12.019 -2.335 9.482 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.811 -0.039 8.661 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.249 -1.549 9.435 1.00 0.00 H new ATOM 0 HG SER A 37 13.554 -1.084 6.703 1.00 0.00 H new ATOM 567 N CYS A 38 11.515 0.922 9.737 1.00 0.00 N ATOM 568 CA CYS A 38 11.188 1.978 10.693 1.00 0.00 C ATOM 569 C CYS A 38 9.792 1.800 11.294 1.00 0.00 C ATOM 570 O CYS A 38 9.551 2.175 12.445 1.00 0.00 O ATOM 571 CB CYS A 38 11.286 3.338 10.010 1.00 0.00 C ATOM 572 SG CYS A 38 12.291 3.334 8.489 1.00 0.00 S ATOM 0 H CYS A 38 11.590 1.236 8.770 1.00 0.00 H new ATOM 0 HA CYS A 38 11.907 1.917 11.510 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.281 3.685 9.768 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.711 4.056 10.712 1.00 0.00 H new ATOM 577 N GLN A 39 8.865 1.315 10.476 1.00 0.00 N ATOM 578 CA GLN A 39 7.461 1.182 10.865 1.00 0.00 C ATOM 579 C GLN A 39 6.866 2.546 11.195 1.00 0.00 C ATOM 580 O GLN A 39 6.194 2.714 12.213 1.00 0.00 O ATOM 581 CB GLN A 39 7.304 0.235 12.056 1.00 0.00 C ATOM 582 CG GLN A 39 7.086 -1.211 11.654 1.00 0.00 C ATOM 583 CD GLN A 39 5.625 -1.616 11.682 1.00 0.00 C ATOM 584 OE1 GLN A 39 4.741 -0.799 11.952 1.00 0.00 O ATOM 585 NE2 GLN A 39 5.360 -2.881 11.400 1.00 0.00 N ATOM 0 H GLN A 39 9.062 1.003 9.525 1.00 0.00 H new ATOM 0 HA GLN A 39 6.920 0.757 10.020 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.194 0.300 12.681 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.462 0.566 12.665 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.482 -1.368 10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.651 -1.859 12.325 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.120 -3.525 11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.395 -3.212 11.401 1.00 0.00 H new ATOM 594 N ALA A 40 7.128 3.522 10.338 1.00 0.00 N ATOM 595 CA ALA A 40 6.629 4.860 10.540 1.00 0.00 C ATOM 596 C ALA A 40 5.397 5.105 9.682 1.00 0.00 C ATOM 597 O ALA A 40 4.765 4.162 9.197 1.00 0.00 O ATOM 598 CB ALA A 40 7.717 5.870 10.222 1.00 0.00 C ATOM 0 H ALA A 40 7.687 3.404 9.493 1.00 0.00 H new ATOM 0 HA ALA A 40 6.340 4.976 11.585 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.334 6.879 10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.572 5.702 10.877 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.028 5.755 9.184 1.00 0.00 H new ATOM 604 N GLN A 41 5.076 6.368 9.479 1.00 0.00 N ATOM 605 CA GLN A 41 3.938 6.754 8.659 1.00 0.00 C ATOM 606 C GLN A 41 4.407 7.186 7.278 1.00 0.00 C ATOM 607 O GLN A 41 4.896 8.303 7.100 1.00 0.00 O ATOM 608 CB GLN A 41 3.152 7.882 9.329 1.00 0.00 C ATOM 609 CG GLN A 41 1.652 7.789 9.107 1.00 0.00 C ATOM 610 CD GLN A 41 0.971 6.863 10.096 1.00 0.00 C ATOM 611 OE1 GLN A 41 1.364 5.707 10.258 1.00 0.00 O ATOM 612 NE2 GLN A 41 -0.059 7.361 10.755 1.00 0.00 N ATOM 0 H GLN A 41 5.592 7.154 9.874 1.00 0.00 H new ATOM 0 HA GLN A 41 3.280 5.891 8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.354 7.869 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.509 8.839 8.949 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.215 8.784 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.460 7.436 8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.352 8.324 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.562 6.783 11.428 1.00 0.00 H new ATOM 621 N LEU A 42 4.289 6.280 6.315 1.00 0.00 N ATOM 622 CA LEU A 42 4.735 6.533 4.947 1.00 0.00 C ATOM 623 C LEU A 42 4.102 7.798 4.372 1.00 0.00 C ATOM 624 O LEU A 42 4.735 8.534 3.621 1.00 0.00 O ATOM 625 CB LEU A 42 4.398 5.335 4.055 1.00 0.00 C ATOM 626 CG LEU A 42 5.585 4.732 3.303 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.511 4.005 4.265 1.00 0.00 C ATOM 628 CD2 LEU A 42 5.103 3.788 2.212 1.00 0.00 C ATOM 0 H LEU A 42 3.884 5.354 6.457 1.00 0.00 H new ATOM 0 HA LEU A 42 5.815 6.679 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.946 4.558 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.646 5.643 3.328 1.00 0.00 H new ATOM 0 HG LEU A 42 6.142 5.543 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.350 3.582 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.884 4.707 5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.963 3.204 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.962 3.369 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.522 2.982 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.479 4.336 1.506 1.00 0.00 H new ATOM 640 N GLY A 43 2.849 8.048 4.730 1.00 0.00 N ATOM 641 CA GLY A 43 2.146 9.208 4.214 1.00 0.00 C ATOM 642 C GLY A 43 2.448 10.489 4.973 1.00 0.00 C ATOM 643 O GLY A 43 1.901 11.545 4.656 1.00 0.00 O ATOM 0 H GLY A 43 2.306 7.468 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.410 9.346 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.073 9.018 4.250 1.00 0.00 H new ATOM 647 N ASP A 44 3.311 10.411 5.978 1.00 0.00 N ATOM 648 CA ASP A 44 3.653 11.592 6.768 1.00 0.00 C ATOM 649 C ASP A 44 5.062 12.085 6.452 1.00 0.00 C ATOM 650 O ASP A 44 5.400 13.242 6.708 1.00 0.00 O ATOM 651 CB ASP A 44 3.532 11.300 8.263 1.00 0.00 C ATOM 652 CG ASP A 44 3.595 12.561 9.103 1.00 0.00 C ATOM 653 OD1 ASP A 44 2.789 13.485 8.860 1.00 0.00 O ATOM 654 OD2 ASP A 44 4.448 12.633 10.016 1.00 0.00 O ATOM 0 H ASP A 44 3.783 9.554 6.265 1.00 0.00 H new ATOM 0 HA ASP A 44 2.945 12.376 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.591 10.785 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.333 10.625 8.565 1.00 0.00 H new ATOM 659 N ILE A 45 5.878 11.214 5.874 1.00 0.00 N ATOM 660 CA ILE A 45 7.246 11.575 5.511 1.00 0.00 C ATOM 661 C ILE A 45 7.282 12.258 4.149 1.00 0.00 C ATOM 662 O ILE A 45 8.349 12.590 3.630 1.00 0.00 O ATOM 663 CB ILE A 45 8.171 10.339 5.484 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.844 9.444 4.282 1.00 0.00 C ATOM 665 CG2 ILE A 45 8.045 9.561 6.785 1.00 0.00 C ATOM 666 CD1 ILE A 45 9.070 8.953 3.542 1.00 0.00 C ATOM 0 H ILE A 45 5.619 10.254 5.646 1.00 0.00 H new ATOM 0 HA ILE A 45 7.607 12.265 6.274 1.00 0.00 H new ATOM 0 HB ILE A 45 9.202 10.678 5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.268 8.584 4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.209 9.997 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.702 8.692 6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.329 10.201 7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.014 9.232 6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.763 8.326 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.635 9.807 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.696 8.372 4.220 1.00 0.00 H new ATOM 677 N GLY A 46 6.113 12.386 3.545 1.00 0.00 N ATOM 678 CA GLY A 46 6.016 12.916 2.206 1.00 0.00 C ATOM 679 C GLY A 46 5.352 11.914 1.297 1.00 0.00 C ATOM 680 O GLY A 46 5.010 10.819 1.740 1.00 0.00 O ATOM 0 H GLY A 46 5.220 12.128 3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.445 13.844 2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.010 13.157 1.829 1.00 0.00 H new ATOM 684 N THR A 47 5.162 12.253 0.037 1.00 0.00 N ATOM 685 CA THR A 47 4.544 11.310 -0.871 1.00 0.00 C ATOM 686 C THR A 47 5.612 10.516 -1.616 1.00 0.00 C ATOM 687 O THR A 47 6.106 10.947 -2.657 1.00 0.00 O ATOM 688 CB THR A 47 3.655 12.053 -1.883 1.00 0.00 C ATOM 689 OG1 THR A 47 3.758 13.471 -1.666 1.00 0.00 O ATOM 690 CG2 THR A 47 2.201 11.624 -1.751 1.00 0.00 C ATOM 0 H THR A 47 5.419 13.151 -0.373 1.00 0.00 H new ATOM 0 HA THR A 47 3.929 10.623 -0.290 1.00 0.00 H new ATOM 0 HB THR A 47 3.998 11.805 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.192 13.943 -2.313 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.595 12.165 -2.478 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.120 10.553 -1.935 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.846 11.847 -0.745 1.00 0.00 H new ATOM 698 N SER A 48 5.872 9.306 -1.138 1.00 0.00 N ATOM 699 CA SER A 48 6.817 8.401 -1.776 1.00 0.00 C ATOM 700 C SER A 48 6.605 6.980 -1.268 1.00 0.00 C ATOM 701 O SER A 48 6.243 6.778 -0.112 1.00 0.00 O ATOM 702 CB SER A 48 8.262 8.847 -1.510 1.00 0.00 C ATOM 703 OG SER A 48 8.739 9.697 -2.542 1.00 0.00 O ATOM 0 H SER A 48 5.434 8.926 -0.299 1.00 0.00 H new ATOM 0 HA SER A 48 6.643 8.424 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.314 9.368 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.906 7.971 -1.431 1.00 0.00 H new ATOM 0 HG SER A 48 8.405 9.380 -3.407 1.00 0.00 H new ATOM 709 N SER A 49 6.856 6.001 -2.121 1.00 0.00 N ATOM 710 CA SER A 49 6.711 4.605 -1.743 1.00 0.00 C ATOM 711 C SER A 49 7.546 3.722 -2.653 1.00 0.00 C ATOM 712 O SER A 49 7.509 3.870 -3.873 1.00 0.00 O ATOM 713 CB SER A 49 5.242 4.190 -1.823 1.00 0.00 C ATOM 714 OG SER A 49 4.510 5.092 -2.635 1.00 0.00 O ATOM 0 H SER A 49 7.162 6.148 -3.083 1.00 0.00 H new ATOM 0 HA SER A 49 7.061 4.484 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.165 3.182 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.812 4.163 -0.822 1.00 0.00 H new ATOM 0 HG SER A 49 3.597 4.758 -2.754 1.00 0.00 H new ATOM 720 N TYR A 50 8.323 2.836 -2.064 1.00 0.00 N ATOM 721 CA TYR A 50 9.167 1.943 -2.833 1.00 0.00 C ATOM 722 C TYR A 50 8.722 0.501 -2.646 1.00 0.00 C ATOM 723 O TYR A 50 8.535 0.037 -1.522 1.00 0.00 O ATOM 724 CB TYR A 50 10.627 2.113 -2.431 1.00 0.00 C ATOM 725 CG TYR A 50 11.272 3.350 -3.013 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.531 3.446 -4.375 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.628 4.416 -2.200 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.129 4.574 -4.910 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.223 5.547 -2.725 1.00 0.00 C ATOM 730 CZ TYR A 50 12.474 5.622 -4.080 1.00 0.00 C ATOM 731 OH TYR A 50 13.078 6.747 -4.601 1.00 0.00 O ATOM 0 H TYR A 50 8.388 2.715 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 50 9.071 2.197 -3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.694 2.155 -1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.188 1.235 -2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.261 2.628 -5.026 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.437 4.361 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.325 4.634 -5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.491 6.369 -2.078 1.00 0.00 H new ATOM 0 HH TYR A 50 12.874 6.815 -5.557 1.00 0.00 H new ATOM 741 N THR A 51 8.500 -0.176 -3.754 1.00 0.00 N ATOM 742 CA THR A 51 8.040 -1.548 -3.743 1.00 0.00 C ATOM 743 C THR A 51 9.074 -2.467 -4.376 1.00 0.00 C ATOM 744 O THR A 51 9.287 -2.440 -5.592 1.00 0.00 O ATOM 745 CB THR A 51 6.712 -1.687 -4.502 1.00 0.00 C ATOM 746 OG1 THR A 51 5.896 -0.535 -4.259 1.00 0.00 O ATOM 747 CG2 THR A 51 5.970 -2.945 -4.078 1.00 0.00 C ATOM 0 H THR A 51 8.634 0.211 -4.688 1.00 0.00 H new ATOM 0 HA THR A 51 7.889 -1.835 -2.702 1.00 0.00 H new ATOM 0 HB THR A 51 6.930 -1.763 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.050 -0.625 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.033 -3.019 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.586 -3.819 -4.289 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.758 -2.900 -3.010 1.00 0.00 H new ATOM 755 N LYS A 52 9.711 -3.276 -3.549 1.00 0.00 N ATOM 756 CA LYS A 52 10.698 -4.234 -4.012 1.00 0.00 C ATOM 757 C LYS A 52 10.722 -5.419 -3.066 1.00 0.00 C ATOM 758 O LYS A 52 10.428 -5.262 -1.882 1.00 0.00 O ATOM 759 CB LYS A 52 12.082 -3.587 -4.098 1.00 0.00 C ATOM 760 CG LYS A 52 12.583 -3.414 -5.522 1.00 0.00 C ATOM 761 CD LYS A 52 13.125 -2.013 -5.759 1.00 0.00 C ATOM 762 CE LYS A 52 13.682 -1.860 -7.166 1.00 0.00 C ATOM 763 NZ LYS A 52 13.568 -0.462 -7.666 1.00 0.00 N ATOM 0 H LYS A 52 9.559 -3.288 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 52 10.427 -4.574 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.049 -2.612 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.794 -4.197 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.365 -4.146 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.771 -3.613 -6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.331 -1.283 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.907 -1.797 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.729 -2.164 -7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.150 -2.530 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.865 -0.424 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.581 -0.144 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.179 0.160 -7.099 1.00 0.00 H new ATOM 777 N SER A 53 10.937 -6.612 -3.616 1.00 0.00 N ATOM 778 CA SER A 53 10.895 -7.851 -2.838 1.00 0.00 C ATOM 779 C SER A 53 9.485 -8.116 -2.309 1.00 0.00 C ATOM 780 O SER A 53 9.306 -8.819 -1.312 1.00 0.00 O ATOM 781 CB SER A 53 11.882 -7.783 -1.667 1.00 0.00 C ATOM 782 OG SER A 53 13.156 -7.321 -2.093 1.00 0.00 O ATOM 0 H SER A 53 11.144 -6.748 -4.605 1.00 0.00 H new ATOM 0 HA SER A 53 11.180 -8.670 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.491 -7.119 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.983 -8.770 -1.216 1.00 0.00 H new ATOM 0 HG SER A 53 13.765 -7.286 -1.326 1.00 0.00 H new ATOM 788 N GLY A 54 8.492 -7.484 -2.930 1.00 0.00 N ATOM 789 CA GLY A 54 7.130 -7.588 -2.446 1.00 0.00 C ATOM 790 C GLY A 54 6.932 -6.806 -1.163 1.00 0.00 C ATOM 791 O GLY A 54 5.948 -7.003 -0.449 1.00 0.00 O ATOM 0 H GLY A 54 8.609 -6.902 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.444 -7.218 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.883 -8.636 -2.276 1.00 0.00 H new ATOM 795 N MET A 55 7.893 -5.947 -0.856 1.00 0.00 N ATOM 796 CA MET A 55 7.858 -5.153 0.361 1.00 0.00 C ATOM 797 C MET A 55 7.474 -3.716 0.053 1.00 0.00 C ATOM 798 O MET A 55 7.597 -3.259 -1.084 1.00 0.00 O ATOM 799 CB MET A 55 9.224 -5.164 1.049 1.00 0.00 C ATOM 800 CG MET A 55 9.493 -6.398 1.891 1.00 0.00 C ATOM 801 SD MET A 55 10.971 -6.225 2.909 1.00 0.00 S ATOM 802 CE MET A 55 12.220 -5.967 1.647 1.00 0.00 C ATOM 0 H MET A 55 8.713 -5.782 -1.440 1.00 0.00 H new ATOM 0 HA MET A 55 7.113 -5.593 1.023 1.00 0.00 H new ATOM 0 HB2 MET A 55 10.001 -5.082 0.289 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.305 -4.282 1.684 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.633 -6.591 2.533 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.604 -7.263 1.238 1.00 0.00 H new ATOM 0 HE1 MET A 55 13.188 -5.807 2.121 1.00 0.00 H new ATOM 0 HE2 MET A 55 12.272 -6.844 1.002 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.959 -5.093 1.050 1.00 0.00 H new ATOM 812 N ILE A 56 7.117 -2.988 1.094 1.00 0.00 N ATOM 813 CA ILE A 56 6.808 -1.569 0.980 1.00 0.00 C ATOM 814 C ILE A 56 7.762 -0.766 1.848 1.00 0.00 C ATOM 815 O ILE A 56 7.859 -0.994 3.055 1.00 0.00 O ATOM 816 CB ILE A 56 5.353 -1.259 1.396 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.370 -1.949 0.449 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.108 0.243 1.416 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.662 -3.130 1.074 1.00 0.00 C ATOM 0 H ILE A 56 7.032 -3.359 2.041 1.00 0.00 H new ATOM 0 HA ILE A 56 6.924 -1.290 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 56 5.194 -1.644 2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.627 -1.224 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.907 -2.285 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.077 0.440 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.786 0.713 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.285 0.654 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.980 -3.572 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.397 -3.874 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.098 -2.797 1.945 1.00 0.00 H new ATOM 830 N LEU A 57 8.554 0.077 1.214 1.00 0.00 N ATOM 831 CA LEU A 57 9.589 0.813 1.911 1.00 0.00 C ATOM 832 C LEU A 57 9.451 2.311 1.690 1.00 0.00 C ATOM 833 O LEU A 57 9.086 2.760 0.601 1.00 0.00 O ATOM 834 CB LEU A 57 10.971 0.358 1.431 1.00 0.00 C ATOM 835 CG LEU A 57 11.216 -1.150 1.471 1.00 0.00 C ATOM 836 CD1 LEU A 57 11.313 -1.713 0.064 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.478 -1.455 2.257 1.00 0.00 C ATOM 0 H LEU A 57 8.499 0.269 0.214 1.00 0.00 H new ATOM 0 HA LEU A 57 9.479 0.609 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.114 0.705 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.729 0.848 2.042 1.00 0.00 H new ATOM 0 HG LEU A 57 10.372 -1.626 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.488 -2.788 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.382 -1.521 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.139 -1.235 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.642 -2.532 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.329 -0.968 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.370 -1.084 3.276 1.00 0.00 H new ATOM 849 N CYS A 58 9.888 3.071 2.683 1.00 0.00 N ATOM 850 CA CYS A 58 10.002 4.509 2.554 1.00 0.00 C ATOM 851 C CYS A 58 11.289 4.841 1.799 1.00 0.00 C ATOM 852 O CYS A 58 12.008 3.940 1.360 1.00 0.00 O ATOM 853 CB CYS A 58 10.010 5.167 3.937 1.00 0.00 C ATOM 854 SG CYS A 58 11.493 4.808 4.934 1.00 0.00 S ATOM 0 H CYS A 58 10.171 2.708 3.593 1.00 0.00 H new ATOM 0 HA CYS A 58 9.146 4.894 1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.923 6.246 3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.129 4.838 4.488 1.00 0.00 H new ATOM 859 N ARG A 59 11.614 6.119 1.709 1.00 0.00 N ATOM 860 CA ARG A 59 12.846 6.539 1.057 1.00 0.00 C ATOM 861 C ARG A 59 14.069 6.089 1.858 1.00 0.00 C ATOM 862 O ARG A 59 15.017 5.540 1.301 1.00 0.00 O ATOM 863 CB ARG A 59 12.863 8.055 0.876 1.00 0.00 C ATOM 864 CG ARG A 59 13.855 8.521 -0.173 1.00 0.00 C ATOM 865 CD ARG A 59 13.166 8.885 -1.478 1.00 0.00 C ATOM 866 NE ARG A 59 13.724 10.101 -2.057 1.00 0.00 N ATOM 867 CZ ARG A 59 14.759 10.118 -2.902 1.00 0.00 C ATOM 868 NH1 ARG A 59 15.240 8.977 -3.393 1.00 0.00 N ATOM 869 NH2 ARG A 59 15.279 11.278 -3.287 1.00 0.00 N ATOM 0 H ARG A 59 11.046 6.882 2.077 1.00 0.00 H new ATOM 0 HA ARG A 59 12.887 6.067 0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.865 8.392 0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.104 8.525 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.402 9.386 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.588 7.735 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.269 8.063 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.099 9.021 -1.301 1.00 0.00 H new ATOM 0 HE ARG A 59 13.299 10.992 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.818 8.088 -3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.030 8.992 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.888 12.153 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.069 11.294 -3.932 1.00 0.00 H new ATOM 883 N ASN A 60 14.017 6.282 3.171 1.00 0.00 N ATOM 884 CA ASN A 60 15.109 5.878 4.056 1.00 0.00 C ATOM 885 C ASN A 60 15.247 4.359 4.090 1.00 0.00 C ATOM 886 O ASN A 60 16.352 3.825 3.970 1.00 0.00 O ATOM 887 CB ASN A 60 14.871 6.413 5.472 1.00 0.00 C ATOM 888 CG ASN A 60 15.752 5.739 6.508 1.00 0.00 C ATOM 889 OD1 ASN A 60 16.975 5.882 6.487 1.00 0.00 O ATOM 890 ND2 ASN A 60 15.135 5.002 7.420 1.00 0.00 N ATOM 0 H ASN A 60 13.228 6.717 3.650 1.00 0.00 H new ATOM 0 HA ASN A 60 16.035 6.301 3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.057 7.487 5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.825 6.267 5.740 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.676 4.526 8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.119 4.911 7.400 1.00 0.00 H new ATOM 897 N ASP A 61 14.110 3.674 4.192 1.00 0.00 N ATOM 898 CA ASP A 61 14.073 2.213 4.183 1.00 0.00 C ATOM 899 C ASP A 61 14.735 1.682 2.922 1.00 0.00 C ATOM 900 O ASP A 61 15.499 0.716 2.957 1.00 0.00 O ATOM 901 CB ASP A 61 12.629 1.720 4.211 1.00 0.00 C ATOM 902 CG ASP A 61 12.143 1.289 5.576 1.00 0.00 C ATOM 903 OD1 ASP A 61 12.844 0.491 6.239 1.00 0.00 O ATOM 904 OD2 ASP A 61 11.013 1.675 5.952 1.00 0.00 O ATOM 0 H ASP A 61 13.194 4.113 4.283 1.00 0.00 H new ATOM 0 HA ASP A 61 14.604 1.855 5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.980 2.514 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.531 0.881 3.522 1.00 0.00 H new ATOM 909 N TYR A 62 14.410 2.323 1.806 1.00 0.00 N ATOM 910 CA TYR A 62 14.930 1.932 0.506 1.00 0.00 C ATOM 911 C TYR A 62 16.448 2.017 0.470 1.00 0.00 C ATOM 912 O TYR A 62 17.113 1.082 0.033 1.00 0.00 O ATOM 913 CB TYR A 62 14.342 2.830 -0.576 1.00 0.00 C ATOM 914 CG TYR A 62 14.548 2.305 -1.972 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.014 1.085 -2.358 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.267 3.034 -2.910 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.192 0.603 -3.637 1.00 0.00 C ATOM 918 CE2 TYR A 62 15.450 2.558 -4.193 1.00 0.00 C ATOM 919 CZ TYR A 62 14.908 1.344 -4.551 1.00 0.00 C ATOM 920 OH TYR A 62 15.082 0.865 -5.827 1.00 0.00 O ATOM 0 H TYR A 62 13.781 3.125 1.779 1.00 0.00 H new ATOM 0 HA TYR A 62 14.642 0.897 0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.274 2.950 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.792 3.820 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.449 0.503 -1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.690 3.988 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.772 -0.351 -3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.015 3.134 -4.911 1.00 0.00 H new ATOM 0 HH TYR A 62 15.609 1.506 -6.348 1.00 0.00 H new ATOM 930 N ILE A 63 16.985 3.140 0.935 1.00 0.00 N ATOM 931 CA ILE A 63 18.429 3.361 0.946 1.00 0.00 C ATOM 932 C ILE A 63 19.137 2.334 1.834 1.00 0.00 C ATOM 933 O ILE A 63 20.287 1.965 1.586 1.00 0.00 O ATOM 934 CB ILE A 63 18.770 4.791 1.430 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.031 5.841 0.590 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.271 5.039 1.387 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.391 5.814 -0.881 1.00 0.00 C ATOM 0 H ILE A 63 16.440 3.916 1.311 1.00 0.00 H new ATOM 0 HA ILE A 63 18.783 3.243 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 63 18.439 4.880 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.957 5.685 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.250 6.831 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.483 6.051 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.777 4.322 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.630 4.922 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.828 6.585 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.459 6.001 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.146 4.837 -1.298 1.00 0.00 H new ATOM 948 N ARG A 64 18.439 1.853 2.848 1.00 0.00 N ATOM 949 CA ARG A 64 19.000 0.865 3.759 1.00 0.00 C ATOM 950 C ARG A 64 18.958 -0.536 3.153 1.00 0.00 C ATOM 951 O ARG A 64 19.880 -1.330 3.338 1.00 0.00 O ATOM 952 CB ARG A 64 18.252 0.890 5.090 1.00 0.00 C ATOM 953 CG ARG A 64 18.623 2.077 5.961 1.00 0.00 C ATOM 954 CD ARG A 64 17.845 2.085 7.263 1.00 0.00 C ATOM 955 NE ARG A 64 17.916 3.388 7.922 1.00 0.00 N ATOM 956 CZ ARG A 64 17.581 3.604 9.191 1.00 0.00 C ATOM 957 NH1 ARG A 64 17.103 2.618 9.939 1.00 0.00 N ATOM 958 NH2 ARG A 64 17.710 4.821 9.708 1.00 0.00 N ATOM 0 H ARG A 64 17.481 2.130 3.063 1.00 0.00 H new ATOM 0 HA ARG A 64 20.045 1.123 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 64 17.179 0.910 4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 64 18.460 -0.031 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 64 19.691 2.050 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.430 3.002 5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.803 1.832 7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 64 18.240 1.318 7.929 1.00 0.00 H new ATOM 0 HE ARG A 64 18.244 4.183 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.990 1.685 9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.849 2.793 10.911 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.065 5.585 9.132 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.454 4.992 10.681 1.00 0.00 H new ATOM 972 N LEU A 65 17.882 -0.842 2.442 1.00 0.00 N ATOM 973 CA LEU A 65 17.712 -2.165 1.852 1.00 0.00 C ATOM 974 C LEU A 65 18.410 -2.277 0.495 1.00 0.00 C ATOM 975 O LEU A 65 19.265 -3.138 0.299 1.00 0.00 O ATOM 976 CB LEU A 65 16.224 -2.492 1.694 1.00 0.00 C ATOM 977 CG LEU A 65 15.710 -3.660 2.544 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.612 -4.877 2.394 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.607 -3.247 4.003 1.00 0.00 C ATOM 0 H LEU A 65 17.115 -0.195 2.259 1.00 0.00 H new ATOM 0 HA LEU A 65 18.174 -2.883 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.646 -1.602 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.029 -2.715 0.645 1.00 0.00 H new ATOM 0 HG LEU A 65 14.716 -3.931 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 65 16.227 -5.693 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.634 -5.187 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.621 -4.624 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.241 -4.087 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 65 16.590 -2.949 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.916 -2.409 4.096 1.00 0.00 H new ATOM 991 N PHE A 66 17.998 -1.446 -0.453 1.00 0.00 N ATOM 992 CA PHE A 66 18.522 -1.507 -1.817 1.00 0.00 C ATOM 993 C PHE A 66 19.190 -0.191 -2.195 1.00 0.00 C ATOM 994 O PHE A 66 19.001 0.322 -3.298 1.00 0.00 O ATOM 995 CB PHE A 66 17.399 -1.825 -2.813 1.00 0.00 C ATOM 996 CG PHE A 66 16.374 -2.791 -2.284 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.646 -4.149 -2.230 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.143 -2.340 -1.838 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.710 -5.037 -1.738 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.204 -3.225 -1.345 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.487 -4.574 -1.296 1.00 0.00 C ATOM 0 H PHE A 66 17.300 -0.718 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 66 19.265 -2.303 -1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.900 -0.897 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.838 -2.237 -3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 66 17.601 -4.517 -2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.915 -1.285 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.935 -6.093 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.248 -2.861 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.753 -5.267 -0.912 1.00 0.00 H new ATOM 1011 N GLY A 67 19.912 0.386 -1.249 1.00 0.00 N ATOM 1012 CA GLY A 67 20.542 1.671 -1.477 1.00 0.00 C ATOM 1013 C GLY A 67 21.846 1.559 -2.242 1.00 0.00 C ATOM 1014 O GLY A 67 22.916 1.838 -1.700 1.00 0.00 O ATOM 0 H GLY A 67 20.074 -0.013 -0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.856 2.314 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.729 2.154 -0.518 1.00 0.00 H new ATOM 1018 N ASN A 68 21.748 1.205 -3.515 1.00 0.00 N ATOM 1019 CA ASN A 68 22.913 1.142 -4.390 1.00 0.00 C ATOM 1020 C ASN A 68 23.485 2.545 -4.589 1.00 0.00 C ATOM 1021 O ASN A 68 22.732 3.513 -4.677 1.00 0.00 O ATOM 1022 CB ASN A 68 22.519 0.515 -5.738 1.00 0.00 C ATOM 1023 CG ASN A 68 23.380 0.979 -6.901 1.00 0.00 C ATOM 1024 OD1 ASN A 68 24.587 0.739 -6.934 1.00 0.00 O ATOM 1025 ND2 ASN A 68 22.759 1.630 -7.870 1.00 0.00 N ATOM 0 H ASN A 68 20.869 0.955 -3.968 1.00 0.00 H new ATOM 0 HA ASN A 68 23.680 0.518 -3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 68 22.586 -0.570 -5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.477 0.755 -5.950 1.00 0.00 H new ATOM 0 HD21 ASN A 68 23.282 1.954 -8.684 1.00 0.00 H new ATOM 0 HD22 ASN A 68 21.757 1.808 -7.804 1.00 0.00 H new ATOM 1032 N SER A 69 24.805 2.666 -4.538 1.00 0.00 N ATOM 1033 CA SER A 69 25.457 3.966 -4.627 1.00 0.00 C ATOM 1034 C SER A 69 25.204 4.629 -5.983 1.00 0.00 C ATOM 1035 O SER A 69 25.898 4.354 -6.966 1.00 0.00 O ATOM 1036 CB SER A 69 26.958 3.809 -4.384 1.00 0.00 C ATOM 1037 OG SER A 69 27.224 2.646 -3.615 1.00 0.00 O ATOM 0 H SER A 69 25.446 1.879 -4.435 1.00 0.00 H new ATOM 0 HA SER A 69 25.032 4.613 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 69 27.481 3.747 -5.338 1.00 0.00 H new ATOM 0 HB3 SER A 69 27.341 4.688 -3.867 1.00 0.00 H new ATOM 0 HG SER A 69 28.190 2.562 -3.472 1.00 0.00 H new ATOM 1043 N GLY A 70 24.225 5.522 -6.015 1.00 0.00 N ATOM 1044 CA GLY A 70 23.912 6.247 -7.225 1.00 0.00 C ATOM 1045 C GLY A 70 24.103 7.736 -7.042 1.00 0.00 C ATOM 1046 O GLY A 70 23.254 8.538 -7.441 1.00 0.00 O ATOM 0 H GLY A 70 23.638 5.757 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 70 24.548 5.894 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 70 22.881 6.044 -7.516 1.00 0.00 H new ATOM 1050 N ALA A 71 25.208 8.101 -6.407 1.00 0.00 N ATOM 1051 CA ALA A 71 25.526 9.495 -6.146 1.00 0.00 C ATOM 1052 C ALA A 71 26.973 9.788 -6.519 1.00 0.00 C ATOM 1053 O ALA A 71 27.901 9.354 -5.834 1.00 0.00 O ATOM 1054 CB ALA A 71 25.275 9.827 -4.683 1.00 0.00 C ATOM 0 H ALA A 71 25.905 7.442 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 71 24.879 10.122 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 71 25.517 10.874 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 71 24.226 9.650 -4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.902 9.195 -4.054 1.00 0.00 H new ATOM 1060 N GLY A 72 27.162 10.463 -7.641 1.00 0.00 N ATOM 1061 CA GLY A 72 28.500 10.755 -8.116 1.00 0.00 C ATOM 1062 C GLY A 72 28.607 10.591 -9.613 1.00 0.00 C ATOM 1063 O GLY A 72 29.262 11.382 -10.292 1.00 0.00 O ATOM 0 H GLY A 72 26.411 10.816 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 72 28.770 11.775 -7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 72 29.213 10.093 -7.625 1.00 0.00 H new ATOM 1067 N GLY A 73 27.905 9.599 -10.135 1.00 0.00 N ATOM 1068 CA GLY A 73 27.858 9.388 -11.566 1.00 0.00 C ATOM 1069 C GLY A 73 26.477 9.677 -12.109 1.00 0.00 C ATOM 1070 O GLY A 73 26.046 9.085 -13.100 1.00 0.00 O ATOM 0 H GLY A 73 27.362 8.931 -9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 73 28.588 10.032 -12.057 1.00 0.00 H new ATOM 0 HA3 GLY A 73 28.135 8.359 -11.795 1.00 0.00 H new ATOM 1074 N SER A 74 25.753 10.522 -11.393 1.00 0.00 N ATOM 1075 CA SER A 74 24.377 10.836 -11.726 1.00 0.00 C ATOM 1076 C SER A 74 24.248 12.286 -12.175 1.00 0.00 C ATOM 1077 O SER A 74 24.245 13.205 -11.352 1.00 0.00 O ATOM 1078 CB SER A 74 23.496 10.577 -10.503 1.00 0.00 C ATOM 1079 OG SER A 74 24.281 10.124 -9.408 1.00 0.00 O ATOM 0 H SER A 74 26.103 11.007 -10.567 1.00 0.00 H new ATOM 0 HA SER A 74 24.054 10.201 -12.551 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.970 11.491 -10.227 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.737 9.833 -10.746 1.00 0.00 H new ATOM 0 HG SER A 74 23.733 9.558 -8.825 1.00 0.00 H new ATOM 1085 N GLY A 75 24.179 12.486 -13.482 1.00 0.00 N ATOM 1086 CA GLY A 75 24.049 13.825 -14.017 1.00 0.00 C ATOM 1087 C GLY A 75 22.632 14.334 -13.892 1.00 0.00 C ATOM 1088 O GLY A 75 22.401 15.478 -13.498 1.00 0.00 O ATOM 0 H GLY A 75 24.211 11.745 -14.182 1.00 0.00 H new ATOM 0 HA2 GLY A 75 24.726 14.497 -13.489 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.348 13.830 -15.065 1.00 0.00 H new ATOM 1092 N GLY A 76 21.683 13.454 -14.159 1.00 0.00 N ATOM 1093 CA GLY A 76 20.287 13.796 -14.008 1.00 0.00 C ATOM 1094 C GLY A 76 19.640 13.029 -12.877 1.00 0.00 C ATOM 1095 O GLY A 76 20.144 13.037 -11.751 1.00 0.00 O ATOM 0 H GLY A 76 21.856 12.502 -14.480 1.00 0.00 H new ATOM 0 HA2 GLY A 76 20.193 14.866 -13.822 1.00 0.00 H new ATOM 0 HA3 GLY A 76 19.759 13.586 -14.938 1.00 0.00 H new ATOM 1099 N HIS A 77 18.559 12.321 -13.196 1.00 0.00 N ATOM 1100 CA HIS A 77 17.852 11.487 -12.224 1.00 0.00 C ATOM 1101 C HIS A 77 17.421 12.294 -11.001 1.00 0.00 C ATOM 1102 O HIS A 77 17.559 11.846 -9.862 1.00 0.00 O ATOM 1103 CB HIS A 77 18.728 10.307 -11.790 1.00 0.00 C ATOM 1104 CG HIS A 77 17.987 9.012 -11.698 1.00 0.00 C ATOM 1105 ND1 HIS A 77 18.264 8.055 -10.752 1.00 0.00 N ATOM 1106 CD2 HIS A 77 16.975 8.516 -12.445 1.00 0.00 C ATOM 1107 CE1 HIS A 77 17.459 7.026 -10.921 1.00 0.00 C ATOM 1108 NE2 HIS A 77 16.666 7.278 -11.942 1.00 0.00 N ATOM 0 H HIS A 77 18.149 12.308 -14.130 1.00 0.00 H new ATOM 0 HA HIS A 77 16.955 11.106 -12.711 1.00 0.00 H new ATOM 0 HB2 HIS A 77 19.550 10.196 -12.498 1.00 0.00 H new ATOM 0 HB3 HIS A 77 19.171 10.532 -10.820 1.00 0.00 H new ATOM 0 HD2 HIS A 77 16.498 9.004 -13.282 1.00 0.00 H new ATOM 0 HE1 HIS A 77 17.451 6.127 -10.323 1.00 0.00 H new ATOM 0 HE2 HIS A 77 15.942 6.655 -12.300 1.00 0.00 H new ATOM 1117 N MET A 78 16.877 13.477 -11.244 1.00 0.00 N ATOM 1118 CA MET A 78 16.405 14.328 -10.165 1.00 0.00 C ATOM 1119 C MET A 78 14.922 14.629 -10.330 1.00 0.00 C ATOM 1120 O MET A 78 14.325 14.331 -11.368 1.00 0.00 O ATOM 1121 CB MET A 78 17.208 15.627 -10.115 1.00 0.00 C ATOM 1122 CG MET A 78 17.870 15.880 -8.771 1.00 0.00 C ATOM 1123 SD MET A 78 16.690 15.926 -7.405 1.00 0.00 S ATOM 1124 CE MET A 78 17.101 14.414 -6.535 1.00 0.00 C ATOM 0 H MET A 78 16.752 13.868 -12.178 1.00 0.00 H new ATOM 0 HA MET A 78 16.547 13.797 -9.224 1.00 0.00 H new ATOM 0 HB2 MET A 78 17.975 15.601 -10.889 1.00 0.00 H new ATOM 0 HB3 MET A 78 16.548 16.462 -10.349 1.00 0.00 H new ATOM 0 HG2 MET A 78 18.607 15.099 -8.582 1.00 0.00 H new ATOM 0 HG3 MET A 78 18.410 16.826 -8.810 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.441 14.298 -5.676 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.977 13.563 -7.205 1.00 0.00 H new ATOM 0 HE3 MET A 78 18.135 14.460 -6.194 1.00 0.00 H new ATOM 1134 N GLY A 79 14.318 15.164 -9.281 1.00 0.00 N ATOM 1135 CA GLY A 79 12.896 15.438 -9.302 1.00 0.00 C ATOM 1136 C GLY A 79 12.115 14.358 -8.589 1.00 0.00 C ATOM 1137 O GLY A 79 11.049 14.612 -8.030 1.00 0.00 O ATOM 0 H GLY A 79 14.789 15.415 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.703 16.401 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.554 15.515 -10.334 1.00 0.00 H new ATOM 1141 N SER A 80 12.687 13.162 -8.558 1.00 0.00 N ATOM 1142 CA SER A 80 12.095 12.043 -7.850 1.00 0.00 C ATOM 1143 C SER A 80 12.250 12.225 -6.344 1.00 0.00 C ATOM 1144 O SER A 80 13.135 12.953 -5.885 1.00 0.00 O ATOM 1145 CB SER A 80 12.762 10.746 -8.302 1.00 0.00 C ATOM 1146 OG SER A 80 13.637 10.987 -9.398 1.00 0.00 O ATOM 0 H SER A 80 13.569 12.944 -9.021 1.00 0.00 H new ATOM 0 HA SER A 80 11.030 11.996 -8.079 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.320 10.310 -7.473 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.001 10.021 -8.590 1.00 0.00 H new ATOM 0 HG SER A 80 14.276 10.248 -9.475 1.00 0.00 H new ATOM 1152 N GLY A 81 11.350 11.620 -5.588 1.00 0.00 N ATOM 1153 CA GLY A 81 11.346 11.800 -4.157 1.00 0.00 C ATOM 1154 C GLY A 81 10.340 12.849 -3.741 1.00 0.00 C ATOM 1155 O GLY A 81 10.657 14.036 -3.685 1.00 0.00 O ATOM 0 H GLY A 81 10.619 11.004 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.111 10.854 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.341 12.093 -3.822 1.00 0.00 H new ATOM 1159 N GLY A 82 9.114 12.418 -3.485 1.00 0.00 N ATOM 1160 CA GLY A 82 8.069 13.341 -3.083 1.00 0.00 C ATOM 1161 C GLY A 82 8.074 13.556 -1.590 1.00 0.00 C ATOM 1162 O GLY A 82 7.218 14.257 -1.042 1.00 0.00 O ATOM 0 H GLY A 82 8.822 11.443 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.208 14.295 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.099 12.953 -3.394 1.00 0.00 H new ATOM 1166 N ASP A 83 9.055 12.946 -0.945 1.00 0.00 N ATOM 1167 CA ASP A 83 9.237 13.037 0.492 1.00 0.00 C ATOM 1168 C ASP A 83 9.635 14.446 0.909 1.00 0.00 C ATOM 1169 O ASP A 83 10.066 15.259 0.087 1.00 0.00 O ATOM 1170 CB ASP A 83 10.323 12.048 0.937 1.00 0.00 C ATOM 1171 CG ASP A 83 11.707 12.436 0.438 1.00 0.00 C ATOM 1172 OD1 ASP A 83 12.361 13.287 1.083 1.00 0.00 O ATOM 1173 OD2 ASP A 83 12.143 11.894 -0.601 1.00 0.00 O ATOM 0 H ASP A 83 9.754 12.368 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 83 8.289 12.792 0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.335 11.993 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.075 11.052 0.570 1.00 0.00 H new ATOM 1178 N VAL A 84 9.582 14.685 2.208 1.00 0.00 N ATOM 1179 CA VAL A 84 10.047 15.938 2.778 1.00 0.00 C ATOM 1180 C VAL A 84 11.183 15.660 3.755 1.00 0.00 C ATOM 1181 O VAL A 84 11.331 16.334 4.777 1.00 0.00 O ATOM 1182 CB VAL A 84 8.919 16.708 3.500 1.00 0.00 C ATOM 1183 CG1 VAL A 84 8.113 17.521 2.501 1.00 0.00 C ATOM 1184 CG2 VAL A 84 8.011 15.763 4.276 1.00 0.00 C ATOM 0 H VAL A 84 9.219 14.022 2.893 1.00 0.00 H new ATOM 0 HA VAL A 84 10.396 16.564 1.957 1.00 0.00 H new ATOM 0 HB VAL A 84 9.381 17.388 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.322 18.058 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.767 18.235 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.671 16.854 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.228 16.336 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.557 15.048 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.597 15.227 5.023 1.00 0.00 H new ATOM 1194 N MET A 85 11.956 14.624 3.450 1.00 0.00 N ATOM 1195 CA MET A 85 13.054 14.203 4.307 1.00 0.00 C ATOM 1196 C MET A 85 14.395 14.519 3.661 1.00 0.00 C ATOM 1197 O MET A 85 15.323 14.970 4.331 1.00 0.00 O ATOM 1198 CB MET A 85 12.958 12.703 4.595 1.00 0.00 C ATOM 1199 CG MET A 85 13.433 12.319 5.984 1.00 0.00 C ATOM 1200 SD MET A 85 12.085 12.239 7.178 1.00 0.00 S ATOM 1201 CE MET A 85 12.789 13.170 8.535 1.00 0.00 C ATOM 0 H MET A 85 11.840 14.058 2.609 1.00 0.00 H new ATOM 0 HA MET A 85 12.981 14.752 5.246 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.923 12.384 4.473 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.548 12.161 3.856 1.00 0.00 H new ATOM 0 HG2 MET A 85 13.932 11.351 5.939 1.00 0.00 H new ATOM 0 HG3 MET A 85 14.173 13.043 6.324 1.00 0.00 H new ATOM 0 HE1 MET A 85 12.074 13.212 9.357 1.00 0.00 H new ATOM 0 HE2 MET A 85 13.704 12.684 8.874 1.00 0.00 H new ATOM 0 HE3 MET A 85 13.019 14.182 8.201 1.00 0.00 H new ATOM 1211 N VAL A 86 14.492 14.291 2.358 1.00 0.00 N ATOM 1212 CA VAL A 86 15.722 14.568 1.627 1.00 0.00 C ATOM 1213 C VAL A 86 15.468 15.558 0.487 1.00 0.00 C ATOM 1214 O VAL A 86 16.305 16.417 0.202 1.00 0.00 O ATOM 1215 CB VAL A 86 16.375 13.266 1.085 1.00 0.00 C ATOM 1216 CG1 VAL A 86 15.334 12.320 0.511 1.00 0.00 C ATOM 1217 CG2 VAL A 86 17.450 13.569 0.050 1.00 0.00 C ATOM 0 H VAL A 86 13.735 13.916 1.786 1.00 0.00 H new ATOM 0 HA VAL A 86 16.422 15.021 2.329 1.00 0.00 H new ATOM 0 HB VAL A 86 16.852 12.772 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.825 11.420 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.620 12.050 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.810 12.810 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.885 12.635 -0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.007 14.107 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 86 18.229 14.182 0.503 1.00 0.00 H new ATOM 1227 N VAL A 87 14.293 15.473 -0.130 1.00 0.00 N ATOM 1228 CA VAL A 87 13.949 16.376 -1.228 1.00 0.00 C ATOM 1229 C VAL A 87 12.896 17.389 -0.798 1.00 0.00 C ATOM 1230 O VAL A 87 12.412 18.179 -1.611 1.00 0.00 O ATOM 1231 CB VAL A 87 13.434 15.616 -2.473 1.00 0.00 C ATOM 1232 CG1 VAL A 87 13.891 16.308 -3.752 1.00 0.00 C ATOM 1233 CG2 VAL A 87 13.894 14.168 -2.462 1.00 0.00 C ATOM 0 H VAL A 87 13.568 14.796 0.107 1.00 0.00 H new ATOM 0 HA VAL A 87 14.870 16.894 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 87 12.344 15.625 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.519 15.758 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 87 13.502 17.326 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.980 16.336 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.517 13.660 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 87 14.983 14.132 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.512 13.672 -1.570 1.00 0.00 H new ATOM 1243 N GLY A 88 12.580 17.401 0.490 1.00 0.00 N ATOM 1244 CA GLY A 88 11.620 18.357 1.006 1.00 0.00 C ATOM 1245 C GLY A 88 12.181 19.762 1.023 1.00 0.00 C ATOM 1246 O GLY A 88 11.524 20.710 0.587 1.00 0.00 O ATOM 0 H GLY A 88 12.971 16.766 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.718 18.333 0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.328 18.070 2.016 1.00 0.00 H new ATOM 1250 N GLU A 89 13.422 19.877 1.457 1.00 0.00 N ATOM 1251 CA GLU A 89 14.124 21.147 1.466 1.00 0.00 C ATOM 1252 C GLU A 89 15.436 21.010 0.703 1.00 0.00 C ATOM 1253 O GLU A 89 16.082 19.965 0.765 1.00 0.00 O ATOM 1254 CB GLU A 89 14.391 21.594 2.905 1.00 0.00 C ATOM 1255 CG GLU A 89 13.700 22.894 3.274 1.00 0.00 C ATOM 1256 CD GLU A 89 14.674 24.041 3.458 1.00 0.00 C ATOM 1257 OE1 GLU A 89 15.893 23.787 3.556 1.00 0.00 O ATOM 1258 OE2 GLU A 89 14.223 25.205 3.505 1.00 0.00 O ATOM 0 H GLU A 89 13.971 19.094 1.813 1.00 0.00 H new ATOM 0 HA GLU A 89 13.505 21.902 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.062 20.810 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.465 21.710 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.982 23.153 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.134 22.752 4.195 1.00 0.00 H new ATOM 1265 N PRO A 90 15.801 22.029 -0.090 1.00 0.00 N ATOM 1266 CA PRO A 90 17.009 21.992 -0.924 1.00 0.00 C ATOM 1267 C PRO A 90 18.276 21.728 -0.113 1.00 0.00 C ATOM 1268 O PRO A 90 18.801 22.624 0.554 1.00 0.00 O ATOM 1269 CB PRO A 90 17.058 23.391 -1.547 1.00 0.00 C ATOM 1270 CG PRO A 90 15.650 23.872 -1.516 1.00 0.00 C ATOM 1271 CD PRO A 90 15.031 23.268 -0.288 1.00 0.00 C ATOM 0 HA PRO A 90 16.968 21.184 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 90 17.714 24.053 -0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 90 17.442 23.356 -2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 90 15.611 24.961 -1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 90 15.114 23.566 -2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 90 15.113 23.933 0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 90 13.970 23.063 -0.432 1.00 0.00 H new ATOM 1279 N THR A 91 18.766 20.495 -0.174 1.00 0.00 N ATOM 1280 CA THR A 91 19.985 20.120 0.522 1.00 0.00 C ATOM 1281 C THR A 91 21.036 19.645 -0.472 1.00 0.00 C ATOM 1282 O THR A 91 22.178 20.111 -0.460 1.00 0.00 O ATOM 1283 CB THR A 91 19.728 19.009 1.557 1.00 0.00 C ATOM 1284 OG1 THR A 91 18.343 18.993 1.937 1.00 0.00 O ATOM 1285 CG2 THR A 91 20.595 19.210 2.791 1.00 0.00 C ATOM 0 H THR A 91 18.333 19.737 -0.702 1.00 0.00 H new ATOM 0 HA THR A 91 20.345 21.005 1.047 1.00 0.00 H new ATOM 0 HB THR A 91 19.986 18.054 1.099 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.192 18.281 2.594 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.397 18.414 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 91 21.646 19.187 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 91 20.364 20.174 3.245 1.00 0.00 H new ATOM 1293 N LEU A 92 20.621 18.765 -1.374 1.00 0.00 N ATOM 1294 CA LEU A 92 21.495 18.272 -2.425 1.00 0.00 C ATOM 1295 C LEU A 92 20.673 17.773 -3.606 1.00 0.00 C ATOM 1296 O LEU A 92 20.230 16.623 -3.635 1.00 0.00 O ATOM 1297 CB LEU A 92 22.407 17.154 -1.900 1.00 0.00 C ATOM 1298 CG LEU A 92 23.788 17.049 -2.567 1.00 0.00 C ATOM 1299 CD1 LEU A 92 23.787 15.962 -3.628 1.00 0.00 C ATOM 1300 CD2 LEU A 92 24.205 18.381 -3.174 1.00 0.00 C ATOM 0 H LEU A 92 19.678 18.377 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 92 22.125 19.097 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 92 22.552 17.301 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 92 21.891 16.202 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 92 24.513 16.785 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 92 24.773 15.903 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 92 23.543 15.004 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 92 23.044 16.198 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 92 25.185 18.278 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 92 23.476 18.682 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 92 24.252 19.138 -2.392 1.00 0.00 H new ATOM 1312 N MET A 93 20.509 18.634 -4.593 1.00 0.00 N ATOM 1313 CA MET A 93 19.772 18.296 -5.801 1.00 0.00 C ATOM 1314 C MET A 93 20.709 17.679 -6.832 1.00 0.00 C ATOM 1315 O MET A 93 20.717 18.069 -8.001 1.00 0.00 O ATOM 1316 CB MET A 93 19.107 19.550 -6.372 1.00 0.00 C ATOM 1317 CG MET A 93 17.710 19.307 -6.920 1.00 0.00 C ATOM 1318 SD MET A 93 16.432 20.176 -5.990 1.00 0.00 S ATOM 1319 CE MET A 93 16.808 21.879 -6.405 1.00 0.00 C ATOM 0 H MET A 93 20.880 19.584 -4.582 1.00 0.00 H new ATOM 0 HA MET A 93 18.999 17.568 -5.554 1.00 0.00 H new ATOM 0 HB2 MET A 93 19.054 20.309 -5.592 1.00 0.00 H new ATOM 0 HB3 MET A 93 19.734 19.953 -7.167 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.673 19.624 -7.962 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.500 18.238 -6.905 1.00 0.00 H new ATOM 0 HE1 MET A 93 15.972 22.517 -6.117 1.00 0.00 H new ATOM 0 HE2 MET A 93 17.705 22.194 -5.872 1.00 0.00 H new ATOM 0 HE3 MET A 93 16.976 21.963 -7.479 1.00 0.00 H new ATOM 1329 N GLY A 94 21.534 16.746 -6.375 1.00 0.00 N ATOM 1330 CA GLY A 94 22.506 16.118 -7.246 1.00 0.00 C ATOM 1331 C GLY A 94 22.043 14.765 -7.741 1.00 0.00 C ATOM 1332 O GLY A 94 22.764 14.082 -8.467 1.00 0.00 O ATOM 0 H GLY A 94 21.546 16.412 -5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 94 22.700 16.768 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.449 16.004 -6.712 1.00 0.00 H new ATOM 1336 N GLY A 95 20.832 14.386 -7.357 1.00 0.00 N ATOM 1337 CA GLY A 95 20.284 13.117 -7.789 1.00 0.00 C ATOM 1338 C GLY A 95 20.977 11.942 -7.138 1.00 0.00 C ATOM 1339 O GLY A 95 21.412 11.013 -7.818 1.00 0.00 O ATOM 0 H GLY A 95 20.219 14.935 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 95 19.220 13.084 -7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 95 20.374 13.035 -8.872 1.00 0.00 H new ATOM 1343 N GLU A 96 21.059 11.970 -5.816 1.00 0.00 N ATOM 1344 CA GLU A 96 21.665 10.879 -5.064 1.00 0.00 C ATOM 1345 C GLU A 96 20.657 9.752 -4.896 1.00 0.00 C ATOM 1346 O GLU A 96 19.817 9.792 -3.993 1.00 0.00 O ATOM 1347 CB GLU A 96 22.149 11.363 -3.695 1.00 0.00 C ATOM 1348 CG GLU A 96 21.905 12.842 -3.442 1.00 0.00 C ATOM 1349 CD GLU A 96 20.703 13.090 -2.557 1.00 0.00 C ATOM 1350 OE1 GLU A 96 19.562 12.930 -3.041 1.00 0.00 O ATOM 1351 OE2 GLU A 96 20.896 13.442 -1.374 1.00 0.00 O ATOM 0 H GLU A 96 20.713 12.738 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 96 22.529 10.512 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 96 21.649 10.784 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 96 23.216 11.161 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 96 22.790 13.278 -2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 96 21.761 13.351 -4.395 1.00 0.00 H new ATOM 1358 N PHE A 97 20.661 8.829 -5.850 1.00 0.00 N ATOM 1359 CA PHE A 97 19.681 7.749 -5.901 1.00 0.00 C ATOM 1360 C PHE A 97 18.264 8.315 -5.973 1.00 0.00 C ATOM 1361 O PHE A 97 17.407 8.018 -5.136 1.00 0.00 O ATOM 1362 CB PHE A 97 19.830 6.805 -4.703 1.00 0.00 C ATOM 1363 CG PHE A 97 19.674 5.355 -5.071 1.00 0.00 C ATOM 1364 CD1 PHE A 97 20.294 4.839 -6.199 1.00 0.00 C ATOM 1365 CD2 PHE A 97 18.902 4.509 -4.293 1.00 0.00 C ATOM 1366 CE1 PHE A 97 20.147 3.508 -6.543 1.00 0.00 C ATOM 1367 CE2 PHE A 97 18.750 3.178 -4.632 1.00 0.00 C ATOM 1368 CZ PHE A 97 19.374 2.677 -5.757 1.00 0.00 C ATOM 0 H PHE A 97 21.342 8.807 -6.609 1.00 0.00 H new ATOM 0 HA PHE A 97 19.867 7.168 -6.804 1.00 0.00 H new ATOM 0 HB2 PHE A 97 20.810 6.955 -4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 97 19.087 7.064 -3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 97 20.900 5.485 -6.817 1.00 0.00 H new ATOM 0 HD2 PHE A 97 18.413 4.894 -3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 97 20.636 3.119 -7.424 1.00 0.00 H new ATOM 0 HE2 PHE A 97 18.143 2.530 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 97 19.258 1.636 -6.022 1.00 0.00 H new ATOM 1378 N GLY A 98 18.024 9.124 -6.995 1.00 0.00 N ATOM 1379 CA GLY A 98 16.708 9.691 -7.202 1.00 0.00 C ATOM 1380 C GLY A 98 15.841 8.774 -8.033 1.00 0.00 C ATOM 1381 O GLY A 98 15.497 9.095 -9.171 1.00 0.00 O ATOM 0 H GLY A 98 18.721 9.399 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.231 9.871 -6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.800 10.657 -7.698 1.00 0.00 H new ATOM 1385 N ASP A 99 15.596 7.583 -7.512 1.00 0.00 N ATOM 1386 CA ASP A 99 14.873 6.558 -8.248 1.00 0.00 C ATOM 1387 C ASP A 99 13.405 6.924 -8.416 1.00 0.00 C ATOM 1388 O ASP A 99 12.713 7.235 -7.445 1.00 0.00 O ATOM 1389 CB ASP A 99 14.995 5.207 -7.549 1.00 0.00 C ATOM 1390 CG ASP A 99 15.130 4.075 -8.540 1.00 0.00 C ATOM 1391 OD1 ASP A 99 14.152 3.796 -9.257 1.00 0.00 O ATOM 1392 OD2 ASP A 99 16.226 3.481 -8.624 1.00 0.00 O ATOM 0 H ASP A 99 15.889 7.301 -6.577 1.00 0.00 H new ATOM 0 HA ASP A 99 15.322 6.488 -9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 99 15.861 5.217 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 99 14.118 5.040 -6.924 1.00 0.00 H new ATOM 1397 N GLU A 100 12.935 6.870 -9.656 1.00 0.00 N ATOM 1398 CA GLU A 100 11.552 7.195 -9.979 1.00 0.00 C ATOM 1399 C GLU A 100 10.662 5.963 -9.849 1.00 0.00 C ATOM 1400 O GLU A 100 9.537 5.933 -10.350 1.00 0.00 O ATOM 1401 CB GLU A 100 11.446 7.762 -11.401 1.00 0.00 C ATOM 1402 CG GLU A 100 12.768 8.233 -11.987 1.00 0.00 C ATOM 1403 CD GLU A 100 13.487 7.139 -12.742 1.00 0.00 C ATOM 1404 OE1 GLU A 100 14.218 6.358 -12.101 1.00 0.00 O ATOM 1405 OE2 GLU A 100 13.335 7.054 -13.978 1.00 0.00 O ATOM 0 H GLU A 100 13.499 6.601 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 100 11.213 7.951 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.024 6.998 -12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.746 8.598 -11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.586 9.074 -12.657 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.409 8.598 -11.184 1.00 0.00 H new ATOM 1412 N ASP A 101 11.160 4.961 -9.146 1.00 0.00 N ATOM 1413 CA ASP A 101 10.405 3.737 -8.911 1.00 0.00 C ATOM 1414 C ASP A 101 9.329 3.966 -7.851 1.00 0.00 C ATOM 1415 O ASP A 101 8.534 3.075 -7.553 1.00 0.00 O ATOM 1416 CB ASP A 101 11.350 2.618 -8.465 1.00 0.00 C ATOM 1417 CG ASP A 101 10.781 1.234 -8.696 1.00 0.00 C ATOM 1418 OD1 ASP A 101 10.093 1.022 -9.717 1.00 0.00 O ATOM 1419 OD2 ASP A 101 11.021 0.345 -7.854 1.00 0.00 O ATOM 0 H ASP A 101 12.089 4.969 -8.725 1.00 0.00 H new ATOM 0 HA ASP A 101 9.918 3.445 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 101 12.293 2.711 -9.003 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.574 2.740 -7.405 1.00 0.00 H new ATOM 1424 N GLU A 102 9.327 5.162 -7.272 1.00 0.00 N ATOM 1425 CA GLU A 102 8.371 5.514 -6.230 1.00 0.00 C ATOM 1426 C GLU A 102 7.059 6.034 -6.828 1.00 0.00 C ATOM 1427 O GLU A 102 6.589 5.520 -7.846 1.00 0.00 O ATOM 1428 CB GLU A 102 8.985 6.556 -5.284 1.00 0.00 C ATOM 1429 CG GLU A 102 9.673 7.718 -5.993 1.00 0.00 C ATOM 1430 CD GLU A 102 8.957 9.037 -5.774 1.00 0.00 C ATOM 1431 OE1 GLU A 102 7.981 9.067 -4.993 1.00 0.00 O ATOM 1432 OE2 GLU A 102 9.355 10.048 -6.390 1.00 0.00 O ATOM 0 H GLU A 102 9.981 5.908 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 102 8.139 4.613 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.200 6.952 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.709 6.061 -4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.699 7.801 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.724 7.509 -7.062 1.00 0.00 H new ATOM 1439 N ARG A 103 6.497 7.074 -6.206 1.00 0.00 N ATOM 1440 CA ARG A 103 5.264 7.707 -6.670 1.00 0.00 C ATOM 1441 C ARG A 103 4.106 6.716 -6.710 1.00 0.00 C ATOM 1442 O ARG A 103 3.347 6.664 -7.678 1.00 0.00 O ATOM 1443 CB ARG A 103 5.466 8.350 -8.048 1.00 0.00 C ATOM 1444 CG ARG A 103 4.853 9.738 -8.169 1.00 0.00 C ATOM 1445 CD ARG A 103 4.952 10.514 -6.864 1.00 0.00 C ATOM 1446 NE ARG A 103 6.322 10.926 -6.575 1.00 0.00 N ATOM 1447 CZ ARG A 103 6.731 12.191 -6.555 1.00 0.00 C ATOM 1448 NH1 ARG A 103 5.866 13.181 -6.729 1.00 0.00 N ATOM 1449 NH2 ARG A 103 8.008 12.459 -6.348 1.00 0.00 N ATOM 0 H ARG A 103 6.887 7.500 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 103 5.010 8.489 -5.955 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.534 8.414 -8.257 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.031 7.702 -8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.359 10.291 -8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 103 3.807 9.649 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.312 11.395 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.579 9.897 -6.046 1.00 0.00 H new ATOM 0 HE ARG A 103 7.008 10.198 -6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.878 12.975 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.188 14.149 -6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.672 11.698 -6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.330 13.427 -6.331 1.00 0.00 H new ATOM 1463 N LEU A 104 3.960 5.944 -5.645 1.00 0.00 N ATOM 1464 CA LEU A 104 2.889 4.965 -5.568 1.00 0.00 C ATOM 1465 C LEU A 104 1.859 5.357 -4.517 1.00 0.00 C ATOM 1466 O LEU A 104 0.848 4.675 -4.352 1.00 0.00 O ATOM 1467 CB LEU A 104 3.457 3.580 -5.251 1.00 0.00 C ATOM 1468 CG LEU A 104 4.122 2.860 -6.424 1.00 0.00 C ATOM 1469 CD1 LEU A 104 5.533 2.433 -6.057 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.297 1.656 -6.845 1.00 0.00 C ATOM 0 H LEU A 104 4.567 5.976 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 104 2.393 4.935 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.187 3.680 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.650 2.953 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 104 4.179 3.552 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.991 1.922 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.124 3.312 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.498 1.758 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.785 1.155 -7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.210 0.964 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.303 1.984 -7.149 1.00 0.00 H new ATOM 1482 N ILE A 105 2.129 6.433 -3.778 1.00 0.00 N ATOM 1483 CA ILE A 105 1.232 6.850 -2.706 1.00 0.00 C ATOM 1484 C ILE A 105 0.206 7.871 -3.191 1.00 0.00 C ATOM 1485 O ILE A 105 0.551 8.968 -3.635 1.00 0.00 O ATOM 1486 CB ILE A 105 2.005 7.422 -1.485 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.486 6.283 -0.584 1.00 0.00 C ATOM 1488 CG2 ILE A 105 1.139 8.392 -0.678 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.262 6.758 0.625 1.00 0.00 C ATOM 0 H ILE A 105 2.951 7.024 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 105 0.705 5.951 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 105 2.866 7.972 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.624 5.706 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.114 5.609 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.711 8.773 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.835 9.223 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.254 7.872 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.572 5.898 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.143 7.310 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.630 7.408 1.230 1.00 0.00 H new ATOM 1500 N THR A 106 -1.053 7.536 -2.970 1.00 0.00 N ATOM 1501 CA THR A 106 -2.159 8.451 -3.196 1.00 0.00 C ATOM 1502 C THR A 106 -2.910 8.617 -1.879 1.00 0.00 C ATOM 1503 O THR A 106 -3.296 7.624 -1.267 1.00 0.00 O ATOM 1504 CB THR A 106 -3.112 7.898 -4.268 1.00 0.00 C ATOM 1505 OG1 THR A 106 -2.408 6.966 -5.101 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.702 8.997 -5.126 1.00 0.00 C ATOM 0 H THR A 106 -1.338 6.619 -2.628 1.00 0.00 H new ATOM 0 HA THR A 106 -1.777 9.410 -3.546 1.00 0.00 H new ATOM 0 HB THR A 106 -3.935 7.400 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.016 6.613 -5.783 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.369 8.560 -5.869 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.263 9.688 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.900 9.535 -5.630 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.902 9.816 -1.320 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.396 9.989 0.036 1.00 0.00 C ATOM 1516 C ARG A 107 -4.305 11.201 0.188 1.00 0.00 C ATOM 1517 O ARG A 107 -3.840 12.338 0.183 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.218 10.106 1.009 1.00 0.00 C ATOM 1519 CG ARG A 107 -2.598 9.907 2.470 1.00 0.00 C ATOM 1520 CD ARG A 107 -3.143 11.190 3.081 1.00 0.00 C ATOM 1521 NE ARG A 107 -2.782 11.339 4.489 1.00 0.00 N ATOM 1522 CZ ARG A 107 -1.745 12.047 4.929 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -0.940 12.665 4.075 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -1.520 12.137 6.236 1.00 0.00 N ATOM 0 H ARG A 107 -2.567 10.667 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.994 9.108 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.462 9.370 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.761 11.089 0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.346 9.118 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.725 9.576 3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.764 12.045 2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.229 11.201 2.985 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.364 10.868 5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.114 12.600 3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.147 13.206 4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.140 11.665 6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.727 12.678 6.581 1.00 0.00 H new ATOM 1538 N LEU A 108 -5.523 10.925 0.619 1.00 0.00 N ATOM 1539 CA LEU A 108 -6.410 11.951 1.145 1.00 0.00 C ATOM 1540 C LEU A 108 -7.248 11.310 2.235 1.00 0.00 C ATOM 1541 O LEU A 108 -8.123 10.491 1.945 1.00 0.00 O ATOM 1542 CB LEU A 108 -7.316 12.535 0.052 1.00 0.00 C ATOM 1543 CG LEU A 108 -6.946 13.938 -0.451 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -6.211 14.730 0.622 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -6.106 13.841 -1.714 1.00 0.00 C ATOM 0 H LEU A 108 -5.925 9.988 0.615 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.820 12.779 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.312 11.853 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.337 12.565 0.432 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.869 14.469 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.962 15.719 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.849 14.832 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.296 14.207 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.851 14.843 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.192 13.287 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.672 13.323 -2.489 1.00 0.00 H new ATOM 1557 N GLU A 109 -6.889 11.557 3.483 1.00 0.00 N ATOM 1558 CA GLU A 109 -7.527 10.856 4.583 1.00 0.00 C ATOM 1559 C GLU A 109 -8.774 11.592 5.044 1.00 0.00 C ATOM 1560 O GLU A 109 -8.778 12.275 6.072 1.00 0.00 O ATOM 1561 CB GLU A 109 -6.533 10.669 5.731 1.00 0.00 C ATOM 1562 CG GLU A 109 -5.629 9.459 5.542 1.00 0.00 C ATOM 1563 CD GLU A 109 -4.457 9.437 6.502 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -3.899 10.515 6.792 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -4.075 8.340 6.952 1.00 0.00 O ATOM 0 H GLU A 109 -6.170 12.227 3.757 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.840 9.871 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.918 11.565 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.082 10.563 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.216 8.550 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.253 9.450 4.519 1.00 0.00 H new ATOM 1572 N ASN A 110 -9.849 11.360 4.303 1.00 0.00 N ATOM 1573 CA ASN A 110 -11.167 11.911 4.584 1.00 0.00 C ATOM 1574 C ASN A 110 -12.104 11.465 3.469 1.00 0.00 C ATOM 1575 O ASN A 110 -11.695 10.690 2.602 1.00 0.00 O ATOM 1576 CB ASN A 110 -11.103 13.442 4.670 1.00 0.00 C ATOM 1577 CG ASN A 110 -12.286 14.064 5.397 1.00 0.00 C ATOM 1578 OD1 ASN A 110 -13.205 13.371 5.830 1.00 0.00 O ATOM 1579 ND2 ASN A 110 -12.263 15.378 5.542 1.00 0.00 N ATOM 0 H ASN A 110 -9.828 10.770 3.471 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.534 11.550 5.545 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -10.183 13.730 5.179 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.051 13.852 3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.025 15.851 6.027 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.483 15.919 5.169 1.00 0.00 H new ATOM 1586 N THR A 111 -13.298 12.027 3.413 1.00 0.00 N ATOM 1587 CA THR A 111 -14.232 11.737 2.335 1.00 0.00 C ATOM 1588 C THR A 111 -13.802 12.420 1.032 1.00 0.00 C ATOM 1589 O THR A 111 -14.550 12.450 0.052 1.00 0.00 O ATOM 1590 CB THR A 111 -15.650 12.194 2.713 1.00 0.00 C ATOM 1591 OG1 THR A 111 -15.611 12.921 3.950 1.00 0.00 O ATOM 1592 CG2 THR A 111 -16.578 10.999 2.854 1.00 0.00 C ATOM 0 H THR A 111 -13.647 12.691 4.104 1.00 0.00 H new ATOM 0 HA THR A 111 -14.232 10.658 2.179 1.00 0.00 H new ATOM 0 HB THR A 111 -16.029 12.839 1.921 1.00 0.00 H new ATOM 0 HG1 THR A 111 -15.444 12.300 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 111 -17.577 11.344 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 111 -16.622 10.459 1.908 1.00 0.00 H new ATOM 0 HG23 THR A 111 -16.202 10.336 3.633 1.00 0.00 H new ATOM 1600 N GLN A 112 -12.571 12.926 1.021 1.00 0.00 N ATOM 1601 CA GLN A 112 -11.994 13.557 -0.157 1.00 0.00 C ATOM 1602 C GLN A 112 -11.679 12.503 -1.209 1.00 0.00 C ATOM 1603 O GLN A 112 -12.056 12.632 -2.376 1.00 0.00 O ATOM 1604 CB GLN A 112 -10.707 14.312 0.215 1.00 0.00 C ATOM 1605 CG GLN A 112 -10.797 15.090 1.521 1.00 0.00 C ATOM 1606 CD GLN A 112 -11.993 16.020 1.573 1.00 0.00 C ATOM 1607 OE1 GLN A 112 -12.991 15.729 2.230 1.00 0.00 O ATOM 1608 NE2 GLN A 112 -11.901 17.141 0.877 1.00 0.00 N ATOM 0 H GLN A 112 -11.948 12.909 1.829 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.717 14.266 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.887 13.597 0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.458 15.003 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.853 14.388 2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.885 15.672 1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.054 17.343 0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -12.677 17.803 0.872 1.00 0.00 H new ATOM 1617 N PHE A 113 -11.027 11.437 -0.771 1.00 0.00 N ATOM 1618 CA PHE A 113 -10.700 10.326 -1.645 1.00 0.00 C ATOM 1619 C PHE A 113 -11.680 9.175 -1.426 1.00 0.00 C ATOM 1620 O PHE A 113 -12.788 9.389 -0.925 1.00 0.00 O ATOM 1621 CB PHE A 113 -9.251 9.891 -1.413 1.00 0.00 C ATOM 1622 CG PHE A 113 -8.320 10.324 -2.510 1.00 0.00 C ATOM 1623 CD1 PHE A 113 -8.817 10.826 -3.703 1.00 0.00 C ATOM 1624 CD2 PHE A 113 -6.949 10.230 -2.349 1.00 0.00 C ATOM 1625 CE1 PHE A 113 -7.961 11.225 -4.711 1.00 0.00 C ATOM 1626 CE2 PHE A 113 -6.090 10.628 -3.352 1.00 0.00 C ATOM 1627 CZ PHE A 113 -6.597 11.126 -4.535 1.00 0.00 C ATOM 0 H PHE A 113 -10.713 11.320 0.192 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.792 10.641 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.902 10.302 -0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -9.215 8.805 -1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -9.885 10.906 -3.846 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.546 9.840 -1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.360 11.614 -5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.022 10.550 -3.212 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.926 11.438 -5.322 1.00 0.00 H new ATOM 1637 N ASP A 114 -11.306 7.973 -1.848 1.00 0.00 N ATOM 1638 CA ASP A 114 -12.193 6.811 -1.764 1.00 0.00 C ATOM 1639 C ASP A 114 -12.251 6.225 -0.353 1.00 0.00 C ATOM 1640 O ASP A 114 -12.291 5.006 -0.177 1.00 0.00 O ATOM 1641 CB ASP A 114 -11.739 5.737 -2.748 1.00 0.00 C ATOM 1642 CG ASP A 114 -12.895 4.944 -3.318 1.00 0.00 C ATOM 1643 OD1 ASP A 114 -14.017 5.021 -2.772 1.00 0.00 O ATOM 1644 OD2 ASP A 114 -12.690 4.238 -4.328 1.00 0.00 O ATOM 0 H ASP A 114 -10.392 7.774 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.196 7.151 -2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -11.188 6.206 -3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -11.050 5.058 -2.246 1.00 0.00 H new ATOM 1649 N ALA A 115 -12.375 7.093 0.640 1.00 0.00 N ATOM 1650 CA ALA A 115 -12.559 6.656 2.017 1.00 0.00 C ATOM 1651 C ALA A 115 -14.044 6.658 2.358 1.00 0.00 C ATOM 1652 O ALA A 115 -14.436 6.563 3.519 1.00 0.00 O ATOM 1653 CB ALA A 115 -11.785 7.557 2.974 1.00 0.00 C ATOM 0 H ALA A 115 -12.352 8.105 0.518 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.172 5.643 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -11.935 7.214 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.723 7.519 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -12.143 8.582 2.878 1.00 0.00 H new ATOM 1659 N ALA A 116 -14.863 6.811 1.327 1.00 0.00 N ATOM 1660 CA ALA A 116 -16.305 6.861 1.492 1.00 0.00 C ATOM 1661 C ALA A 116 -16.937 5.520 1.144 1.00 0.00 C ATOM 1662 O ALA A 116 -17.377 5.304 0.014 1.00 0.00 O ATOM 1663 CB ALA A 116 -16.898 7.968 0.633 1.00 0.00 C ATOM 0 H ALA A 116 -14.548 6.903 0.361 1.00 0.00 H new ATOM 0 HA ALA A 116 -16.522 7.077 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -17.979 7.993 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -16.473 8.927 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -16.667 7.778 -0.415 1.00 0.00 H new ATOM 1669 N ASN A 117 -17.023 4.644 2.130 1.00 0.00 N ATOM 1670 CA ASN A 117 -17.680 3.357 1.951 1.00 0.00 C ATOM 1671 C ASN A 117 -19.186 3.556 2.019 1.00 0.00 C ATOM 1672 O ASN A 117 -19.947 3.008 1.216 1.00 0.00 O ATOM 1673 CB ASN A 117 -17.230 2.374 3.034 1.00 0.00 C ATOM 1674 CG ASN A 117 -18.089 1.122 3.091 1.00 0.00 C ATOM 1675 OD1 ASN A 117 -18.087 0.307 2.166 1.00 0.00 O ATOM 1676 ND2 ASN A 117 -18.832 0.965 4.172 1.00 0.00 N ATOM 0 H ASN A 117 -16.646 4.799 3.065 1.00 0.00 H new ATOM 0 HA ASN A 117 -17.408 2.944 0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -16.194 2.089 2.851 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -17.258 2.872 4.003 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -19.433 0.146 4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -18.805 1.663 4.915 1.00 0.00 H new ATOM 1683 N GLY A 118 -19.593 4.395 2.956 1.00 0.00 N ATOM 1684 CA GLY A 118 -20.987 4.724 3.119 1.00 0.00 C ATOM 1685 C GLY A 118 -21.184 5.747 4.211 1.00 0.00 C ATOM 1686 O GLY A 118 -20.410 5.794 5.166 1.00 0.00 O ATOM 0 H GLY A 118 -18.969 4.860 3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -21.384 5.110 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -21.551 3.822 3.357 1.00 0.00 H new ATOM 1690 N ILE A 119 -22.196 6.582 4.070 1.00 0.00 N ATOM 1691 CA ILE A 119 -22.480 7.602 5.062 1.00 0.00 C ATOM 1692 C ILE A 119 -23.717 7.218 5.856 1.00 0.00 C ATOM 1693 O ILE A 119 -24.846 7.486 5.441 1.00 0.00 O ATOM 1694 CB ILE A 119 -22.682 8.989 4.412 1.00 0.00 C ATOM 1695 CG1 ILE A 119 -21.527 9.304 3.454 1.00 0.00 C ATOM 1696 CG2 ILE A 119 -22.795 10.065 5.482 1.00 0.00 C ATOM 1697 CD1 ILE A 119 -21.892 10.284 2.359 1.00 0.00 C ATOM 0 H ILE A 119 -22.837 6.574 3.276 1.00 0.00 H new ATOM 0 HA ILE A 119 -21.621 7.669 5.729 1.00 0.00 H new ATOM 0 HB ILE A 119 -23.610 8.972 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -20.692 9.708 4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -21.182 8.376 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -22.937 11.036 5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -23.646 9.848 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -21.883 10.082 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -21.025 10.457 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -22.706 9.875 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -22.208 11.227 2.805 1.00 0.00 H new ATOM 1708 N ASP A 120 -23.500 6.525 6.963 1.00 0.00 N ATOM 1709 CA ASP A 120 -24.595 6.056 7.794 1.00 0.00 C ATOM 1710 C ASP A 120 -24.319 6.362 9.255 1.00 0.00 C ATOM 1711 O ASP A 120 -23.235 6.076 9.766 1.00 0.00 O ATOM 1712 CB ASP A 120 -24.807 4.549 7.613 1.00 0.00 C ATOM 1713 CG ASP A 120 -26.110 4.072 8.228 1.00 0.00 C ATOM 1714 OD1 ASP A 120 -27.182 4.570 7.826 1.00 0.00 O ATOM 1715 OD2 ASP A 120 -26.068 3.191 9.112 1.00 0.00 O ATOM 0 H ASP A 120 -22.573 6.275 7.306 1.00 0.00 H new ATOM 0 HA ASP A 120 -25.501 6.577 7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -24.800 4.309 6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -23.975 4.010 8.067 1.00 0.00 H new ATOM 1720 N ASP A 121 -25.295 6.961 9.914 1.00 0.00 N ATOM 1721 CA ASP A 121 -25.165 7.311 11.320 1.00 0.00 C ATOM 1722 C ASP A 121 -25.550 6.123 12.195 1.00 0.00 C ATOM 1723 O ASP A 121 -25.870 5.048 11.685 1.00 0.00 O ATOM 1724 CB ASP A 121 -26.034 8.526 11.649 1.00 0.00 C ATOM 1725 CG ASP A 121 -25.379 9.452 12.653 1.00 0.00 C ATOM 1726 OD1 ASP A 121 -25.459 9.168 13.867 1.00 0.00 O ATOM 1727 OD2 ASP A 121 -24.782 10.469 12.236 1.00 0.00 O ATOM 0 H ASP A 121 -26.190 7.217 9.497 1.00 0.00 H new ATOM 0 HA ASP A 121 -24.125 7.568 11.523 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -26.243 9.078 10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -26.992 8.187 12.043 1.00 0.00 H new ATOM 1732 N GLU A 122 -25.478 6.297 13.503 1.00 0.00 N ATOM 1733 CA GLU A 122 -25.770 5.213 14.429 1.00 0.00 C ATOM 1734 C GLU A 122 -27.272 5.055 14.619 1.00 0.00 C ATOM 1735 O GLU A 122 -27.768 3.911 14.557 1.00 0.00 O ATOM 1736 CB GLU A 122 -25.089 5.469 15.774 1.00 0.00 C ATOM 1737 CG GLU A 122 -23.634 5.894 15.651 1.00 0.00 C ATOM 1738 CD GLU A 122 -22.695 4.730 15.393 1.00 0.00 C ATOM 1739 OE1 GLU A 122 -23.169 3.655 14.965 1.00 0.00 O ATOM 1740 OE2 GLU A 122 -21.477 4.885 15.619 1.00 0.00 O ATOM 1741 OXT GLU A 122 -27.957 6.079 14.821 1.00 0.00 O ATOM 0 H GLU A 122 -25.220 7.177 13.949 1.00 0.00 H new ATOM 0 HA GLU A 122 -25.380 4.287 14.007 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -25.640 6.242 16.309 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -25.144 4.563 16.377 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -23.540 6.616 14.840 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -23.331 6.402 16.567 1.00 0.00 H new TER 1748 GLU A 122 HETATM 1749 ZN ZN A 123 -6.182 -1.610 6.589 1.00 0.00 ZN HETATM 1750 ZN ZN A 124 10.833 3.562 6.727 1.00 0.00 ZN