USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 859 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 36 SER OG : rot -41:sc= 1.03 USER MOD Set 1.2: A 87 CYS SG : rot -90:sc= 0.854 USER MOD Set 2.1: A 69 SER OG : rot -151:sc= 1.35 USER MOD Set 2.2: A 76 GLN : amide:sc= 1.14 X(o=2.5,f=2.1) USER MOD Set 3.1: A 24 MET CE :methyl 172:sc= -0.0569 (180deg=-0.226) USER MOD Set 3.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 19 LYS NZ :NH3+ -177:sc= 0.838 (180deg=0) USER MOD Set 4.2: A 109 SER OG : rot -27:sc= 2.01 USER MOD Set 5.1: A 17 SER OG : rot -93:sc= 1.25 USER MOD Set 5.2: A 18 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.204 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 85:sc= 1.12 USER MOD Single : A 10 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -79:sc= 1.19 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 0.793 (180deg=0.638) USER MOD Single : A 32 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.11) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0313 X(o=-0.031,f=-0.054) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 71:sc= 1.23 USER MOD Single : A 47 ASN : amide:sc= -0.0989 K(o=-0.099,f=-0.97) USER MOD Single : A 54 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.7) USER MOD Single : A 58 ASN : amide:sc= -0.0441 K(o=-0.044,f=-4.4!) USER MOD Single : A 63 GLN : amide:sc= 1.14 K(o=1.1,f=-0.31) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.963) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 72:sc= 1.26 USER MOD Single : A 73 THR OG1 : rot 36:sc= 0.389 USER MOD Single : A 78 TYR OH : rot -102:sc= 0.123 USER MOD Single : A 90 THR OG1 : rot 73:sc= 1.06 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 68:sc= 1.3 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.054) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 172:sc= -0.0069 (180deg=-0.132) USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.017 1.499 -0.286 1.00 0.00 N ATOM 2 CA MET A 1 -1.702 0.787 -0.325 1.00 0.00 C ATOM 3 C MET A 1 -0.706 1.509 -1.249 1.00 0.00 C ATOM 4 O MET A 1 0.088 2.312 -0.760 1.00 0.00 O ATOM 5 CB MET A 1 -1.836 -0.718 -0.670 1.00 0.00 C ATOM 6 CG MET A 1 -2.491 -1.538 0.449 1.00 0.00 C ATOM 7 SD MET A 1 -2.568 -3.321 0.110 1.00 0.00 S ATOM 8 CE MET A 1 -3.387 -3.882 1.628 1.00 0.00 C ATOM 0 H1 MET A 1 -3.669 0.990 0.345 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.877 2.467 0.068 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.420 1.536 -1.244 1.00 0.00 H new ATOM 0 HA MET A 1 -1.298 0.820 0.687 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.424 -0.824 -1.582 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.847 -1.126 -0.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.938 -1.378 1.374 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.502 -1.166 0.614 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.517 -4.964 1.593 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.775 -3.618 2.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.362 -3.402 1.714 1.00 0.00 H new ATOM 20 N ALA A 2 -0.728 1.256 -2.565 1.00 0.00 N ATOM 21 CA ALA A 2 0.149 1.906 -3.553 1.00 0.00 C ATOM 22 C ALA A 2 -0.281 3.352 -3.891 1.00 0.00 C ATOM 23 O ALA A 2 -1.356 3.808 -3.489 1.00 0.00 O ATOM 24 CB ALA A 2 0.191 1.009 -4.802 1.00 0.00 C ATOM 0 H ALA A 2 -1.368 0.580 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 2 1.148 2.011 -3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.834 1.464 -5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.584 0.029 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.816 0.898 -5.204 1.00 0.00 H new ATOM 30 N LEU A 3 0.559 4.063 -4.655 1.00 0.00 N ATOM 31 CA LEU A 3 0.295 5.423 -5.146 1.00 0.00 C ATOM 32 C LEU A 3 -0.907 5.420 -6.112 1.00 0.00 C ATOM 33 O LEU A 3 -0.977 4.581 -7.017 1.00 0.00 O ATOM 34 CB LEU A 3 1.551 5.981 -5.856 1.00 0.00 C ATOM 35 CG LEU A 3 2.659 6.567 -4.955 1.00 0.00 C ATOM 36 CD1 LEU A 3 3.141 5.599 -3.863 1.00 0.00 C ATOM 37 CD2 LEU A 3 3.854 6.981 -5.823 1.00 0.00 C ATOM 0 H LEU A 3 1.463 3.700 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 3 0.055 6.063 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.987 5.180 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.231 6.758 -6.550 1.00 0.00 H new ATOM 0 HG LEU A 3 2.223 7.426 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.919 6.079 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.304 5.333 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.542 4.698 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.638 7.395 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.238 6.109 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.536 7.733 -6.545 1.00 0.00 H new ATOM 49 N THR A 4 -1.832 6.374 -5.943 1.00 0.00 N ATOM 50 CA THR A 4 -2.968 6.585 -6.857 1.00 0.00 C ATOM 51 C THR A 4 -2.536 7.441 -8.058 1.00 0.00 C ATOM 52 O THR A 4 -1.588 8.225 -7.928 1.00 0.00 O ATOM 53 CB THR A 4 -4.168 7.210 -6.123 1.00 0.00 C ATOM 54 OG1 THR A 4 -3.808 8.473 -5.619 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.645 6.338 -4.961 1.00 0.00 C ATOM 0 H THR A 4 -1.815 7.029 -5.161 1.00 0.00 H new ATOM 0 HA THR A 4 -3.291 5.614 -7.231 1.00 0.00 H new ATOM 0 HB THR A 4 -4.981 7.298 -6.844 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.574 8.870 -5.154 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.493 6.817 -4.471 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.948 5.362 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.834 6.213 -4.243 1.00 0.00 H new ATOM 63 N PRO A 5 -3.230 7.359 -9.213 1.00 0.00 N ATOM 64 CA PRO A 5 -2.975 8.254 -10.337 1.00 0.00 C ATOM 65 C PRO A 5 -3.308 9.710 -9.980 1.00 0.00 C ATOM 66 O PRO A 5 -2.602 10.607 -10.431 1.00 0.00 O ATOM 67 CB PRO A 5 -3.827 7.719 -11.493 1.00 0.00 C ATOM 68 CG PRO A 5 -4.970 6.979 -10.798 1.00 0.00 C ATOM 69 CD PRO A 5 -4.301 6.424 -9.540 1.00 0.00 C ATOM 0 HA PRO A 5 -1.921 8.270 -10.613 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.199 8.528 -12.122 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.253 7.053 -12.137 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.796 7.648 -10.555 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.377 6.184 -11.424 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.015 6.345 -8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.906 5.423 -9.716 1.00 0.00 H new ATOM 77 N ALA A 6 -4.317 9.956 -9.133 1.00 0.00 N ATOM 78 CA ALA A 6 -4.667 11.295 -8.648 1.00 0.00 C ATOM 79 C ALA A 6 -3.545 11.937 -7.812 1.00 0.00 C ATOM 80 O ALA A 6 -3.223 13.108 -8.017 1.00 0.00 O ATOM 81 CB ALA A 6 -5.973 11.185 -7.851 1.00 0.00 C ATOM 0 H ALA A 6 -4.919 9.221 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.803 11.958 -9.503 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.256 12.169 -7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.762 10.801 -8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.830 10.506 -7.010 1.00 0.00 H new ATOM 87 N LEU A 7 -2.901 11.167 -6.920 1.00 0.00 N ATOM 88 CA LEU A 7 -1.735 11.609 -6.145 1.00 0.00 C ATOM 89 C LEU A 7 -0.571 11.961 -7.074 1.00 0.00 C ATOM 90 O LEU A 7 -0.059 13.075 -7.028 1.00 0.00 O ATOM 91 CB LEU A 7 -1.369 10.494 -5.146 1.00 0.00 C ATOM 92 CG LEU A 7 -0.051 10.697 -4.373 1.00 0.00 C ATOM 93 CD1 LEU A 7 -0.062 11.966 -3.512 1.00 0.00 C ATOM 94 CD2 LEU A 7 0.196 9.466 -3.496 1.00 0.00 C ATOM 0 H LEU A 7 -3.181 10.208 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.968 12.517 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.181 10.396 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.309 9.550 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 7 0.753 10.821 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.890 12.060 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.213 12.837 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.871 11.905 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.126 9.595 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.630 9.347 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.268 8.579 -4.126 1.00 0.00 H new ATOM 106 N LYS A 8 -0.189 11.042 -7.965 1.00 0.00 N ATOM 107 CA LYS A 8 0.920 11.250 -8.908 1.00 0.00 C ATOM 108 C LYS A 8 0.682 12.455 -9.843 1.00 0.00 C ATOM 109 O LYS A 8 1.610 13.226 -10.094 1.00 0.00 O ATOM 110 CB LYS A 8 1.158 9.945 -9.688 1.00 0.00 C ATOM 111 CG LYS A 8 1.747 8.837 -8.791 1.00 0.00 C ATOM 112 CD LYS A 8 1.845 7.483 -9.511 1.00 0.00 C ATOM 113 CE LYS A 8 2.797 7.528 -10.716 1.00 0.00 C ATOM 114 NZ LYS A 8 2.926 6.197 -11.371 1.00 0.00 N ATOM 0 H LYS A 8 -0.639 10.131 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 8 1.820 11.499 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.217 9.602 -10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.836 10.138 -10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.739 9.137 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.127 8.727 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.189 6.725 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.853 7.180 -9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.431 8.255 -11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.780 7.869 -10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.577 6.269 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.299 5.508 -10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.993 5.883 -11.705 1.00 0.00 H new ATOM 128 N THR A 9 -0.569 12.670 -10.282 1.00 0.00 N ATOM 129 CA THR A 9 -1.025 13.822 -11.067 1.00 0.00 C ATOM 130 C THR A 9 -0.963 15.119 -10.266 1.00 0.00 C ATOM 131 O THR A 9 -0.531 16.127 -10.815 1.00 0.00 O ATOM 132 CB THR A 9 -2.430 13.537 -11.587 1.00 0.00 C ATOM 133 OG1 THR A 9 -2.387 12.430 -12.459 1.00 0.00 O ATOM 134 CG2 THR A 9 -3.027 14.702 -12.357 1.00 0.00 C ATOM 0 H THR A 9 -1.324 12.012 -10.088 1.00 0.00 H new ATOM 0 HA THR A 9 -0.354 13.966 -11.914 1.00 0.00 H new ATOM 0 HB THR A 9 -3.053 13.349 -10.712 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.450 11.602 -11.939 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.027 14.437 -12.701 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.086 15.575 -11.707 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.397 14.931 -13.216 1.00 0.00 H new ATOM 142 N THR A 10 -1.342 15.107 -8.980 1.00 0.00 N ATOM 143 CA THR A 10 -1.281 16.280 -8.083 1.00 0.00 C ATOM 144 C THR A 10 0.166 16.700 -7.842 1.00 0.00 C ATOM 145 O THR A 10 0.496 17.879 -7.991 1.00 0.00 O ATOM 146 CB THR A 10 -2.003 15.987 -6.758 1.00 0.00 C ATOM 147 OG1 THR A 10 -3.346 15.656 -7.031 1.00 0.00 O ATOM 148 CG2 THR A 10 -2.016 17.198 -5.820 1.00 0.00 C ATOM 0 H THR A 10 -1.706 14.271 -8.523 1.00 0.00 H new ATOM 0 HA THR A 10 -1.794 17.111 -8.567 1.00 0.00 H new ATOM 0 HB THR A 10 -1.466 15.171 -6.274 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.382 14.794 -7.496 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.538 16.939 -4.899 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.992 17.489 -5.588 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.528 18.029 -6.305 1.00 0.00 H new ATOM 156 N LEU A 11 1.036 15.732 -7.529 1.00 0.00 N ATOM 157 CA LEU A 11 2.481 15.927 -7.366 1.00 0.00 C ATOM 158 C LEU A 11 3.090 16.544 -8.633 1.00 0.00 C ATOM 159 O LEU A 11 3.667 17.633 -8.566 1.00 0.00 O ATOM 160 CB LEU A 11 3.136 14.586 -6.983 1.00 0.00 C ATOM 161 CG LEU A 11 2.788 14.097 -5.559 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.229 12.639 -5.370 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.474 14.958 -4.488 1.00 0.00 C ATOM 0 H LEU A 11 0.746 14.766 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 11 2.673 16.633 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.829 13.826 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.218 14.686 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 11 1.707 14.179 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.977 12.310 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.718 12.007 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.306 12.563 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.208 14.587 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.555 14.906 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.146 15.993 -4.588 1.00 0.00 H new ATOM 175 N ASP A 12 2.877 15.931 -9.799 1.00 0.00 N ATOM 176 CA ASP A 12 3.321 16.473 -11.088 1.00 0.00 C ATOM 177 C ASP A 12 2.773 17.889 -11.336 1.00 0.00 C ATOM 178 O ASP A 12 3.525 18.780 -11.729 1.00 0.00 O ATOM 179 CB ASP A 12 2.901 15.522 -12.216 1.00 0.00 C ATOM 180 CG ASP A 12 3.397 16.017 -13.585 1.00 0.00 C ATOM 181 OD1 ASP A 12 4.602 15.841 -13.882 1.00 0.00 O ATOM 182 OD2 ASP A 12 2.580 16.566 -14.361 1.00 0.00 O ATOM 0 H ASP A 12 2.389 15.039 -9.878 1.00 0.00 H new ATOM 0 HA ASP A 12 4.408 16.553 -11.067 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.300 14.527 -12.021 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.815 15.432 -12.232 1.00 0.00 H new ATOM 187 N LYS A 13 1.493 18.142 -11.035 1.00 0.00 N ATOM 188 CA LYS A 13 0.875 19.459 -11.199 1.00 0.00 C ATOM 189 C LYS A 13 1.532 20.516 -10.299 1.00 0.00 C ATOM 190 O LYS A 13 1.889 21.578 -10.809 1.00 0.00 O ATOM 191 CB LYS A 13 -0.648 19.347 -10.972 1.00 0.00 C ATOM 192 CG LYS A 13 -1.432 20.654 -11.203 1.00 0.00 C ATOM 193 CD LYS A 13 -1.322 21.256 -12.615 1.00 0.00 C ATOM 194 CE LYS A 13 -1.848 20.292 -13.694 1.00 0.00 C ATOM 195 NZ LYS A 13 -1.817 20.911 -15.048 1.00 0.00 N ATOM 0 H LYS A 13 0.856 17.434 -10.669 1.00 0.00 H new ATOM 0 HA LYS A 13 1.040 19.802 -12.220 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.045 18.579 -11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.825 19.009 -9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.484 20.468 -10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.086 21.396 -10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.884 22.189 -12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.281 21.502 -12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.246 19.384 -13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.869 19.997 -13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.178 20.232 -15.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.412 21.764 -15.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.839 21.170 -15.289 1.00 0.00 H new ATOM 209 N VAL A 14 1.791 20.249 -9.012 1.00 0.00 N ATOM 210 CA VAL A 14 2.501 21.206 -8.156 1.00 0.00 C ATOM 211 C VAL A 14 3.972 21.368 -8.575 1.00 0.00 C ATOM 212 O VAL A 14 4.464 22.495 -8.613 1.00 0.00 O ATOM 213 CB VAL A 14 2.352 20.908 -6.650 1.00 0.00 C ATOM 214 CG1 VAL A 14 0.880 20.981 -6.214 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.966 19.589 -6.166 1.00 0.00 C ATOM 0 H VAL A 14 1.521 19.384 -8.544 1.00 0.00 H new ATOM 0 HA VAL A 14 2.013 22.168 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 14 2.936 21.694 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.805 20.767 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.491 21.980 -6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.298 20.248 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.802 19.483 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.496 18.756 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.036 19.589 -6.371 1.00 0.00 H new ATOM 225 N VAL A 15 4.640 20.282 -8.990 1.00 0.00 N ATOM 226 CA VAL A 15 6.039 20.303 -9.466 1.00 0.00 C ATOM 227 C VAL A 15 6.221 21.113 -10.761 1.00 0.00 C ATOM 228 O VAL A 15 7.260 21.752 -10.923 1.00 0.00 O ATOM 229 CB VAL A 15 6.577 18.864 -9.606 1.00 0.00 C ATOM 230 CG1 VAL A 15 7.879 18.735 -10.413 1.00 0.00 C ATOM 231 CG2 VAL A 15 6.806 18.258 -8.206 1.00 0.00 C ATOM 0 H VAL A 15 4.223 19.351 -9.006 1.00 0.00 H new ATOM 0 HA VAL A 15 6.631 20.822 -8.712 1.00 0.00 H new ATOM 0 HB VAL A 15 5.813 18.325 -10.166 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.178 17.688 -10.456 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.719 19.109 -11.424 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.665 19.317 -9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.186 17.241 -8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.530 18.864 -7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.864 18.240 -7.659 1.00 0.00 H new ATOM 241 N THR A 16 5.230 21.119 -11.665 1.00 0.00 N ATOM 242 CA THR A 16 5.291 21.825 -12.959 1.00 0.00 C ATOM 243 C THR A 16 4.761 23.256 -12.891 1.00 0.00 C ATOM 244 O THR A 16 5.392 24.160 -13.431 1.00 0.00 O ATOM 245 CB THR A 16 4.571 21.039 -14.064 1.00 0.00 C ATOM 246 OG1 THR A 16 3.276 20.675 -13.648 1.00 0.00 O ATOM 247 CG2 THR A 16 5.333 19.763 -14.429 1.00 0.00 C ATOM 0 H THR A 16 4.349 20.627 -11.518 1.00 0.00 H new ATOM 0 HA THR A 16 6.350 21.891 -13.208 1.00 0.00 H new ATOM 0 HB THR A 16 4.518 21.691 -14.936 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.329 19.892 -13.061 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.796 19.230 -15.214 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.330 20.024 -14.784 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.416 19.125 -13.549 1.00 0.00 H new ATOM 255 N SER A 17 3.634 23.490 -12.214 1.00 0.00 N ATOM 256 CA SER A 17 3.007 24.828 -12.150 1.00 0.00 C ATOM 257 C SER A 17 3.769 25.822 -11.249 1.00 0.00 C ATOM 258 O SER A 17 3.813 27.019 -11.548 1.00 0.00 O ATOM 259 CB SER A 17 1.537 24.725 -11.705 1.00 0.00 C ATOM 260 OG SER A 17 1.385 24.172 -10.405 1.00 0.00 O ATOM 0 H SER A 17 3.129 22.770 -11.697 1.00 0.00 H new ATOM 0 HA SER A 17 3.052 25.228 -13.163 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.087 25.718 -11.726 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.989 24.112 -12.420 1.00 0.00 H new ATOM 0 HG SER A 17 1.247 23.204 -10.475 1.00 0.00 H new ATOM 266 N HIS A 18 4.414 25.335 -10.186 1.00 0.00 N ATOM 267 CA HIS A 18 5.225 26.127 -9.256 1.00 0.00 C ATOM 268 C HIS A 18 6.550 25.393 -8.980 1.00 0.00 C ATOM 269 O HIS A 18 6.768 24.835 -7.900 1.00 0.00 O ATOM 270 CB HIS A 18 4.418 26.407 -7.975 1.00 0.00 C ATOM 271 CG HIS A 18 3.255 27.345 -8.187 1.00 0.00 C ATOM 272 ND1 HIS A 18 3.334 28.711 -8.361 1.00 0.00 N ATOM 273 CD2 HIS A 18 1.931 27.006 -8.274 1.00 0.00 C ATOM 274 CE1 HIS A 18 2.086 29.180 -8.545 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.188 28.176 -8.499 1.00 0.00 N ATOM 0 H HIS A 18 4.385 24.345 -9.940 1.00 0.00 H new ATOM 0 HA HIS A 18 5.476 27.094 -9.692 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.045 25.463 -7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.083 26.830 -7.222 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.527 26.008 -8.185 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.838 30.219 -8.707 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.176 28.251 -8.606 1.00 0.00 H new ATOM 283 N LYS A 19 7.426 25.340 -9.997 1.00 0.00 N ATOM 284 CA LYS A 19 8.697 24.606 -9.927 1.00 0.00 C ATOM 285 C LYS A 19 9.568 25.032 -8.721 1.00 0.00 C ATOM 286 O LYS A 19 9.650 26.216 -8.399 1.00 0.00 O ATOM 287 CB LYS A 19 9.421 24.640 -11.291 1.00 0.00 C ATOM 288 CG LYS A 19 9.865 26.040 -11.754 1.00 0.00 C ATOM 289 CD LYS A 19 10.555 26.010 -13.126 1.00 0.00 C ATOM 290 CE LYS A 19 9.577 25.716 -14.276 1.00 0.00 C ATOM 291 NZ LYS A 19 10.247 25.774 -15.606 1.00 0.00 N ATOM 0 H LYS A 19 7.271 25.806 -10.891 1.00 0.00 H new ATOM 0 HA LYS A 19 8.478 23.557 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.299 23.996 -11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.761 24.215 -12.047 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.996 26.697 -11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.546 26.465 -11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.041 26.969 -13.304 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.338 25.252 -13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.137 24.729 -14.134 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.759 26.436 -14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.543 25.620 -16.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.689 26.707 -15.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.977 25.035 -15.660 1.00 0.00 H new ATOM 305 N VAL A 20 10.209 24.043 -8.074 1.00 0.00 N ATOM 306 CA VAL A 20 10.928 24.116 -6.777 1.00 0.00 C ATOM 307 C VAL A 20 9.887 23.961 -5.653 1.00 0.00 C ATOM 308 O VAL A 20 9.315 24.941 -5.178 1.00 0.00 O ATOM 309 CB VAL A 20 11.811 25.377 -6.565 1.00 0.00 C ATOM 310 CG1 VAL A 20 12.639 25.231 -5.281 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.797 25.628 -7.722 1.00 0.00 C ATOM 0 H VAL A 20 10.244 23.102 -8.466 1.00 0.00 H new ATOM 0 HA VAL A 20 11.655 23.304 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 20 11.120 26.218 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.254 26.120 -5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.970 25.115 -4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.281 24.354 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.384 26.523 -7.513 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.464 24.772 -7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.242 25.767 -8.650 1.00 0.00 H new ATOM 321 N VAL A 21 9.608 22.715 -5.255 1.00 0.00 N ATOM 322 CA VAL A 21 8.546 22.400 -4.278 1.00 0.00 C ATOM 323 C VAL A 21 9.165 21.979 -2.948 1.00 0.00 C ATOM 324 O VAL A 21 10.058 21.136 -2.930 1.00 0.00 O ATOM 325 CB VAL A 21 7.595 21.292 -4.791 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.522 20.907 -3.759 1.00 0.00 C ATOM 327 CG2 VAL A 21 6.879 21.744 -6.074 1.00 0.00 C ATOM 0 H VAL A 21 10.108 21.894 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 21 7.954 23.304 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 21 8.224 20.422 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.883 20.126 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.004 20.540 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.917 21.782 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.215 20.951 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.296 22.642 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.618 21.960 -6.846 1.00 0.00 H new ATOM 337 N LEU A 22 8.667 22.537 -1.841 1.00 0.00 N ATOM 338 CA LEU A 22 9.000 22.090 -0.486 1.00 0.00 C ATOM 339 C LEU A 22 7.850 21.238 0.053 1.00 0.00 C ATOM 340 O LEU A 22 6.708 21.696 0.137 1.00 0.00 O ATOM 341 CB LEU A 22 9.276 23.296 0.441 1.00 0.00 C ATOM 342 CG LEU A 22 10.633 24.018 0.303 1.00 0.00 C ATOM 343 CD1 LEU A 22 11.817 23.059 0.489 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.782 24.783 -1.020 1.00 0.00 C ATOM 0 H LEU A 22 8.014 23.320 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 22 9.910 21.490 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.488 24.031 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.183 22.954 1.472 1.00 0.00 H new ATOM 0 HG LEU A 22 10.646 24.753 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.752 23.610 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.770 22.611 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.771 22.274 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.758 25.267 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.694 24.087 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.000 25.538 -1.094 1.00 0.00 H new ATOM 356 N PHE A 23 8.159 20.008 0.451 1.00 0.00 N ATOM 357 CA PHE A 23 7.217 19.084 1.073 1.00 0.00 C ATOM 358 C PHE A 23 7.499 18.994 2.578 1.00 0.00 C ATOM 359 O PHE A 23 8.568 18.536 2.985 1.00 0.00 O ATOM 360 CB PHE A 23 7.350 17.718 0.387 1.00 0.00 C ATOM 361 CG PHE A 23 6.804 17.649 -1.031 1.00 0.00 C ATOM 362 CD1 PHE A 23 5.446 17.921 -1.278 1.00 0.00 C ATOM 363 CD2 PHE A 23 7.638 17.252 -2.097 1.00 0.00 C ATOM 364 CE1 PHE A 23 4.927 17.825 -2.580 1.00 0.00 C ATOM 365 CE2 PHE A 23 7.111 17.146 -3.397 1.00 0.00 C ATOM 366 CZ PHE A 23 5.762 17.444 -3.642 1.00 0.00 C ATOM 0 H PHE A 23 9.095 19.616 0.347 1.00 0.00 H new ATOM 0 HA PHE A 23 6.193 19.437 0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.404 17.440 0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.835 16.973 0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.798 18.205 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.679 17.030 -1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.886 18.044 -2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.748 16.834 -4.211 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.367 17.380 -4.645 1.00 0.00 H new ATOM 376 N MET A 24 6.530 19.429 3.392 1.00 0.00 N ATOM 377 CA MET A 24 6.607 19.519 4.864 1.00 0.00 C ATOM 378 C MET A 24 5.211 19.746 5.470 1.00 0.00 C ATOM 379 O MET A 24 4.210 19.558 4.787 1.00 0.00 O ATOM 380 CB MET A 24 7.708 20.525 5.293 1.00 0.00 C ATOM 381 CG MET A 24 7.703 21.896 4.608 1.00 0.00 C ATOM 382 SD MET A 24 6.343 22.992 5.060 1.00 0.00 S ATOM 383 CE MET A 24 7.109 24.542 4.535 1.00 0.00 C ATOM 0 H MET A 24 5.629 19.743 3.032 1.00 0.00 H new ATOM 0 HA MET A 24 6.931 18.568 5.287 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.622 20.683 6.368 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.678 20.061 5.116 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.642 22.399 4.837 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.678 21.742 3.529 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.377 25.348 4.594 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.953 24.770 5.186 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.459 24.445 3.507 1.00 0.00 H new ATOM 393 N LYS A 25 5.103 20.093 6.756 1.00 0.00 N ATOM 394 CA LYS A 25 3.818 20.135 7.489 1.00 0.00 C ATOM 395 C LYS A 25 3.009 21.443 7.305 1.00 0.00 C ATOM 396 O LYS A 25 1.926 21.583 7.878 1.00 0.00 O ATOM 397 CB LYS A 25 4.096 19.859 8.980 1.00 0.00 C ATOM 398 CG LYS A 25 4.738 18.486 9.236 1.00 0.00 C ATOM 399 CD LYS A 25 4.921 18.242 10.740 1.00 0.00 C ATOM 400 CE LYS A 25 5.612 16.890 10.968 1.00 0.00 C ATOM 401 NZ LYS A 25 5.812 16.613 12.417 1.00 0.00 N ATOM 0 H LYS A 25 5.905 20.356 7.328 1.00 0.00 H new ATOM 0 HA LYS A 25 3.180 19.362 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.752 20.637 9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.160 19.924 9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.113 17.702 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.704 18.432 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.516 19.043 11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.953 18.255 11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.012 16.095 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.576 16.883 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.281 15.692 12.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.405 17.359 12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.890 16.595 12.897 1.00 0.00 H new ATOM 415 N GLY A 26 3.536 22.407 6.539 1.00 0.00 N ATOM 416 CA GLY A 26 2.963 23.744 6.312 1.00 0.00 C ATOM 417 C GLY A 26 2.695 24.055 4.836 1.00 0.00 C ATOM 418 O GLY A 26 3.094 23.301 3.945 1.00 0.00 O ATOM 0 H GLY A 26 4.413 22.272 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.029 23.829 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.643 24.495 6.715 1.00 0.00 H new ATOM 422 N THR A 27 2.019 25.178 4.586 1.00 0.00 N ATOM 423 CA THR A 27 1.692 25.713 3.252 1.00 0.00 C ATOM 424 C THR A 27 2.608 26.885 2.901 1.00 0.00 C ATOM 425 O THR A 27 3.436 27.308 3.706 1.00 0.00 O ATOM 426 CB THR A 27 0.217 26.141 3.201 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.003 27.144 4.163 1.00 0.00 O ATOM 428 CG2 THR A 27 -0.730 24.971 3.486 1.00 0.00 C ATOM 0 H THR A 27 1.666 25.770 5.338 1.00 0.00 H new ATOM 0 HA THR A 27 1.852 24.928 2.513 1.00 0.00 H new ATOM 0 HB THR A 27 0.011 26.508 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.942 27.424 4.135 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.762 25.319 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.577 24.189 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.526 24.571 4.479 1.00 0.00 H new ATOM 436 N LYS A 28 2.456 27.449 1.699 1.00 0.00 N ATOM 437 CA LYS A 28 3.165 28.676 1.299 1.00 0.00 C ATOM 438 C LYS A 28 2.703 29.903 2.118 1.00 0.00 C ATOM 439 O LYS A 28 3.498 30.801 2.400 1.00 0.00 O ATOM 440 CB LYS A 28 2.951 28.872 -0.213 1.00 0.00 C ATOM 441 CG LYS A 28 3.889 29.935 -0.804 1.00 0.00 C ATOM 442 CD LYS A 28 3.703 30.064 -2.323 1.00 0.00 C ATOM 443 CE LYS A 28 4.694 31.099 -2.881 1.00 0.00 C ATOM 444 NZ LYS A 28 4.653 31.164 -4.369 1.00 0.00 N ATOM 0 H LYS A 28 1.842 27.073 0.977 1.00 0.00 H new ATOM 0 HA LYS A 28 4.230 28.574 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.112 27.924 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.916 29.162 -0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.696 30.897 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.924 29.672 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.863 29.098 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.681 30.366 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.463 32.081 -2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.703 30.846 -2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.118 32.037 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.149 30.341 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.664 31.160 -4.690 1.00 0.00 H new ATOM 458 N ASP A 29 1.428 29.928 2.526 1.00 0.00 N ATOM 459 CA ASP A 29 0.836 30.972 3.378 1.00 0.00 C ATOM 460 C ASP A 29 1.231 30.823 4.862 1.00 0.00 C ATOM 461 O ASP A 29 1.392 31.826 5.560 1.00 0.00 O ATOM 462 CB ASP A 29 -0.689 30.919 3.218 1.00 0.00 C ATOM 463 CG ASP A 29 -1.395 32.041 4.001 1.00 0.00 C ATOM 464 OD1 ASP A 29 -1.292 33.219 3.582 1.00 0.00 O ATOM 465 OD2 ASP A 29 -2.076 31.739 5.010 1.00 0.00 O ATOM 0 H ASP A 29 0.759 29.203 2.266 1.00 0.00 H new ATOM 0 HA ASP A 29 1.222 31.939 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.945 30.999 2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.055 29.952 3.562 1.00 0.00 H new ATOM 470 N PHE A 30 1.414 29.581 5.331 1.00 0.00 N ATOM 471 CA PHE A 30 1.803 29.247 6.702 1.00 0.00 C ATOM 472 C PHE A 30 2.877 28.136 6.708 1.00 0.00 C ATOM 473 O PHE A 30 2.545 26.954 6.870 1.00 0.00 O ATOM 474 CB PHE A 30 0.542 28.880 7.503 1.00 0.00 C ATOM 475 CG PHE A 30 0.805 28.653 8.982 1.00 0.00 C ATOM 476 CD1 PHE A 30 1.079 29.752 9.820 1.00 0.00 C ATOM 477 CD2 PHE A 30 0.785 27.354 9.522 1.00 0.00 C ATOM 478 CE1 PHE A 30 1.331 29.552 11.191 1.00 0.00 C ATOM 479 CE2 PHE A 30 1.039 27.155 10.892 1.00 0.00 C ATOM 480 CZ PHE A 30 1.313 28.253 11.726 1.00 0.00 C ATOM 0 H PHE A 30 1.290 28.756 4.744 1.00 0.00 H new ATOM 0 HA PHE A 30 2.263 30.107 7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.194 29.677 7.392 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.102 27.978 7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.096 30.751 9.410 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.574 26.508 8.884 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.538 30.397 11.831 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.023 26.157 11.303 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.509 28.098 12.777 1.00 0.00 H new ATOM 490 N PRO A 31 4.164 28.494 6.508 1.00 0.00 N ATOM 491 CA PRO A 31 5.280 27.550 6.510 1.00 0.00 C ATOM 492 C PRO A 31 5.677 27.147 7.941 1.00 0.00 C ATOM 493 O PRO A 31 5.207 27.724 8.923 1.00 0.00 O ATOM 494 CB PRO A 31 6.413 28.273 5.773 1.00 0.00 C ATOM 495 CG PRO A 31 6.172 29.738 6.127 1.00 0.00 C ATOM 496 CD PRO A 31 4.646 29.829 6.174 1.00 0.00 C ATOM 0 HA PRO A 31 5.024 26.611 6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.393 27.933 6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.367 28.105 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.623 30.002 7.084 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.594 30.409 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.323 30.556 6.919 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.247 30.157 5.214 1.00 0.00 H new ATOM 504 N GLN A 32 6.573 26.159 8.054 1.00 0.00 N ATOM 505 CA GLN A 32 7.110 25.686 9.330 1.00 0.00 C ATOM 506 C GLN A 32 8.328 26.518 9.764 1.00 0.00 C ATOM 507 O GLN A 32 9.082 27.030 8.935 1.00 0.00 O ATOM 508 CB GLN A 32 7.485 24.194 9.219 1.00 0.00 C ATOM 509 CG GLN A 32 6.285 23.281 8.907 1.00 0.00 C ATOM 510 CD GLN A 32 5.190 23.340 9.979 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.084 23.805 9.748 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.452 22.885 11.188 1.00 0.00 N ATOM 0 H GLN A 32 6.949 25.660 7.248 1.00 0.00 H new ATOM 0 HA GLN A 32 6.340 25.805 10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.236 24.073 8.438 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.943 23.872 10.154 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.859 23.566 7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.634 22.253 8.809 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.370 22.494 11.398 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.736 22.924 11.914 1.00 0.00 H new ATOM 521 N CYS A 33 8.525 26.628 11.080 1.00 0.00 N ATOM 522 CA CYS A 33 9.594 27.408 11.719 1.00 0.00 C ATOM 523 C CYS A 33 10.997 26.771 11.570 1.00 0.00 C ATOM 524 O CYS A 33 11.151 25.629 11.128 1.00 0.00 O ATOM 525 CB CYS A 33 9.216 27.616 13.200 1.00 0.00 C ATOM 526 SG CYS A 33 7.646 28.530 13.332 1.00 0.00 S ATOM 0 H CYS A 33 7.923 26.160 11.757 1.00 0.00 H new ATOM 0 HA CYS A 33 9.673 28.368 11.209 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.125 26.651 13.698 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.008 28.165 13.710 1.00 0.00 H new ATOM 0 HG CYS A 33 7.343 28.693 14.586 1.00 0.00 H new ATOM 532 N GLY A 34 12.034 27.518 11.971 1.00 0.00 N ATOM 533 CA GLY A 34 13.428 27.046 12.021 1.00 0.00 C ATOM 534 C GLY A 34 14.053 26.942 10.632 1.00 0.00 C ATOM 535 O GLY A 34 13.859 27.827 9.797 1.00 0.00 O ATOM 0 H GLY A 34 11.928 28.486 12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.019 27.728 12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.462 26.071 12.507 1.00 0.00 H new ATOM 539 N PHE A 35 14.789 25.852 10.374 1.00 0.00 N ATOM 540 CA PHE A 35 15.445 25.596 9.083 1.00 0.00 C ATOM 541 C PHE A 35 14.470 25.712 7.905 1.00 0.00 C ATOM 542 O PHE A 35 14.811 26.306 6.890 1.00 0.00 O ATOM 543 CB PHE A 35 16.107 24.205 9.095 1.00 0.00 C ATOM 544 CG PHE A 35 17.244 24.047 10.087 1.00 0.00 C ATOM 545 CD1 PHE A 35 18.523 24.542 9.769 1.00 0.00 C ATOM 546 CD2 PHE A 35 17.037 23.383 11.310 1.00 0.00 C ATOM 547 CE1 PHE A 35 19.589 24.379 10.671 1.00 0.00 C ATOM 548 CE2 PHE A 35 18.104 23.224 12.213 1.00 0.00 C ATOM 549 CZ PHE A 35 19.380 23.717 11.892 1.00 0.00 C ATOM 0 H PHE A 35 14.948 25.116 11.062 1.00 0.00 H new ATOM 0 HA PHE A 35 16.209 26.361 8.945 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.345 23.458 9.316 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.484 23.989 8.095 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.686 25.049 8.829 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.059 22.995 11.556 1.00 0.00 H new ATOM 0 HE1 PHE A 35 20.568 24.763 10.425 1.00 0.00 H new ATOM 0 HE2 PHE A 35 17.942 22.722 13.155 1.00 0.00 H new ATOM 0 HZ PHE A 35 20.199 23.587 12.584 1.00 0.00 H new ATOM 559 N SER A 36 13.240 25.210 8.035 1.00 0.00 N ATOM 560 CA SER A 36 12.209 25.304 6.988 1.00 0.00 C ATOM 561 C SER A 36 11.882 26.757 6.611 1.00 0.00 C ATOM 562 O SER A 36 11.854 27.085 5.425 1.00 0.00 O ATOM 563 CB SER A 36 10.953 24.554 7.445 1.00 0.00 C ATOM 564 OG SER A 36 11.275 23.191 7.670 1.00 0.00 O ATOM 0 H SER A 36 12.925 24.723 8.874 1.00 0.00 H new ATOM 0 HA SER A 36 12.602 24.839 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.560 25.002 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.172 24.635 6.689 1.00 0.00 H new ATOM 0 HG SER A 36 11.871 22.874 6.960 1.00 0.00 H new ATOM 570 N GLN A 37 11.738 27.660 7.588 1.00 0.00 N ATOM 571 CA GLN A 37 11.501 29.086 7.344 1.00 0.00 C ATOM 572 C GLN A 37 12.689 29.709 6.596 1.00 0.00 C ATOM 573 O GLN A 37 12.492 30.353 5.562 1.00 0.00 O ATOM 574 CB GLN A 37 11.232 29.789 8.688 1.00 0.00 C ATOM 575 CG GLN A 37 10.830 31.269 8.535 1.00 0.00 C ATOM 576 CD GLN A 37 10.503 31.950 9.871 1.00 0.00 C ATOM 577 OE1 GLN A 37 10.613 31.384 10.952 1.00 0.00 O ATOM 578 NE2 GLN A 37 10.089 33.201 9.850 1.00 0.00 N ATOM 0 H GLN A 37 11.783 27.419 8.578 1.00 0.00 H new ATOM 0 HA GLN A 37 10.625 29.214 6.708 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.440 29.258 9.215 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.126 29.725 9.308 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.641 31.810 8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.962 31.337 7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.991 33.691 8.961 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.867 33.679 10.723 1.00 0.00 H new ATOM 587 N THR A 38 13.922 29.433 7.052 1.00 0.00 N ATOM 588 CA THR A 38 15.160 29.876 6.395 1.00 0.00 C ATOM 589 C THR A 38 15.233 29.346 4.968 1.00 0.00 C ATOM 590 O THR A 38 15.512 30.106 4.050 1.00 0.00 O ATOM 591 CB THR A 38 16.378 29.445 7.226 1.00 0.00 C ATOM 592 OG1 THR A 38 16.195 29.882 8.554 1.00 0.00 O ATOM 593 CG2 THR A 38 17.675 30.061 6.705 1.00 0.00 C ATOM 0 H THR A 38 14.088 28.889 7.899 1.00 0.00 H new ATOM 0 HA THR A 38 15.162 30.964 6.335 1.00 0.00 H new ATOM 0 HB THR A 38 16.458 28.360 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.965 29.612 9.096 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.509 29.729 7.323 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.839 29.747 5.674 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.604 31.148 6.746 1.00 0.00 H new ATOM 601 N VAL A 39 14.908 28.073 4.758 1.00 0.00 N ATOM 602 CA VAL A 39 14.855 27.422 3.440 1.00 0.00 C ATOM 603 C VAL A 39 13.795 28.048 2.527 1.00 0.00 C ATOM 604 O VAL A 39 14.092 28.331 1.369 1.00 0.00 O ATOM 605 CB VAL A 39 14.663 25.901 3.598 1.00 0.00 C ATOM 606 CG1 VAL A 39 14.200 25.174 2.334 1.00 0.00 C ATOM 607 CG2 VAL A 39 16.007 25.305 4.030 1.00 0.00 C ATOM 0 H VAL A 39 14.666 27.441 5.521 1.00 0.00 H new ATOM 0 HA VAL A 39 15.812 27.589 2.946 1.00 0.00 H new ATOM 0 HB VAL A 39 13.870 25.762 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.093 24.110 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.240 25.578 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.936 25.315 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.905 24.227 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.759 25.515 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 39 16.314 25.749 4.977 1.00 0.00 H new ATOM 617 N VAL A 40 12.589 28.326 3.033 1.00 0.00 N ATOM 618 CA VAL A 40 11.539 29.021 2.270 1.00 0.00 C ATOM 619 C VAL A 40 12.021 30.406 1.807 1.00 0.00 C ATOM 620 O VAL A 40 11.847 30.748 0.637 1.00 0.00 O ATOM 621 CB VAL A 40 10.228 29.086 3.092 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.238 30.159 2.613 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.535 27.716 3.039 1.00 0.00 C ATOM 0 H VAL A 40 12.310 28.077 3.982 1.00 0.00 H new ATOM 0 HA VAL A 40 11.321 28.452 1.366 1.00 0.00 H new ATOM 0 HB VAL A 40 10.516 29.359 4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.347 30.138 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.706 31.141 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.957 29.960 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.611 27.753 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.307 27.463 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.195 26.958 3.460 1.00 0.00 H new ATOM 633 N GLN A 41 12.690 31.168 2.683 1.00 0.00 N ATOM 634 CA GLN A 41 13.320 32.443 2.309 1.00 0.00 C ATOM 635 C GLN A 41 14.471 32.256 1.304 1.00 0.00 C ATOM 636 O GLN A 41 14.575 33.040 0.362 1.00 0.00 O ATOM 637 CB GLN A 41 13.805 33.182 3.572 1.00 0.00 C ATOM 638 CG GLN A 41 12.662 33.672 4.477 1.00 0.00 C ATOM 639 CD GLN A 41 11.833 34.785 3.831 1.00 0.00 C ATOM 640 OE1 GLN A 41 10.824 34.547 3.179 1.00 0.00 O ATOM 641 NE2 GLN A 41 12.235 36.033 3.959 1.00 0.00 N ATOM 0 H GLN A 41 12.810 30.921 3.665 1.00 0.00 H new ATOM 0 HA GLN A 41 12.565 33.049 1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.452 32.518 4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.411 34.037 3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.010 32.833 4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.078 34.034 5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.074 36.246 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.708 36.786 3.518 1.00 0.00 H new ATOM 650 N ILE A 42 15.301 31.217 1.459 1.00 0.00 N ATOM 651 CA ILE A 42 16.433 30.894 0.566 1.00 0.00 C ATOM 652 C ILE A 42 15.981 30.644 -0.871 1.00 0.00 C ATOM 653 O ILE A 42 16.492 31.316 -1.762 1.00 0.00 O ATOM 654 CB ILE A 42 17.260 29.715 1.157 1.00 0.00 C ATOM 655 CG1 ILE A 42 18.229 30.260 2.229 1.00 0.00 C ATOM 656 CG2 ILE A 42 18.030 28.876 0.111 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.919 29.171 3.065 1.00 0.00 C ATOM 0 H ILE A 42 15.205 30.556 2.230 1.00 0.00 H new ATOM 0 HA ILE A 42 17.089 31.763 0.513 1.00 0.00 H new ATOM 0 HB ILE A 42 16.539 29.026 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.992 30.865 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.679 30.922 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.576 28.079 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.325 28.441 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.732 29.516 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.582 29.637 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.166 28.580 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.500 28.522 2.409 1.00 0.00 H new ATOM 669 N LEU A 43 15.019 29.744 -1.123 1.00 0.00 N ATOM 670 CA LEU A 43 14.577 29.447 -2.496 1.00 0.00 C ATOM 671 C LEU A 43 13.912 30.670 -3.130 1.00 0.00 C ATOM 672 O LEU A 43 14.269 31.081 -4.239 1.00 0.00 O ATOM 673 CB LEU A 43 13.637 28.217 -2.526 1.00 0.00 C ATOM 674 CG LEU A 43 14.289 26.817 -2.445 1.00 0.00 C ATOM 675 CD1 LEU A 43 15.485 26.663 -3.395 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.702 26.422 -1.030 1.00 0.00 C ATOM 0 H LEU A 43 14.534 29.212 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 43 15.458 29.201 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.936 28.310 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.052 28.263 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 43 13.503 26.133 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.902 25.661 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.156 26.818 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.247 27.400 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.152 25.429 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 43 15.425 27.142 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.824 26.412 -0.384 1.00 0.00 H new ATOM 688 N LYS A 44 12.990 31.302 -2.401 1.00 0.00 N ATOM 689 CA LYS A 44 12.346 32.541 -2.834 1.00 0.00 C ATOM 690 C LYS A 44 13.403 33.559 -3.299 1.00 0.00 C ATOM 691 O LYS A 44 13.407 33.927 -4.473 1.00 0.00 O ATOM 692 CB LYS A 44 11.466 33.044 -1.677 1.00 0.00 C ATOM 693 CG LYS A 44 10.592 34.244 -2.068 1.00 0.00 C ATOM 694 CD LYS A 44 9.644 34.590 -0.910 1.00 0.00 C ATOM 695 CE LYS A 44 8.642 35.701 -1.270 1.00 0.00 C ATOM 696 NZ LYS A 44 9.279 37.040 -1.416 1.00 0.00 N ATOM 0 H LYS A 44 12.669 30.967 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 44 11.703 32.378 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.826 32.231 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.103 33.323 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.220 35.102 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.017 34.012 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.096 33.695 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.232 34.903 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.140 35.441 -2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.874 35.753 -0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.554 37.745 -1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.735 37.307 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.993 37.004 -2.171 1.00 0.00 H new ATOM 710 N SER A 45 14.358 33.897 -2.421 1.00 0.00 N ATOM 711 CA SER A 45 15.426 34.891 -2.645 1.00 0.00 C ATOM 712 C SER A 45 16.454 34.485 -3.719 1.00 0.00 C ATOM 713 O SER A 45 16.968 35.350 -4.431 1.00 0.00 O ATOM 714 CB SER A 45 16.190 35.170 -1.336 1.00 0.00 C ATOM 715 OG SER A 45 15.325 35.519 -0.264 1.00 0.00 O ATOM 0 H SER A 45 14.413 33.470 -1.496 1.00 0.00 H new ATOM 0 HA SER A 45 14.909 35.781 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.766 34.287 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.903 35.978 -1.501 1.00 0.00 H new ATOM 0 HG SER A 45 14.823 34.728 0.022 1.00 0.00 H new ATOM 721 N LEU A 46 16.725 33.180 -3.874 1.00 0.00 N ATOM 722 CA LEU A 46 17.509 32.609 -4.980 1.00 0.00 C ATOM 723 C LEU A 46 16.849 32.905 -6.344 1.00 0.00 C ATOM 724 O LEU A 46 17.542 32.913 -7.360 1.00 0.00 O ATOM 725 CB LEU A 46 17.701 31.107 -4.682 1.00 0.00 C ATOM 726 CG LEU A 46 18.508 30.274 -5.691 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.920 30.823 -5.929 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.610 28.841 -5.144 1.00 0.00 C ATOM 0 H LEU A 46 16.396 32.474 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 46 18.493 33.072 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.186 31.018 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.714 30.655 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 46 17.991 30.310 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.439 30.192 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.855 31.839 -6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.472 30.828 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.179 28.225 -5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.114 28.855 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.610 28.425 -5.025 1.00 0.00 H new ATOM 740 N ASN A 47 15.530 33.162 -6.327 1.00 0.00 N ATOM 741 CA ASN A 47 14.630 33.693 -7.378 1.00 0.00 C ATOM 742 C ASN A 47 13.579 32.660 -7.823 1.00 0.00 C ATOM 743 O ASN A 47 13.193 32.598 -8.993 1.00 0.00 O ATOM 744 CB ASN A 47 15.370 34.369 -8.557 1.00 0.00 C ATOM 745 CG ASN A 47 14.466 35.242 -9.430 1.00 0.00 C ATOM 746 OD1 ASN A 47 13.451 35.776 -8.989 1.00 0.00 O ATOM 747 ND2 ASN A 47 14.815 35.425 -10.693 1.00 0.00 N ATOM 0 H ASN A 47 15.000 32.982 -5.474 1.00 0.00 H new ATOM 0 HA ASN A 47 14.077 34.507 -6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.181 34.981 -8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.826 33.598 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.241 36.010 -11.301 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.658 34.982 -11.059 1.00 0.00 H new ATOM 754 N ALA A 48 13.135 31.802 -6.900 1.00 0.00 N ATOM 755 CA ALA A 48 12.313 30.639 -7.261 1.00 0.00 C ATOM 756 C ALA A 48 10.799 30.949 -7.279 1.00 0.00 C ATOM 757 O ALA A 48 10.314 31.584 -6.338 1.00 0.00 O ATOM 758 CB ALA A 48 12.621 29.479 -6.306 1.00 0.00 C ATOM 0 H ALA A 48 13.328 31.888 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 48 12.574 30.358 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.011 28.616 -6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.676 29.216 -6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.395 29.780 -5.283 1.00 0.00 H new ATOM 764 N PRO A 49 10.032 30.446 -8.274 1.00 0.00 N ATOM 765 CA PRO A 49 8.567 30.477 -8.288 1.00 0.00 C ATOM 766 C PRO A 49 8.029 29.299 -7.443 1.00 0.00 C ATOM 767 O PRO A 49 7.197 28.508 -7.889 1.00 0.00 O ATOM 768 CB PRO A 49 8.208 30.388 -9.778 1.00 0.00 C ATOM 769 CG PRO A 49 9.275 29.434 -10.311 1.00 0.00 C ATOM 770 CD PRO A 49 10.514 29.803 -9.493 1.00 0.00 C ATOM 0 HA PRO A 49 8.123 31.370 -7.848 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.201 30.000 -9.932 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.252 31.362 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.992 28.392 -10.165 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.442 29.573 -11.379 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.101 28.915 -9.257 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.163 30.475 -10.055 1.00 0.00 H new ATOM 778 N PHE A 50 8.561 29.173 -6.221 1.00 0.00 N ATOM 779 CA PHE A 50 8.402 28.035 -5.318 1.00 0.00 C ATOM 780 C PHE A 50 6.973 27.814 -4.790 1.00 0.00 C ATOM 781 O PHE A 50 6.111 28.694 -4.872 1.00 0.00 O ATOM 782 CB PHE A 50 9.395 28.204 -4.142 1.00 0.00 C ATOM 783 CG PHE A 50 8.864 29.044 -2.992 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.768 30.441 -3.117 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.398 28.416 -1.819 1.00 0.00 C ATOM 786 CE1 PHE A 50 8.194 31.203 -2.086 1.00 0.00 C ATOM 787 CE2 PHE A 50 7.826 29.178 -0.787 1.00 0.00 C ATOM 788 CZ PHE A 50 7.721 30.574 -0.921 1.00 0.00 C ATOM 0 H PHE A 50 9.146 29.905 -5.817 1.00 0.00 H new ATOM 0 HA PHE A 50 8.616 27.139 -5.901 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.663 27.218 -3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.311 28.660 -4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.136 30.929 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.481 27.344 -1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.116 32.275 -2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.467 28.692 0.108 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.278 31.162 -0.131 1.00 0.00 H new ATOM 798 N GLU A 51 6.761 26.660 -4.151 1.00 0.00 N ATOM 799 CA GLU A 51 5.548 26.369 -3.387 1.00 0.00 C ATOM 800 C GLU A 51 5.839 25.389 -2.244 1.00 0.00 C ATOM 801 O GLU A 51 6.437 24.334 -2.440 1.00 0.00 O ATOM 802 CB GLU A 51 4.426 25.858 -4.308 1.00 0.00 C ATOM 803 CG GLU A 51 3.117 25.613 -3.543 1.00 0.00 C ATOM 804 CD GLU A 51 1.943 25.369 -4.503 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.951 24.353 -5.236 1.00 0.00 O ATOM 806 OE2 GLU A 51 0.992 26.187 -4.515 1.00 0.00 O ATOM 0 H GLU A 51 7.435 25.894 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 51 5.199 27.298 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.251 26.584 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.744 24.932 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.235 24.753 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.898 26.472 -2.909 1.00 0.00 H new ATOM 813 N SER A 52 5.399 25.728 -1.032 1.00 0.00 N ATOM 814 CA SER A 52 5.403 24.801 0.106 1.00 0.00 C ATOM 815 C SER A 52 4.066 24.042 0.144 1.00 0.00 C ATOM 816 O SER A 52 3.001 24.665 0.178 1.00 0.00 O ATOM 817 CB SER A 52 5.622 25.554 1.418 1.00 0.00 C ATOM 818 OG SER A 52 6.907 26.149 1.434 1.00 0.00 O ATOM 0 H SER A 52 5.029 26.652 -0.809 1.00 0.00 H new ATOM 0 HA SER A 52 6.222 24.092 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.857 26.321 1.537 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.520 24.869 2.260 1.00 0.00 H new ATOM 0 HG SER A 52 7.034 26.630 2.278 1.00 0.00 H new ATOM 824 N VAL A 53 4.114 22.707 0.128 1.00 0.00 N ATOM 825 CA VAL A 53 2.939 21.822 0.073 1.00 0.00 C ATOM 826 C VAL A 53 2.836 21.039 1.382 1.00 0.00 C ATOM 827 O VAL A 53 3.781 20.354 1.774 1.00 0.00 O ATOM 828 CB VAL A 53 3.029 20.865 -1.138 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.888 19.834 -1.154 1.00 0.00 C ATOM 830 CG2 VAL A 53 3.000 21.656 -2.458 1.00 0.00 C ATOM 0 H VAL A 53 4.995 22.194 0.154 1.00 0.00 H new ATOM 0 HA VAL A 53 2.040 22.426 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 53 3.974 20.331 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.996 19.185 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.928 19.233 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.930 20.352 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.064 20.964 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.070 22.221 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.845 22.344 -2.489 1.00 0.00 H new ATOM 840 N ASN A 54 1.670 21.128 2.033 1.00 0.00 N ATOM 841 CA ASN A 54 1.397 20.438 3.293 1.00 0.00 C ATOM 842 C ASN A 54 1.157 18.934 3.059 1.00 0.00 C ATOM 843 O ASN A 54 0.062 18.524 2.674 1.00 0.00 O ATOM 844 CB ASN A 54 0.210 21.101 4.014 1.00 0.00 C ATOM 845 CG ASN A 54 -0.108 20.443 5.357 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.593 19.559 5.833 1.00 0.00 O ATOM 847 ND2 ASN A 54 -1.185 20.851 6.001 1.00 0.00 N ATOM 0 H ASN A 54 0.886 21.686 1.695 1.00 0.00 H new ATOM 0 HA ASN A 54 2.272 20.525 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.431 22.156 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.671 21.054 3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.434 20.430 6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.768 21.587 5.604 1.00 0.00 H new ATOM 854 N ILE A 55 2.164 18.096 3.331 1.00 0.00 N ATOM 855 CA ILE A 55 2.045 16.632 3.146 1.00 0.00 C ATOM 856 C ILE A 55 1.153 15.954 4.192 1.00 0.00 C ATOM 857 O ILE A 55 0.579 14.905 3.913 1.00 0.00 O ATOM 858 CB ILE A 55 3.422 15.945 3.088 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.295 16.265 4.318 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.152 16.326 1.794 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.312 15.178 4.633 1.00 0.00 C ATOM 0 H ILE A 55 3.073 18.400 3.680 1.00 0.00 H new ATOM 0 HA ILE A 55 1.553 16.506 2.182 1.00 0.00 H new ATOM 0 HB ILE A 55 3.246 14.869 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.819 17.205 4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.650 16.412 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.124 15.833 1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.560 16.009 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.292 17.406 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.893 15.466 5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.793 14.241 4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.980 15.047 3.782 1.00 0.00 H new ATOM 873 N LEU A 56 0.999 16.558 5.374 1.00 0.00 N ATOM 874 CA LEU A 56 0.191 16.041 6.483 1.00 0.00 C ATOM 875 C LEU A 56 -1.321 16.275 6.293 1.00 0.00 C ATOM 876 O LEU A 56 -2.118 15.826 7.119 1.00 0.00 O ATOM 877 CB LEU A 56 0.739 16.645 7.803 1.00 0.00 C ATOM 878 CG LEU A 56 1.614 15.702 8.658 1.00 0.00 C ATOM 879 CD1 LEU A 56 0.784 14.558 9.260 1.00 0.00 C ATOM 880 CD2 LEU A 56 2.816 15.147 7.876 1.00 0.00 C ATOM 0 H LEU A 56 1.447 17.448 5.592 1.00 0.00 H new ATOM 0 HA LEU A 56 0.284 14.956 6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.324 17.532 7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.105 16.975 8.408 1.00 0.00 H new ATOM 0 HG LEU A 56 2.010 16.305 9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.431 13.914 9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.000 14.972 9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.331 13.976 8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.398 14.490 8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.460 14.585 7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.443 15.972 7.538 1.00 0.00 H new ATOM 892 N GLU A 57 -1.725 16.931 5.199 1.00 0.00 N ATOM 893 CA GLU A 57 -3.128 17.130 4.818 1.00 0.00 C ATOM 894 C GLU A 57 -3.843 15.809 4.448 1.00 0.00 C ATOM 895 O GLU A 57 -5.064 15.712 4.587 1.00 0.00 O ATOM 896 CB GLU A 57 -3.171 18.142 3.656 1.00 0.00 C ATOM 897 CG GLU A 57 -4.586 18.655 3.353 1.00 0.00 C ATOM 898 CD GLU A 57 -4.553 19.779 2.311 1.00 0.00 C ATOM 899 OE1 GLU A 57 -4.402 20.962 2.701 1.00 0.00 O ATOM 900 OE2 GLU A 57 -4.685 19.489 1.097 1.00 0.00 O ATOM 0 H GLU A 57 -1.069 17.348 4.538 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.674 17.520 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.528 18.989 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.761 17.675 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.204 17.834 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.049 19.019 4.270 1.00 0.00 H new ATOM 907 N ASN A 58 -3.103 14.775 4.015 1.00 0.00 N ATOM 908 CA ASN A 58 -3.656 13.472 3.618 1.00 0.00 C ATOM 909 C ASN A 58 -2.615 12.345 3.775 1.00 0.00 C ATOM 910 O ASN A 58 -1.473 12.489 3.339 1.00 0.00 O ATOM 911 CB ASN A 58 -4.173 13.581 2.166 1.00 0.00 C ATOM 912 CG ASN A 58 -5.058 12.418 1.717 1.00 0.00 C ATOM 913 OD1 ASN A 58 -5.080 11.346 2.307 1.00 0.00 O ATOM 914 ND2 ASN A 58 -5.810 12.595 0.646 1.00 0.00 N ATOM 0 H ASN A 58 -2.088 14.823 3.930 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.485 13.210 4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.735 14.509 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.318 13.650 1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.408 11.839 0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.793 13.488 0.153 1.00 0.00 H new ATOM 921 N GLU A 59 -3.001 11.202 4.354 1.00 0.00 N ATOM 922 CA GLU A 59 -2.093 10.072 4.599 1.00 0.00 C ATOM 923 C GLU A 59 -1.442 9.525 3.326 1.00 0.00 C ATOM 924 O GLU A 59 -0.236 9.280 3.339 1.00 0.00 O ATOM 925 CB GLU A 59 -2.820 8.945 5.355 1.00 0.00 C ATOM 926 CG GLU A 59 -2.840 9.173 6.870 1.00 0.00 C ATOM 927 CD GLU A 59 -1.421 9.139 7.457 1.00 0.00 C ATOM 928 OE1 GLU A 59 -0.761 8.079 7.385 1.00 0.00 O ATOM 929 OE2 GLU A 59 -0.935 10.177 7.961 1.00 0.00 O ATOM 0 H GLU A 59 -3.957 11.033 4.668 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.284 10.462 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.844 8.868 4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.332 7.994 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.304 10.135 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.452 8.408 7.347 1.00 0.00 H new ATOM 936 N LEU A 60 -2.175 9.386 2.212 1.00 0.00 N ATOM 937 CA LEU A 60 -1.582 8.887 0.963 1.00 0.00 C ATOM 938 C LEU A 60 -0.510 9.825 0.383 1.00 0.00 C ATOM 939 O LEU A 60 0.416 9.346 -0.266 1.00 0.00 O ATOM 940 CB LEU A 60 -2.660 8.428 -0.049 1.00 0.00 C ATOM 941 CG LEU A 60 -3.801 9.383 -0.467 1.00 0.00 C ATOM 942 CD1 LEU A 60 -3.327 10.688 -1.121 1.00 0.00 C ATOM 943 CD2 LEU A 60 -4.713 8.645 -1.458 1.00 0.00 C ATOM 0 H LEU A 60 -3.168 9.609 2.150 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.025 7.984 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.140 8.130 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.125 7.531 0.361 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.319 9.667 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.191 11.299 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.694 11.236 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.759 10.458 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.525 9.304 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.135 8.349 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.127 7.757 -0.980 1.00 0.00 H new ATOM 955 N LEU A 61 -0.559 11.128 0.688 1.00 0.00 N ATOM 956 CA LEU A 61 0.473 12.098 0.314 1.00 0.00 C ATOM 957 C LEU A 61 1.692 11.965 1.241 1.00 0.00 C ATOM 958 O LEU A 61 2.813 11.848 0.747 1.00 0.00 O ATOM 959 CB LEU A 61 -0.167 13.502 0.306 1.00 0.00 C ATOM 960 CG LEU A 61 0.786 14.670 -0.012 1.00 0.00 C ATOM 961 CD1 LEU A 61 1.471 14.546 -1.378 1.00 0.00 C ATOM 962 CD2 LEU A 61 -0.007 15.987 0.033 1.00 0.00 C ATOM 0 H LEU A 61 -1.331 11.543 1.210 1.00 0.00 H new ATOM 0 HA LEU A 61 0.856 11.909 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.976 13.508 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.618 13.681 1.282 1.00 0.00 H new ATOM 0 HG LEU A 61 1.575 14.650 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.127 15.402 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.059 13.628 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.715 14.519 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.659 16.820 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.808 15.955 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.434 16.121 1.027 1.00 0.00 H new ATOM 974 N ARG A 62 1.476 11.893 2.564 1.00 0.00 N ATOM 975 CA ARG A 62 2.535 11.644 3.556 1.00 0.00 C ATOM 976 C ARG A 62 3.298 10.334 3.278 1.00 0.00 C ATOM 977 O ARG A 62 4.530 10.318 3.297 1.00 0.00 O ATOM 978 CB ARG A 62 1.925 11.641 4.972 1.00 0.00 C ATOM 979 CG ARG A 62 3.012 11.632 6.065 1.00 0.00 C ATOM 980 CD ARG A 62 2.433 11.509 7.482 1.00 0.00 C ATOM 981 NE ARG A 62 1.879 10.168 7.740 1.00 0.00 N ATOM 982 CZ ARG A 62 2.535 9.068 8.087 1.00 0.00 C ATOM 983 NH1 ARG A 62 3.842 9.035 8.263 1.00 0.00 N ATOM 984 NH2 ARG A 62 1.852 7.962 8.261 1.00 0.00 N ATOM 0 H ARG A 62 0.552 12.007 2.980 1.00 0.00 H new ATOM 0 HA ARG A 62 3.266 12.449 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.292 12.519 5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.284 10.767 5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.695 10.802 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.598 12.549 5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.213 11.725 8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.652 12.256 7.620 1.00 0.00 H new ATOM 0 HE ARG A 62 0.868 10.074 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.396 9.882 8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.299 8.163 8.530 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.841 7.961 8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.332 7.103 8.528 1.00 0.00 H new ATOM 998 N GLN A 63 2.573 9.238 3.030 1.00 0.00 N ATOM 999 CA GLN A 63 3.143 7.901 2.824 1.00 0.00 C ATOM 1000 C GLN A 63 3.710 7.716 1.405 1.00 0.00 C ATOM 1001 O GLN A 63 4.771 7.110 1.251 1.00 0.00 O ATOM 1002 CB GLN A 63 2.068 6.832 3.104 1.00 0.00 C ATOM 1003 CG GLN A 63 1.615 6.761 4.578 1.00 0.00 C ATOM 1004 CD GLN A 63 0.579 5.654 4.827 1.00 0.00 C ATOM 1005 OE1 GLN A 63 0.586 4.593 4.211 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -0.356 5.839 5.739 1.00 0.00 N ATOM 0 H GLN A 63 1.555 9.255 2.966 1.00 0.00 H new ATOM 0 HA GLN A 63 3.975 7.788 3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.199 7.034 2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.455 5.857 2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.484 6.589 5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.191 7.722 4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.388 6.711 6.267 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.047 5.110 5.916 1.00 0.00 H new ATOM 1015 N GLY A 64 3.026 8.222 0.367 1.00 0.00 N ATOM 1016 CA GLY A 64 3.356 7.933 -1.035 1.00 0.00 C ATOM 1017 C GLY A 64 4.520 8.749 -1.596 1.00 0.00 C ATOM 1018 O GLY A 64 5.244 8.252 -2.459 1.00 0.00 O ATOM 0 H GLY A 64 2.226 8.845 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.594 6.873 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.473 8.116 -1.647 1.00 0.00 H new ATOM 1022 N LEU A 65 4.752 9.969 -1.095 1.00 0.00 N ATOM 1023 CA LEU A 65 5.845 10.840 -1.555 1.00 0.00 C ATOM 1024 C LEU A 65 7.227 10.179 -1.413 1.00 0.00 C ATOM 1025 O LEU A 65 8.069 10.326 -2.295 1.00 0.00 O ATOM 1026 CB LEU A 65 5.769 12.165 -0.779 1.00 0.00 C ATOM 1027 CG LEU A 65 6.901 13.158 -1.114 1.00 0.00 C ATOM 1028 CD1 LEU A 65 6.864 13.632 -2.574 1.00 0.00 C ATOM 1029 CD2 LEU A 65 6.797 14.356 -0.174 1.00 0.00 C ATOM 0 H LEU A 65 4.185 10.383 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 65 5.721 11.027 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.810 12.640 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.794 11.950 0.289 1.00 0.00 H new ATOM 0 HG LEU A 65 7.851 12.641 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.684 14.328 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.967 12.774 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.915 14.131 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.592 15.066 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.829 14.840 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.895 14.018 0.858 1.00 0.00 H new ATOM 1041 N LYS A 66 7.438 9.401 -0.345 1.00 0.00 N ATOM 1042 CA LYS A 66 8.661 8.617 -0.118 1.00 0.00 C ATOM 1043 C LYS A 66 9.052 7.767 -1.343 1.00 0.00 C ATOM 1044 O LYS A 66 10.224 7.747 -1.722 1.00 0.00 O ATOM 1045 CB LYS A 66 8.432 7.751 1.137 1.00 0.00 C ATOM 1046 CG LYS A 66 9.559 6.742 1.409 1.00 0.00 C ATOM 1047 CD LYS A 66 9.298 5.940 2.693 1.00 0.00 C ATOM 1048 CE LYS A 66 10.276 4.763 2.828 1.00 0.00 C ATOM 1049 NZ LYS A 66 9.873 3.594 1.996 1.00 0.00 N ATOM 0 H LYS A 66 6.751 9.296 0.401 1.00 0.00 H new ATOM 0 HA LYS A 66 9.504 9.290 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.325 8.404 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.492 7.210 1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.649 6.059 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.509 7.270 1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.394 6.595 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.274 5.566 2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.274 5.088 2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.334 4.459 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.667 2.925 1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.057 3.121 2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.614 3.919 1.043 1.00 0.00 H new ATOM 1063 N GLU A 67 8.081 7.101 -1.975 1.00 0.00 N ATOM 1064 CA GLU A 67 8.301 6.274 -3.168 1.00 0.00 C ATOM 1065 C GLU A 67 8.319 7.102 -4.467 1.00 0.00 C ATOM 1066 O GLU A 67 9.024 6.742 -5.413 1.00 0.00 O ATOM 1067 CB GLU A 67 7.219 5.184 -3.262 1.00 0.00 C ATOM 1068 CG GLU A 67 7.143 4.255 -2.039 1.00 0.00 C ATOM 1069 CD GLU A 67 8.468 3.525 -1.765 1.00 0.00 C ATOM 1070 OE1 GLU A 67 8.900 2.702 -2.610 1.00 0.00 O ATOM 1071 OE2 GLU A 67 9.073 3.756 -0.690 1.00 0.00 O ATOM 0 H GLU A 67 7.108 7.120 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 67 9.284 5.816 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.250 5.663 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.405 4.580 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.866 4.839 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.353 3.520 -2.195 1.00 0.00 H new ATOM 1078 N TYR A 68 7.581 8.220 -4.523 1.00 0.00 N ATOM 1079 CA TYR A 68 7.570 9.137 -5.671 1.00 0.00 C ATOM 1080 C TYR A 68 8.933 9.822 -5.908 1.00 0.00 C ATOM 1081 O TYR A 68 9.356 9.967 -7.058 1.00 0.00 O ATOM 1082 CB TYR A 68 6.468 10.183 -5.457 1.00 0.00 C ATOM 1083 CG TYR A 68 6.234 11.104 -6.639 1.00 0.00 C ATOM 1084 CD1 TYR A 68 5.409 10.690 -7.704 1.00 0.00 C ATOM 1085 CD2 TYR A 68 6.801 12.395 -6.652 1.00 0.00 C ATOM 1086 CE1 TYR A 68 5.148 11.560 -8.781 1.00 0.00 C ATOM 1087 CE2 TYR A 68 6.542 13.271 -7.722 1.00 0.00 C ATOM 1088 CZ TYR A 68 5.714 12.859 -8.790 1.00 0.00 C ATOM 1089 OH TYR A 68 5.454 13.717 -9.815 1.00 0.00 O ATOM 0 H TYR A 68 6.968 8.516 -3.763 1.00 0.00 H new ATOM 0 HA TYR A 68 7.369 8.551 -6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.536 9.668 -5.225 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.723 10.788 -4.587 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.975 9.701 -7.694 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.436 12.712 -5.838 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.518 11.238 -9.597 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.977 14.260 -7.727 1.00 0.00 H new ATOM 0 HH TYR A 68 5.922 14.564 -9.659 1.00 0.00 H new ATOM 1099 N SER A 69 9.636 10.224 -4.843 1.00 0.00 N ATOM 1100 CA SER A 69 11.023 10.706 -4.928 1.00 0.00 C ATOM 1101 C SER A 69 12.039 9.556 -4.804 1.00 0.00 C ATOM 1102 O SER A 69 12.707 9.223 -5.783 1.00 0.00 O ATOM 1103 CB SER A 69 11.266 11.802 -3.874 1.00 0.00 C ATOM 1104 OG SER A 69 11.032 11.366 -2.544 1.00 0.00 O ATOM 0 H SER A 69 9.260 10.225 -3.895 1.00 0.00 H new ATOM 0 HA SER A 69 11.173 11.142 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.294 12.155 -3.957 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.619 12.652 -4.089 1.00 0.00 H new ATOM 0 HG SER A 69 10.750 12.127 -1.995 1.00 0.00 H new ATOM 1110 N SER A 70 12.116 8.951 -3.614 1.00 0.00 N ATOM 1111 CA SER A 70 13.027 7.926 -3.043 1.00 0.00 C ATOM 1112 C SER A 70 13.573 8.368 -1.665 1.00 0.00 C ATOM 1113 O SER A 70 14.151 7.552 -0.940 1.00 0.00 O ATOM 1114 CB SER A 70 14.207 7.509 -3.944 1.00 0.00 C ATOM 1115 OG SER A 70 13.767 6.917 -5.152 1.00 0.00 O ATOM 0 H SER A 70 11.428 9.208 -2.906 1.00 0.00 H new ATOM 0 HA SER A 70 12.395 7.043 -2.946 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.818 8.383 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.843 6.806 -3.406 1.00 0.00 H new ATOM 0 HG SER A 70 13.378 7.605 -5.731 1.00 0.00 H new ATOM 1121 N TRP A 71 13.397 9.643 -1.279 1.00 0.00 N ATOM 1122 CA TRP A 71 13.861 10.189 0.003 1.00 0.00 C ATOM 1123 C TRP A 71 13.099 9.564 1.199 1.00 0.00 C ATOM 1124 O TRP A 71 11.866 9.483 1.141 1.00 0.00 O ATOM 1125 CB TRP A 71 13.711 11.714 -0.022 1.00 0.00 C ATOM 1126 CG TRP A 71 14.267 12.416 1.177 1.00 0.00 C ATOM 1127 CD1 TRP A 71 13.543 12.814 2.242 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.655 12.771 1.483 1.00 0.00 C ATOM 1129 NE1 TRP A 71 14.373 13.415 3.164 1.00 0.00 N ATOM 1130 CE2 TRP A 71 15.690 13.389 2.768 1.00 0.00 C ATOM 1131 CE3 TRP A 71 16.895 12.593 0.830 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 16.884 13.802 3.376 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 18.102 13.006 1.429 1.00 0.00 C ATOM 1134 CH2 TRP A 71 18.100 13.604 2.701 1.00 0.00 C ATOM 0 H TRP A 71 12.920 10.333 -1.860 1.00 0.00 H new ATOM 0 HA TRP A 71 14.912 9.934 0.139 1.00 0.00 H new ATOM 0 HB2 TRP A 71 14.205 12.100 -0.914 1.00 0.00 H new ATOM 0 HB3 TRP A 71 12.653 11.960 -0.112 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.477 12.682 2.355 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.049 13.830 4.037 1.00 0.00 H new ATOM 0 HE3 TRP A 71 16.918 12.132 -0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 16.869 14.266 4.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 19.036 12.862 0.906 1.00 0.00 H new ATOM 0 HH2 TRP A 71 19.030 13.910 3.158 1.00 0.00 H new ATOM 1145 N PRO A 72 13.784 9.144 2.285 1.00 0.00 N ATOM 1146 CA PRO A 72 13.174 8.347 3.350 1.00 0.00 C ATOM 1147 C PRO A 72 12.267 9.122 4.319 1.00 0.00 C ATOM 1148 O PRO A 72 11.201 8.610 4.661 1.00 0.00 O ATOM 1149 CB PRO A 72 14.352 7.700 4.094 1.00 0.00 C ATOM 1150 CG PRO A 72 15.504 8.678 3.879 1.00 0.00 C ATOM 1151 CD PRO A 72 15.230 9.207 2.473 1.00 0.00 C ATOM 0 HA PRO A 72 12.491 7.624 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.132 7.569 5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.585 6.714 3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.502 9.477 4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.473 8.184 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.592 10.230 2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.746 8.606 1.724 1.00 0.00 H new ATOM 1159 N THR A 73 12.669 10.321 4.775 1.00 0.00 N ATOM 1160 CA THR A 73 11.988 11.052 5.868 1.00 0.00 C ATOM 1161 C THR A 73 11.955 12.557 5.621 1.00 0.00 C ATOM 1162 O THR A 73 13.000 13.205 5.578 1.00 0.00 O ATOM 1163 CB THR A 73 12.653 10.780 7.230 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.031 11.067 7.154 1.00 0.00 O ATOM 1165 CG2 THR A 73 12.481 9.335 7.704 1.00 0.00 C ATOM 0 H THR A 73 13.477 10.815 4.397 1.00 0.00 H new ATOM 0 HA THR A 73 10.964 10.680 5.886 1.00 0.00 H new ATOM 0 HB THR A 73 12.155 11.428 7.952 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.172 11.840 6.569 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.972 9.208 8.669 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.419 9.109 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.929 8.658 6.977 1.00 0.00 H new ATOM 1173 N PHE A 74 10.748 13.111 5.498 1.00 0.00 N ATOM 1174 CA PHE A 74 10.488 14.541 5.294 1.00 0.00 C ATOM 1175 C PHE A 74 11.019 15.435 6.450 1.00 0.00 C ATOM 1176 O PHE A 74 11.178 14.933 7.569 1.00 0.00 O ATOM 1177 CB PHE A 74 8.974 14.723 5.065 1.00 0.00 C ATOM 1178 CG PHE A 74 8.086 14.083 6.121 1.00 0.00 C ATOM 1179 CD1 PHE A 74 7.840 14.736 7.344 1.00 0.00 C ATOM 1180 CD2 PHE A 74 7.479 12.838 5.865 1.00 0.00 C ATOM 1181 CE1 PHE A 74 6.994 14.148 8.301 1.00 0.00 C ATOM 1182 CE2 PHE A 74 6.634 12.249 6.823 1.00 0.00 C ATOM 1183 CZ PHE A 74 6.392 12.906 8.043 1.00 0.00 C ATOM 0 H PHE A 74 9.892 12.558 5.539 1.00 0.00 H new ATOM 0 HA PHE A 74 11.041 14.877 4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.753 15.790 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.716 14.305 4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.302 15.691 7.548 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.663 12.333 4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.807 14.653 9.237 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.172 11.294 6.622 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.744 12.456 8.780 1.00 0.00 H new ATOM 1193 N PRO A 75 11.242 16.757 6.236 1.00 0.00 N ATOM 1194 CA PRO A 75 11.088 17.527 4.993 1.00 0.00 C ATOM 1195 C PRO A 75 11.948 17.061 3.812 1.00 0.00 C ATOM 1196 O PRO A 75 12.960 16.386 3.997 1.00 0.00 O ATOM 1197 CB PRO A 75 11.474 18.968 5.351 1.00 0.00 C ATOM 1198 CG PRO A 75 11.154 19.062 6.837 1.00 0.00 C ATOM 1199 CD PRO A 75 11.548 17.674 7.329 1.00 0.00 C ATOM 0 HA PRO A 75 10.062 17.402 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.528 19.162 5.154 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.903 19.693 4.771 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.726 19.848 7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.100 19.275 7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.607 17.637 7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.994 17.407 8.229 1.00 0.00 H new ATOM 1207 N GLN A 76 11.561 17.473 2.600 1.00 0.00 N ATOM 1208 CA GLN A 76 12.330 17.259 1.366 1.00 0.00 C ATOM 1209 C GLN A 76 11.993 18.320 0.305 1.00 0.00 C ATOM 1210 O GLN A 76 10.953 18.984 0.375 1.00 0.00 O ATOM 1211 CB GLN A 76 12.131 15.825 0.837 1.00 0.00 C ATOM 1212 CG GLN A 76 10.726 15.559 0.271 1.00 0.00 C ATOM 1213 CD GLN A 76 10.517 14.086 -0.075 1.00 0.00 C ATOM 1214 OE1 GLN A 76 10.814 13.618 -1.165 1.00 0.00 O ATOM 1215 NE2 GLN A 76 10.001 13.291 0.839 1.00 0.00 N ATOM 0 H GLN A 76 10.687 17.975 2.445 1.00 0.00 H new ATOM 0 HA GLN A 76 13.388 17.374 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.869 15.630 0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.326 15.120 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.977 15.870 0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.574 16.166 -0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.747 13.663 1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.855 12.303 0.632 1.00 0.00 H new ATOM 1224 N LEU A 77 12.873 18.460 -0.691 1.00 0.00 N ATOM 1225 CA LEU A 77 12.788 19.460 -1.759 1.00 0.00 C ATOM 1226 C LEU A 77 12.756 18.752 -3.119 1.00 0.00 C ATOM 1227 O LEU A 77 13.663 17.993 -3.440 1.00 0.00 O ATOM 1228 CB LEU A 77 13.992 20.405 -1.565 1.00 0.00 C ATOM 1229 CG LEU A 77 14.065 21.666 -2.452 1.00 0.00 C ATOM 1230 CD1 LEU A 77 15.128 22.606 -1.870 1.00 0.00 C ATOM 1231 CD2 LEU A 77 14.433 21.377 -3.918 1.00 0.00 C ATOM 0 H LEU A 77 13.693 17.859 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 77 11.875 20.054 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.001 20.727 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.902 19.827 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 77 13.068 22.107 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.195 23.504 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.852 22.882 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.094 22.101 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.464 22.313 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.411 20.897 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.685 20.717 -4.357 1.00 0.00 H new ATOM 1243 N TYR A 78 11.723 18.994 -3.929 1.00 0.00 N ATOM 1244 CA TYR A 78 11.538 18.376 -5.251 1.00 0.00 C ATOM 1245 C TYR A 78 11.701 19.412 -6.381 1.00 0.00 C ATOM 1246 O TYR A 78 11.199 20.536 -6.273 1.00 0.00 O ATOM 1247 CB TYR A 78 10.167 17.686 -5.280 1.00 0.00 C ATOM 1248 CG TYR A 78 10.049 16.560 -6.293 1.00 0.00 C ATOM 1249 CD1 TYR A 78 9.846 16.844 -7.657 1.00 0.00 C ATOM 1250 CD2 TYR A 78 10.124 15.218 -5.863 1.00 0.00 C ATOM 1251 CE1 TYR A 78 9.714 15.797 -8.586 1.00 0.00 C ATOM 1252 CE2 TYR A 78 10.004 14.166 -6.793 1.00 0.00 C ATOM 1253 CZ TYR A 78 9.800 14.455 -8.161 1.00 0.00 C ATOM 1254 OH TYR A 78 9.661 13.449 -9.067 1.00 0.00 O ATOM 0 H TYR A 78 10.973 19.639 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 78 12.310 17.626 -5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.953 17.289 -4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.403 18.433 -5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.791 17.870 -7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.274 14.996 -4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.546 16.021 -9.629 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.068 13.140 -6.461 1.00 0.00 H new ATOM 0 HH TYR A 78 8.761 13.068 -8.997 1.00 0.00 H new ATOM 1264 N ILE A 79 12.381 19.041 -7.469 1.00 0.00 N ATOM 1265 CA ILE A 79 12.834 19.939 -8.551 1.00 0.00 C ATOM 1266 C ILE A 79 12.904 19.237 -9.922 1.00 0.00 C ATOM 1267 O ILE A 79 13.781 18.414 -10.157 1.00 0.00 O ATOM 1268 CB ILE A 79 14.222 20.559 -8.202 1.00 0.00 C ATOM 1269 CG1 ILE A 79 15.150 19.642 -7.360 1.00 0.00 C ATOM 1270 CG2 ILE A 79 14.021 21.934 -7.544 1.00 0.00 C ATOM 1271 CD1 ILE A 79 16.602 20.136 -7.267 1.00 0.00 C ATOM 0 H ILE A 79 12.645 18.069 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 79 12.088 20.729 -8.631 1.00 0.00 H new ATOM 0 HB ILE A 79 14.756 20.677 -9.145 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.742 19.556 -6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.145 18.642 -7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.992 22.366 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.493 22.593 -8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.436 21.819 -6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.185 19.441 -6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 79 17.031 20.195 -8.267 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.622 21.123 -6.805 1.00 0.00 H new ATOM 1283 N ASP A 80 12.001 19.592 -10.846 1.00 0.00 N ATOM 1284 CA ASP A 80 12.045 19.197 -12.271 1.00 0.00 C ATOM 1285 C ASP A 80 12.170 17.671 -12.504 1.00 0.00 C ATOM 1286 O ASP A 80 12.934 17.201 -13.353 1.00 0.00 O ATOM 1287 CB ASP A 80 13.124 20.033 -12.986 1.00 0.00 C ATOM 1288 CG ASP A 80 13.091 19.868 -14.518 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.988 19.935 -15.114 1.00 0.00 O ATOM 1290 OD2 ASP A 80 14.177 19.699 -15.121 1.00 0.00 O ATOM 0 H ASP A 80 11.196 20.177 -10.623 1.00 0.00 H new ATOM 0 HA ASP A 80 11.078 19.423 -12.720 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.987 21.085 -12.736 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.107 19.743 -12.615 1.00 0.00 H new ATOM 1295 N GLY A 81 11.430 16.880 -11.713 1.00 0.00 N ATOM 1296 CA GLY A 81 11.448 15.408 -11.762 1.00 0.00 C ATOM 1297 C GLY A 81 12.567 14.766 -10.929 1.00 0.00 C ATOM 1298 O GLY A 81 12.575 13.547 -10.759 1.00 0.00 O ATOM 0 H GLY A 81 10.791 17.250 -11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.487 15.032 -11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.555 15.091 -12.799 1.00 0.00 H new ATOM 1302 N GLU A 82 13.490 15.572 -10.405 1.00 0.00 N ATOM 1303 CA GLU A 82 14.535 15.184 -9.456 1.00 0.00 C ATOM 1304 C GLU A 82 14.187 15.678 -8.037 1.00 0.00 C ATOM 1305 O GLU A 82 13.181 16.357 -7.811 1.00 0.00 O ATOM 1306 CB GLU A 82 15.895 15.753 -9.912 1.00 0.00 C ATOM 1307 CG GLU A 82 16.339 15.312 -11.316 1.00 0.00 C ATOM 1308 CD GLU A 82 16.486 13.787 -11.445 1.00 0.00 C ATOM 1309 OE1 GLU A 82 17.206 13.171 -10.622 1.00 0.00 O ATOM 1310 OE2 GLU A 82 15.923 13.201 -12.400 1.00 0.00 O ATOM 0 H GLU A 82 13.532 16.563 -10.642 1.00 0.00 H new ATOM 0 HA GLU A 82 14.601 14.096 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.844 16.842 -9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.658 15.453 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 82 15.614 15.665 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.291 15.785 -11.556 1.00 0.00 H new ATOM 1317 N PHE A 83 15.035 15.349 -7.059 1.00 0.00 N ATOM 1318 CA PHE A 83 14.843 15.708 -5.656 1.00 0.00 C ATOM 1319 C PHE A 83 16.161 15.869 -4.906 1.00 0.00 C ATOM 1320 O PHE A 83 17.233 15.422 -5.329 1.00 0.00 O ATOM 1321 CB PHE A 83 13.911 14.688 -4.974 1.00 0.00 C ATOM 1322 CG PHE A 83 14.563 13.348 -4.696 1.00 0.00 C ATOM 1323 CD1 PHE A 83 14.634 12.368 -5.709 1.00 0.00 C ATOM 1324 CD2 PHE A 83 15.135 13.091 -3.438 1.00 0.00 C ATOM 1325 CE1 PHE A 83 15.298 11.153 -5.468 1.00 0.00 C ATOM 1326 CE2 PHE A 83 15.793 11.872 -3.198 1.00 0.00 C ATOM 1327 CZ PHE A 83 15.883 10.907 -4.213 1.00 0.00 C ATOM 0 H PHE A 83 15.889 14.816 -7.226 1.00 0.00 H new ATOM 0 HA PHE A 83 14.366 16.687 -5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.554 15.109 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.037 14.531 -5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.178 12.552 -6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.069 13.831 -2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.359 10.408 -6.247 1.00 0.00 H new ATOM 0 HE2 PHE A 83 16.230 11.678 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 83 16.401 9.977 -4.031 1.00 0.00 H new ATOM 1337 N PHE A 84 16.034 16.553 -3.776 1.00 0.00 N ATOM 1338 CA PHE A 84 17.090 16.926 -2.864 1.00 0.00 C ATOM 1339 C PHE A 84 16.642 16.674 -1.412 1.00 0.00 C ATOM 1340 O PHE A 84 15.524 16.234 -1.127 1.00 0.00 O ATOM 1341 CB PHE A 84 17.479 18.390 -3.151 1.00 0.00 C ATOM 1342 CG PHE A 84 18.853 18.775 -2.645 1.00 0.00 C ATOM 1343 CD1 PHE A 84 19.992 18.244 -3.276 1.00 0.00 C ATOM 1344 CD2 PHE A 84 19.001 19.629 -1.533 1.00 0.00 C ATOM 1345 CE1 PHE A 84 21.275 18.543 -2.788 1.00 0.00 C ATOM 1346 CE2 PHE A 84 20.285 19.924 -1.045 1.00 0.00 C ATOM 1347 CZ PHE A 84 21.421 19.379 -1.669 1.00 0.00 C ATOM 0 H PHE A 84 15.123 16.882 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 84 17.981 16.315 -3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 84 17.439 18.561 -4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.738 19.047 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 84 19.880 17.604 -4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 84 18.130 20.055 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 84 22.148 18.131 -3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.400 20.571 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 84 22.406 19.603 -1.288 1.00 0.00 H new ATOM 1357 N GLY A 85 17.569 16.939 -0.499 1.00 0.00 N ATOM 1358 CA GLY A 85 17.492 16.595 0.925 1.00 0.00 C ATOM 1359 C GLY A 85 16.605 17.505 1.779 1.00 0.00 C ATOM 1360 O GLY A 85 15.819 18.312 1.279 1.00 0.00 O ATOM 0 H GLY A 85 18.436 17.421 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.125 15.573 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.500 16.609 1.339 1.00 0.00 H new ATOM 1364 N GLY A 86 16.740 17.339 3.100 1.00 0.00 N ATOM 1365 CA GLY A 86 16.002 18.092 4.123 1.00 0.00 C ATOM 1366 C GLY A 86 16.439 19.551 4.257 1.00 0.00 C ATOM 1367 O GLY A 86 17.319 20.028 3.536 1.00 0.00 O ATOM 0 H GLY A 86 17.385 16.657 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.939 18.062 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.127 17.596 5.086 1.00 0.00 H new ATOM 1371 N CYS A 87 15.808 20.285 5.175 1.00 0.00 N ATOM 1372 CA CYS A 87 15.972 21.739 5.265 1.00 0.00 C ATOM 1373 C CYS A 87 17.384 22.165 5.703 1.00 0.00 C ATOM 1374 O CYS A 87 18.012 22.987 5.041 1.00 0.00 O ATOM 1375 CB CYS A 87 14.867 22.309 6.170 1.00 0.00 C ATOM 1376 SG CYS A 87 13.259 22.062 5.354 1.00 0.00 S ATOM 0 H CYS A 87 15.174 19.894 5.872 1.00 0.00 H new ATOM 0 HA CYS A 87 15.865 22.163 4.266 1.00 0.00 H new ATOM 0 HB2 CYS A 87 14.879 21.812 7.140 1.00 0.00 H new ATOM 0 HB3 CYS A 87 15.039 23.370 6.354 1.00 0.00 H new ATOM 0 HG CYS A 87 12.986 23.094 4.611 1.00 0.00 H new ATOM 1382 N ASP A 88 17.924 21.571 6.764 1.00 0.00 N ATOM 1383 CA ASP A 88 19.294 21.838 7.227 1.00 0.00 C ATOM 1384 C ASP A 88 20.338 21.530 6.135 1.00 0.00 C ATOM 1385 O ASP A 88 21.221 22.347 5.866 1.00 0.00 O ATOM 1386 CB ASP A 88 19.567 21.071 8.531 1.00 0.00 C ATOM 1387 CG ASP A 88 19.686 19.544 8.364 1.00 0.00 C ATOM 1388 OD1 ASP A 88 18.801 18.929 7.720 1.00 0.00 O ATOM 1389 OD2 ASP A 88 20.668 18.964 8.887 1.00 0.00 O ATOM 0 H ASP A 88 17.426 20.887 7.333 1.00 0.00 H new ATOM 0 HA ASP A 88 19.387 22.903 7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.490 21.448 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 88 18.765 21.285 9.238 1.00 0.00 H new ATOM 1394 N ILE A 89 20.162 20.411 5.424 1.00 0.00 N ATOM 1395 CA ILE A 89 20.965 20.047 4.240 1.00 0.00 C ATOM 1396 C ILE A 89 20.831 21.119 3.145 1.00 0.00 C ATOM 1397 O ILE A 89 21.838 21.517 2.563 1.00 0.00 O ATOM 1398 CB ILE A 89 20.572 18.632 3.737 1.00 0.00 C ATOM 1399 CG1 ILE A 89 20.913 17.567 4.812 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.272 18.293 2.406 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.383 16.161 4.507 1.00 0.00 C ATOM 0 H ILE A 89 19.449 19.719 5.654 1.00 0.00 H new ATOM 0 HA ILE A 89 22.018 20.009 4.518 1.00 0.00 H new ATOM 0 HB ILE A 89 19.497 18.626 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 89 21.996 17.517 4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.508 17.894 5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 89 20.975 17.296 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 89 20.984 19.021 1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.353 18.322 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 89 20.668 15.482 5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.296 16.191 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 89 20.807 15.808 3.567 1.00 0.00 H new ATOM 1413 N THR A 90 19.620 21.643 2.911 1.00 0.00 N ATOM 1414 CA THR A 90 19.346 22.724 1.945 1.00 0.00 C ATOM 1415 C THR A 90 20.042 24.023 2.346 1.00 0.00 C ATOM 1416 O THR A 90 20.634 24.667 1.484 1.00 0.00 O ATOM 1417 CB THR A 90 17.837 22.921 1.754 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.275 21.712 1.296 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.513 23.987 0.707 1.00 0.00 C ATOM 0 H THR A 90 18.783 21.322 3.397 1.00 0.00 H new ATOM 0 HA THR A 90 19.762 22.425 0.983 1.00 0.00 H new ATOM 0 HB THR A 90 17.431 23.235 2.716 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.256 21.062 2.029 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.432 24.086 0.611 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.939 24.942 1.016 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.937 23.694 -0.254 1.00 0.00 H new ATOM 1427 N VAL A 91 20.042 24.384 3.635 1.00 0.00 N ATOM 1428 CA VAL A 91 20.812 25.545 4.136 1.00 0.00 C ATOM 1429 C VAL A 91 22.319 25.373 3.870 1.00 0.00 C ATOM 1430 O VAL A 91 22.963 26.313 3.402 1.00 0.00 O ATOM 1431 CB VAL A 91 20.558 25.838 5.638 1.00 0.00 C ATOM 1432 CG1 VAL A 91 21.422 26.999 6.162 1.00 0.00 C ATOM 1433 CG2 VAL A 91 19.088 26.203 5.895 1.00 0.00 C ATOM 0 H VAL A 91 19.517 23.891 4.358 1.00 0.00 H new ATOM 0 HA VAL A 91 20.452 26.409 3.577 1.00 0.00 H new ATOM 0 HB VAL A 91 20.823 24.921 6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 91 21.207 27.165 7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.477 26.751 6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.195 27.904 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.943 26.402 6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.828 27.092 5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.449 25.374 5.591 1.00 0.00 H new ATOM 1443 N GLU A 92 22.888 24.187 4.117 1.00 0.00 N ATOM 1444 CA GLU A 92 24.302 23.908 3.830 1.00 0.00 C ATOM 1445 C GLU A 92 24.603 23.886 2.320 1.00 0.00 C ATOM 1446 O GLU A 92 25.655 24.364 1.891 1.00 0.00 O ATOM 1447 CB GLU A 92 24.738 22.582 4.474 1.00 0.00 C ATOM 1448 CG GLU A 92 24.782 22.666 6.004 1.00 0.00 C ATOM 1449 CD GLU A 92 25.377 21.386 6.607 1.00 0.00 C ATOM 1450 OE1 GLU A 92 24.690 20.337 6.631 1.00 0.00 O ATOM 1451 OE2 GLU A 92 26.545 21.418 7.065 1.00 0.00 O ATOM 0 H GLU A 92 22.385 23.396 4.520 1.00 0.00 H new ATOM 0 HA GLU A 92 24.877 24.725 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.049 21.792 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.723 22.305 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.378 23.527 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 92 23.776 22.822 6.393 1.00 0.00 H new ATOM 1458 N ALA A 93 23.687 23.376 1.492 1.00 0.00 N ATOM 1459 CA ALA A 93 23.818 23.342 0.036 1.00 0.00 C ATOM 1460 C ALA A 93 23.795 24.743 -0.589 1.00 0.00 C ATOM 1461 O ALA A 93 24.546 25.009 -1.525 1.00 0.00 O ATOM 1462 CB ALA A 93 22.698 22.454 -0.513 1.00 0.00 C ATOM 0 H ALA A 93 22.814 22.966 1.825 1.00 0.00 H new ATOM 0 HA ALA A 93 24.790 22.928 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.769 22.409 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 93 22.795 21.450 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.731 22.871 -0.230 1.00 0.00 H new ATOM 1468 N TYR A 94 22.985 25.661 -0.056 1.00 0.00 N ATOM 1469 CA TYR A 94 22.980 27.079 -0.437 1.00 0.00 C ATOM 1470 C TYR A 94 24.291 27.789 -0.062 1.00 0.00 C ATOM 1471 O TYR A 94 24.846 28.538 -0.868 1.00 0.00 O ATOM 1472 CB TYR A 94 21.777 27.750 0.240 1.00 0.00 C ATOM 1473 CG TYR A 94 21.621 29.225 -0.075 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.260 29.632 -1.376 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.826 30.190 0.931 1.00 0.00 C ATOM 1476 CE1 TYR A 94 21.081 30.999 -1.664 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.655 31.557 0.646 1.00 0.00 C ATOM 1478 CZ TYR A 94 21.276 31.966 -0.651 1.00 0.00 C ATOM 1479 OH TYR A 94 21.090 33.288 -0.922 1.00 0.00 O ATOM 0 H TYR A 94 22.301 25.437 0.666 1.00 0.00 H new ATOM 0 HA TYR A 94 22.897 27.156 -1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.869 27.229 -0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.870 27.630 1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.121 28.895 -2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 94 22.115 29.879 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.795 31.309 -2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.814 32.294 1.420 1.00 0.00 H new ATOM 0 HH TYR A 94 21.265 33.815 -0.115 1.00 0.00 H new ATOM 1489 N LYS A 95 24.831 27.493 1.125 1.00 0.00 N ATOM 1490 CA LYS A 95 26.142 27.993 1.573 1.00 0.00 C ATOM 1491 C LYS A 95 27.314 27.386 0.774 1.00 0.00 C ATOM 1492 O LYS A 95 28.335 28.043 0.575 1.00 0.00 O ATOM 1493 CB LYS A 95 26.287 27.712 3.080 1.00 0.00 C ATOM 1494 CG LYS A 95 25.389 28.626 3.930 1.00 0.00 C ATOM 1495 CD LYS A 95 25.447 28.220 5.410 1.00 0.00 C ATOM 1496 CE LYS A 95 24.559 29.106 6.301 1.00 0.00 C ATOM 1497 NZ LYS A 95 25.096 30.486 6.456 1.00 0.00 N ATOM 0 H LYS A 95 24.369 26.895 1.810 1.00 0.00 H new ATOM 0 HA LYS A 95 26.185 29.067 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 95 26.035 26.670 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 95 27.327 27.851 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 95 25.708 29.662 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 95 24.361 28.569 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 95 25.134 27.181 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.478 28.278 5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 95 23.558 29.156 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 95 24.463 28.645 7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 24.460 31.040 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 26.041 30.444 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 25.163 30.939 5.522 1.00 0.00 H new ATOM 1511 N SER A 96 27.159 26.156 0.274 1.00 0.00 N ATOM 1512 CA SER A 96 28.167 25.453 -0.541 1.00 0.00 C ATOM 1513 C SER A 96 28.058 25.761 -2.050 1.00 0.00 C ATOM 1514 O SER A 96 28.972 25.434 -2.809 1.00 0.00 O ATOM 1515 CB SER A 96 28.036 23.938 -0.307 1.00 0.00 C ATOM 1516 OG SER A 96 28.106 23.606 1.075 1.00 0.00 O ATOM 0 H SER A 96 26.313 25.606 0.425 1.00 0.00 H new ATOM 0 HA SER A 96 29.146 25.813 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.089 23.588 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.828 23.418 -0.846 1.00 0.00 H new ATOM 0 HG SER A 96 27.312 23.951 1.535 1.00 0.00 H new ATOM 1522 N GLY A 97 26.949 26.372 -2.504 1.00 0.00 N ATOM 1523 CA GLY A 97 26.682 26.728 -3.911 1.00 0.00 C ATOM 1524 C GLY A 97 26.009 25.616 -4.726 1.00 0.00 C ATOM 1525 O GLY A 97 25.697 25.813 -5.899 1.00 0.00 O ATOM 0 H GLY A 97 26.188 26.641 -1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 97 26.049 27.615 -3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.623 26.995 -4.391 1.00 0.00 H new ATOM 1529 N GLU A 98 25.749 24.463 -4.106 1.00 0.00 N ATOM 1530 CA GLU A 98 25.180 23.273 -4.752 1.00 0.00 C ATOM 1531 C GLU A 98 23.687 23.459 -5.047 1.00 0.00 C ATOM 1532 O GLU A 98 23.216 23.094 -6.127 1.00 0.00 O ATOM 1533 CB GLU A 98 25.391 22.036 -3.860 1.00 0.00 C ATOM 1534 CG GLU A 98 26.868 21.799 -3.509 1.00 0.00 C ATOM 1535 CD GLU A 98 27.060 20.447 -2.808 1.00 0.00 C ATOM 1536 OE1 GLU A 98 26.955 20.388 -1.562 1.00 0.00 O ATOM 1537 OE2 GLU A 98 27.327 19.438 -3.504 1.00 0.00 O ATOM 0 H GLU A 98 25.933 24.325 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 98 25.696 23.126 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.818 22.155 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 98 24.998 21.156 -4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.470 21.830 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.225 22.601 -2.863 1.00 0.00 H new ATOM 1544 N LEU A 99 22.950 24.096 -4.124 1.00 0.00 N ATOM 1545 CA LEU A 99 21.528 24.396 -4.313 1.00 0.00 C ATOM 1546 C LEU A 99 21.331 25.351 -5.490 1.00 0.00 C ATOM 1547 O LEU A 99 20.476 25.102 -6.333 1.00 0.00 O ATOM 1548 CB LEU A 99 20.946 24.979 -3.009 1.00 0.00 C ATOM 1549 CG LEU A 99 19.413 25.157 -3.036 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.687 23.804 -3.082 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.987 25.954 -1.799 1.00 0.00 C ATOM 0 H LEU A 99 23.324 24.415 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 99 20.993 23.476 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.212 24.324 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.411 25.945 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 99 19.137 25.699 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.610 23.970 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.986 23.261 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.950 23.220 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.905 26.087 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.280 25.413 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.472 26.930 -1.810 1.00 0.00 H new ATOM 1563 N GLN A 100 22.148 26.407 -5.574 1.00 0.00 N ATOM 1564 CA GLN A 100 22.129 27.375 -6.675 1.00 0.00 C ATOM 1565 C GLN A 100 22.311 26.674 -8.027 1.00 0.00 C ATOM 1566 O GLN A 100 21.510 26.902 -8.932 1.00 0.00 O ATOM 1567 CB GLN A 100 23.206 28.442 -6.403 1.00 0.00 C ATOM 1568 CG GLN A 100 23.388 29.462 -7.541 1.00 0.00 C ATOM 1569 CD GLN A 100 24.300 30.625 -7.133 1.00 0.00 C ATOM 1570 OE1 GLN A 100 23.901 31.785 -7.111 1.00 0.00 O ATOM 1571 NE2 GLN A 100 25.545 30.372 -6.775 1.00 0.00 N ATOM 0 H GLN A 100 22.853 26.616 -4.867 1.00 0.00 H new ATOM 0 HA GLN A 100 21.160 27.870 -6.729 1.00 0.00 H new ATOM 0 HB2 GLN A 100 22.948 28.977 -5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 100 24.158 27.943 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.809 28.961 -8.413 1.00 0.00 H new ATOM 0 HG3 GLN A 100 22.414 29.852 -7.837 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.894 29.414 -6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 100 26.158 31.135 -6.486 1.00 0.00 H new ATOM 1580 N GLU A 101 23.301 25.780 -8.150 1.00 0.00 N ATOM 1581 CA GLU A 101 23.541 25.014 -9.377 1.00 0.00 C ATOM 1582 C GLU A 101 22.340 24.125 -9.748 1.00 0.00 C ATOM 1583 O GLU A 101 21.888 24.150 -10.896 1.00 0.00 O ATOM 1584 CB GLU A 101 24.832 24.194 -9.221 1.00 0.00 C ATOM 1585 CG GLU A 101 25.240 23.496 -10.524 1.00 0.00 C ATOM 1586 CD GLU A 101 26.616 22.830 -10.379 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.687 21.659 -9.938 1.00 0.00 O ATOM 1588 OE2 GLU A 101 27.641 23.471 -10.716 1.00 0.00 O ATOM 0 H GLU A 101 23.958 25.568 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 101 23.664 25.712 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.639 24.850 -8.895 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.693 23.447 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.494 22.746 -10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 101 25.266 24.221 -11.337 1.00 0.00 H new ATOM 1595 N GLN A 102 21.788 23.361 -8.791 1.00 0.00 N ATOM 1596 CA GLN A 102 20.647 22.474 -9.046 1.00 0.00 C ATOM 1597 C GLN A 102 19.350 23.248 -9.333 1.00 0.00 C ATOM 1598 O GLN A 102 18.616 22.882 -10.249 1.00 0.00 O ATOM 1599 CB GLN A 102 20.433 21.518 -7.861 1.00 0.00 C ATOM 1600 CG GLN A 102 21.555 20.479 -7.687 1.00 0.00 C ATOM 1601 CD GLN A 102 21.573 19.445 -8.818 1.00 0.00 C ATOM 1602 OE1 GLN A 102 22.251 19.592 -9.826 1.00 0.00 O ATOM 1603 NE2 GLN A 102 20.804 18.377 -8.717 1.00 0.00 N ATOM 0 H GLN A 102 22.119 23.342 -7.826 1.00 0.00 H new ATOM 0 HA GLN A 102 20.889 21.900 -9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.348 22.103 -6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.485 20.996 -7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.517 20.990 -7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 102 21.428 19.968 -6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.232 18.237 -7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 102 20.782 17.691 -9.472 1.00 0.00 H new ATOM 1612 N VAL A 103 19.061 24.315 -8.583 1.00 0.00 N ATOM 1613 CA VAL A 103 17.848 25.136 -8.751 1.00 0.00 C ATOM 1614 C VAL A 103 17.892 25.924 -10.061 1.00 0.00 C ATOM 1615 O VAL A 103 16.873 25.986 -10.739 1.00 0.00 O ATOM 1616 CB VAL A 103 17.633 26.072 -7.544 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.543 27.131 -7.778 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.243 25.251 -6.300 1.00 0.00 C ATOM 0 H VAL A 103 19.668 24.641 -7.831 1.00 0.00 H new ATOM 0 HA VAL A 103 16.995 24.459 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 103 18.580 26.591 -7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.445 27.754 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.817 27.754 -8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.593 26.637 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 103 17.094 25.922 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.320 24.706 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.039 24.544 -6.067 1.00 0.00 H new ATOM 1628 N GLU A 104 19.045 26.482 -10.456 1.00 0.00 N ATOM 1629 CA GLU A 104 19.193 27.125 -11.763 1.00 0.00 C ATOM 1630 C GLU A 104 18.925 26.119 -12.898 1.00 0.00 C ATOM 1631 O GLU A 104 18.123 26.393 -13.794 1.00 0.00 O ATOM 1632 CB GLU A 104 20.586 27.762 -11.884 1.00 0.00 C ATOM 1633 CG GLU A 104 20.748 28.558 -13.185 1.00 0.00 C ATOM 1634 CD GLU A 104 22.106 29.274 -13.225 1.00 0.00 C ATOM 1635 OE1 GLU A 104 23.099 28.674 -13.702 1.00 0.00 O ATOM 1636 OE2 GLU A 104 22.184 30.449 -12.794 1.00 0.00 O ATOM 0 H GLU A 104 19.890 26.499 -9.885 1.00 0.00 H new ATOM 0 HA GLU A 104 18.453 27.920 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 104 20.757 28.421 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.346 26.981 -11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.661 27.887 -14.040 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.944 29.289 -13.271 1.00 0.00 H new ATOM 1643 N LYS A 105 19.505 24.914 -12.820 1.00 0.00 N ATOM 1644 CA LYS A 105 19.250 23.842 -13.787 1.00 0.00 C ATOM 1645 C LYS A 105 17.760 23.453 -13.830 1.00 0.00 C ATOM 1646 O LYS A 105 17.183 23.348 -14.913 1.00 0.00 O ATOM 1647 CB LYS A 105 20.168 22.652 -13.456 1.00 0.00 C ATOM 1648 CG LYS A 105 20.073 21.524 -14.494 1.00 0.00 C ATOM 1649 CD LYS A 105 21.072 20.402 -14.179 1.00 0.00 C ATOM 1650 CE LYS A 105 20.964 19.287 -15.231 1.00 0.00 C ATOM 1651 NZ LYS A 105 21.945 18.197 -14.981 1.00 0.00 N ATOM 0 H LYS A 105 20.163 24.657 -12.085 1.00 0.00 H new ATOM 0 HA LYS A 105 19.484 24.192 -14.793 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.199 23.000 -13.396 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.907 22.259 -12.473 1.00 0.00 H new ATOM 0 HG2 LYS A 105 19.060 21.121 -14.507 1.00 0.00 H new ATOM 0 HG3 LYS A 105 20.270 21.923 -15.489 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.086 20.801 -14.164 1.00 0.00 H new ATOM 0 HD3 LYS A 105 20.874 19.997 -13.187 1.00 0.00 H new ATOM 0 HE2 LYS A 105 19.954 18.876 -15.224 1.00 0.00 H new ATOM 0 HE3 LYS A 105 21.131 19.706 -16.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 21.842 17.463 -15.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.910 18.584 -15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 21.770 17.781 -14.044 1.00 0.00 H new ATOM 1665 N ALA A 106 17.109 23.303 -12.670 1.00 0.00 N ATOM 1666 CA ALA A 106 15.679 22.998 -12.566 1.00 0.00 C ATOM 1667 C ALA A 106 14.779 24.115 -13.128 1.00 0.00 C ATOM 1668 O ALA A 106 13.766 23.818 -13.759 1.00 0.00 O ATOM 1669 CB ALA A 106 15.359 22.708 -11.094 1.00 0.00 C ATOM 0 H ALA A 106 17.569 23.392 -11.764 1.00 0.00 H new ATOM 0 HA ALA A 106 15.464 22.124 -13.181 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.299 22.478 -10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.950 21.857 -10.754 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.601 23.582 -10.490 1.00 0.00 H new ATOM 1675 N MET A 107 15.145 25.390 -12.934 1.00 0.00 N ATOM 1676 CA MET A 107 14.413 26.557 -13.450 1.00 0.00 C ATOM 1677 C MET A 107 14.522 26.694 -14.975 1.00 0.00 C ATOM 1678 O MET A 107 13.519 26.994 -15.624 1.00 0.00 O ATOM 1679 CB MET A 107 14.892 27.839 -12.748 1.00 0.00 C ATOM 1680 CG MET A 107 14.329 27.955 -11.321 1.00 0.00 C ATOM 1681 SD MET A 107 14.994 29.324 -10.329 1.00 0.00 S ATOM 1682 CE MET A 107 14.508 30.740 -11.348 1.00 0.00 C ATOM 0 H MET A 107 15.977 25.645 -12.402 1.00 0.00 H new ATOM 0 HA MET A 107 13.358 26.402 -13.227 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.981 27.847 -12.710 1.00 0.00 H new ATOM 0 HB3 MET A 107 14.587 28.708 -13.331 1.00 0.00 H new ATOM 0 HG2 MET A 107 13.247 28.067 -11.384 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.523 27.020 -10.795 1.00 0.00 H new ATOM 0 HE1 MET A 107 14.716 31.664 -10.809 1.00 0.00 H new ATOM 0 HE2 MET A 107 15.072 30.728 -12.280 1.00 0.00 H new ATOM 0 HE3 MET A 107 13.442 30.681 -11.568 1.00 0.00 H new ATOM 1692 N CYS A 108 15.700 26.430 -15.555 1.00 0.00 N ATOM 1693 CA CYS A 108 15.876 26.313 -17.010 1.00 0.00 C ATOM 1694 C CYS A 108 15.129 25.086 -17.587 1.00 0.00 C ATOM 1695 O CYS A 108 14.610 25.155 -18.706 1.00 0.00 O ATOM 1696 CB CYS A 108 17.379 26.246 -17.325 1.00 0.00 C ATOM 1697 SG CYS A 108 18.176 27.831 -16.921 1.00 0.00 S ATOM 0 H CYS A 108 16.562 26.291 -15.027 1.00 0.00 H new ATOM 0 HA CYS A 108 15.440 27.191 -17.488 1.00 0.00 H new ATOM 0 HB2 CYS A 108 17.842 25.441 -16.754 1.00 0.00 H new ATOM 0 HB3 CYS A 108 17.527 26.014 -18.380 1.00 0.00 H new ATOM 0 HG CYS A 108 19.446 27.759 -17.190 1.00 0.00 H new ATOM 1703 N SER A 109 15.070 23.998 -16.807 1.00 0.00 N ATOM 1704 CA SER A 109 14.317 22.747 -17.038 1.00 0.00 C ATOM 1705 C SER A 109 14.839 21.954 -18.255 1.00 0.00 C ATOM 1706 O SER A 109 16.063 21.682 -18.306 1.00 0.00 O ATOM 1707 CB SER A 109 12.803 23.003 -17.125 1.00 0.00 C ATOM 1708 OG SER A 109 12.357 23.789 -16.033 1.00 0.00 O ATOM 1709 OXT SER A 109 14.048 21.581 -19.156 1.00 0.00 O ATOM 0 H SER A 109 15.586 23.962 -15.928 1.00 0.00 H new ATOM 0 HA SER A 109 14.490 22.116 -16.166 1.00 0.00 H new ATOM 0 HB2 SER A 109 12.569 23.509 -18.062 1.00 0.00 H new ATOM 0 HB3 SER A 109 12.270 22.052 -17.135 1.00 0.00 H new ATOM 0 HG SER A 109 12.952 23.652 -15.267 1.00 0.00 H new TER 1715 SER A 109