USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 907 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 GLN : amide:sc= -3.56 K(o=-13,f=-18!) USER MOD Set 1.2: A 104 GLN : amide:sc= -9.65! C(o=-13!,f=-20!) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0.636 USER MOD Set 2.2: A 64 THR OG1 : rot -72:sc= 0.702 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= -0.356 USER MOD Set 3.2: A 29 SER OG : rot 180:sc= 0.0643 USER MOD Single : A 8 SER OG : rot 69:sc= -4.87! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 0.603 (180deg=0.447) USER MOD Single : A 24 TYR OH : rot -39:sc= 0.349 USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= -0.068 (180deg=-0.46) USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= 0.789 (180deg=-0.701) USER MOD Single : A 35 TYR OH : rot 165:sc= -1.03 USER MOD Single : A 37 SER OG : rot 12:sc= 1.15 USER MOD Single : A 39 GLN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -0.127 (180deg=-0.354) USER MOD Single : A 43 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 135:sc= -7.61! (180deg=-9.98!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -2.02! USER MOD Single : A 84 ASN : amide:sc= -5.01 X(o=-5,f=-4.9!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.077) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0626 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -114:sc= -0.0643 (180deg=-0.944) USER MOD Single : A 113 LYS NZ :NH3+ 163:sc= -0.92 (180deg=-1.55) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 7.514 4.217 -13.079 1.00 0.00 N ATOM 15 CA ARG A 2 7.743 4.405 -11.652 1.00 0.00 C ATOM 16 C ARG A 2 7.136 3.258 -10.850 1.00 0.00 C ATOM 17 O ARG A 2 6.610 2.304 -11.419 1.00 0.00 O ATOM 18 CB ARG A 2 7.157 5.743 -11.190 1.00 0.00 C ATOM 19 CG ARG A 2 5.693 5.935 -11.558 1.00 0.00 C ATOM 20 CD ARG A 2 5.536 6.532 -12.949 1.00 0.00 C ATOM 21 NE ARG A 2 6.113 7.872 -13.037 1.00 0.00 N ATOM 22 CZ ARG A 2 5.809 8.748 -13.991 1.00 0.00 C ATOM 23 NH1 ARG A 2 4.935 8.433 -14.939 1.00 0.00 N ATOM 24 NH2 ARG A 2 6.379 9.946 -13.999 1.00 0.00 N ATOM 0 HA ARG A 2 8.819 4.414 -11.478 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.263 5.820 -10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.740 6.554 -11.626 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.178 4.976 -11.513 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.216 6.587 -10.826 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.017 5.881 -13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.478 6.575 -13.208 1.00 0.00 H new ATOM 0 HE ARG A 2 6.788 8.152 -12.325 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.492 7.514 -14.939 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.707 9.110 -15.667 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.051 10.196 -13.273 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.145 10.617 -14.731 1.00 0.00 H new ATOM 38 N LEU A 3 7.215 3.358 -9.523 1.00 0.00 N ATOM 39 CA LEU A 3 6.674 2.326 -8.639 1.00 0.00 C ATOM 40 C LEU A 3 5.278 1.901 -9.084 1.00 0.00 C ATOM 41 O LEU A 3 4.325 2.673 -8.989 1.00 0.00 O ATOM 42 CB LEU A 3 6.625 2.839 -7.198 1.00 0.00 C ATOM 43 CG LEU A 3 6.942 1.797 -6.125 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.370 1.295 -6.273 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.716 2.379 -4.737 1.00 0.00 C ATOM 0 H LEU A 3 7.648 4.143 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 3 7.331 1.458 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.329 3.665 -7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.631 3.243 -7.007 1.00 0.00 H new ATOM 0 HG LEU A 3 6.269 0.950 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.577 0.554 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.496 0.840 -7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.062 2.131 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.946 1.625 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.365 3.243 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.675 2.686 -4.636 1.00 0.00 H new ATOM 57 N GLU A 4 5.166 0.674 -9.578 1.00 0.00 N ATOM 58 CA GLU A 4 3.887 0.159 -10.043 1.00 0.00 C ATOM 59 C GLU A 4 3.855 -1.367 -10.001 1.00 0.00 C ATOM 60 O GLU A 4 4.896 -2.023 -9.991 1.00 0.00 O ATOM 61 CB GLU A 4 3.614 0.652 -11.469 1.00 0.00 C ATOM 62 CG GLU A 4 4.390 -0.101 -12.540 1.00 0.00 C ATOM 63 CD GLU A 4 4.132 0.438 -13.934 1.00 0.00 C ATOM 64 OE1 GLU A 4 3.155 -0.008 -14.571 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.907 1.305 -14.388 1.00 0.00 O ATOM 0 H GLU A 4 5.944 0.020 -9.666 1.00 0.00 H new ATOM 0 HA GLU A 4 3.109 0.530 -9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.548 0.563 -11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.863 1.711 -11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.456 -0.039 -12.322 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.118 -1.156 -12.506 1.00 0.00 H new ATOM 72 N GLY A 5 2.648 -1.919 -9.984 1.00 0.00 N ATOM 73 CA GLY A 5 2.485 -3.360 -9.950 1.00 0.00 C ATOM 74 C GLY A 5 1.201 -3.766 -9.263 1.00 0.00 C ATOM 75 O GLY A 5 0.221 -3.022 -9.284 1.00 0.00 O ATOM 0 H GLY A 5 1.775 -1.391 -9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.491 -3.750 -10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.332 -3.809 -9.431 1.00 0.00 H new ATOM 79 N TRP A 6 1.200 -4.942 -8.648 1.00 0.00 N ATOM 80 CA TRP A 6 0.015 -5.425 -7.955 1.00 0.00 C ATOM 81 C TRP A 6 0.301 -5.681 -6.486 1.00 0.00 C ATOM 82 O TRP A 6 1.206 -6.438 -6.139 1.00 0.00 O ATOM 83 CB TRP A 6 -0.501 -6.708 -8.595 1.00 0.00 C ATOM 84 CG TRP A 6 -0.750 -6.561 -10.054 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.183 -6.573 -11.034 1.00 0.00 C ATOM 86 CD2 TRP A 6 -2.013 -6.373 -10.694 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.410 -6.388 -12.255 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.764 -6.268 -12.074 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.326 -6.281 -10.234 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.786 -6.074 -13.001 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.341 -6.089 -11.153 1.00 0.00 C ATOM 92 CH2 TRP A 6 -4.067 -5.988 -12.524 1.00 0.00 C ATOM 0 H TRP A 6 2.000 -5.574 -8.615 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.745 -4.648 -8.037 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.223 -7.507 -8.433 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.425 -7.010 -8.101 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.243 -6.709 -10.876 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.076 -6.346 -13.151 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.546 -6.358 -9.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.576 -5.994 -14.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.362 -6.016 -10.809 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.882 -5.840 -13.217 1.00 0.00 H new ATOM 103 N LEU A 7 -0.495 -5.061 -5.631 1.00 0.00 N ATOM 104 CA LEU A 7 -0.352 -5.237 -4.200 1.00 0.00 C ATOM 105 C LEU A 7 -1.647 -5.790 -3.630 1.00 0.00 C ATOM 106 O LEU A 7 -2.719 -5.588 -4.198 1.00 0.00 O ATOM 107 CB LEU A 7 0.025 -3.919 -3.530 1.00 0.00 C ATOM 108 CG LEU A 7 1.415 -3.396 -3.898 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.539 -1.923 -3.556 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.493 -4.203 -3.189 1.00 0.00 C ATOM 0 H LEU A 7 -1.248 -4.430 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 7 0.452 -5.946 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.716 -3.165 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.027 -4.048 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 7 1.552 -3.510 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.534 -1.570 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.791 -1.357 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.381 -1.783 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.475 -3.817 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.358 -4.121 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.419 -5.249 -3.486 1.00 0.00 H new ATOM 122 N SER A 8 -1.543 -6.515 -2.531 1.00 0.00 N ATOM 123 CA SER A 8 -2.716 -7.126 -1.924 1.00 0.00 C ATOM 124 C SER A 8 -3.333 -6.240 -0.851 1.00 0.00 C ATOM 125 O SER A 8 -2.635 -5.665 -0.016 1.00 0.00 O ATOM 126 CB SER A 8 -2.359 -8.497 -1.345 1.00 0.00 C ATOM 127 OG SER A 8 -2.672 -8.575 0.036 1.00 0.00 O ATOM 0 H SER A 8 -0.666 -6.695 -2.042 1.00 0.00 H new ATOM 0 HA SER A 8 -3.463 -7.251 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.899 -9.274 -1.886 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.296 -8.689 -1.490 1.00 0.00 H new ATOM 0 HG SER A 8 -3.645 -8.568 0.152 1.00 0.00 H new ATOM 133 N LEU A 9 -4.657 -6.157 -0.881 1.00 0.00 N ATOM 134 CA LEU A 9 -5.406 -5.366 0.083 1.00 0.00 C ATOM 135 C LEU A 9 -6.442 -6.238 0.785 1.00 0.00 C ATOM 136 O LEU A 9 -6.974 -7.178 0.193 1.00 0.00 O ATOM 137 CB LEU A 9 -6.094 -4.193 -0.612 1.00 0.00 C ATOM 138 CG LEU A 9 -5.152 -3.190 -1.279 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.817 -3.633 -2.694 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.769 -1.801 -1.285 1.00 0.00 C ATOM 0 H LEU A 9 -5.238 -6.634 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.711 -4.974 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.774 -4.587 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.703 -3.664 0.121 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.227 -3.151 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.146 -2.907 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.331 -4.608 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.733 -3.701 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.084 -1.101 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.709 -1.823 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.957 -1.482 -0.260 1.00 0.00 H new ATOM 152 N PRO A 10 -6.747 -5.945 2.058 1.00 0.00 N ATOM 153 CA PRO A 10 -7.726 -6.717 2.829 1.00 0.00 C ATOM 154 C PRO A 10 -9.116 -6.668 2.205 1.00 0.00 C ATOM 155 O PRO A 10 -9.776 -5.628 2.214 1.00 0.00 O ATOM 156 CB PRO A 10 -7.727 -6.040 4.204 1.00 0.00 C ATOM 157 CG PRO A 10 -7.145 -4.686 3.974 1.00 0.00 C ATOM 158 CD PRO A 10 -6.166 -4.846 2.847 1.00 0.00 C ATOM 0 HA PRO A 10 -7.467 -7.775 2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.737 -5.971 4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.134 -6.607 4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.922 -3.965 3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.650 -4.316 4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.074 -3.932 2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.169 -5.093 3.211 1.00 0.00 H new ATOM 166 N VAL A 11 -9.552 -7.798 1.658 1.00 0.00 N ATOM 167 CA VAL A 11 -10.863 -7.886 1.023 1.00 0.00 C ATOM 168 C VAL A 11 -11.741 -8.932 1.706 1.00 0.00 C ATOM 169 O VAL A 11 -11.310 -10.059 1.945 1.00 0.00 O ATOM 170 CB VAL A 11 -10.734 -8.234 -0.472 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.056 -9.583 -0.653 1.00 0.00 C ATOM 172 CG2 VAL A 11 -12.098 -8.219 -1.146 1.00 0.00 C ATOM 0 H VAL A 11 -9.017 -8.666 1.641 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.331 -6.907 1.124 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.112 -7.476 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.975 -9.810 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.060 -9.552 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.647 -10.356 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.985 -8.467 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.748 -8.952 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.539 -7.227 -1.052 1.00 0.00 H new ATOM 319 N TRP A 20 -6.868 -11.148 0.855 1.00 0.00 N ATOM 320 CA TRP A 20 -5.972 -10.353 0.027 1.00 0.00 C ATOM 321 C TRP A 20 -6.441 -10.319 -1.418 1.00 0.00 C ATOM 322 O TRP A 20 -7.108 -11.238 -1.894 1.00 0.00 O ATOM 323 CB TRP A 20 -4.551 -10.907 0.082 1.00 0.00 C ATOM 324 CG TRP A 20 -4.016 -11.045 1.475 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.638 -12.198 2.102 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.799 -9.987 2.420 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.192 -11.921 3.373 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.284 -10.572 3.591 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.989 -8.603 2.385 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.957 -9.819 4.716 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.665 -7.858 3.504 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.153 -8.467 4.655 1.00 0.00 C ATOM 0 HA TRP A 20 -5.980 -9.338 0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.531 -11.882 -0.405 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.892 -10.252 -0.488 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.683 -13.184 1.663 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.849 -12.608 4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.382 -8.124 1.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.562 -10.287 5.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.810 -6.788 3.489 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.908 -7.857 5.512 1.00 0.00 H new ATOM 343 N VAL A 21 -6.077 -9.252 -2.115 1.00 0.00 N ATOM 344 CA VAL A 21 -6.444 -9.086 -3.515 1.00 0.00 C ATOM 345 C VAL A 21 -5.454 -8.174 -4.227 1.00 0.00 C ATOM 346 O VAL A 21 -5.292 -7.012 -3.854 1.00 0.00 O ATOM 347 CB VAL A 21 -7.867 -8.511 -3.660 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.960 -7.138 -3.011 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.271 -8.445 -5.125 1.00 0.00 C ATOM 0 H VAL A 21 -5.525 -8.485 -1.732 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.420 -10.074 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.560 -9.177 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.972 -6.750 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.719 -7.220 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.255 -6.460 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.278 -8.037 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.575 -7.804 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.250 -9.447 -5.554 1.00 0.00 H new ATOM 359 N LYS A 22 -4.782 -8.703 -5.246 1.00 0.00 N ATOM 360 CA LYS A 22 -3.801 -7.922 -5.986 1.00 0.00 C ATOM 361 C LYS A 22 -4.469 -6.858 -6.847 1.00 0.00 C ATOM 362 O LYS A 22 -5.098 -7.163 -7.860 1.00 0.00 O ATOM 363 CB LYS A 22 -2.954 -8.824 -6.889 1.00 0.00 C ATOM 364 CG LYS A 22 -1.507 -8.955 -6.450 1.00 0.00 C ATOM 365 CD LYS A 22 -0.761 -9.989 -7.282 1.00 0.00 C ATOM 366 CE LYS A 22 -0.885 -9.719 -8.778 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.919 -10.982 -9.568 1.00 0.00 N ATOM 0 H LYS A 22 -4.899 -9.662 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.163 -7.435 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.405 -9.816 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.980 -8.431 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.010 -7.989 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.469 -9.238 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.292 -9.989 -7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.151 -10.982 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.792 -9.146 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.046 -9.107 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.004 -10.756 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.042 -11.517 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.735 -11.555 -9.272 1.00 0.00 H new ATOM 381 N LYS A 23 -4.290 -5.605 -6.452 1.00 0.00 N ATOM 382 CA LYS A 23 -4.830 -4.481 -7.198 1.00 0.00 C ATOM 383 C LYS A 23 -3.678 -3.721 -7.828 1.00 0.00 C ATOM 384 O LYS A 23 -2.589 -3.656 -7.256 1.00 0.00 O ATOM 385 CB LYS A 23 -5.639 -3.557 -6.291 1.00 0.00 C ATOM 386 CG LYS A 23 -6.803 -4.246 -5.601 1.00 0.00 C ATOM 387 CD LYS A 23 -7.961 -4.472 -6.561 1.00 0.00 C ATOM 388 CE LYS A 23 -8.833 -5.637 -6.122 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.280 -5.368 -6.354 1.00 0.00 N ATOM 0 H LYS A 23 -3.772 -5.342 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.502 -4.853 -7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.978 -3.135 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.020 -2.724 -6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.473 -5.202 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.139 -3.641 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.566 -3.567 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.573 -4.664 -7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.539 -6.535 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.666 -5.836 -5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.812 -6.260 -6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.632 -4.713 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.408 -4.943 -7.294 1.00 0.00 H new ATOM 403 N TYR A 24 -3.897 -3.169 -9.008 1.00 0.00 N ATOM 404 CA TYR A 24 -2.835 -2.446 -9.689 1.00 0.00 C ATOM 405 C TYR A 24 -2.568 -1.095 -9.044 1.00 0.00 C ATOM 406 O TYR A 24 -3.309 -0.134 -9.250 1.00 0.00 O ATOM 407 CB TYR A 24 -3.138 -2.270 -11.173 1.00 0.00 C ATOM 408 CG TYR A 24 -1.893 -2.352 -12.024 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.735 -1.686 -11.645 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.866 -3.105 -13.190 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.415 -1.763 -12.403 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.717 -3.190 -13.954 1.00 0.00 C ATOM 413 CZ TYR A 24 0.420 -2.517 -13.557 1.00 0.00 C ATOM 414 OH TYR A 24 1.565 -2.600 -14.317 1.00 0.00 O ATOM 0 H TYR A 24 -4.785 -3.205 -9.509 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.934 -3.052 -9.592 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.844 -3.037 -11.491 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.621 -1.306 -11.331 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.735 -1.097 -10.740 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.755 -3.632 -13.505 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.306 -1.236 -12.094 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.709 -3.781 -14.858 1.00 0.00 H new ATOM 0 HH TYR A 24 2.005 -1.725 -14.342 1.00 0.00 H new ATOM 424 N VAL A 25 -1.488 -1.033 -8.275 1.00 0.00 N ATOM 425 CA VAL A 25 -1.089 0.195 -7.606 1.00 0.00 C ATOM 426 C VAL A 25 0.091 0.826 -8.328 1.00 0.00 C ATOM 427 O VAL A 25 1.049 0.138 -8.682 1.00 0.00 O ATOM 428 CB VAL A 25 -0.695 -0.058 -6.138 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.526 1.257 -5.394 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.725 -0.941 -5.452 1.00 0.00 C ATOM 0 H VAL A 25 -0.870 -1.826 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.947 0.867 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 25 0.262 -0.580 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.248 1.057 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.256 1.848 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.464 1.811 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.429 -1.108 -4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.698 -0.451 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.787 -1.898 -5.970 1.00 0.00 H new ATOM 440 N ILE A 26 0.024 2.131 -8.544 1.00 0.00 N ATOM 441 CA ILE A 26 1.100 2.836 -9.225 1.00 0.00 C ATOM 442 C ILE A 26 1.348 4.193 -8.580 1.00 0.00 C ATOM 443 O ILE A 26 0.489 5.074 -8.612 1.00 0.00 O ATOM 444 CB ILE A 26 0.787 3.027 -10.725 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.072 1.793 -11.281 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.065 3.291 -11.508 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.256 1.896 -12.755 1.00 0.00 C ATOM 0 H ILE A 26 -0.759 2.720 -8.260 1.00 0.00 H new ATOM 0 HA ILE A 26 1.998 2.225 -9.133 1.00 0.00 H new ATOM 0 HB ILE A 26 0.130 3.890 -10.832 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.698 0.916 -11.117 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.850 1.635 -10.722 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.825 3.423 -12.563 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.544 4.194 -11.129 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.743 2.445 -11.393 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.761 0.986 -13.080 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.908 2.753 -12.924 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.665 2.023 -13.325 1.00 0.00 H new ATOM 459 N VAL A 27 2.528 4.352 -7.992 1.00 0.00 N ATOM 460 CA VAL A 27 2.894 5.598 -7.334 1.00 0.00 C ATOM 461 C VAL A 27 3.499 6.584 -8.324 1.00 0.00 C ATOM 462 O VAL A 27 4.651 6.441 -8.731 1.00 0.00 O ATOM 463 CB VAL A 27 3.901 5.356 -6.192 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.122 6.630 -5.391 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.424 4.224 -5.293 1.00 0.00 C ATOM 0 H VAL A 27 3.249 3.631 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 27 1.977 6.017 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 27 4.856 5.064 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.836 6.437 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.513 7.408 -6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.176 6.959 -4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.146 4.066 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.457 4.484 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.327 3.310 -5.879 1.00 0.00 H new ATOM 475 N SER A 28 2.716 7.587 -8.707 1.00 0.00 N ATOM 476 CA SER A 28 3.178 8.597 -9.650 1.00 0.00 C ATOM 477 C SER A 28 4.044 9.639 -8.949 1.00 0.00 C ATOM 478 O SER A 28 4.070 9.715 -7.721 1.00 0.00 O ATOM 479 CB SER A 28 1.986 9.279 -10.324 1.00 0.00 C ATOM 480 OG SER A 28 2.405 10.388 -11.101 1.00 0.00 O ATOM 0 H SER A 28 1.760 7.721 -8.379 1.00 0.00 H new ATOM 0 HA SER A 28 3.781 8.100 -10.410 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.464 8.563 -10.959 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.276 9.610 -9.566 1.00 0.00 H new ATOM 0 HG SER A 28 1.625 10.805 -11.523 1.00 0.00 H new ATOM 486 N SER A 29 4.752 10.438 -9.739 1.00 0.00 N ATOM 487 CA SER A 29 5.622 11.475 -9.193 1.00 0.00 C ATOM 488 C SER A 29 4.847 12.415 -8.271 1.00 0.00 C ATOM 489 O SER A 29 4.012 13.197 -8.726 1.00 0.00 O ATOM 490 CB SER A 29 6.267 12.276 -10.327 1.00 0.00 C ATOM 491 OG SER A 29 5.433 12.302 -11.472 1.00 0.00 O ATOM 0 H SER A 29 4.741 10.389 -10.758 1.00 0.00 H new ATOM 0 HA SER A 29 6.401 10.986 -8.609 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.461 13.295 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.230 11.836 -10.585 1.00 0.00 H new ATOM 0 HG SER A 29 5.867 12.821 -12.181 1.00 0.00 H new ATOM 497 N LYS A 30 5.133 12.332 -6.975 1.00 0.00 N ATOM 498 CA LYS A 30 4.469 13.175 -5.986 1.00 0.00 C ATOM 499 C LYS A 30 2.973 12.881 -5.924 1.00 0.00 C ATOM 500 O LYS A 30 2.172 13.758 -5.599 1.00 0.00 O ATOM 501 CB LYS A 30 4.695 14.653 -6.307 1.00 0.00 C ATOM 502 CG LYS A 30 6.162 15.046 -6.366 1.00 0.00 C ATOM 503 CD LYS A 30 6.752 15.218 -4.973 1.00 0.00 C ATOM 504 CE LYS A 30 7.150 16.661 -4.709 1.00 0.00 C ATOM 505 NZ LYS A 30 8.179 17.139 -5.674 1.00 0.00 N ATOM 0 H LYS A 30 5.821 11.688 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 30 4.903 12.949 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.227 14.884 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.195 15.261 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.722 14.284 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.268 15.976 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.025 14.898 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.624 14.574 -4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.268 17.298 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.535 16.751 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.766 17.869 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.780 16.341 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.710 17.541 -6.511 1.00 0.00 H new ATOM 519 N LYS A 31 2.600 11.644 -6.234 1.00 0.00 N ATOM 520 CA LYS A 31 1.198 11.243 -6.209 1.00 0.00 C ATOM 521 C LYS A 31 1.061 9.723 -6.216 1.00 0.00 C ATOM 522 O LYS A 31 1.935 9.012 -6.711 1.00 0.00 O ATOM 523 CB LYS A 31 0.456 11.839 -7.407 1.00 0.00 C ATOM 524 CG LYS A 31 -1.038 11.559 -7.399 1.00 0.00 C ATOM 525 CD LYS A 31 -1.740 12.315 -6.282 1.00 0.00 C ATOM 526 CE LYS A 31 -2.068 13.741 -6.695 1.00 0.00 C ATOM 527 NZ LYS A 31 -3.207 14.299 -5.914 1.00 0.00 N ATOM 0 H LYS A 31 3.247 10.903 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 31 0.756 11.622 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.615 12.917 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.887 11.440 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.468 11.844 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.208 10.489 -7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.658 11.794 -6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.106 12.329 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.189 14.370 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.311 13.764 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.791 14.898 -6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.786 13.520 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.841 14.869 -5.125 1.00 0.00 H new ATOM 541 N ILE A 32 -0.045 9.233 -5.667 1.00 0.00 N ATOM 542 CA ILE A 32 -0.304 7.797 -5.610 1.00 0.00 C ATOM 543 C ILE A 32 -1.616 7.458 -6.307 1.00 0.00 C ATOM 544 O ILE A 32 -2.663 8.021 -5.989 1.00 0.00 O ATOM 545 CB ILE A 32 -0.362 7.288 -4.156 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.780 7.888 -3.333 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.301 5.769 -4.125 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.715 7.534 -1.863 1.00 0.00 C ATOM 0 H ILE A 32 -0.778 9.809 -5.254 1.00 0.00 H new ATOM 0 HA ILE A 32 0.522 7.304 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.307 7.605 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.731 7.543 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.763 8.973 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.343 5.424 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.146 5.360 -4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.630 5.433 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.555 7.993 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.220 7.903 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.763 6.451 -1.747 1.00 0.00 H new ATOM 560 N LEU A 33 -1.553 6.537 -7.264 1.00 0.00 N ATOM 561 CA LEU A 33 -2.739 6.130 -8.007 1.00 0.00 C ATOM 562 C LEU A 33 -3.059 4.657 -7.769 1.00 0.00 C ATOM 563 O LEU A 33 -2.166 3.810 -7.758 1.00 0.00 O ATOM 564 CB LEU A 33 -2.541 6.385 -9.502 1.00 0.00 C ATOM 565 CG LEU A 33 -2.304 7.847 -9.883 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.816 8.159 -9.899 1.00 0.00 C ATOM 567 CD2 LEU A 33 -2.929 8.153 -11.236 1.00 0.00 C ATOM 0 H LEU A 33 -0.695 6.060 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.579 6.725 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.693 5.793 -9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.420 6.024 -10.036 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.779 8.480 -9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.666 9.204 -10.172 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.396 7.979 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.318 7.519 -10.627 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.751 9.198 -11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.482 7.512 -11.996 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.002 7.969 -11.191 1.00 0.00 H new ATOM 579 N PHE A 34 -4.341 4.361 -7.583 1.00 0.00 N ATOM 580 CA PHE A 34 -4.790 2.994 -7.348 1.00 0.00 C ATOM 581 C PHE A 34 -5.777 2.566 -8.426 1.00 0.00 C ATOM 582 O PHE A 34 -6.767 3.250 -8.686 1.00 0.00 O ATOM 583 CB PHE A 34 -5.437 2.877 -5.968 1.00 0.00 C ATOM 584 CG PHE A 34 -4.984 1.677 -5.186 1.00 0.00 C ATOM 585 CD1 PHE A 34 -5.653 0.468 -5.296 1.00 0.00 C ATOM 586 CD2 PHE A 34 -3.893 1.760 -4.337 1.00 0.00 C ATOM 587 CE1 PHE A 34 -5.240 -0.635 -4.576 1.00 0.00 C ATOM 588 CE2 PHE A 34 -3.476 0.659 -3.614 1.00 0.00 C ATOM 589 CZ PHE A 34 -4.150 -0.540 -3.733 1.00 0.00 C ATOM 0 H PHE A 34 -5.090 5.053 -7.591 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.923 2.335 -7.386 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.215 3.777 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.520 2.834 -6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.507 0.388 -5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.362 2.696 -4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.769 -1.572 -4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.623 0.736 -2.956 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.826 -1.402 -3.168 1.00 0.00 H new ATOM 599 N TYR A 35 -5.498 1.430 -9.052 1.00 0.00 N ATOM 600 CA TYR A 35 -6.356 0.907 -10.108 1.00 0.00 C ATOM 601 C TYR A 35 -6.740 -0.544 -9.834 1.00 0.00 C ATOM 602 O TYR A 35 -6.213 -1.175 -8.918 1.00 0.00 O ATOM 603 CB TYR A 35 -5.655 1.011 -11.463 1.00 0.00 C ATOM 604 CG TYR A 35 -5.454 2.433 -11.937 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.305 3.140 -11.606 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.412 3.065 -12.719 1.00 0.00 C ATOM 607 CE1 TYR A 35 -4.117 4.438 -12.041 1.00 0.00 C ATOM 608 CE2 TYR A 35 -6.232 4.363 -13.156 1.00 0.00 C ATOM 609 CZ TYR A 35 -5.083 5.045 -12.815 1.00 0.00 C ATOM 610 OH TYR A 35 -4.899 6.338 -13.250 1.00 0.00 O ATOM 0 H TYR A 35 -4.683 0.852 -8.847 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.266 1.507 -10.128 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.685 0.518 -11.399 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.239 0.469 -12.207 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.547 2.668 -10.999 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.312 2.533 -12.990 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.218 4.974 -11.776 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.987 4.841 -13.762 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.537 6.536 -13.968 1.00 0.00 H new ATOM 620 N ASP A 36 -7.656 -1.066 -10.641 1.00 0.00 N ATOM 621 CA ASP A 36 -8.111 -2.443 -10.494 1.00 0.00 C ATOM 622 C ASP A 36 -7.560 -3.319 -11.618 1.00 0.00 C ATOM 623 O ASP A 36 -7.427 -4.534 -11.462 1.00 0.00 O ATOM 624 CB ASP A 36 -9.640 -2.500 -10.492 1.00 0.00 C ATOM 625 CG ASP A 36 -10.171 -3.792 -9.907 1.00 0.00 C ATOM 626 OD1 ASP A 36 -9.552 -4.312 -8.954 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.206 -4.287 -10.402 1.00 0.00 O ATOM 0 H ASP A 36 -8.099 -0.556 -11.405 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.739 -2.824 -9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.031 -1.658 -9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.006 -2.390 -11.513 1.00 0.00 H new ATOM 632 N SER A 37 -7.241 -2.694 -12.747 1.00 0.00 N ATOM 633 CA SER A 37 -6.704 -3.415 -13.896 1.00 0.00 C ATOM 634 C SER A 37 -6.054 -2.453 -14.885 1.00 0.00 C ATOM 635 O SER A 37 -6.132 -1.235 -14.721 1.00 0.00 O ATOM 636 CB SER A 37 -7.813 -4.207 -14.591 1.00 0.00 C ATOM 637 OG SER A 37 -8.102 -5.404 -13.889 1.00 0.00 O ATOM 0 H SER A 37 -7.345 -1.690 -12.891 1.00 0.00 H new ATOM 0 HA SER A 37 -5.943 -4.108 -13.536 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.713 -3.596 -14.659 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.510 -4.444 -15.611 1.00 0.00 H new ATOM 0 HG SER A 37 -7.666 -5.382 -13.012 1.00 0.00 H new ATOM 643 N GLU A 38 -5.411 -3.006 -15.908 1.00 0.00 N ATOM 644 CA GLU A 38 -4.748 -2.193 -16.921 1.00 0.00 C ATOM 645 C GLU A 38 -5.768 -1.519 -17.832 1.00 0.00 C ATOM 646 O GLU A 38 -5.566 -0.390 -18.278 1.00 0.00 O ATOM 647 CB GLU A 38 -3.796 -3.055 -17.752 1.00 0.00 C ATOM 648 CG GLU A 38 -2.578 -2.299 -18.259 1.00 0.00 C ATOM 649 CD GLU A 38 -2.217 -2.666 -19.685 1.00 0.00 C ATOM 650 OE1 GLU A 38 -3.132 -2.724 -20.533 1.00 0.00 O ATOM 651 OE2 GLU A 38 -1.019 -2.896 -19.953 1.00 0.00 O ATOM 0 H GLU A 38 -5.335 -4.012 -16.057 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.176 -1.418 -16.412 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.464 -3.900 -17.149 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.339 -3.465 -18.603 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.770 -1.228 -18.201 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.729 -2.507 -17.608 1.00 0.00 H new ATOM 658 N GLN A 39 -6.864 -2.219 -18.105 1.00 0.00 N ATOM 659 CA GLN A 39 -7.918 -1.688 -18.964 1.00 0.00 C ATOM 660 C GLN A 39 -8.464 -0.376 -18.410 1.00 0.00 C ATOM 661 O GLN A 39 -8.612 0.605 -19.139 1.00 0.00 O ATOM 662 CB GLN A 39 -9.051 -2.706 -19.107 1.00 0.00 C ATOM 663 CG GLN A 39 -9.617 -3.176 -17.777 1.00 0.00 C ATOM 664 CD GLN A 39 -10.128 -4.602 -17.832 1.00 0.00 C ATOM 665 OE1 GLN A 39 -11.324 -4.852 -17.683 1.00 0.00 O ATOM 666 NE2 GLN A 39 -9.221 -5.548 -18.047 1.00 0.00 N ATOM 0 H GLN A 39 -7.046 -3.155 -17.744 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.487 -1.495 -19.946 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.853 -2.264 -19.698 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.685 -3.570 -19.662 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.845 -3.100 -17.011 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.430 -2.514 -17.478 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.240 -5.296 -18.165 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.506 -6.526 -18.094 1.00 0.00 H new ATOM 675 N ASP A 40 -8.761 -0.366 -17.114 1.00 0.00 N ATOM 676 CA ASP A 40 -9.289 0.826 -16.460 1.00 0.00 C ATOM 677 C ASP A 40 -8.216 1.903 -16.342 1.00 0.00 C ATOM 678 O ASP A 40 -8.516 3.097 -16.350 1.00 0.00 O ATOM 679 CB ASP A 40 -9.830 0.474 -15.073 1.00 0.00 C ATOM 680 CG ASP A 40 -11.095 1.239 -14.734 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.268 2.360 -15.258 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.910 0.719 -13.944 1.00 0.00 O ATOM 0 H ASP A 40 -8.645 -1.170 -16.497 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.103 1.216 -17.072 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.032 -0.596 -15.026 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.068 0.688 -14.324 1.00 0.00 H new ATOM 687 N LYS A 41 -6.963 1.473 -16.235 1.00 0.00 N ATOM 688 CA LYS A 41 -5.842 2.401 -16.116 1.00 0.00 C ATOM 689 C LYS A 41 -5.781 3.335 -17.321 1.00 0.00 C ATOM 690 O LYS A 41 -5.713 4.556 -17.171 1.00 0.00 O ATOM 691 CB LYS A 41 -4.527 1.633 -15.985 1.00 0.00 C ATOM 692 CG LYS A 41 -3.514 2.312 -15.079 1.00 0.00 C ATOM 693 CD LYS A 41 -2.770 3.422 -15.806 1.00 0.00 C ATOM 694 CE LYS A 41 -1.429 2.938 -16.336 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.589 2.021 -17.498 1.00 0.00 N ATOM 0 H LYS A 41 -6.697 0.488 -16.228 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.993 3.002 -15.219 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.736 0.635 -15.599 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.089 1.507 -16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.023 2.724 -14.207 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.800 1.574 -14.712 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.378 3.789 -16.633 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.613 4.261 -15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.824 3.796 -16.631 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.888 2.425 -15.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.666 1.875 -17.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.961 1.107 -17.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.252 2.439 -18.182 1.00 0.00 H new ATOM 709 N GLU A 42 -5.806 2.754 -18.516 1.00 0.00 N ATOM 710 CA GLU A 42 -5.753 3.535 -19.747 1.00 0.00 C ATOM 711 C GLU A 42 -7.021 4.371 -19.925 1.00 0.00 C ATOM 712 O GLU A 42 -7.033 5.341 -20.681 1.00 0.00 O ATOM 713 CB GLU A 42 -5.566 2.612 -20.953 1.00 0.00 C ATOM 714 CG GLU A 42 -6.732 1.666 -21.183 1.00 0.00 C ATOM 715 CD GLU A 42 -6.648 0.951 -22.518 1.00 0.00 C ATOM 716 OE1 GLU A 42 -5.536 0.521 -22.890 1.00 0.00 O ATOM 717 OE2 GLU A 42 -7.692 0.821 -23.190 1.00 0.00 O ATOM 0 H GLU A 42 -5.863 1.746 -18.658 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.902 4.213 -19.677 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.421 3.220 -21.846 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.657 2.027 -20.815 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.760 0.928 -20.381 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.665 2.227 -21.133 1.00 0.00 H new ATOM 724 N GLN A 43 -8.086 3.989 -19.223 1.00 0.00 N ATOM 725 CA GLN A 43 -9.354 4.706 -19.308 1.00 0.00 C ATOM 726 C GLN A 43 -9.324 5.994 -18.486 1.00 0.00 C ATOM 727 O GLN A 43 -10.280 6.768 -18.500 1.00 0.00 O ATOM 728 CB GLN A 43 -10.500 3.812 -18.831 1.00 0.00 C ATOM 729 CG GLN A 43 -11.853 4.204 -19.398 1.00 0.00 C ATOM 730 CD GLN A 43 -12.232 3.391 -20.619 1.00 0.00 C ATOM 731 OE1 GLN A 43 -13.129 2.547 -20.565 1.00 0.00 O ATOM 732 NE2 GLN A 43 -11.549 3.638 -21.732 1.00 0.00 N ATOM 0 H GLN A 43 -8.095 3.189 -18.591 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.514 4.974 -20.352 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.284 2.780 -19.108 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.548 3.846 -17.743 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.616 4.076 -18.630 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.840 5.262 -19.660 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.814 4.345 -21.733 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.760 3.120 -22.585 1.00 0.00 H new ATOM 741 N SER A 44 -8.226 6.220 -17.768 1.00 0.00 N ATOM 742 CA SER A 44 -8.085 7.415 -16.945 1.00 0.00 C ATOM 743 C SER A 44 -9.155 7.459 -15.859 1.00 0.00 C ATOM 744 O SER A 44 -9.732 8.511 -15.583 1.00 0.00 O ATOM 745 CB SER A 44 -8.165 8.673 -17.812 1.00 0.00 C ATOM 746 OG SER A 44 -6.916 8.954 -18.421 1.00 0.00 O ATOM 0 H SER A 44 -7.423 5.591 -17.741 1.00 0.00 H new ATOM 0 HA SER A 44 -7.108 7.379 -16.463 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.926 8.541 -18.581 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.474 9.521 -17.200 1.00 0.00 H new ATOM 0 HG SER A 44 -6.994 9.761 -18.971 1.00 0.00 H new ATOM 752 N ASN A 45 -9.417 6.309 -15.244 1.00 0.00 N ATOM 753 CA ASN A 45 -10.417 6.217 -14.186 1.00 0.00 C ATOM 754 C ASN A 45 -9.826 5.569 -12.935 1.00 0.00 C ATOM 755 O ASN A 45 -10.137 4.422 -12.610 1.00 0.00 O ATOM 756 CB ASN A 45 -11.632 5.423 -14.674 1.00 0.00 C ATOM 757 CG ASN A 45 -12.932 6.174 -14.470 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.817 5.720 -13.745 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.053 7.332 -15.110 1.00 0.00 N ATOM 0 H ASN A 45 -8.950 5.428 -15.461 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.737 7.226 -13.928 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.511 5.193 -15.732 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.678 4.472 -14.144 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.906 7.883 -15.010 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.293 7.670 -15.701 1.00 0.00 H new ATOM 766 N PRO A 46 -8.960 6.301 -12.215 1.00 0.00 N ATOM 767 CA PRO A 46 -8.321 5.798 -10.994 1.00 0.00 C ATOM 768 C PRO A 46 -9.336 5.363 -9.941 1.00 0.00 C ATOM 769 O PRO A 46 -10.287 6.086 -9.647 1.00 0.00 O ATOM 770 CB PRO A 46 -7.513 6.996 -10.483 1.00 0.00 C ATOM 771 CG PRO A 46 -7.322 7.872 -11.673 1.00 0.00 C ATOM 772 CD PRO A 46 -8.536 7.674 -12.535 1.00 0.00 C ATOM 0 HA PRO A 46 -7.717 4.914 -11.195 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.045 7.520 -9.689 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.556 6.678 -10.070 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.221 8.916 -11.376 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.413 7.604 -12.212 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.316 8.400 -12.304 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.300 7.786 -13.593 1.00 0.00 H new ATOM 780 N TYR A 47 -9.121 4.182 -9.372 1.00 0.00 N ATOM 781 CA TYR A 47 -10.012 3.656 -8.344 1.00 0.00 C ATOM 782 C TYR A 47 -9.825 4.415 -7.035 1.00 0.00 C ATOM 783 O TYR A 47 -10.767 4.586 -6.261 1.00 0.00 O ATOM 784 CB TYR A 47 -9.749 2.165 -8.126 1.00 0.00 C ATOM 785 CG TYR A 47 -10.750 1.501 -7.207 1.00 0.00 C ATOM 786 CD1 TYR A 47 -11.941 0.988 -7.702 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.502 1.390 -5.845 1.00 0.00 C ATOM 788 CE1 TYR A 47 -12.859 0.382 -6.867 1.00 0.00 C ATOM 789 CE2 TYR A 47 -11.415 0.783 -5.001 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.591 0.282 -5.517 1.00 0.00 C ATOM 791 OH TYR A 47 -13.502 -0.322 -4.681 1.00 0.00 O ATOM 0 H TYR A 47 -8.338 3.571 -9.605 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.040 3.788 -8.680 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.762 1.658 -9.091 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.749 2.038 -7.712 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.153 1.064 -8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.582 1.784 -5.438 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -13.781 -0.011 -7.268 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.208 0.702 -3.944 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.160 -0.311 -3.763 1.00 0.00 H new ATOM 801 N MET A 48 -8.598 4.869 -6.796 1.00 0.00 N ATOM 802 CA MET A 48 -8.274 5.615 -5.585 1.00 0.00 C ATOM 803 C MET A 48 -6.926 6.311 -5.734 1.00 0.00 C ATOM 804 O MET A 48 -5.936 5.688 -6.107 1.00 0.00 O ATOM 805 CB MET A 48 -8.249 4.679 -4.375 1.00 0.00 C ATOM 806 CG MET A 48 -8.416 5.398 -3.047 1.00 0.00 C ATOM 807 SD MET A 48 -7.778 4.443 -1.656 1.00 0.00 S ATOM 808 CE MET A 48 -6.089 4.167 -2.179 1.00 0.00 C ATOM 0 H MET A 48 -7.809 4.732 -7.428 1.00 0.00 H new ATOM 0 HA MET A 48 -9.044 6.371 -5.430 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.043 3.940 -4.481 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.305 4.134 -4.367 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.901 6.358 -3.090 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.473 5.610 -2.883 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.414 4.356 -1.344 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.975 3.135 -2.511 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.848 4.842 -3.000 1.00 0.00 H new ATOM 818 N VAL A 49 -6.894 7.608 -5.448 1.00 0.00 N ATOM 819 CA VAL A 49 -5.660 8.378 -5.562 1.00 0.00 C ATOM 820 C VAL A 49 -5.297 9.050 -4.241 1.00 0.00 C ATOM 821 O VAL A 49 -6.134 9.687 -3.603 1.00 0.00 O ATOM 822 CB VAL A 49 -5.771 9.450 -6.664 1.00 0.00 C ATOM 823 CG1 VAL A 49 -6.863 10.454 -6.329 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.433 10.151 -6.865 1.00 0.00 C ATOM 0 H VAL A 49 -7.703 8.146 -5.137 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.872 7.673 -5.827 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.041 8.956 -7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.925 11.202 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.819 9.937 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.629 10.944 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.531 10.904 -7.647 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.130 10.631 -5.934 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.680 9.420 -7.158 1.00 0.00 H new ATOM 834 N LEU A 50 -4.037 8.906 -3.842 1.00 0.00 N ATOM 835 CA LEU A 50 -3.549 9.502 -2.603 1.00 0.00 C ATOM 836 C LEU A 50 -2.405 10.469 -2.888 1.00 0.00 C ATOM 837 O LEU A 50 -1.721 10.352 -3.904 1.00 0.00 O ATOM 838 CB LEU A 50 -3.078 8.415 -1.632 1.00 0.00 C ATOM 839 CG LEU A 50 -3.869 7.104 -1.685 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.011 5.984 -2.259 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.377 6.728 -0.301 1.00 0.00 C ATOM 0 H LEU A 50 -3.334 8.380 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.371 10.052 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.030 8.197 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.129 8.810 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.729 7.250 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.590 5.061 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.696 6.248 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.132 5.841 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.936 5.794 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.531 6.603 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.028 7.518 0.075 1.00 0.00 H new ATOM 853 N ASP A 51 -2.201 11.423 -1.987 1.00 0.00 N ATOM 854 CA ASP A 51 -1.136 12.407 -2.148 1.00 0.00 C ATOM 855 C ASP A 51 0.101 12.005 -1.353 1.00 0.00 C ATOM 856 O ASP A 51 0.049 11.873 -0.130 1.00 0.00 O ATOM 857 CB ASP A 51 -1.618 13.788 -1.700 1.00 0.00 C ATOM 858 CG ASP A 51 -2.666 14.365 -2.633 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.800 13.840 -2.650 1.00 0.00 O ATOM 860 OD2 ASP A 51 -2.352 15.341 -3.346 1.00 0.00 O ATOM 0 H ASP A 51 -2.757 11.536 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.869 12.447 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.031 13.717 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.767 14.468 -1.648 1.00 0.00 H new ATOM 865 N ILE A 52 1.216 11.811 -2.054 1.00 0.00 N ATOM 866 CA ILE A 52 2.467 11.425 -1.412 1.00 0.00 C ATOM 867 C ILE A 52 2.857 12.427 -0.329 1.00 0.00 C ATOM 868 O ILE A 52 3.341 12.047 0.737 1.00 0.00 O ATOM 869 CB ILE A 52 3.615 11.308 -2.437 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.245 10.303 -3.532 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.912 10.898 -1.746 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.374 10.013 -4.500 1.00 0.00 C ATOM 0 H ILE A 52 1.277 11.915 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 52 2.304 10.448 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 52 3.770 12.283 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.930 9.370 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.390 10.685 -4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.709 10.821 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.180 11.647 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.775 9.933 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.038 9.293 -5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.674 10.936 -4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.223 9.601 -3.955 1.00 0.00 H new ATOM 884 N ASP A 53 2.640 13.707 -0.609 1.00 0.00 N ATOM 885 CA ASP A 53 2.966 14.763 0.342 1.00 0.00 C ATOM 886 C ASP A 53 2.074 14.672 1.577 1.00 0.00 C ATOM 887 O ASP A 53 2.465 15.086 2.668 1.00 0.00 O ATOM 888 CB ASP A 53 2.809 16.135 -0.318 1.00 0.00 C ATOM 889 CG ASP A 53 3.181 17.272 0.614 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.570 17.375 1.699 1.00 0.00 O ATOM 891 OD2 ASP A 53 4.082 18.061 0.259 1.00 0.00 O ATOM 0 H ASP A 53 2.240 14.039 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 53 4.002 14.635 0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.435 16.180 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.777 16.261 -0.646 1.00 0.00 H new ATOM 896 N LYS A 54 0.874 14.129 1.397 1.00 0.00 N ATOM 897 CA LYS A 54 -0.073 13.984 2.496 1.00 0.00 C ATOM 898 C LYS A 54 0.337 12.852 3.435 1.00 0.00 C ATOM 899 O LYS A 54 -0.112 12.795 4.580 1.00 0.00 O ATOM 900 CB LYS A 54 -1.480 13.727 1.953 1.00 0.00 C ATOM 901 CG LYS A 54 -2.232 14.997 1.585 1.00 0.00 C ATOM 902 CD LYS A 54 -3.733 14.822 1.744 1.00 0.00 C ATOM 903 CE LYS A 54 -4.440 16.161 1.873 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.744 16.174 1.155 1.00 0.00 N ATOM 0 H LYS A 54 0.535 13.782 0.500 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.071 14.915 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.410 13.088 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.054 13.178 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.892 15.818 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.004 15.271 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.130 14.281 0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.938 14.215 2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.604 16.384 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.800 16.949 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.193 17.105 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.586 15.986 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.365 15.440 1.550 1.00 0.00 H new ATOM 918 N LEU A 55 1.187 11.952 2.949 1.00 0.00 N ATOM 919 CA LEU A 55 1.649 10.825 3.754 1.00 0.00 C ATOM 920 C LEU A 55 2.232 11.302 5.080 1.00 0.00 C ATOM 921 O LEU A 55 2.723 12.427 5.186 1.00 0.00 O ATOM 922 CB LEU A 55 2.702 10.017 2.991 1.00 0.00 C ATOM 923 CG LEU A 55 2.229 9.410 1.668 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.278 8.457 1.116 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.901 8.692 1.852 1.00 0.00 C ATOM 0 H LEU A 55 1.569 11.981 2.004 1.00 0.00 H new ATOM 0 HA LEU A 55 0.788 10.189 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.557 10.663 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.055 9.212 3.635 1.00 0.00 H new ATOM 0 HG LEU A 55 2.084 10.218 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.926 8.034 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.208 8.999 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.453 7.654 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.582 8.268 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.018 7.893 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.150 9.400 2.203 1.00 0.00 H new ATOM 937 N PHE A 56 2.175 10.439 6.089 1.00 0.00 N ATOM 938 CA PHE A 56 2.699 10.772 7.407 1.00 0.00 C ATOM 939 C PHE A 56 3.901 9.897 7.748 1.00 0.00 C ATOM 940 O PHE A 56 4.862 10.361 8.363 1.00 0.00 O ATOM 941 CB PHE A 56 1.612 10.602 8.470 1.00 0.00 C ATOM 942 CG PHE A 56 0.661 11.762 8.547 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.131 13.046 8.769 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.703 11.567 8.397 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.258 14.116 8.841 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.580 12.632 8.467 1.00 0.00 C ATOM 947 CZ PHE A 56 -1.099 13.909 8.689 1.00 0.00 C ATOM 0 H PHE A 56 1.771 9.505 6.019 1.00 0.00 H new ATOM 0 HA PHE A 56 3.021 11.813 7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.048 9.694 8.259 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.085 10.465 9.443 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.191 13.213 8.887 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.084 10.572 8.224 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.637 15.112 9.016 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.641 12.467 8.348 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.783 14.743 8.743 1.00 0.00 H new ATOM 957 N HIS A 57 3.843 8.632 7.345 1.00 0.00 N ATOM 958 CA HIS A 57 4.932 7.697 7.610 1.00 0.00 C ATOM 959 C HIS A 57 4.655 6.335 6.980 1.00 0.00 C ATOM 960 O HIS A 57 3.535 5.828 7.037 1.00 0.00 O ATOM 961 CB HIS A 57 5.140 7.539 9.117 1.00 0.00 C ATOM 962 CG HIS A 57 6.488 7.001 9.481 1.00 0.00 C ATOM 963 ND1 HIS A 57 6.802 5.659 9.431 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.609 7.632 9.903 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.057 5.488 9.808 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.570 6.669 10.098 1.00 0.00 N ATOM 0 H HIS A 57 3.056 8.231 6.835 1.00 0.00 H new ATOM 0 HA HIS A 57 5.839 8.104 7.162 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.002 8.507 9.598 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.373 6.874 9.514 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.726 8.694 10.058 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.575 4.542 9.869 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.524 6.839 10.415 1.00 0.00 H new ATOM 975 N VAL A 58 5.687 5.746 6.386 1.00 0.00 N ATOM 976 CA VAL A 58 5.565 4.439 5.751 1.00 0.00 C ATOM 977 C VAL A 58 6.556 3.449 6.356 1.00 0.00 C ATOM 978 O VAL A 58 7.743 3.752 6.487 1.00 0.00 O ATOM 979 CB VAL A 58 5.805 4.524 4.232 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.521 3.185 3.570 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.955 5.627 3.614 1.00 0.00 C ATOM 0 H VAL A 58 6.620 6.154 6.331 1.00 0.00 H new ATOM 0 HA VAL A 58 4.547 4.092 5.928 1.00 0.00 H new ATOM 0 HB VAL A 58 6.853 4.771 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.696 3.265 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.180 2.425 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.483 2.904 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.139 5.670 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.900 5.417 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.216 6.584 4.066 1.00 0.00 H new ATOM 991 N ARG A 59 6.068 2.270 6.725 1.00 0.00 N ATOM 992 CA ARG A 59 6.922 1.246 7.318 1.00 0.00 C ATOM 993 C ARG A 59 6.260 -0.128 7.259 1.00 0.00 C ATOM 994 O ARG A 59 5.036 -0.235 7.184 1.00 0.00 O ATOM 995 CB ARG A 59 7.247 1.606 8.769 1.00 0.00 C ATOM 996 CG ARG A 59 6.021 1.954 9.599 1.00 0.00 C ATOM 997 CD ARG A 59 5.905 1.066 10.828 1.00 0.00 C ATOM 998 NE ARG A 59 6.389 1.735 12.034 1.00 0.00 N ATOM 999 CZ ARG A 59 6.142 1.307 13.269 1.00 0.00 C ATOM 1000 NH1 ARG A 59 5.418 0.212 13.467 1.00 0.00 N ATOM 1001 NH2 ARG A 59 6.620 1.975 14.310 1.00 0.00 N ATOM 0 H ARG A 59 5.090 2.000 6.625 1.00 0.00 H new ATOM 0 HA ARG A 59 7.846 1.204 6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.765 0.768 9.235 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.935 2.452 8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.075 2.998 9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.125 1.848 8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.864 0.775 10.968 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.474 0.150 10.668 1.00 0.00 H new ATOM 0 HE ARG A 59 6.949 2.580 11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.048 -0.306 12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.232 -0.112 14.416 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.177 2.817 14.164 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.431 1.647 15.257 1.00 0.00 H new ATOM 1015 N PRO A 60 7.066 -1.204 7.298 1.00 0.00 N ATOM 1016 CA PRO A 60 6.555 -2.578 7.253 1.00 0.00 C ATOM 1017 C PRO A 60 5.724 -2.925 8.483 1.00 0.00 C ATOM 1018 O PRO A 60 5.755 -2.213 9.486 1.00 0.00 O ATOM 1019 CB PRO A 60 7.823 -3.436 7.205 1.00 0.00 C ATOM 1020 CG PRO A 60 8.891 -2.573 7.782 1.00 0.00 C ATOM 1021 CD PRO A 60 8.537 -1.167 7.391 1.00 0.00 C ATOM 0 HA PRO A 60 5.890 -2.735 6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.702 -4.353 7.781 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.062 -3.731 6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.935 -2.678 8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.871 -2.852 7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.876 -0.445 8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.994 -0.886 6.442 1.00 0.00 H new ATOM 1029 N VAL A 61 4.981 -4.025 8.401 1.00 0.00 N ATOM 1030 CA VAL A 61 4.144 -4.464 9.510 1.00 0.00 C ATOM 1031 C VAL A 61 4.772 -5.649 10.238 1.00 0.00 C ATOM 1032 O VAL A 61 5.818 -6.153 9.834 1.00 0.00 O ATOM 1033 CB VAL A 61 2.731 -4.852 9.031 1.00 0.00 C ATOM 1034 CG1 VAL A 61 2.052 -3.673 8.355 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.789 -6.052 8.096 1.00 0.00 C ATOM 0 H VAL A 61 4.942 -4.627 7.579 1.00 0.00 H new ATOM 0 HA VAL A 61 4.064 -3.623 10.198 1.00 0.00 H new ATOM 0 HB VAL A 61 2.139 -5.131 9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.056 -3.967 8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.970 -2.846 9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.642 -3.358 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.781 -6.308 7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.400 -5.807 7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.228 -6.901 8.620 1.00 0.00 H new ATOM 1045 N THR A 62 4.124 -6.088 11.312 1.00 0.00 N ATOM 1046 CA THR A 62 4.620 -7.215 12.095 1.00 0.00 C ATOM 1047 C THR A 62 3.509 -8.227 12.356 1.00 0.00 C ATOM 1048 O THR A 62 2.398 -8.090 11.843 1.00 0.00 O ATOM 1049 CB THR A 62 5.201 -6.725 13.422 1.00 0.00 C ATOM 1050 OG1 THR A 62 4.186 -6.171 14.239 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.279 -5.677 13.254 1.00 0.00 C ATOM 0 H THR A 62 3.256 -5.682 11.660 1.00 0.00 H new ATOM 0 HA THR A 62 5.406 -7.705 11.521 1.00 0.00 H new ATOM 0 HB THR A 62 5.644 -7.606 13.886 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.577 -5.865 15.084 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.647 -5.374 14.234 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.101 -6.091 12.670 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.867 -4.810 12.737 1.00 0.00 H new ATOM 1059 N GLN A 63 3.817 -9.242 13.156 1.00 0.00 N ATOM 1060 CA GLN A 63 2.844 -10.277 13.486 1.00 0.00 C ATOM 1061 C GLN A 63 1.658 -9.698 14.254 1.00 0.00 C ATOM 1062 O GLN A 63 0.602 -10.322 14.342 1.00 0.00 O ATOM 1063 CB GLN A 63 3.506 -11.384 14.310 1.00 0.00 C ATOM 1064 CG GLN A 63 2.680 -12.658 14.391 1.00 0.00 C ATOM 1065 CD GLN A 63 2.949 -13.602 13.236 1.00 0.00 C ATOM 1066 OE1 GLN A 63 4.071 -14.077 13.055 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.919 -13.880 12.446 1.00 0.00 N ATOM 0 H GLN A 63 4.732 -9.370 13.588 1.00 0.00 H new ATOM 0 HA GLN A 63 2.473 -10.697 12.551 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.478 -11.618 13.875 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.689 -11.015 15.319 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.896 -13.168 15.330 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.621 -12.400 14.405 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.006 -13.464 12.633 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.040 -14.509 11.652 1.00 0.00 H new ATOM 1076 N THR A 64 1.838 -8.503 14.811 1.00 0.00 N ATOM 1077 CA THR A 64 0.778 -7.849 15.569 1.00 0.00 C ATOM 1078 C THR A 64 -0.236 -7.187 14.639 1.00 0.00 C ATOM 1079 O THR A 64 -1.386 -6.963 15.019 1.00 0.00 O ATOM 1080 CB THR A 64 1.371 -6.807 16.518 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.780 -5.654 15.803 1.00 0.00 O ATOM 1082 CG2 THR A 64 2.567 -7.314 17.295 1.00 0.00 C ATOM 0 H THR A 64 2.706 -7.970 14.751 1.00 0.00 H new ATOM 0 HA THR A 64 0.262 -8.612 16.151 1.00 0.00 H new ATOM 0 HB THR A 64 0.574 -6.573 17.224 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.589 -5.858 15.289 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.938 -6.524 17.948 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.272 -8.174 17.896 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.354 -7.609 16.601 1.00 0.00 H new ATOM 1090 N ASP A 65 0.196 -6.875 13.420 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.676 -6.238 12.440 1.00 0.00 C ATOM 1092 C ASP A 65 -1.788 -7.183 11.993 1.00 0.00 C ATOM 1093 O ASP A 65 -2.900 -6.750 11.697 1.00 0.00 O ATOM 1094 CB ASP A 65 0.138 -5.778 11.230 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.332 -4.441 10.690 1.00 0.00 C ATOM 1096 OD1 ASP A 65 0.087 -3.400 11.237 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -1.118 -4.437 9.719 1.00 0.00 O ATOM 0 H ASP A 65 1.144 -7.053 13.088 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.137 -5.371 12.913 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.189 -5.704 11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.069 -6.529 10.443 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.480 -8.475 11.944 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.455 -9.476 11.531 1.00 0.00 C ATOM 1104 C VAL A 66 -2.235 -10.794 12.263 1.00 0.00 C ATOM 1105 O VAL A 66 -1.150 -11.059 12.780 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.403 -9.734 10.011 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -3.329 -8.777 9.279 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.978 -9.617 9.488 1.00 0.00 C ATOM 0 H VAL A 66 -0.564 -8.852 12.185 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.436 -9.076 11.787 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.744 -10.752 9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.281 -8.972 8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.351 -8.921 9.628 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.020 -7.750 9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.968 -9.803 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.599 -8.614 9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.345 -10.350 9.989 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.276 -11.614 12.302 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.210 -12.908 12.970 1.00 0.00 C ATOM 1120 C TYR A 67 -3.478 -14.043 11.987 1.00 0.00 C ATOM 1121 O TYR A 67 -2.706 -14.998 11.901 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.221 -12.960 14.115 1.00 0.00 C ATOM 1123 CG TYR A 67 -5.608 -12.510 13.714 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -5.913 -11.160 13.595 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -6.610 -13.435 13.452 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.178 -10.745 13.225 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -7.878 -13.027 13.081 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.156 -11.682 12.969 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.417 -11.272 12.600 1.00 0.00 O ATOM 0 H TYR A 67 -4.180 -11.406 11.878 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.205 -13.033 13.373 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.274 -13.980 14.496 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.866 -12.332 14.932 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.149 -10.423 13.795 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.396 -14.490 13.539 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.399 -9.692 13.137 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.647 -13.759 12.880 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.987 -12.056 12.455 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.578 -13.934 11.247 1.00 0.00 N ATOM 1140 CA ARG A 68 -4.946 -14.952 10.269 1.00 0.00 C ATOM 1141 C ARG A 68 -3.874 -15.087 9.192 1.00 0.00 C ATOM 1142 O ARG A 68 -3.718 -16.149 8.588 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.290 -14.606 9.626 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.301 -13.261 8.918 1.00 0.00 C ATOM 1145 CD ARG A 68 -6.920 -12.176 9.787 1.00 0.00 C ATOM 1146 NE ARG A 68 -8.267 -11.824 9.343 1.00 0.00 N ATOM 1147 CZ ARG A 68 -8.888 -10.697 9.684 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -8.290 -9.812 10.471 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -10.114 -10.455 9.236 1.00 0.00 N ATOM 0 H ARG A 68 -5.229 -13.151 11.306 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.033 -15.906 10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.552 -15.385 8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.062 -14.608 10.396 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.281 -12.979 8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.860 -13.344 7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.956 -12.517 10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.287 -11.289 9.765 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.760 -12.480 8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.348 -9.993 10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.772 -8.951 10.728 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.579 -11.132 8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.591 -9.592 9.496 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.136 -14.006 8.957 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.078 -14.004 7.954 1.00 0.00 C ATOM 1165 C ALA A 69 -1.052 -15.098 8.234 1.00 0.00 C ATOM 1166 O ALA A 69 -1.280 -15.978 9.064 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.402 -12.642 7.907 1.00 0.00 C ATOM 0 H ALA A 69 -3.252 -13.120 9.448 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.530 -14.208 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.614 -12.653 7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.138 -11.879 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.970 -12.417 8.882 1.00 0.00 H new ATOM 1173 N ASP A 70 0.078 -15.037 7.537 1.00 0.00 N ATOM 1174 CA ASP A 70 1.138 -16.025 7.713 1.00 0.00 C ATOM 1175 C ASP A 70 2.463 -15.345 8.042 1.00 0.00 C ATOM 1176 O ASP A 70 2.794 -14.304 7.478 1.00 0.00 O ATOM 1177 CB ASP A 70 1.286 -16.874 6.448 1.00 0.00 C ATOM 1178 CG ASP A 70 1.747 -18.286 6.752 1.00 0.00 C ATOM 1179 OD1 ASP A 70 1.201 -18.898 7.694 1.00 0.00 O ATOM 1180 OD2 ASP A 70 2.653 -18.779 6.048 1.00 0.00 O ATOM 0 H ASP A 70 0.284 -14.315 6.846 1.00 0.00 H new ATOM 0 HA ASP A 70 0.865 -16.672 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.331 -16.911 5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.000 -16.398 5.775 1.00 0.00 H new ATOM 1185 N ALA A 71 3.215 -15.942 8.962 1.00 0.00 N ATOM 1186 CA ALA A 71 4.506 -15.398 9.374 1.00 0.00 C ATOM 1187 C ALA A 71 5.381 -15.062 8.170 1.00 0.00 C ATOM 1188 O ALA A 71 6.233 -14.177 8.238 1.00 0.00 O ATOM 1189 CB ALA A 71 5.222 -16.381 10.290 1.00 0.00 C ATOM 0 H ALA A 71 2.952 -16.805 9.438 1.00 0.00 H new ATOM 0 HA ALA A 71 4.321 -14.472 9.919 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.183 -15.964 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.613 -16.563 11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.383 -17.320 9.761 1.00 0.00 H new ATOM 1195 N LYS A 72 5.166 -15.775 7.070 1.00 0.00 N ATOM 1196 CA LYS A 72 5.937 -15.552 5.853 1.00 0.00 C ATOM 1197 C LYS A 72 5.474 -14.286 5.138 1.00 0.00 C ATOM 1198 O LYS A 72 6.268 -13.600 4.495 1.00 0.00 O ATOM 1199 CB LYS A 72 5.814 -16.757 4.918 1.00 0.00 C ATOM 1200 CG LYS A 72 6.134 -18.083 5.588 1.00 0.00 C ATOM 1201 CD LYS A 72 7.590 -18.153 6.022 1.00 0.00 C ATOM 1202 CE LYS A 72 7.833 -19.319 6.967 1.00 0.00 C ATOM 1203 NZ LYS A 72 8.966 -19.052 7.897 1.00 0.00 N ATOM 0 H LYS A 72 4.465 -16.512 6.996 1.00 0.00 H new ATOM 0 HA LYS A 72 6.983 -15.425 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.800 -16.796 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.484 -16.617 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.488 -18.218 6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.919 -18.900 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.228 -18.255 5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.870 -17.221 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.928 -19.514 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.043 -20.218 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.100 -19.870 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.835 -18.891 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.755 -18.209 8.468 1.00 0.00 H new ATOM 1217 N GLU A 73 4.183 -13.987 5.250 1.00 0.00 N ATOM 1218 CA GLU A 73 3.613 -12.804 4.612 1.00 0.00 C ATOM 1219 C GLU A 73 3.897 -11.541 5.421 1.00 0.00 C ATOM 1220 O GLU A 73 4.056 -10.457 4.859 1.00 0.00 O ATOM 1221 CB GLU A 73 2.103 -12.976 4.433 1.00 0.00 C ATOM 1222 CG GLU A 73 1.716 -14.284 3.764 1.00 0.00 C ATOM 1223 CD GLU A 73 2.153 -14.349 2.315 1.00 0.00 C ATOM 1224 OE1 GLU A 73 1.565 -13.628 1.483 1.00 0.00 O ATOM 1225 OE2 GLU A 73 3.086 -15.123 2.010 1.00 0.00 O ATOM 0 H GLU A 73 3.512 -14.547 5.776 1.00 0.00 H new ATOM 0 HA GLU A 73 4.084 -12.694 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.621 -12.920 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.719 -12.146 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.162 -15.114 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.635 -14.410 3.820 1.00 0.00 H new ATOM 1232 N ILE A 74 3.954 -11.685 6.744 1.00 0.00 N ATOM 1233 CA ILE A 74 4.212 -10.552 7.633 1.00 0.00 C ATOM 1234 C ILE A 74 5.351 -9.668 7.119 1.00 0.00 C ATOM 1235 O ILE A 74 5.193 -8.452 7.006 1.00 0.00 O ATOM 1236 CB ILE A 74 4.539 -11.020 9.067 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.465 -11.987 9.575 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.661 -9.826 10.001 1.00 0.00 C ATOM 1239 CD1 ILE A 74 2.053 -11.463 9.426 1.00 0.00 C ATOM 0 H ILE A 74 3.825 -12.575 7.225 1.00 0.00 H new ATOM 0 HA ILE A 74 3.295 -9.964 7.650 1.00 0.00 H new ATOM 0 HB ILE A 74 5.494 -11.544 9.048 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.552 -12.929 9.034 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.653 -12.205 10.626 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.892 -10.174 11.008 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.459 -9.171 9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.720 -9.276 10.014 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.348 -12.202 9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.947 -10.536 9.990 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.845 -11.272 8.373 1.00 0.00 H new ATOM 1251 N PRO A 75 6.518 -10.258 6.799 1.00 0.00 N ATOM 1252 CA PRO A 75 7.671 -9.499 6.298 1.00 0.00 C ATOM 1253 C PRO A 75 7.466 -8.974 4.878 1.00 0.00 C ATOM 1254 O PRO A 75 8.302 -8.238 4.357 1.00 0.00 O ATOM 1255 CB PRO A 75 8.808 -10.520 6.327 1.00 0.00 C ATOM 1256 CG PRO A 75 8.133 -11.838 6.188 1.00 0.00 C ATOM 1257 CD PRO A 75 6.813 -11.703 6.898 1.00 0.00 C ATOM 0 HA PRO A 75 7.857 -8.609 6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.515 -10.349 5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.371 -10.459 7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.987 -12.093 5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.734 -12.633 6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.038 -12.305 6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.880 -12.030 7.936 1.00 0.00 H new ATOM 1265 N ARG A 76 6.354 -9.356 4.251 1.00 0.00 N ATOM 1266 CA ARG A 76 6.059 -8.918 2.890 1.00 0.00 C ATOM 1267 C ARG A 76 4.894 -7.928 2.862 1.00 0.00 C ATOM 1268 O ARG A 76 4.419 -7.551 1.791 1.00 0.00 O ATOM 1269 CB ARG A 76 5.735 -10.122 1.998 1.00 0.00 C ATOM 1270 CG ARG A 76 6.491 -11.386 2.372 1.00 0.00 C ATOM 1271 CD ARG A 76 6.898 -12.183 1.143 1.00 0.00 C ATOM 1272 NE ARG A 76 6.550 -13.598 1.268 1.00 0.00 N ATOM 1273 CZ ARG A 76 7.139 -14.573 0.580 1.00 0.00 C ATOM 1274 NH1 ARG A 76 8.109 -14.294 -0.283 1.00 0.00 N ATOM 1275 NH2 ARG A 76 6.760 -15.831 0.757 1.00 0.00 N ATOM 0 H ARG A 76 5.647 -9.965 4.662 1.00 0.00 H new ATOM 0 HA ARG A 76 6.947 -8.414 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.665 -10.322 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.963 -9.867 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.380 -11.122 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.868 -12.005 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.410 -11.766 0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.973 -12.086 0.988 1.00 0.00 H new ATOM 0 HE ARG A 76 5.811 -13.853 1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.406 -13.328 -0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.557 -15.046 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.017 -16.051 1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.211 -16.579 0.230 1.00 0.00 H new ATOM 1289 N ILE A 77 4.437 -7.510 4.040 1.00 0.00 N ATOM 1290 CA ILE A 77 3.327 -6.567 4.136 1.00 0.00 C ATOM 1291 C ILE A 77 3.776 -5.248 4.760 1.00 0.00 C ATOM 1292 O ILE A 77 4.417 -5.233 5.811 1.00 0.00 O ATOM 1293 CB ILE A 77 2.168 -7.156 4.967 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.707 -8.481 4.356 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.010 -6.172 5.048 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.909 -9.348 5.306 1.00 0.00 C ATOM 0 H ILE A 77 4.817 -7.809 4.938 1.00 0.00 H new ATOM 0 HA ILE A 77 2.978 -6.378 3.121 1.00 0.00 H new ATOM 0 HB ILE A 77 2.524 -7.342 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.101 -8.272 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.581 -9.038 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.203 -6.607 5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.349 -5.250 5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.647 -5.953 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.618 -10.269 4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.518 -9.589 6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.015 -8.811 5.625 1.00 0.00 H new ATOM 1308 N PHE A 78 3.433 -4.141 4.105 1.00 0.00 N ATOM 1309 CA PHE A 78 3.801 -2.818 4.597 1.00 0.00 C ATOM 1310 C PHE A 78 2.575 -1.914 4.701 1.00 0.00 C ATOM 1311 O PHE A 78 1.615 -2.064 3.945 1.00 0.00 O ATOM 1312 CB PHE A 78 4.852 -2.178 3.686 1.00 0.00 C ATOM 1313 CG PHE A 78 4.472 -2.169 2.231 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.621 -3.305 1.454 1.00 0.00 C ATOM 1315 CD2 PHE A 78 3.969 -1.019 1.643 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.276 -3.296 0.116 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.622 -1.005 0.305 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.776 -2.145 -0.460 1.00 0.00 C ATOM 0 H PHE A 78 2.902 -4.135 3.234 1.00 0.00 H new ATOM 0 HA PHE A 78 4.226 -2.937 5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.026 -1.153 4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.794 -2.714 3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.011 -4.209 1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.847 -0.125 2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.397 -4.189 -0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.231 -0.103 -0.142 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.506 -2.136 -1.506 1.00 0.00 H new ATOM 1328 N GLN A 79 2.614 -0.979 5.647 1.00 0.00 N ATOM 1329 CA GLN A 79 1.505 -0.054 5.856 1.00 0.00 C ATOM 1330 C GLN A 79 1.925 1.384 5.562 1.00 0.00 C ATOM 1331 O GLN A 79 3.068 1.773 5.807 1.00 0.00 O ATOM 1332 CB GLN A 79 0.989 -0.166 7.293 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.120 0.821 7.625 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.419 0.883 9.110 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -0.081 1.857 9.783 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -1.058 -0.159 9.630 1.00 0.00 N ATOM 0 H GLN A 79 3.402 -0.842 6.280 1.00 0.00 H new ATOM 0 HA GLN A 79 0.706 -0.323 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.623 -1.179 7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.820 -0.010 7.981 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.164 1.813 7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.025 0.539 7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.320 -0.945 9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.287 -0.173 10.624 1.00 0.00 H new ATOM 1345 N ILE A 80 0.987 2.168 5.039 1.00 0.00 N ATOM 1346 CA ILE A 80 1.248 3.566 4.711 1.00 0.00 C ATOM 1347 C ILE A 80 0.155 4.473 5.273 1.00 0.00 C ATOM 1348 O ILE A 80 -1.005 4.380 4.876 1.00 0.00 O ATOM 1349 CB ILE A 80 1.340 3.776 3.185 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.403 2.854 2.582 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.650 5.233 2.862 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.914 2.079 1.378 1.00 0.00 C ATOM 0 H ILE A 80 0.037 1.858 4.833 1.00 0.00 H new ATOM 0 HA ILE A 80 2.204 3.827 5.165 1.00 0.00 H new ATOM 0 HB ILE A 80 0.375 3.526 2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.269 3.450 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.739 2.152 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.711 5.361 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.859 5.870 3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.602 5.511 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.718 1.446 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.067 1.457 1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.605 2.775 0.598 1.00 0.00 H new ATOM 1364 N LEU A 81 0.537 5.350 6.196 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.411 6.276 6.809 1.00 0.00 C ATOM 1366 C LEU A 81 -0.502 7.567 6.005 1.00 0.00 C ATOM 1367 O LEU A 81 0.511 8.097 5.546 1.00 0.00 O ATOM 1368 CB LEU A 81 0.003 6.586 8.249 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.893 7.590 8.978 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -2.086 6.885 9.606 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.099 8.343 10.035 1.00 0.00 C ATOM 0 H LEU A 81 1.495 5.439 6.536 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.392 5.802 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.016 5.655 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.023 6.970 8.243 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.266 8.310 8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.711 7.615 10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.669 6.392 8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.734 6.142 10.321 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.752 9.053 10.543 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.303 7.636 10.760 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.721 8.881 9.559 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.720 8.068 5.834 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.942 9.298 5.081 1.00 0.00 C ATOM 1385 C TYR A 82 -3.147 10.059 5.621 1.00 0.00 C ATOM 1386 O TYR A 82 -4.128 9.459 6.062 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.150 8.981 3.599 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.067 7.803 3.354 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.669 6.512 3.674 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.330 7.982 2.805 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.502 5.433 3.452 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.169 6.907 2.581 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.751 5.635 2.906 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.585 4.564 2.685 1.00 0.00 O ATOM 0 H TYR A 82 -2.569 7.642 6.206 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.058 9.926 5.193 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.561 9.860 3.102 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.182 8.779 3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.692 6.349 4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.662 8.977 2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.176 4.435 3.705 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.148 7.063 2.153 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.427 4.880 2.297 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.066 11.385 5.583 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.149 12.230 6.066 1.00 0.00 C ATOM 1406 C ALA A 83 -5.327 12.221 5.097 1.00 0.00 C ATOM 1407 O ALA A 83 -5.180 12.565 3.924 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.653 13.652 6.281 1.00 0.00 C ATOM 0 H ALA A 83 -2.261 11.897 5.222 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.492 11.828 7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.473 14.273 6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.849 13.649 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.281 14.054 5.339 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.493 11.823 5.594 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.694 11.769 4.771 1.00 0.00 C ATOM 1416 C ASN A 84 -8.541 13.026 4.955 1.00 0.00 C ATOM 1417 O ASN A 84 -9.070 13.577 3.988 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.515 10.519 5.112 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.304 10.664 6.401 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.433 11.153 6.398 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.711 10.238 7.508 1.00 0.00 N ATOM 0 H ASN A 84 -6.631 11.533 6.562 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.388 11.717 3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.202 10.307 4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.846 9.663 5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.193 10.309 8.404 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.773 9.839 7.463 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.667 13.472 6.200 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.452 14.662 6.511 1.00 0.00 C ATOM 1430 C GLU A 85 -8.626 15.671 7.301 1.00 0.00 C ATOM 1431 O GLU A 85 -8.611 16.861 6.983 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.703 14.279 7.304 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.790 13.639 6.456 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.779 14.653 5.915 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -12.995 15.686 6.584 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.335 14.416 4.823 1.00 0.00 O ATOM 0 H GLU A 85 -8.236 13.028 7.011 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.751 15.124 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.421 13.589 8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.106 15.171 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.330 13.106 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.323 12.899 7.053 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.939 15.190 8.331 1.00 0.00 N ATOM 1444 CA GLY A 86 -7.120 16.062 9.150 1.00 0.00 C ATOM 1445 C GLY A 86 -5.793 15.435 9.523 1.00 0.00 C ATOM 1446 O GLY A 86 -4.846 15.459 8.738 1.00 0.00 O ATOM 0 H GLY A 86 -7.935 14.210 8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.939 16.994 8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.665 16.318 10.059 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.722 14.872 10.726 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.499 14.236 11.200 1.00 0.00 C ATOM 1452 C ILE A 87 -4.804 12.921 11.910 1.00 0.00 C ATOM 1453 O ILE A 87 -4.446 11.846 11.427 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.714 15.151 12.164 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.858 16.619 11.755 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -2.248 14.748 12.197 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -5.033 17.315 12.407 1.00 0.00 C ATOM 0 H ILE A 87 -6.497 14.844 11.389 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.888 14.044 10.318 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.130 15.034 13.165 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.942 17.151 12.012 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.967 16.677 10.672 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.706 15.402 12.881 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.162 13.716 12.537 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.824 14.837 11.197 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.074 18.351 12.072 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.957 16.807 12.129 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.916 17.288 13.490 1.00 0.00 H new ATOM 1469 N SER A 88 -5.464 13.014 13.060 1.00 0.00 N ATOM 1470 CA SER A 88 -5.816 11.833 13.839 1.00 0.00 C ATOM 1471 C SER A 88 -6.684 10.879 13.026 1.00 0.00 C ATOM 1472 O SER A 88 -6.629 9.663 13.212 1.00 0.00 O ATOM 1473 CB SER A 88 -6.547 12.240 15.120 1.00 0.00 C ATOM 1474 OG SER A 88 -7.165 11.121 15.732 1.00 0.00 O ATOM 0 H SER A 88 -5.766 13.896 13.473 1.00 0.00 H new ATOM 0 HA SER A 88 -4.893 11.317 14.103 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.842 12.696 15.815 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.300 12.994 14.889 1.00 0.00 H new ATOM 0 HG SER A 88 -7.624 11.407 16.549 1.00 0.00 H new ATOM 1480 N SER A 89 -7.484 11.436 12.125 1.00 0.00 N ATOM 1481 CA SER A 89 -8.365 10.632 11.283 1.00 0.00 C ATOM 1482 C SER A 89 -7.578 9.925 10.183 1.00 0.00 C ATOM 1483 O SER A 89 -8.041 8.930 9.623 1.00 0.00 O ATOM 1484 CB SER A 89 -9.452 11.512 10.663 1.00 0.00 C ATOM 1485 OG SER A 89 -10.234 12.141 11.663 1.00 0.00 O ATOM 0 H SER A 89 -7.542 12.441 11.958 1.00 0.00 H new ATOM 0 HA SER A 89 -8.832 9.874 11.911 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.992 12.269 10.027 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.094 10.906 10.024 1.00 0.00 H new ATOM 0 HG SER A 89 -10.920 12.699 11.240 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.389 10.445 9.876 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.531 9.871 8.841 1.00 0.00 C ATOM 1493 C ALA A 90 -5.541 8.345 8.881 1.00 0.00 C ATOM 1494 O ALA A 90 -5.145 7.737 9.875 1.00 0.00 O ATOM 1495 CB ALA A 90 -4.110 10.391 8.992 1.00 0.00 C ATOM 0 H ALA A 90 -5.997 11.268 10.333 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.927 10.179 7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.479 9.957 8.216 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.108 11.477 8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.723 10.112 9.972 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.997 7.735 7.791 1.00 0.00 N ATOM 1502 CA LYS A 91 -6.060 6.282 7.698 1.00 0.00 C ATOM 1503 C LYS A 91 -4.753 5.717 7.154 1.00 0.00 C ATOM 1504 O LYS A 91 -3.820 6.461 6.856 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.224 5.859 6.800 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.557 6.467 7.205 1.00 0.00 C ATOM 1507 CD LYS A 91 -9.002 5.975 8.573 1.00 0.00 C ATOM 1508 CE LYS A 91 -10.177 5.014 8.468 1.00 0.00 C ATOM 1509 NZ LYS A 91 -11.473 5.735 8.332 1.00 0.00 N ATOM 0 H LYS A 91 -6.328 8.225 6.960 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.219 5.884 8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.001 6.145 5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.309 4.772 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.473 7.554 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.314 6.214 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.169 5.479 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.282 6.827 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.034 4.358 7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.206 4.378 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.248 5.045 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.622 6.342 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.455 6.322 7.474 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.697 4.397 7.025 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.504 3.731 6.515 1.00 0.00 C ATOM 1525 C ASN A 92 -3.867 2.742 5.411 1.00 0.00 C ATOM 1526 O ASN A 92 -5.029 2.367 5.259 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.762 3.008 7.643 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.694 2.440 8.699 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.677 1.656 8.267 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.533 2.703 9.890 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.462 3.767 7.266 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.847 4.494 6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.167 2.199 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.066 3.701 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.765 3.309 10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.167 2.315 10.588 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.867 2.324 4.643 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.084 1.380 3.554 1.00 0.00 C ATOM 1539 C LEU A 93 -2.145 0.186 3.675 1.00 0.00 C ATOM 1540 O LEU A 93 -0.926 0.329 3.576 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.881 2.071 2.201 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.085 2.010 1.258 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.234 3.319 0.498 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.947 0.843 0.293 1.00 0.00 C ATOM 0 H LEU A 93 -1.899 2.624 4.755 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.111 1.020 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.629 3.117 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.025 1.617 1.703 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.984 1.857 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.095 3.257 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.380 4.136 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.334 3.503 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.812 0.815 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.040 0.966 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.890 -0.089 0.855 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.721 -0.994 3.883 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.933 -2.212 4.009 1.00 0.00 C ATOM 1558 C LEU A 94 -1.751 -2.864 2.644 1.00 0.00 C ATOM 1559 O LEU A 94 -2.725 -3.181 1.962 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.613 -3.189 4.973 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.492 -2.828 6.456 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.085 -3.108 6.960 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.863 -1.370 6.684 1.00 0.00 C ATOM 0 H LEU A 94 -3.728 -1.131 3.967 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.953 -1.952 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.670 -3.253 4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.188 -4.181 4.821 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.188 -3.450 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.018 -2.845 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.857 -4.167 6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.370 -2.513 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.771 -1.133 7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.194 -0.730 6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.891 -1.202 6.363 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.499 -3.051 2.246 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.194 -3.652 0.955 1.00 0.00 C ATOM 1577 C LEU A 95 0.764 -4.828 1.103 1.00 0.00 C ATOM 1578 O LEU A 95 1.872 -4.683 1.619 1.00 0.00 O ATOM 1579 CB LEU A 95 0.404 -2.600 0.021 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.463 -1.358 -0.185 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.170 -0.430 -1.206 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.867 -1.754 -0.622 1.00 0.00 C ATOM 0 H LEU A 95 0.320 -2.796 2.798 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.123 -4.029 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.370 -2.289 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.591 -3.060 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.535 -0.827 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.461 0.449 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.154 -0.120 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.272 -0.952 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.470 -0.857 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.814 -2.308 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.323 -2.381 0.144 1.00 0.00 H new ATOM 1594 N LEU A 96 0.327 -5.993 0.637 1.00 0.00 N ATOM 1595 CA LEU A 96 1.137 -7.202 0.704 1.00 0.00 C ATOM 1596 C LEU A 96 1.922 -7.388 -0.589 1.00 0.00 C ATOM 1597 O LEU A 96 1.405 -7.150 -1.681 1.00 0.00 O ATOM 1598 CB LEU A 96 0.238 -8.416 0.965 1.00 0.00 C ATOM 1599 CG LEU A 96 0.879 -9.789 0.728 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.418 -10.356 2.030 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.130 -10.744 0.106 1.00 0.00 C ATOM 0 H LEU A 96 -0.588 -6.125 0.207 1.00 0.00 H new ATOM 0 HA LEU A 96 1.848 -7.107 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.108 -8.372 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.644 -8.334 0.329 1.00 0.00 H new ATOM 0 HG LEU A 96 1.712 -9.668 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.869 -11.330 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.170 -9.680 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.602 -10.465 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.339 -11.714 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.982 -10.861 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.471 -10.342 -0.848 1.00 0.00 H new ATOM 1613 N ALA A 97 3.172 -7.815 -0.459 1.00 0.00 N ATOM 1614 CA ALA A 97 4.025 -8.033 -1.617 1.00 0.00 C ATOM 1615 C ALA A 97 4.323 -9.515 -1.808 1.00 0.00 C ATOM 1616 O ALA A 97 4.758 -10.196 -0.879 1.00 0.00 O ATOM 1617 CB ALA A 97 5.318 -7.245 -1.471 1.00 0.00 C ATOM 0 H ALA A 97 3.616 -8.017 0.437 1.00 0.00 H new ATOM 0 HA ALA A 97 3.495 -7.681 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.949 -7.416 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.089 -6.182 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.844 -7.572 -0.574 1.00 0.00 H new ATOM 1623 N ASN A 98 4.086 -10.009 -3.020 1.00 0.00 N ATOM 1624 CA ASN A 98 4.328 -11.413 -3.339 1.00 0.00 C ATOM 1625 C ASN A 98 5.720 -11.847 -2.888 1.00 0.00 C ATOM 1626 O ASN A 98 5.949 -13.019 -2.587 1.00 0.00 O ATOM 1627 CB ASN A 98 4.171 -11.650 -4.842 1.00 0.00 C ATOM 1628 CG ASN A 98 4.910 -10.618 -5.671 1.00 0.00 C ATOM 1629 OD1 ASN A 98 6.095 -10.772 -5.962 1.00 0.00 O ATOM 1630 ND2 ASN A 98 4.210 -9.556 -6.053 1.00 0.00 N ATOM 0 H ASN A 98 3.726 -9.457 -3.799 1.00 0.00 H new ATOM 0 HA ASN A 98 3.591 -12.011 -2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.541 -12.645 -5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.113 -11.630 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.654 -8.826 -6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.229 -9.470 -5.788 1.00 0.00 H new ATOM 1637 N SER A 99 6.645 -10.893 -2.841 1.00 0.00 N ATOM 1638 CA SER A 99 8.012 -11.174 -2.425 1.00 0.00 C ATOM 1639 C SER A 99 8.499 -10.123 -1.434 1.00 0.00 C ATOM 1640 O SER A 99 8.159 -8.946 -1.546 1.00 0.00 O ATOM 1641 CB SER A 99 8.941 -11.221 -3.641 1.00 0.00 C ATOM 1642 OG SER A 99 9.294 -12.554 -3.964 1.00 0.00 O ATOM 0 H SER A 99 6.471 -9.918 -3.086 1.00 0.00 H new ATOM 0 HA SER A 99 8.026 -12.147 -1.934 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.450 -10.755 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.842 -10.643 -3.436 1.00 0.00 H new ATOM 0 HG SER A 99 9.886 -12.556 -4.745 1.00 0.00 H new ATOM 1648 N THR A 100 9.297 -10.555 -0.463 1.00 0.00 N ATOM 1649 CA THR A 100 9.831 -9.648 0.549 1.00 0.00 C ATOM 1650 C THR A 100 10.522 -8.455 -0.103 1.00 0.00 C ATOM 1651 O THR A 100 10.334 -7.312 0.311 1.00 0.00 O ATOM 1652 CB THR A 100 10.816 -10.386 1.456 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.470 -11.756 1.562 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.879 -9.819 2.858 1.00 0.00 C ATOM 0 H THR A 100 9.588 -11.526 -0.355 1.00 0.00 H new ATOM 0 HA THR A 100 8.998 -9.282 1.149 1.00 0.00 H new ATOM 0 HB THR A 100 11.791 -10.260 0.986 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.113 -12.212 2.145 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.596 -10.388 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.191 -8.776 2.815 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.895 -9.884 3.321 1.00 0.00 H new ATOM 1662 N GLU A 101 11.322 -8.733 -1.125 1.00 0.00 N ATOM 1663 CA GLU A 101 12.046 -7.688 -1.840 1.00 0.00 C ATOM 1664 C GLU A 101 11.098 -6.592 -2.318 1.00 0.00 C ATOM 1665 O GLU A 101 11.423 -5.406 -2.256 1.00 0.00 O ATOM 1666 CB GLU A 101 12.796 -8.286 -3.030 1.00 0.00 C ATOM 1667 CG GLU A 101 13.617 -9.516 -2.676 1.00 0.00 C ATOM 1668 CD GLU A 101 14.717 -9.790 -3.681 1.00 0.00 C ATOM 1669 OE1 GLU A 101 15.733 -9.064 -3.663 1.00 0.00 O ATOM 1670 OE2 GLU A 101 14.565 -10.734 -4.486 1.00 0.00 O ATOM 0 H GLU A 101 11.486 -9.676 -1.478 1.00 0.00 H new ATOM 0 HA GLU A 101 12.764 -7.242 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.078 -8.550 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.456 -7.528 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.057 -9.382 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.959 -10.383 -2.617 1.00 0.00 H new ATOM 1677 N GLU A 102 9.921 -6.996 -2.790 1.00 0.00 N ATOM 1678 CA GLU A 102 8.926 -6.045 -3.274 1.00 0.00 C ATOM 1679 C GLU A 102 8.531 -5.069 -2.170 1.00 0.00 C ATOM 1680 O GLU A 102 8.369 -3.874 -2.414 1.00 0.00 O ATOM 1681 CB GLU A 102 7.688 -6.785 -3.789 1.00 0.00 C ATOM 1682 CG GLU A 102 7.419 -6.567 -5.269 1.00 0.00 C ATOM 1683 CD GLU A 102 6.088 -5.893 -5.528 1.00 0.00 C ATOM 1684 OE1 GLU A 102 5.143 -6.122 -4.743 1.00 0.00 O ATOM 1685 OE2 GLU A 102 5.988 -5.136 -6.517 1.00 0.00 O ATOM 0 H GLU A 102 9.634 -7.973 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 102 9.366 -5.479 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.810 -7.852 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.818 -6.460 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.218 -5.959 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.441 -7.528 -5.784 1.00 0.00 H new ATOM 1692 N GLN A 103 8.382 -5.586 -0.955 1.00 0.00 N ATOM 1693 CA GLN A 103 8.009 -4.758 0.187 1.00 0.00 C ATOM 1694 C GLN A 103 9.084 -3.711 0.468 1.00 0.00 C ATOM 1695 O GLN A 103 8.777 -2.576 0.831 1.00 0.00 O ATOM 1696 CB GLN A 103 7.785 -5.631 1.426 1.00 0.00 C ATOM 1697 CG GLN A 103 7.589 -4.839 2.710 1.00 0.00 C ATOM 1698 CD GLN A 103 8.794 -4.909 3.627 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.288 -5.991 3.941 1.00 0.00 O ATOM 1700 NE2 GLN A 103 9.274 -3.750 4.064 1.00 0.00 N ATOM 0 H GLN A 103 8.514 -6.573 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 103 7.079 -4.242 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.910 -6.260 1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.639 -6.297 1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.385 -3.797 2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.713 -5.219 3.237 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.833 -2.875 3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.083 -3.735 4.685 1.00 0.00 H new ATOM 1709 N GLN A 104 10.344 -4.097 0.294 1.00 0.00 N ATOM 1710 CA GLN A 104 11.459 -3.183 0.529 1.00 0.00 C ATOM 1711 C GLN A 104 11.521 -2.124 -0.565 1.00 0.00 C ATOM 1712 O GLN A 104 11.887 -0.975 -0.314 1.00 0.00 O ATOM 1713 CB GLN A 104 12.793 -3.940 0.586 1.00 0.00 C ATOM 1714 CG GLN A 104 12.676 -5.391 1.031 1.00 0.00 C ATOM 1715 CD GLN A 104 11.804 -5.563 2.260 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.445 -4.590 2.924 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.460 -6.808 2.569 1.00 0.00 N ATOM 0 H GLN A 104 10.619 -5.032 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 104 11.292 -2.698 1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.255 -3.912 -0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.464 -3.417 1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.265 -5.984 0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.671 -5.783 1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.780 -7.584 1.990 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.875 -6.988 3.385 1.00 0.00 H new ATOM 1726 N LYS A 105 11.163 -2.521 -1.782 1.00 0.00 N ATOM 1727 CA LYS A 105 11.179 -1.613 -2.921 1.00 0.00 C ATOM 1728 C LYS A 105 10.011 -0.633 -2.860 1.00 0.00 C ATOM 1729 O LYS A 105 10.203 0.578 -2.942 1.00 0.00 O ATOM 1730 CB LYS A 105 11.129 -2.408 -4.231 1.00 0.00 C ATOM 1731 CG LYS A 105 10.883 -1.550 -5.465 1.00 0.00 C ATOM 1732 CD LYS A 105 10.706 -2.402 -6.711 1.00 0.00 C ATOM 1733 CE LYS A 105 9.241 -2.525 -7.097 1.00 0.00 C ATOM 1734 NZ LYS A 105 9.072 -2.881 -8.533 1.00 0.00 N ATOM 0 H LYS A 105 10.858 -3.469 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 105 12.106 -1.041 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.070 -2.944 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.342 -3.158 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.994 -0.938 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.720 -0.866 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.265 -1.962 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.122 -3.394 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.765 -3.284 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.732 -1.583 -6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.059 -2.955 -8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 9.504 -2.144 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.535 -3.793 -8.721 1.00 0.00 H new ATOM 1748 N TRP A 106 8.801 -1.165 -2.727 1.00 0.00 N ATOM 1749 CA TRP A 106 7.605 -0.333 -2.672 1.00 0.00 C ATOM 1750 C TRP A 106 7.683 0.686 -1.539 1.00 0.00 C ATOM 1751 O TRP A 106 7.464 1.879 -1.746 1.00 0.00 O ATOM 1752 CB TRP A 106 6.362 -1.197 -2.496 1.00 0.00 C ATOM 1753 CG TRP A 106 5.670 -1.477 -3.788 1.00 0.00 C ATOM 1754 CD1 TRP A 106 5.944 -2.493 -4.646 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.609 -0.723 -4.379 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.101 -2.437 -5.730 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.274 -1.356 -5.590 1.00 0.00 C ATOM 1758 CE3 TRP A 106 3.903 0.420 -4.000 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.265 -0.883 -6.424 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 2.902 0.889 -4.832 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.593 0.237 -6.028 1.00 0.00 C ATOM 0 H TRP A 106 8.623 -2.167 -2.655 1.00 0.00 H new ATOM 0 HA TRP A 106 7.541 0.208 -3.616 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.643 -2.140 -2.027 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.670 -0.697 -1.818 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.713 -3.237 -4.498 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.093 -3.093 -6.511 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.134 0.928 -3.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.023 -1.384 -7.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.350 1.774 -4.552 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.804 0.628 -6.654 1.00 0.00 H new ATOM 1772 N VAL A 107 7.987 0.199 -0.341 1.00 0.00 N ATOM 1773 CA VAL A 107 8.084 1.055 0.836 1.00 0.00 C ATOM 1774 C VAL A 107 9.196 2.089 0.690 1.00 0.00 C ATOM 1775 O VAL A 107 8.984 3.278 0.926 1.00 0.00 O ATOM 1776 CB VAL A 107 8.330 0.221 2.110 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.399 1.114 3.342 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.247 -0.837 2.272 1.00 0.00 C ATOM 0 H VAL A 107 8.171 -0.788 -0.159 1.00 0.00 H new ATOM 0 HA VAL A 107 7.131 1.576 0.925 1.00 0.00 H new ATOM 0 HB VAL A 107 9.291 -0.282 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.573 0.501 4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.215 1.828 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.458 1.653 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.436 -1.416 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.274 -0.353 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.255 -1.501 1.408 1.00 0.00 H new ATOM 1788 N SER A 108 10.385 1.631 0.315 1.00 0.00 N ATOM 1789 CA SER A 108 11.531 2.519 0.156 1.00 0.00 C ATOM 1790 C SER A 108 11.326 3.510 -0.987 1.00 0.00 C ATOM 1791 O SER A 108 11.755 4.661 -0.905 1.00 0.00 O ATOM 1792 CB SER A 108 12.802 1.704 -0.085 1.00 0.00 C ATOM 1793 OG SER A 108 13.933 2.547 -0.212 1.00 0.00 O ATOM 0 H SER A 108 10.581 0.650 0.115 1.00 0.00 H new ATOM 0 HA SER A 108 11.634 3.089 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.954 1.009 0.741 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.688 1.105 -0.989 1.00 0.00 H new ATOM 0 HG SER A 108 14.733 2.001 -0.364 1.00 0.00 H new ATOM 1799 N ARG A 109 10.675 3.061 -2.055 1.00 0.00 N ATOM 1800 CA ARG A 109 10.428 3.920 -3.208 1.00 0.00 C ATOM 1801 C ARG A 109 9.313 4.922 -2.920 1.00 0.00 C ATOM 1802 O ARG A 109 9.492 6.130 -3.081 1.00 0.00 O ATOM 1803 CB ARG A 109 10.071 3.078 -4.434 1.00 0.00 C ATOM 1804 CG ARG A 109 11.281 2.488 -5.139 1.00 0.00 C ATOM 1805 CD ARG A 109 11.957 3.511 -6.037 1.00 0.00 C ATOM 1806 NE ARG A 109 12.755 2.880 -7.084 1.00 0.00 N ATOM 1807 CZ ARG A 109 13.610 3.539 -7.865 1.00 0.00 C ATOM 1808 NH1 ARG A 109 13.778 4.847 -7.720 1.00 0.00 N ATOM 1809 NH2 ARG A 109 14.297 2.887 -8.793 1.00 0.00 N ATOM 0 H ARG A 109 10.311 2.113 -2.146 1.00 0.00 H new ATOM 0 HA ARG A 109 11.343 4.476 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.408 2.268 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.515 3.696 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 109 11.994 2.125 -4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.973 1.628 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.200 4.149 -6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 109 12.596 4.156 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 109 12.652 1.875 -7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 109 13.251 5.353 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 109 14.434 5.347 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 109 14.171 1.881 -8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 109 14.952 3.391 -9.391 1.00 0.00 H new ATOM 1823 N LEU A 110 8.161 4.412 -2.499 1.00 0.00 N ATOM 1824 CA LEU A 110 7.015 5.261 -2.196 1.00 0.00 C ATOM 1825 C LEU A 110 7.355 6.279 -1.111 1.00 0.00 C ATOM 1826 O LEU A 110 6.944 7.438 -1.184 1.00 0.00 O ATOM 1827 CB LEU A 110 5.816 4.408 -1.771 1.00 0.00 C ATOM 1828 CG LEU A 110 5.865 3.874 -0.338 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.335 4.917 0.636 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.069 2.582 -0.227 1.00 0.00 C ATOM 0 H LEU A 110 7.996 3.415 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 110 6.753 5.809 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.910 5.002 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.734 3.562 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 110 6.903 3.661 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.377 4.521 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.945 5.818 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.303 5.160 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.113 2.214 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.031 2.770 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.492 1.835 -0.899 1.00 0.00 H new ATOM 1842 N VAL A 111 8.114 5.844 -0.108 1.00 0.00 N ATOM 1843 CA VAL A 111 8.508 6.729 0.981 1.00 0.00 C ATOM 1844 C VAL A 111 9.514 7.766 0.494 1.00 0.00 C ATOM 1845 O VAL A 111 9.429 8.942 0.845 1.00 0.00 O ATOM 1846 CB VAL A 111 9.111 5.941 2.164 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.482 5.386 1.806 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.189 6.819 3.403 1.00 0.00 C ATOM 0 H VAL A 111 8.466 4.890 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 111 7.607 7.234 1.328 1.00 0.00 H new ATOM 0 HB VAL A 111 8.456 5.098 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.885 4.835 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.392 4.717 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.153 6.208 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.616 6.248 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.818 7.685 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.188 7.155 3.675 1.00 0.00 H new ATOM 1858 N LYS A 112 10.460 7.318 -0.326 1.00 0.00 N ATOM 1859 CA LYS A 112 11.477 8.206 -0.873 1.00 0.00 C ATOM 1860 C LYS A 112 10.827 9.336 -1.661 1.00 0.00 C ATOM 1861 O LYS A 112 11.357 10.446 -1.731 1.00 0.00 O ATOM 1862 CB LYS A 112 12.437 7.424 -1.775 1.00 0.00 C ATOM 1863 CG LYS A 112 13.722 7.006 -1.077 1.00 0.00 C ATOM 1864 CD LYS A 112 14.739 6.460 -2.065 1.00 0.00 C ATOM 1865 CE LYS A 112 15.443 7.578 -2.815 1.00 0.00 C ATOM 1866 NZ LYS A 112 14.835 7.820 -4.153 1.00 0.00 N ATOM 0 H LYS A 112 10.542 6.346 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 112 12.042 8.635 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.929 6.534 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.686 8.035 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.147 7.861 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.500 6.248 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.475 5.856 -1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.240 5.802 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.399 8.494 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.497 7.327 -2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.519 7.570 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.981 7.235 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.579 8.824 -4.242 1.00 0.00 H new ATOM 1880 N LYS A 113 9.671 9.047 -2.249 1.00 0.00 N ATOM 1881 CA LYS A 113 8.940 10.038 -3.030 1.00 0.00 C ATOM 1882 C LYS A 113 8.367 11.127 -2.127 1.00 0.00 C ATOM 1883 O LYS A 113 8.153 12.258 -2.562 1.00 0.00 O ATOM 1884 CB LYS A 113 7.813 9.369 -3.820 1.00 0.00 C ATOM 1885 CG LYS A 113 8.306 8.360 -4.844 1.00 0.00 C ATOM 1886 CD LYS A 113 8.693 9.033 -6.151 1.00 0.00 C ATOM 1887 CE LYS A 113 7.469 9.413 -6.970 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.583 8.960 -8.383 1.00 0.00 N ATOM 0 H LYS A 113 9.220 8.134 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 113 9.638 10.499 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.140 8.869 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.232 10.137 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.165 7.823 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 113 7.527 7.621 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 113 9.282 9.926 -5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.326 8.363 -6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.580 8.973 -6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.337 10.495 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.643 8.973 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.221 9.597 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.965 7.993 -8.408 1.00 0.00 H new ATOM 1902 N ILE A 114 8.123 10.779 -0.866 1.00 0.00 N ATOM 1903 CA ILE A 114 7.576 11.728 0.099 1.00 0.00 C ATOM 1904 C ILE A 114 8.482 12.952 0.235 1.00 0.00 C ATOM 1905 O ILE A 114 9.704 12.824 0.294 1.00 0.00 O ATOM 1906 CB ILE A 114 7.396 11.079 1.487 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.563 9.799 1.371 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.741 12.057 2.454 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.252 9.155 2.705 1.00 0.00 C ATOM 0 H ILE A 114 8.295 9.847 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 114 6.601 12.038 -0.277 1.00 0.00 H new ATOM 0 HB ILE A 114 8.380 10.819 1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.627 10.029 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.098 9.083 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.622 11.582 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.368 12.942 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.763 12.348 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.660 8.254 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.183 8.893 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.689 9.854 3.324 1.00 0.00 H new ATOM 1921 N PRO A 115 7.894 14.161 0.286 1.00 0.00 N ATOM 1922 CA PRO A 115 8.661 15.405 0.414 1.00 0.00 C ATOM 1923 C PRO A 115 9.369 15.512 1.761 1.00 0.00 C ATOM 1924 O PRO A 115 10.544 15.871 1.828 1.00 0.00 O ATOM 1925 CB PRO A 115 7.598 16.500 0.282 1.00 0.00 C ATOM 1926 CG PRO A 115 6.321 15.842 0.669 1.00 0.00 C ATOM 1927 CD PRO A 115 6.442 14.413 0.222 1.00 0.00 C ATOM 0 HA PRO A 115 9.453 15.471 -0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.819 17.346 0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.551 16.885 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.161 15.902 1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.470 16.330 0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.887 13.739 0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.053 14.272 -0.786 1.00 0.00 H new