USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 38 TYR OH : rot 52:sc= 2.04 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -149:sc= 0.835 (180deg=-1.59!) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.00674 K(o=1.5,f=0.79) USER MOD Set 2.2: A 48 SER OG : rot 81:sc= 1.53 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= 0.161 USER MOD Set 3.2: A 46 THR OG1 : rot 169:sc= 0.999 USER MOD Set 4.1: A 40 ASN : amide:sc= 0.406 K(o=1.4,f=0.68) USER MOD Set 4.2: A 43 SER OG : rot 56:sc= 0.953 USER MOD Set 5.1: A 26 THR OG1 : rot -75:sc= 1.31 USER MOD Set 5.2: A 27 GLN : amide:sc= 2.15 K(o=3.5,f=-14!) USER MOD Single : A 11 GLN : amide:sc= 0.517 K(o=0.52,f=-0.52) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= 0.983 (180deg=0.391) USER MOD Single : A 15 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.842 K(o=0.84,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -175:sc= -1.59 (180deg=-1.9) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 56 SER OG : rot 57:sc= 0.473 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-3.3!) USER MOD Single : A 60 MET CE :methyl -168:sc= -1.02 (180deg=-1.52) USER MOD Single : A 61 CYS SG : rot -6:sc= 0.172 USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 0.269 (180deg=0.246) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= -0.0124 (180deg=-0.108) USER MOD Single : A 72 ASN : amide:sc= -0.0199! X(o=-0.02!,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 1.735 5.017 -1.982 1.00 0.00 N ATOM 2 CA ASP A 5 2.937 5.000 -2.802 1.00 0.00 C ATOM 3 C ASP A 5 4.169 5.176 -1.919 1.00 0.00 C ATOM 4 O ASP A 5 5.166 4.473 -2.077 1.00 0.00 O ATOM 5 CB ASP A 5 2.877 6.119 -3.850 1.00 0.00 C ATOM 6 CG ASP A 5 1.754 5.920 -4.861 1.00 0.00 C ATOM 7 OD1 ASP A 5 1.808 4.895 -5.576 1.00 0.00 O ATOM 8 OD2 ASP A 5 0.876 6.808 -4.920 1.00 0.00 O ATOM 0 HA ASP A 5 3.002 4.041 -3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.741 7.076 -3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.830 6.169 -4.377 1.00 0.00 H new ATOM 15 N LEU A 6 4.085 6.116 -0.971 1.00 0.00 N ATOM 16 CA LEU A 6 5.161 6.460 -0.047 1.00 0.00 C ATOM 17 C LEU A 6 5.732 5.204 0.614 1.00 0.00 C ATOM 18 O LEU A 6 6.941 5.102 0.804 1.00 0.00 O ATOM 19 CB LEU A 6 4.666 7.447 1.022 1.00 0.00 C ATOM 20 CG LEU A 6 4.489 8.890 0.516 1.00 0.00 C ATOM 21 CD1 LEU A 6 3.278 9.059 -0.409 1.00 0.00 C ATOM 22 CD2 LEU A 6 4.316 9.823 1.721 1.00 0.00 C ATOM 0 H LEU A 6 3.242 6.671 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 6 5.955 6.940 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.713 7.092 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.372 7.449 1.853 1.00 0.00 H new ATOM 0 HG LEU A 6 5.380 9.137 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.208 10.098 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.394 8.416 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.370 8.784 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.190 10.848 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.436 9.523 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.199 9.762 2.358 1.00 0.00 H new ATOM 34 N GLU A 7 4.862 4.238 0.921 1.00 0.00 N ATOM 35 CA GLU A 7 5.204 2.933 1.469 1.00 0.00 C ATOM 36 C GLU A 7 6.321 2.258 0.664 1.00 0.00 C ATOM 37 O GLU A 7 7.204 1.627 1.242 1.00 0.00 O ATOM 38 CB GLU A 7 3.958 2.032 1.498 1.00 0.00 C ATOM 39 CG GLU A 7 2.823 2.547 2.406 1.00 0.00 C ATOM 40 CD GLU A 7 1.994 3.696 1.830 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.135 3.969 0.615 1.00 0.00 O ATOM 42 OE2 GLU A 7 1.235 4.294 2.622 1.00 0.00 O ATOM 0 H GLU A 7 3.858 4.354 0.787 1.00 0.00 H new ATOM 0 HA GLU A 7 5.569 3.083 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.576 1.928 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.251 1.037 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.155 1.716 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.256 2.872 3.352 1.00 0.00 H new ATOM 49 N GLU A 8 6.284 2.373 -0.663 1.00 0.00 N ATOM 50 CA GLU A 8 7.320 1.835 -1.529 1.00 0.00 C ATOM 51 C GLU A 8 8.546 2.748 -1.488 1.00 0.00 C ATOM 52 O GLU A 8 9.671 2.280 -1.317 1.00 0.00 O ATOM 53 CB GLU A 8 6.790 1.706 -2.964 1.00 0.00 C ATOM 54 CG GLU A 8 5.528 0.838 -3.037 1.00 0.00 C ATOM 55 CD GLU A 8 5.066 0.670 -4.481 1.00 0.00 C ATOM 56 OE1 GLU A 8 4.615 1.688 -5.050 1.00 0.00 O ATOM 57 OE2 GLU A 8 5.186 -0.465 -4.992 1.00 0.00 O ATOM 0 H GLU A 8 5.531 2.844 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 8 7.608 0.844 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.571 2.698 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.564 1.274 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.728 -0.140 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.733 1.295 -2.447 1.00 0.00 H new ATOM 64 N LEU A 9 8.329 4.052 -1.680 1.00 0.00 N ATOM 65 CA LEU A 9 9.410 5.022 -1.829 1.00 0.00 C ATOM 66 C LEU A 9 10.320 5.042 -0.603 1.00 0.00 C ATOM 67 O LEU A 9 11.537 5.063 -0.754 1.00 0.00 O ATOM 68 CB LEU A 9 8.868 6.432 -2.125 1.00 0.00 C ATOM 69 CG LEU A 9 7.765 6.514 -3.196 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.457 7.980 -3.505 1.00 0.00 C ATOM 71 CD2 LEU A 9 8.127 5.802 -4.502 1.00 0.00 C ATOM 0 H LEU A 9 7.397 4.462 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 9 10.006 4.704 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.480 6.854 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.700 7.062 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 9 6.896 6.005 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.676 8.036 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.118 8.480 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.357 8.471 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.304 5.901 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.026 6.252 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.309 4.746 -4.302 1.00 0.00 H new ATOM 83 N GLU A 10 9.747 5.044 0.601 1.00 0.00 N ATOM 84 CA GLU A 10 10.503 5.157 1.838 1.00 0.00 C ATOM 85 C GLU A 10 11.410 3.942 2.039 1.00 0.00 C ATOM 86 O GLU A 10 12.625 4.068 2.163 1.00 0.00 O ATOM 87 CB GLU A 10 9.533 5.397 3.000 1.00 0.00 C ATOM 88 CG GLU A 10 8.618 4.227 3.375 1.00 0.00 C ATOM 89 CD GLU A 10 7.450 4.590 4.286 1.00 0.00 C ATOM 90 OE1 GLU A 10 7.104 5.789 4.358 1.00 0.00 O ATOM 91 OE2 GLU A 10 6.912 3.632 4.886 1.00 0.00 O ATOM 0 H GLU A 10 8.740 4.967 0.741 1.00 0.00 H new ATOM 0 HA GLU A 10 11.174 6.015 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.115 5.671 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.907 6.254 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.222 3.787 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.217 3.459 3.865 1.00 0.00 H new ATOM 98 N GLN A 11 10.801 2.759 2.043 1.00 0.00 N ATOM 99 CA GLN A 11 11.481 1.473 2.060 1.00 0.00 C ATOM 100 C GLN A 11 12.581 1.440 0.996 1.00 0.00 C ATOM 101 O GLN A 11 13.738 1.167 1.314 1.00 0.00 O ATOM 102 CB GLN A 11 10.459 0.349 1.834 1.00 0.00 C ATOM 103 CG GLN A 11 9.911 -0.228 3.145 1.00 0.00 C ATOM 104 CD GLN A 11 9.287 0.794 4.089 1.00 0.00 C ATOM 105 OE1 GLN A 11 9.889 1.168 5.090 1.00 0.00 O ATOM 106 NE2 GLN A 11 8.075 1.250 3.793 1.00 0.00 N ATOM 0 H GLN A 11 9.785 2.670 2.034 1.00 0.00 H new ATOM 0 HA GLN A 11 11.952 1.324 3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.631 0.731 1.237 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.926 -0.450 1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.163 -0.984 2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.722 -0.735 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.597 0.922 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.622 1.929 4.405 1.00 0.00 H new ATOM 115 N PHE A 12 12.232 1.726 -0.262 1.00 0.00 N ATOM 116 CA PHE A 12 13.206 1.787 -1.345 1.00 0.00 C ATOM 117 C PHE A 12 14.370 2.699 -0.955 1.00 0.00 C ATOM 118 O PHE A 12 15.526 2.287 -1.006 1.00 0.00 O ATOM 119 CB PHE A 12 12.544 2.252 -2.649 1.00 0.00 C ATOM 120 CG PHE A 12 13.543 2.645 -3.724 1.00 0.00 C ATOM 121 CD1 PHE A 12 14.162 1.659 -4.514 1.00 0.00 C ATOM 122 CD2 PHE A 12 14.021 3.967 -3.761 1.00 0.00 C ATOM 123 CE1 PHE A 12 15.242 2.000 -5.349 1.00 0.00 C ATOM 124 CE2 PHE A 12 15.125 4.299 -4.567 1.00 0.00 C ATOM 125 CZ PHE A 12 15.720 3.322 -5.378 1.00 0.00 C ATOM 0 H PHE A 12 11.273 1.920 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 12 13.601 0.786 -1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.907 1.454 -3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.896 3.103 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.808 0.639 -4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.539 4.730 -3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.704 1.246 -5.968 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.514 5.306 -4.561 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.545 3.585 -6.024 1.00 0.00 H new ATOM 135 N ALA A 13 14.073 3.931 -0.540 1.00 0.00 N ATOM 136 CA ALA A 13 15.091 4.888 -0.140 1.00 0.00 C ATOM 137 C ALA A 13 16.005 4.288 0.929 1.00 0.00 C ATOM 138 O ALA A 13 17.222 4.271 0.772 1.00 0.00 O ATOM 139 CB ALA A 13 14.433 6.187 0.331 1.00 0.00 C ATOM 0 H ALA A 13 13.120 4.288 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 13 15.717 5.126 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.204 6.898 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.842 6.611 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.784 5.978 1.181 1.00 0.00 H new ATOM 145 N LYS A 14 15.433 3.751 2.005 1.00 0.00 N ATOM 146 CA LYS A 14 16.189 3.111 3.076 1.00 0.00 C ATOM 147 C LYS A 14 16.978 1.893 2.570 1.00 0.00 C ATOM 148 O LYS A 14 18.031 1.550 3.111 1.00 0.00 O ATOM 149 CB LYS A 14 15.232 2.754 4.216 1.00 0.00 C ATOM 150 CG LYS A 14 14.688 4.036 4.865 1.00 0.00 C ATOM 151 CD LYS A 14 13.616 3.679 5.896 1.00 0.00 C ATOM 152 CE LYS A 14 13.137 4.907 6.682 1.00 0.00 C ATOM 153 NZ LYS A 14 12.590 5.958 5.804 1.00 0.00 N ATOM 0 H LYS A 14 14.425 3.749 2.158 1.00 0.00 H new ATOM 0 HA LYS A 14 16.937 3.808 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.408 2.151 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.750 2.151 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.499 4.584 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.268 4.691 4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.767 3.219 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.014 2.938 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.374 4.602 7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.969 5.314 7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.858 6.492 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.353 6.604 5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.172 5.521 4.958 1.00 0.00 H new ATOM 167 N THR A 15 16.497 1.228 1.521 1.00 0.00 N ATOM 168 CA THR A 15 17.245 0.151 0.875 1.00 0.00 C ATOM 169 C THR A 15 18.450 0.750 0.146 1.00 0.00 C ATOM 170 O THR A 15 19.564 0.240 0.251 1.00 0.00 O ATOM 171 CB THR A 15 16.340 -0.678 -0.046 1.00 0.00 C ATOM 172 OG1 THR A 15 15.191 -1.090 0.663 1.00 0.00 O ATOM 173 CG2 THR A 15 17.056 -1.934 -0.551 1.00 0.00 C ATOM 0 H THR A 15 15.588 1.418 1.099 1.00 0.00 H new ATOM 0 HA THR A 15 17.617 -0.545 1.627 1.00 0.00 H new ATOM 0 HB THR A 15 16.072 -0.049 -0.895 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.581 -0.330 0.768 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.387 -2.498 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.946 -1.645 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.346 -2.554 0.298 1.00 0.00 H new ATOM 181 N PHE A 16 18.236 1.865 -0.557 1.00 0.00 N ATOM 182 CA PHE A 16 19.296 2.627 -1.198 1.00 0.00 C ATOM 183 C PHE A 16 20.336 3.056 -0.151 1.00 0.00 C ATOM 184 O PHE A 16 21.535 2.929 -0.387 1.00 0.00 O ATOM 185 CB PHE A 16 18.691 3.793 -2.001 1.00 0.00 C ATOM 186 CG PHE A 16 19.624 4.371 -3.044 1.00 0.00 C ATOM 187 CD1 PHE A 16 20.643 5.269 -2.672 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.474 4.007 -4.393 1.00 0.00 C ATOM 189 CE1 PHE A 16 21.518 5.778 -3.647 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.330 4.541 -5.368 1.00 0.00 C ATOM 191 CZ PHE A 16 21.364 5.415 -4.995 1.00 0.00 C ATOM 0 H PHE A 16 17.308 2.264 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 16 19.831 2.011 -1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.781 3.449 -2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 16 18.400 4.584 -1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 16 20.752 5.566 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 16 18.697 3.314 -4.680 1.00 0.00 H new ATOM 0 HE1 PHE A 16 22.312 6.451 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 16 20.194 4.280 -6.407 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.038 5.807 -5.742 1.00 0.00 H new ATOM 201 N LYS A 17 19.888 3.499 1.030 1.00 0.00 N ATOM 202 CA LYS A 17 20.775 3.785 2.154 1.00 0.00 C ATOM 203 C LYS A 17 21.624 2.557 2.479 1.00 0.00 C ATOM 204 O LYS A 17 22.846 2.642 2.510 1.00 0.00 O ATOM 205 CB LYS A 17 19.981 4.227 3.393 1.00 0.00 C ATOM 206 CG LYS A 17 20.902 4.842 4.459 1.00 0.00 C ATOM 207 CD LYS A 17 20.204 4.998 5.816 1.00 0.00 C ATOM 208 CE LYS A 17 19.003 5.944 5.740 1.00 0.00 C ATOM 209 NZ LYS A 17 18.413 6.175 7.070 1.00 0.00 N ATOM 0 H LYS A 17 18.902 3.668 1.229 1.00 0.00 H new ATOM 0 HA LYS A 17 21.431 4.607 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.223 4.954 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.455 3.370 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.785 4.214 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 17 21.248 5.818 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 17 19.873 4.021 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 17 20.917 5.376 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 17 19.315 6.895 5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.249 5.524 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 17.602 6.820 6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.094 5.270 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.126 6.599 7.697 1.00 0.00 H new ATOM 223 N GLN A 18 20.989 1.415 2.749 1.00 0.00 N ATOM 224 CA GLN A 18 21.719 0.203 3.111 1.00 0.00 C ATOM 225 C GLN A 18 22.736 -0.173 2.026 1.00 0.00 C ATOM 226 O GLN A 18 23.890 -0.464 2.337 1.00 0.00 O ATOM 227 CB GLN A 18 20.727 -0.927 3.399 1.00 0.00 C ATOM 228 CG GLN A 18 20.024 -0.685 4.741 1.00 0.00 C ATOM 229 CD GLN A 18 18.755 -1.517 4.860 1.00 0.00 C ATOM 230 OE1 GLN A 18 18.759 -2.603 5.428 1.00 0.00 O ATOM 231 NE2 GLN A 18 17.654 -1.004 4.320 1.00 0.00 N ATOM 0 H GLN A 18 19.975 1.306 2.724 1.00 0.00 H new ATOM 0 HA GLN A 18 22.293 0.385 4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.989 -0.986 2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.250 -1.883 3.421 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.701 -0.933 5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.778 0.372 4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.689 -0.097 3.855 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.774 -1.518 4.371 1.00 0.00 H new ATOM 240 N ARG A 19 22.323 -0.133 0.754 1.00 0.00 N ATOM 241 CA ARG A 19 23.213 -0.348 -0.382 1.00 0.00 C ATOM 242 C ARG A 19 24.420 0.590 -0.290 1.00 0.00 C ATOM 243 O ARG A 19 25.564 0.132 -0.338 1.00 0.00 O ATOM 244 CB ARG A 19 22.428 -0.154 -1.693 1.00 0.00 C ATOM 245 CG ARG A 19 23.265 -0.126 -2.985 1.00 0.00 C ATOM 246 CD ARG A 19 23.815 -1.490 -3.412 1.00 0.00 C ATOM 247 NE ARG A 19 24.852 -1.985 -2.500 1.00 0.00 N ATOM 248 CZ ARG A 19 25.422 -3.193 -2.601 1.00 0.00 C ATOM 249 NH1 ARG A 19 25.175 -3.982 -3.652 1.00 0.00 N ATOM 250 NH2 ARG A 19 26.255 -3.607 -1.643 1.00 0.00 N ATOM 0 H ARG A 19 21.356 0.051 0.487 1.00 0.00 H new ATOM 0 HA ARG A 19 23.595 -1.369 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.695 -0.957 -1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.871 0.780 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 19 22.651 0.274 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 19 24.099 0.562 -2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 19 22.998 -2.211 -3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 19 24.226 -1.414 -4.419 1.00 0.00 H new ATOM 0 HE ARG A 19 25.157 -1.373 -1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.546 -3.666 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 19 25.616 -4.899 -3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 19 26.452 -3.005 -0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 19 26.694 -4.525 -1.711 1.00 0.00 H new ATOM 264 N ARG A 20 24.167 1.896 -0.155 1.00 0.00 N ATOM 265 CA ARG A 20 25.224 2.886 -0.025 1.00 0.00 C ATOM 266 C ARG A 20 26.172 2.520 1.110 1.00 0.00 C ATOM 267 O ARG A 20 27.378 2.435 0.894 1.00 0.00 O ATOM 268 CB ARG A 20 24.664 4.286 0.251 1.00 0.00 C ATOM 269 CG ARG A 20 24.198 5.030 -0.998 1.00 0.00 C ATOM 270 CD ARG A 20 24.003 6.519 -0.677 1.00 0.00 C ATOM 271 NE ARG A 20 23.208 6.742 0.544 1.00 0.00 N ATOM 272 CZ ARG A 20 23.686 7.195 1.715 1.00 0.00 C ATOM 273 NH1 ARG A 20 25.004 7.286 1.948 1.00 0.00 N ATOM 274 NH2 ARG A 20 22.825 7.572 2.667 1.00 0.00 N ATOM 0 H ARG A 20 23.226 2.288 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 20 25.758 2.895 -0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.826 4.200 0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 20 25.430 4.880 0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.932 4.914 -1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.263 4.602 -1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.978 6.991 -0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.511 7.006 -1.519 1.00 0.00 H new ATOM 0 HE ARG A 20 22.210 6.535 0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 20 25.670 7.008 1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 20 25.340 7.633 2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.821 7.513 2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.173 7.918 3.561 1.00 0.00 H new ATOM 288 N ILE A 21 25.630 2.340 2.316 1.00 0.00 N ATOM 289 CA ILE A 21 26.394 2.018 3.511 1.00 0.00 C ATOM 290 C ILE A 21 27.289 0.816 3.223 1.00 0.00 C ATOM 291 O ILE A 21 28.498 0.889 3.437 1.00 0.00 O ATOM 292 CB ILE A 21 25.442 1.775 4.701 1.00 0.00 C ATOM 293 CG1 ILE A 21 24.707 3.061 5.129 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.166 1.147 5.901 1.00 0.00 C ATOM 295 CD1 ILE A 21 25.569 4.067 5.899 1.00 0.00 C ATOM 0 H ILE A 21 24.627 2.417 2.487 1.00 0.00 H new ATOM 0 HA ILE A 21 27.036 2.854 3.787 1.00 0.00 H new ATOM 0 HB ILE A 21 24.695 1.063 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 21 24.311 3.550 4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 21 23.853 2.786 5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 21 25.457 0.994 6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 21 26.593 0.188 5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 21 26.963 1.812 6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 21 24.968 4.938 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 21 25.945 3.602 6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 21 26.409 4.377 5.277 1.00 0.00 H new ATOM 307 N LYS A 22 26.716 -0.271 2.699 1.00 0.00 N ATOM 308 CA LYS A 22 27.468 -1.477 2.393 1.00 0.00 C ATOM 309 C LYS A 22 28.648 -1.178 1.459 1.00 0.00 C ATOM 310 O LYS A 22 29.731 -1.724 1.651 1.00 0.00 O ATOM 311 CB LYS A 22 26.514 -2.538 1.824 1.00 0.00 C ATOM 312 CG LYS A 22 27.188 -3.888 1.526 1.00 0.00 C ATOM 313 CD LYS A 22 27.904 -4.528 2.725 1.00 0.00 C ATOM 314 CE LYS A 22 26.970 -4.742 3.923 1.00 0.00 C ATOM 315 NZ LYS A 22 27.653 -5.470 5.007 1.00 0.00 N ATOM 0 H LYS A 22 25.722 -0.334 2.478 1.00 0.00 H new ATOM 0 HA LYS A 22 27.908 -1.874 3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.701 -2.698 2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.067 -2.156 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.432 -4.582 1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 22 27.910 -3.748 0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.326 -5.486 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 22 28.737 -3.894 3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 22 26.621 -3.778 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.089 -5.300 3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 26.998 -5.601 5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 27.964 -6.399 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 28.480 -4.925 5.324 1.00 0.00 H new ATOM 329 N LEU A 23 28.451 -0.313 0.458 1.00 0.00 N ATOM 330 CA LEU A 23 29.516 0.079 -0.467 1.00 0.00 C ATOM 331 C LEU A 23 30.358 1.259 0.048 1.00 0.00 C ATOM 332 O LEU A 23 31.306 1.669 -0.619 1.00 0.00 O ATOM 333 CB LEU A 23 28.913 0.395 -1.844 1.00 0.00 C ATOM 334 CG LEU A 23 28.141 -0.777 -2.470 1.00 0.00 C ATOM 335 CD1 LEU A 23 27.522 -0.332 -3.798 1.00 0.00 C ATOM 336 CD2 LEU A 23 29.039 -1.997 -2.720 1.00 0.00 C ATOM 0 H LEU A 23 27.553 0.132 0.268 1.00 0.00 H new ATOM 0 HA LEU A 23 30.201 -0.765 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 23 28.243 1.249 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 23 29.714 0.692 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 23 27.365 -1.071 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.975 -1.164 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 23 26.839 0.499 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 23 28.311 -0.013 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 23 28.448 -2.799 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 23 29.845 -1.722 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 29.462 -2.337 -1.775 1.00 0.00 H new ATOM 348 N GLY A 24 30.035 1.830 1.211 1.00 0.00 N ATOM 349 CA GLY A 24 30.693 3.021 1.734 1.00 0.00 C ATOM 350 C GLY A 24 30.442 4.260 0.869 1.00 0.00 C ATOM 351 O GLY A 24 31.225 5.214 0.899 1.00 0.00 O ATOM 0 H GLY A 24 29.300 1.471 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.339 3.212 2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.766 2.840 1.800 1.00 0.00 H new ATOM 355 N PHE A 25 29.339 4.291 0.118 1.00 0.00 N ATOM 356 CA PHE A 25 29.008 5.398 -0.773 1.00 0.00 C ATOM 357 C PHE A 25 28.423 6.519 0.070 1.00 0.00 C ATOM 358 O PHE A 25 27.277 6.465 0.516 1.00 0.00 O ATOM 359 CB PHE A 25 28.108 4.919 -1.906 1.00 0.00 C ATOM 360 CG PHE A 25 28.763 3.965 -2.896 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.131 3.628 -2.807 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.003 3.467 -3.969 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.738 2.848 -3.804 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.614 2.691 -4.972 1.00 0.00 C ATOM 365 CZ PHE A 25 29.983 2.387 -4.892 1.00 0.00 C ATOM 0 H PHE A 25 28.647 3.542 0.113 1.00 0.00 H new ATOM 0 HA PHE A 25 29.893 5.794 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.237 4.426 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.744 5.789 -2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 25 30.715 3.973 -1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 25 26.946 3.681 -4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.787 2.603 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.029 2.329 -5.805 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.453 1.799 -5.667 1.00 0.00 H new ATOM 375 N THR A 26 29.265 7.516 0.322 1.00 0.00 N ATOM 376 CA THR A 26 29.042 8.523 1.346 1.00 0.00 C ATOM 377 C THR A 26 29.674 9.844 0.907 1.00 0.00 C ATOM 378 O THR A 26 28.970 10.802 0.602 1.00 0.00 O ATOM 379 CB THR A 26 29.675 7.993 2.647 1.00 0.00 C ATOM 380 OG1 THR A 26 31.020 7.602 2.411 1.00 0.00 O ATOM 381 CG2 THR A 26 28.931 6.768 3.196 1.00 0.00 C ATOM 0 H THR A 26 30.137 7.647 -0.191 1.00 0.00 H new ATOM 0 HA THR A 26 27.980 8.711 1.506 1.00 0.00 H new ATOM 0 HB THR A 26 29.618 8.804 3.373 1.00 0.00 H new ATOM 0 HG1 THR A 26 31.033 6.749 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 26 29.413 6.430 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 26 27.896 7.036 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 26 28.955 5.967 2.457 1.00 0.00 H new ATOM 389 N GLN A 27 31.009 9.855 0.849 1.00 0.00 N ATOM 390 CA GLN A 27 31.863 10.923 0.337 1.00 0.00 C ATOM 391 C GLN A 27 31.262 11.650 -0.874 1.00 0.00 C ATOM 392 O GLN A 27 31.327 12.873 -0.956 1.00 0.00 O ATOM 393 CB GLN A 27 33.268 10.364 0.036 1.00 0.00 C ATOM 394 CG GLN A 27 33.368 9.378 -1.145 1.00 0.00 C ATOM 395 CD GLN A 27 32.462 8.161 -0.984 1.00 0.00 C ATOM 396 OE1 GLN A 27 31.357 8.125 -1.528 1.00 0.00 O ATOM 397 NE2 GLN A 27 32.884 7.188 -0.185 1.00 0.00 N ATOM 0 H GLN A 27 31.556 9.061 1.182 1.00 0.00 H new ATOM 0 HA GLN A 27 31.943 11.684 1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 27 33.936 11.203 -0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 27 33.638 9.865 0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 27 33.109 9.897 -2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 27 34.401 9.044 -1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 27 33.805 7.248 0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 27 32.288 6.380 -0.006 1.00 0.00 H new ATOM 406 N GLY A 28 30.694 10.887 -1.811 1.00 0.00 N ATOM 407 CA GLY A 28 30.016 11.415 -2.986 1.00 0.00 C ATOM 408 C GLY A 28 30.152 10.508 -4.208 1.00 0.00 C ATOM 409 O GLY A 28 29.973 10.976 -5.330 1.00 0.00 O ATOM 0 H GLY A 28 30.695 9.868 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 28 28.959 11.553 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 28 30.422 12.398 -3.223 1.00 0.00 H new ATOM 413 N ASP A 29 30.430 9.212 -4.014 1.00 0.00 N ATOM 414 CA ASP A 29 30.495 8.233 -5.093 1.00 0.00 C ATOM 415 C ASP A 29 29.224 8.298 -5.948 1.00 0.00 C ATOM 416 O ASP A 29 29.277 8.565 -7.150 1.00 0.00 O ATOM 417 CB ASP A 29 30.712 6.842 -4.479 1.00 0.00 C ATOM 418 CG ASP A 29 30.627 5.746 -5.540 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.491 5.457 -5.978 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.703 5.234 -5.913 1.00 0.00 O ATOM 0 H ASP A 29 30.617 8.816 -3.093 1.00 0.00 H new ATOM 0 HA ASP A 29 31.331 8.452 -5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.687 6.805 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.964 6.662 -3.707 1.00 0.00 H new ATOM 425 N VAL A 30 28.073 8.090 -5.300 1.00 0.00 N ATOM 426 CA VAL A 30 26.779 8.215 -5.951 1.00 0.00 C ATOM 427 C VAL A 30 26.670 9.605 -6.576 1.00 0.00 C ATOM 428 O VAL A 30 26.269 9.721 -7.725 1.00 0.00 O ATOM 429 CB VAL A 30 25.637 7.919 -4.961 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.267 8.251 -5.562 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.610 6.431 -4.594 1.00 0.00 C ATOM 0 H VAL A 30 28.019 7.832 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 30 26.689 7.477 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 30 25.825 8.538 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.487 8.029 -4.834 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.230 9.309 -5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 30 24.108 7.652 -6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.796 6.244 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.458 5.837 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.557 6.153 -4.132 1.00 0.00 H new ATOM 441 N GLY A 31 27.047 10.654 -5.844 1.00 0.00 N ATOM 442 CA GLY A 31 27.028 12.024 -6.340 1.00 0.00 C ATOM 443 C GLY A 31 27.695 12.167 -7.704 1.00 0.00 C ATOM 444 O GLY A 31 27.111 12.755 -8.614 1.00 0.00 O ATOM 0 H GLY A 31 27.376 10.572 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.996 12.367 -6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.533 12.672 -5.624 1.00 0.00 H new ATOM 448 N LEU A 32 28.909 11.633 -7.849 1.00 0.00 N ATOM 449 CA LEU A 32 29.659 11.679 -9.096 1.00 0.00 C ATOM 450 C LEU A 32 28.890 10.953 -10.191 1.00 0.00 C ATOM 451 O LEU A 32 28.609 11.511 -11.251 1.00 0.00 O ATOM 452 CB LEU A 32 31.033 11.036 -8.879 1.00 0.00 C ATOM 453 CG LEU A 32 31.959 11.090 -10.106 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.258 12.528 -10.549 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.274 10.381 -9.768 1.00 0.00 C ATOM 0 H LEU A 32 29.400 11.153 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 32 29.797 12.715 -9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.526 11.534 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.892 9.994 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 32 31.449 10.593 -10.931 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.915 12.512 -11.418 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.326 13.030 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.745 13.065 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.938 10.414 -10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.751 10.881 -8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 32 33.071 9.343 -9.506 1.00 0.00 H new ATOM 467 N ALA A 33 28.569 9.689 -9.924 1.00 0.00 N ATOM 468 CA ALA A 33 27.874 8.836 -10.881 1.00 0.00 C ATOM 469 C ALA A 33 26.577 9.498 -11.365 1.00 0.00 C ATOM 470 O ALA A 33 26.374 9.686 -12.563 1.00 0.00 O ATOM 471 CB ALA A 33 27.613 7.472 -10.245 1.00 0.00 C ATOM 0 H ALA A 33 28.784 9.229 -9.039 1.00 0.00 H new ATOM 0 HA ALA A 33 28.501 8.693 -11.761 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.093 6.832 -10.958 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.562 7.012 -9.968 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.997 7.598 -9.354 1.00 0.00 H new ATOM 477 N MET A 34 25.713 9.883 -10.428 1.00 0.00 N ATOM 478 CA MET A 34 24.488 10.624 -10.685 1.00 0.00 C ATOM 479 C MET A 34 24.790 11.900 -11.464 1.00 0.00 C ATOM 480 O MET A 34 24.089 12.220 -12.419 1.00 0.00 O ATOM 481 CB MET A 34 23.812 10.972 -9.352 1.00 0.00 C ATOM 482 CG MET A 34 23.243 9.729 -8.653 1.00 0.00 C ATOM 483 SD MET A 34 22.051 8.738 -9.579 1.00 0.00 S ATOM 484 CE MET A 34 20.899 10.034 -10.029 1.00 0.00 C ATOM 0 H MET A 34 25.854 9.679 -9.439 1.00 0.00 H new ATOM 0 HA MET A 34 23.818 10.005 -11.282 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.534 11.458 -8.696 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.009 11.688 -9.529 1.00 0.00 H new ATOM 0 HG2 MET A 34 24.077 9.084 -8.377 1.00 0.00 H new ATOM 0 HG3 MET A 34 22.768 10.050 -7.726 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.039 9.596 -10.536 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.565 10.553 -9.130 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.391 10.743 -10.695 1.00 0.00 H new ATOM 494 N GLY A 35 25.837 12.611 -11.056 1.00 0.00 N ATOM 495 CA GLY A 35 26.423 13.732 -11.773 1.00 0.00 C ATOM 496 C GLY A 35 26.536 13.445 -13.265 1.00 0.00 C ATOM 497 O GLY A 35 26.017 14.203 -14.081 1.00 0.00 O ATOM 0 H GLY A 35 26.318 12.411 -10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.814 14.622 -11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.411 13.948 -11.367 1.00 0.00 H new ATOM 501 N LYS A 36 27.212 12.353 -13.616 1.00 0.00 N ATOM 502 CA LYS A 36 27.385 11.966 -15.010 1.00 0.00 C ATOM 503 C LYS A 36 26.054 11.560 -15.656 1.00 0.00 C ATOM 504 O LYS A 36 25.740 12.008 -16.756 1.00 0.00 O ATOM 505 CB LYS A 36 28.423 10.841 -15.134 1.00 0.00 C ATOM 506 CG LYS A 36 29.806 11.190 -14.555 1.00 0.00 C ATOM 507 CD LYS A 36 30.423 12.489 -15.094 1.00 0.00 C ATOM 508 CE LYS A 36 30.583 12.474 -16.619 1.00 0.00 C ATOM 509 NZ LYS A 36 31.265 13.690 -17.096 1.00 0.00 N ATOM 0 H LYS A 36 27.650 11.719 -12.948 1.00 0.00 H new ATOM 0 HA LYS A 36 27.754 12.837 -15.552 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.043 9.954 -14.627 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.537 10.582 -16.187 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.721 11.268 -13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.489 10.367 -14.763 1.00 0.00 H new ATOM 0 HD2 LYS A 36 29.795 13.332 -14.806 1.00 0.00 H new ATOM 0 HD3 LYS A 36 31.398 12.644 -14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 36 31.152 11.594 -16.919 1.00 0.00 H new ATOM 0 HE3 LYS A 36 29.603 12.396 -17.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 31.359 13.652 -18.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 30.709 14.527 -16.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.209 13.750 -16.665 1.00 0.00 H new ATOM 523 N LEU A 37 25.292 10.677 -15.005 1.00 0.00 N ATOM 524 CA LEU A 37 24.122 10.052 -15.618 1.00 0.00 C ATOM 525 C LEU A 37 22.921 10.996 -15.751 1.00 0.00 C ATOM 526 O LEU A 37 22.146 10.858 -16.695 1.00 0.00 O ATOM 527 CB LEU A 37 23.729 8.788 -14.837 1.00 0.00 C ATOM 528 CG LEU A 37 24.795 7.681 -14.819 1.00 0.00 C ATOM 529 CD1 LEU A 37 24.247 6.485 -14.032 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.196 7.216 -16.223 1.00 0.00 C ATOM 0 H LEU A 37 25.468 10.378 -14.046 1.00 0.00 H new ATOM 0 HA LEU A 37 24.410 9.785 -16.635 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.501 9.070 -13.809 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.813 8.383 -15.267 1.00 0.00 H new ATOM 0 HG LEU A 37 25.689 8.092 -14.350 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.993 5.691 -14.011 1.00 0.00 H new ATOM 0 HD12 LEU A 37 24.017 6.795 -13.012 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.340 6.118 -14.513 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.951 6.434 -16.145 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.320 6.825 -16.741 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.602 8.058 -16.783 1.00 0.00 H new ATOM 542 N TYR A 38 22.728 11.908 -14.795 1.00 0.00 N ATOM 543 CA TYR A 38 21.555 12.774 -14.703 1.00 0.00 C ATOM 544 C TYR A 38 21.964 14.219 -14.407 1.00 0.00 C ATOM 545 O TYR A 38 21.621 15.133 -15.154 1.00 0.00 O ATOM 546 CB TYR A 38 20.612 12.271 -13.599 1.00 0.00 C ATOM 547 CG TYR A 38 20.024 10.887 -13.809 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.692 9.760 -13.298 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.728 10.744 -14.341 1.00 0.00 C ATOM 550 CE1 TYR A 38 20.050 8.511 -13.261 1.00 0.00 C ATOM 551 CE2 TYR A 38 18.087 9.493 -14.310 1.00 0.00 C ATOM 552 CZ TYR A 38 18.746 8.383 -13.764 1.00 0.00 C ATOM 553 OH TYR A 38 18.056 7.224 -13.592 1.00 0.00 O ATOM 0 H TYR A 38 23.401 12.067 -14.046 1.00 0.00 H new ATOM 0 HA TYR A 38 21.039 12.747 -15.663 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.156 12.274 -12.654 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.792 12.982 -13.497 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.704 9.855 -12.932 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.226 11.597 -14.774 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.558 7.653 -12.847 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.088 9.387 -14.706 1.00 0.00 H new ATOM 0 HH TYR A 38 18.063 6.977 -12.644 1.00 0.00 H new ATOM 563 N GLY A 39 22.643 14.430 -13.279 1.00 0.00 N ATOM 564 CA GLY A 39 22.958 15.741 -12.739 1.00 0.00 C ATOM 565 C GLY A 39 23.337 15.579 -11.269 1.00 0.00 C ATOM 566 O GLY A 39 22.823 14.685 -10.591 1.00 0.00 O ATOM 0 H GLY A 39 22.997 13.666 -12.703 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.780 16.193 -13.295 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.102 16.408 -12.838 1.00 0.00 H new ATOM 570 N ASN A 40 24.265 16.404 -10.773 1.00 0.00 N ATOM 571 CA ASN A 40 24.855 16.193 -9.457 1.00 0.00 C ATOM 572 C ASN A 40 23.957 16.737 -8.350 1.00 0.00 C ATOM 573 O ASN A 40 24.267 17.736 -7.709 1.00 0.00 O ATOM 574 CB ASN A 40 26.289 16.737 -9.356 1.00 0.00 C ATOM 575 CG ASN A 40 26.837 16.515 -7.942 1.00 0.00 C ATOM 576 OD1 ASN A 40 27.253 17.454 -7.272 1.00 0.00 O ATOM 577 ND2 ASN A 40 26.799 15.276 -7.457 1.00 0.00 N ATOM 0 H ASN A 40 24.620 17.223 -11.267 1.00 0.00 H new ATOM 0 HA ASN A 40 24.931 15.115 -9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.928 16.238 -10.085 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.301 17.800 -9.597 1.00 0.00 H new ATOM 0 HD21 ASN A 40 27.121 15.090 -6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.448 14.512 -8.035 1.00 0.00 H new ATOM 584 N ASP A 41 22.826 16.068 -8.150 1.00 0.00 N ATOM 585 CA ASP A 41 22.005 16.239 -6.959 1.00 0.00 C ATOM 586 C ASP A 41 22.236 14.972 -6.134 1.00 0.00 C ATOM 587 O ASP A 41 23.267 14.315 -6.310 1.00 0.00 O ATOM 588 CB ASP A 41 20.543 16.529 -7.345 1.00 0.00 C ATOM 589 CG ASP A 41 19.720 17.178 -6.231 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.116 17.038 -5.051 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.688 17.789 -6.576 1.00 0.00 O ATOM 0 H ASP A 41 22.452 15.389 -8.813 1.00 0.00 H new ATOM 0 HA ASP A 41 22.274 17.105 -6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.532 17.182 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.064 15.595 -7.639 1.00 0.00 H new ATOM 596 N PHE A 42 21.296 14.584 -5.273 1.00 0.00 N ATOM 597 CA PHE A 42 21.287 13.289 -4.607 1.00 0.00 C ATOM 598 C PHE A 42 22.471 13.172 -3.637 1.00 0.00 C ATOM 599 O PHE A 42 22.309 13.441 -2.447 1.00 0.00 O ATOM 600 CB PHE A 42 21.191 12.159 -5.652 1.00 0.00 C ATOM 601 CG PHE A 42 20.247 12.480 -6.800 1.00 0.00 C ATOM 602 CD1 PHE A 42 18.859 12.504 -6.578 1.00 0.00 C ATOM 603 CD2 PHE A 42 20.764 12.972 -8.017 1.00 0.00 C ATOM 604 CE1 PHE A 42 17.996 13.014 -7.564 1.00 0.00 C ATOM 605 CE2 PHE A 42 19.895 13.390 -9.039 1.00 0.00 C ATOM 606 CZ PHE A 42 18.511 13.439 -8.802 1.00 0.00 C ATOM 0 H PHE A 42 20.505 15.175 -5.016 1.00 0.00 H new ATOM 0 HA PHE A 42 20.399 13.189 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.185 11.959 -6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 42 20.856 11.246 -5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 42 18.455 12.130 -5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 42 21.833 13.028 -8.164 1.00 0.00 H new ATOM 0 HE1 PHE A 42 16.936 13.080 -7.370 1.00 0.00 H new ATOM 0 HE2 PHE A 42 20.290 13.673 -10.004 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.844 13.802 -9.569 1.00 0.00 H new ATOM 616 N SER A 43 23.646 12.825 -4.177 1.00 0.00 N ATOM 617 CA SER A 43 24.972 12.768 -3.577 1.00 0.00 C ATOM 618 C SER A 43 25.041 12.112 -2.201 1.00 0.00 C ATOM 619 O SER A 43 25.562 11.007 -2.069 1.00 0.00 O ATOM 620 CB SER A 43 25.623 14.155 -3.625 1.00 0.00 C ATOM 621 OG SER A 43 25.738 14.585 -4.972 1.00 0.00 O ATOM 0 H SER A 43 23.687 12.547 -5.157 1.00 0.00 H new ATOM 0 HA SER A 43 25.559 12.083 -4.188 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.026 14.867 -3.056 1.00 0.00 H new ATOM 0 HB3 SER A 43 26.608 14.121 -3.159 1.00 0.00 H new ATOM 0 HG SER A 43 24.854 14.575 -5.395 1.00 0.00 H new ATOM 627 N GLN A 44 24.545 12.811 -1.185 1.00 0.00 N ATOM 628 CA GLN A 44 24.491 12.334 0.180 1.00 0.00 C ATOM 629 C GLN A 44 23.426 13.151 0.905 1.00 0.00 C ATOM 630 O GLN A 44 22.531 12.583 1.515 1.00 0.00 O ATOM 631 CB GLN A 44 25.877 12.426 0.848 1.00 0.00 C ATOM 632 CG GLN A 44 26.080 11.340 1.914 1.00 0.00 C ATOM 633 CD GLN A 44 25.038 11.413 3.024 1.00 0.00 C ATOM 634 OE1 GLN A 44 25.048 12.344 3.820 1.00 0.00 O ATOM 635 NE2 GLN A 44 24.110 10.461 3.067 1.00 0.00 N ATOM 0 H GLN A 44 24.161 13.749 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 44 24.219 11.279 0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.652 12.335 0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.993 13.408 1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 44 26.036 10.359 1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 44 27.075 11.441 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 44 24.130 9.699 2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 44 23.379 10.493 3.778 1.00 0.00 H new ATOM 644 N THR A 45 23.488 14.480 0.805 1.00 0.00 N ATOM 645 CA THR A 45 22.544 15.394 1.433 1.00 0.00 C ATOM 646 C THR A 45 21.110 15.076 0.998 1.00 0.00 C ATOM 647 O THR A 45 20.319 14.544 1.774 1.00 0.00 O ATOM 648 CB THR A 45 22.946 16.825 1.051 1.00 0.00 C ATOM 649 OG1 THR A 45 23.181 16.870 -0.346 1.00 0.00 O ATOM 650 CG2 THR A 45 24.225 17.245 1.780 1.00 0.00 C ATOM 0 H THR A 45 24.215 14.958 0.272 1.00 0.00 H new ATOM 0 HA THR A 45 22.573 15.285 2.517 1.00 0.00 H new ATOM 0 HB THR A 45 22.143 17.505 1.334 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.437 17.780 -0.605 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.490 18.263 1.493 1.00 0.00 H new ATOM 0 HG22 THR A 45 24.061 17.203 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 45 25.036 16.569 1.510 1.00 0.00 H new ATOM 658 N THR A 46 20.772 15.390 -0.253 1.00 0.00 N ATOM 659 CA THR A 46 19.449 15.153 -0.811 1.00 0.00 C ATOM 660 C THR A 46 19.051 13.677 -0.688 1.00 0.00 C ATOM 661 O THR A 46 17.900 13.360 -0.402 1.00 0.00 O ATOM 662 CB THR A 46 19.425 15.659 -2.257 1.00 0.00 C ATOM 663 OG1 THR A 46 19.915 16.983 -2.292 1.00 0.00 O ATOM 664 CG2 THR A 46 18.021 15.628 -2.866 1.00 0.00 C ATOM 0 H THR A 46 21.420 15.821 -0.912 1.00 0.00 H new ATOM 0 HA THR A 46 18.701 15.707 -0.244 1.00 0.00 H new ATOM 0 HB THR A 46 20.054 14.993 -2.848 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.075 17.248 -3.222 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.061 15.997 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.645 14.605 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.356 16.261 -2.279 1.00 0.00 H new ATOM 672 N ILE A 47 20.004 12.762 -0.867 1.00 0.00 N ATOM 673 CA ILE A 47 19.792 11.340 -0.613 1.00 0.00 C ATOM 674 C ILE A 47 19.350 11.077 0.834 1.00 0.00 C ATOM 675 O ILE A 47 18.425 10.303 1.073 1.00 0.00 O ATOM 676 CB ILE A 47 21.054 10.578 -1.058 1.00 0.00 C ATOM 677 CG1 ILE A 47 20.772 10.030 -2.464 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.499 9.456 -0.116 1.00 0.00 C ATOM 679 CD1 ILE A 47 22.018 9.547 -3.203 1.00 0.00 C ATOM 0 H ILE A 47 20.944 12.987 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 47 18.958 10.961 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 47 21.891 11.277 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.065 9.204 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 47 20.289 10.808 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.395 8.980 -0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.717 9.872 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.703 8.717 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.736 9.175 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.718 10.375 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.491 8.746 -2.634 1.00 0.00 H new ATOM 691 N SER A 48 19.967 11.742 1.805 1.00 0.00 N ATOM 692 CA SER A 48 19.529 11.666 3.192 1.00 0.00 C ATOM 693 C SER A 48 18.136 12.280 3.349 1.00 0.00 C ATOM 694 O SER A 48 17.293 11.696 4.023 1.00 0.00 O ATOM 695 CB SER A 48 20.547 12.297 4.146 1.00 0.00 C ATOM 696 OG SER A 48 21.796 11.657 3.987 1.00 0.00 O ATOM 0 H SER A 48 20.777 12.343 1.654 1.00 0.00 H new ATOM 0 HA SER A 48 19.462 10.614 3.468 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.643 13.363 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.205 12.201 5.176 1.00 0.00 H new ATOM 0 HG SER A 48 22.254 12.024 3.202 1.00 0.00 H new ATOM 702 N ARG A 49 17.869 13.432 2.722 1.00 0.00 N ATOM 703 CA ARG A 49 16.537 14.040 2.740 1.00 0.00 C ATOM 704 C ARG A 49 15.484 13.040 2.242 1.00 0.00 C ATOM 705 O ARG A 49 14.439 12.864 2.865 1.00 0.00 O ATOM 706 CB ARG A 49 16.491 15.332 1.904 1.00 0.00 C ATOM 707 CG ARG A 49 17.448 16.412 2.421 1.00 0.00 C ATOM 708 CD ARG A 49 17.287 17.707 1.618 1.00 0.00 C ATOM 709 NE ARG A 49 18.296 18.700 2.016 1.00 0.00 N ATOM 710 CZ ARG A 49 19.393 19.066 1.332 1.00 0.00 C ATOM 711 NH1 ARG A 49 19.716 18.512 0.157 1.00 0.00 N ATOM 712 NH2 ARG A 49 20.182 20.015 1.845 1.00 0.00 N ATOM 0 H ARG A 49 18.562 13.962 2.194 1.00 0.00 H new ATOM 0 HA ARG A 49 16.310 14.307 3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.740 15.098 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.474 15.724 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.251 16.605 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.477 16.059 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 49 17.381 17.494 0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 49 16.288 18.115 1.774 1.00 0.00 H new ATOM 0 HE ARG A 49 18.146 19.163 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.121 17.788 -0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.557 18.814 -0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.946 20.446 2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 49 21.020 20.308 1.343 1.00 0.00 H new ATOM 726 N PHE A 50 15.768 12.381 1.119 1.00 0.00 N ATOM 727 CA PHE A 50 14.944 11.328 0.539 1.00 0.00 C ATOM 728 C PHE A 50 14.710 10.214 1.555 1.00 0.00 C ATOM 729 O PHE A 50 13.575 9.912 1.909 1.00 0.00 O ATOM 730 CB PHE A 50 15.665 10.778 -0.693 1.00 0.00 C ATOM 731 CG PHE A 50 15.039 9.572 -1.362 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.698 9.608 -1.785 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.853 8.483 -1.726 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.203 8.617 -2.648 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.351 7.484 -2.574 1.00 0.00 C ATOM 736 CZ PHE A 50 14.038 7.570 -3.064 1.00 0.00 C ATOM 0 H PHE A 50 16.607 12.574 0.572 1.00 0.00 H new ATOM 0 HA PHE A 50 13.972 11.732 0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.738 11.577 -1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.683 10.517 -0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.047 10.400 -1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.864 8.416 -1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.180 8.661 -2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.976 6.647 -2.850 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.672 6.831 -3.761 1.00 0.00 H new ATOM 746 N GLU A 51 15.803 9.616 2.023 1.00 0.00 N ATOM 747 CA GLU A 51 15.787 8.519 2.985 1.00 0.00 C ATOM 748 C GLU A 51 15.015 8.870 4.263 1.00 0.00 C ATOM 749 O GLU A 51 14.305 8.022 4.803 1.00 0.00 O ATOM 750 CB GLU A 51 17.232 8.087 3.259 1.00 0.00 C ATOM 751 CG GLU A 51 17.782 7.320 2.041 1.00 0.00 C ATOM 752 CD GLU A 51 19.307 7.272 1.940 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.985 7.843 2.823 1.00 0.00 O ATOM 754 OE2 GLU A 51 19.784 6.644 0.971 1.00 0.00 O ATOM 0 H GLU A 51 16.744 9.887 1.737 1.00 0.00 H new ATOM 0 HA GLU A 51 15.243 7.676 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.851 8.961 3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.271 7.456 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.403 6.298 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.387 7.778 1.134 1.00 0.00 H new ATOM 761 N ALA A 52 15.135 10.111 4.738 1.00 0.00 N ATOM 762 CA ALA A 52 14.403 10.623 5.890 1.00 0.00 C ATOM 763 C ALA A 52 12.951 10.989 5.552 1.00 0.00 C ATOM 764 O ALA A 52 12.176 11.300 6.451 1.00 0.00 O ATOM 765 CB ALA A 52 15.141 11.844 6.445 1.00 0.00 C ATOM 0 H ALA A 52 15.759 10.801 4.320 1.00 0.00 H new ATOM 0 HA ALA A 52 14.359 9.832 6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.601 12.235 7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.147 11.554 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.201 12.614 5.676 1.00 0.00 H new ATOM 771 N LEU A 53 12.583 10.982 4.267 1.00 0.00 N ATOM 772 CA LEU A 53 11.283 11.398 3.763 1.00 0.00 C ATOM 773 C LEU A 53 10.986 12.847 4.157 1.00 0.00 C ATOM 774 O LEU A 53 9.899 13.193 4.612 1.00 0.00 O ATOM 775 CB LEU A 53 10.195 10.392 4.169 1.00 0.00 C ATOM 776 CG LEU A 53 9.190 10.159 3.030 1.00 0.00 C ATOM 777 CD1 LEU A 53 8.189 9.086 3.474 1.00 0.00 C ATOM 778 CD2 LEU A 53 8.408 11.421 2.647 1.00 0.00 C ATOM 0 H LEU A 53 13.212 10.673 3.525 1.00 0.00 H new ATOM 0 HA LEU A 53 11.294 11.391 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.659 9.445 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.669 10.759 5.050 1.00 0.00 H new ATOM 0 HG LEU A 53 9.761 9.851 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.468 8.909 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.721 8.161 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.665 9.425 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.716 11.189 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.848 11.779 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.103 12.194 2.319 1.00 0.00 H new ATOM 790 N ASN A 54 11.971 13.714 3.929 1.00 0.00 N ATOM 791 CA ASN A 54 11.848 15.149 4.152 1.00 0.00 C ATOM 792 C ASN A 54 11.091 15.772 2.982 1.00 0.00 C ATOM 793 O ASN A 54 10.145 16.532 3.165 1.00 0.00 O ATOM 794 CB ASN A 54 13.243 15.763 4.306 1.00 0.00 C ATOM 795 CG ASN A 54 13.218 17.282 4.170 1.00 0.00 C ATOM 796 OD1 ASN A 54 13.754 17.827 3.211 1.00 0.00 O ATOM 797 ND2 ASN A 54 12.598 17.977 5.118 1.00 0.00 N ATOM 0 H ASN A 54 12.887 13.434 3.580 1.00 0.00 H new ATOM 0 HA ASN A 54 11.290 15.345 5.068 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.652 15.493 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.909 15.343 3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.558 18.995 5.061 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.162 17.493 5.903 1.00 0.00 H new ATOM 804 N LEU A 55 11.507 15.417 1.767 1.00 0.00 N ATOM 805 CA LEU A 55 10.791 15.771 0.553 1.00 0.00 C ATOM 806 C LEU A 55 9.496 14.960 0.527 1.00 0.00 C ATOM 807 O LEU A 55 9.503 13.800 0.127 1.00 0.00 O ATOM 808 CB LEU A 55 11.671 15.469 -0.670 1.00 0.00 C ATOM 809 CG LEU A 55 12.892 16.401 -0.747 1.00 0.00 C ATOM 810 CD1 LEU A 55 13.977 15.781 -1.634 1.00 0.00 C ATOM 811 CD2 LEU A 55 12.515 17.784 -1.293 1.00 0.00 C ATOM 0 H LEU A 55 12.354 14.874 1.602 1.00 0.00 H new ATOM 0 HA LEU A 55 10.552 16.834 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.008 14.433 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.077 15.574 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 55 13.272 16.526 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.836 16.451 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.286 14.823 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.582 15.628 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.404 18.414 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.100 17.679 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.773 18.243 -0.640 1.00 0.00 H new ATOM 823 N SER A 56 8.387 15.548 0.974 1.00 0.00 N ATOM 824 CA SER A 56 7.113 14.862 1.111 1.00 0.00 C ATOM 825 C SER A 56 6.534 14.496 -0.262 1.00 0.00 C ATOM 826 O SER A 56 5.683 15.219 -0.782 1.00 0.00 O ATOM 827 CB SER A 56 6.171 15.777 1.902 1.00 0.00 C ATOM 828 OG SER A 56 6.095 17.031 1.253 1.00 0.00 O ATOM 0 H SER A 56 8.353 16.528 1.254 1.00 0.00 H new ATOM 0 HA SER A 56 7.244 13.922 1.647 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.180 15.328 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.536 15.902 2.921 1.00 0.00 H new ATOM 0 HG SER A 56 5.800 16.903 0.327 1.00 0.00 H new ATOM 834 N PHE A 57 6.998 13.392 -0.852 1.00 0.00 N ATOM 835 CA PHE A 57 6.506 12.781 -2.090 1.00 0.00 C ATOM 836 C PHE A 57 6.938 13.536 -3.354 1.00 0.00 C ATOM 837 O PHE A 57 7.419 12.912 -4.301 1.00 0.00 O ATOM 838 CB PHE A 57 4.986 12.557 -2.055 1.00 0.00 C ATOM 839 CG PHE A 57 4.451 11.822 -3.268 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.624 10.431 -3.383 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.822 12.534 -4.309 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.118 9.746 -4.502 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.331 11.851 -5.435 1.00 0.00 C ATOM 844 CZ PHE A 57 3.462 10.454 -5.523 1.00 0.00 C ATOM 0 H PHE A 57 7.777 12.867 -0.453 1.00 0.00 H new ATOM 0 HA PHE A 57 6.983 11.802 -2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.731 11.993 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.487 13.523 -1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.147 9.888 -2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.717 13.607 -4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.234 8.675 -4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.853 12.400 -6.233 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.059 9.926 -6.374 1.00 0.00 H new ATOM 854 N LYS A 58 6.754 14.863 -3.362 1.00 0.00 N ATOM 855 CA LYS A 58 6.894 15.755 -4.515 1.00 0.00 C ATOM 856 C LYS A 58 8.027 15.325 -5.452 1.00 0.00 C ATOM 857 O LYS A 58 7.813 15.027 -6.626 1.00 0.00 O ATOM 858 CB LYS A 58 7.129 17.211 -4.059 1.00 0.00 C ATOM 859 CG LYS A 58 6.317 17.691 -2.848 1.00 0.00 C ATOM 860 CD LYS A 58 4.799 17.484 -2.971 1.00 0.00 C ATOM 861 CE LYS A 58 4.207 18.269 -4.148 1.00 0.00 C ATOM 862 NZ LYS A 58 2.738 18.152 -4.183 1.00 0.00 N ATOM 0 H LYS A 58 6.489 15.368 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 58 5.957 15.692 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.188 17.329 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.911 17.871 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.671 17.168 -1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.514 18.752 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.587 16.423 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.314 17.796 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.489 19.319 -4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.626 17.898 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.366 18.693 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.472 17.152 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.339 18.528 -3.300 1.00 0.00 H new ATOM 876 N ASN A 59 9.246 15.319 -4.912 1.00 0.00 N ATOM 877 CA ASN A 59 10.443 14.947 -5.648 1.00 0.00 C ATOM 878 C ASN A 59 10.548 13.431 -5.728 1.00 0.00 C ATOM 879 O ASN A 59 10.850 12.883 -6.786 1.00 0.00 O ATOM 880 CB ASN A 59 11.670 15.512 -4.935 1.00 0.00 C ATOM 881 CG ASN A 59 12.889 15.525 -5.852 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.821 14.751 -5.673 1.00 0.00 O ATOM 883 ND2 ASN A 59 12.903 16.411 -6.843 1.00 0.00 N ATOM 0 H ASN A 59 9.426 15.576 -3.941 1.00 0.00 H new ATOM 0 HA ASN A 59 10.389 15.353 -6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.459 16.525 -4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.885 14.914 -4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.702 16.457 -7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.114 17.045 -6.971 1.00 0.00 H new ATOM 890 N MET A 60 10.303 12.774 -4.589 1.00 0.00 N ATOM 891 CA MET A 60 10.448 11.333 -4.405 1.00 0.00 C ATOM 892 C MET A 60 9.901 10.549 -5.584 1.00 0.00 C ATOM 893 O MET A 60 10.527 9.601 -6.035 1.00 0.00 O ATOM 894 CB MET A 60 9.738 10.808 -3.161 1.00 0.00 C ATOM 895 CG MET A 60 10.064 11.524 -1.858 1.00 0.00 C ATOM 896 SD MET A 60 9.416 10.625 -0.425 1.00 0.00 S ATOM 897 CE MET A 60 10.644 9.311 -0.237 1.00 0.00 C ATOM 0 H MET A 60 9.988 13.250 -3.744 1.00 0.00 H new ATOM 0 HA MET A 60 11.523 11.186 -4.303 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.662 10.869 -3.327 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.983 9.752 -3.044 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.144 11.633 -1.762 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.643 12.529 -1.879 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.271 8.561 0.461 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.830 8.845 -1.205 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.573 9.733 0.147 1.00 0.00 H new ATOM 907 N CYS A 61 8.714 10.913 -6.062 1.00 0.00 N ATOM 908 CA CYS A 61 8.091 10.168 -7.147 1.00 0.00 C ATOM 909 C CYS A 61 8.935 10.166 -8.426 1.00 0.00 C ATOM 910 O CYS A 61 8.984 9.161 -9.132 1.00 0.00 O ATOM 911 CB CYS A 61 6.678 10.711 -7.380 1.00 0.00 C ATOM 912 SG CYS A 61 5.954 9.960 -8.856 1.00 0.00 S ATOM 0 H CYS A 61 8.173 11.707 -5.720 1.00 0.00 H new ATOM 0 HA CYS A 61 8.023 9.120 -6.854 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.052 10.501 -6.512 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.711 11.795 -7.494 1.00 0.00 H new ATOM 0 HG CYS A 61 6.849 9.232 -9.456 1.00 0.00 H new ATOM 917 N LYS A 62 9.649 11.260 -8.694 1.00 0.00 N ATOM 918 CA LYS A 62 10.585 11.354 -9.804 1.00 0.00 C ATOM 919 C LYS A 62 11.895 10.653 -9.425 1.00 0.00 C ATOM 920 O LYS A 62 12.489 9.913 -10.206 1.00 0.00 O ATOM 921 CB LYS A 62 10.836 12.834 -10.134 1.00 0.00 C ATOM 922 CG LYS A 62 9.534 13.649 -10.172 1.00 0.00 C ATOM 923 CD LYS A 62 9.811 15.057 -10.708 1.00 0.00 C ATOM 924 CE LYS A 62 8.566 15.948 -10.609 1.00 0.00 C ATOM 925 NZ LYS A 62 8.249 16.307 -9.213 1.00 0.00 N ATOM 0 H LYS A 62 9.590 12.113 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 62 10.170 10.865 -10.685 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.509 13.261 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.338 12.909 -11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.801 13.148 -10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.104 13.710 -9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.629 15.508 -10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.135 14.995 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.724 16.857 -11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.715 15.431 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.465 16.990 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.973 15.452 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.086 16.733 -8.765 1.00 0.00 H new ATOM 939 N LEU A 63 12.351 10.921 -8.202 1.00 0.00 N ATOM 940 CA LEU A 63 13.657 10.533 -7.694 1.00 0.00 C ATOM 941 C LEU A 63 13.801 9.028 -7.477 1.00 0.00 C ATOM 942 O LEU A 63 14.865 8.459 -7.713 1.00 0.00 O ATOM 943 CB LEU A 63 14.008 11.442 -6.506 1.00 0.00 C ATOM 944 CG LEU A 63 14.199 10.878 -5.085 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.531 10.129 -4.957 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.218 12.086 -4.139 1.00 0.00 C ATOM 0 H LEU A 63 11.797 11.434 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 63 14.425 10.702 -8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.931 11.961 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.224 12.197 -6.444 1.00 0.00 H new ATOM 0 HG LEU A 63 13.399 10.176 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.636 9.743 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.552 9.300 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.354 10.811 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.352 11.743 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.041 12.748 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.275 12.627 -4.221 1.00 0.00 H new ATOM 958 N LYS A 64 12.723 8.367 -7.062 1.00 0.00 N ATOM 959 CA LYS A 64 12.720 6.933 -6.822 1.00 0.00 C ATOM 960 C LYS A 64 13.103 6.131 -8.071 1.00 0.00 C ATOM 961 O LYS A 64 14.112 5.434 -8.016 1.00 0.00 O ATOM 962 CB LYS A 64 11.412 6.487 -6.158 1.00 0.00 C ATOM 963 CG LYS A 64 11.421 4.990 -5.808 1.00 0.00 C ATOM 964 CD LYS A 64 10.630 4.138 -6.811 1.00 0.00 C ATOM 965 CE LYS A 64 10.694 2.650 -6.446 1.00 0.00 C ATOM 966 NZ LYS A 64 10.037 2.364 -5.158 1.00 0.00 N ATOM 0 H LYS A 64 11.825 8.816 -6.883 1.00 0.00 H new ATOM 0 HA LYS A 64 13.509 6.707 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.249 7.070 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.577 6.697 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.451 4.637 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.001 4.852 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.591 4.466 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.030 4.287 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.219 2.064 -7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.736 2.334 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.984 1.335 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.586 2.792 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.076 2.762 -5.162 1.00 0.00 H new ATOM 980 N PRO A 65 12.362 6.186 -9.194 1.00 0.00 N ATOM 981 CA PRO A 65 12.734 5.448 -10.392 1.00 0.00 C ATOM 982 C PRO A 65 14.127 5.859 -10.879 1.00 0.00 C ATOM 983 O PRO A 65 14.922 5.011 -11.273 1.00 0.00 O ATOM 984 CB PRO A 65 11.635 5.723 -11.424 1.00 0.00 C ATOM 985 CG PRO A 65 11.000 7.028 -10.946 1.00 0.00 C ATOM 986 CD PRO A 65 11.147 6.948 -9.427 1.00 0.00 C ATOM 0 HA PRO A 65 12.805 4.377 -10.203 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.046 5.823 -12.428 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.906 4.913 -11.457 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.512 7.899 -11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.955 7.102 -11.247 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.217 7.943 -8.987 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.284 6.459 -8.974 1.00 0.00 H new ATOM 994 N LEU A 66 14.437 7.156 -10.818 1.00 0.00 N ATOM 995 CA LEU A 66 15.749 7.698 -11.143 1.00 0.00 C ATOM 996 C LEU A 66 16.866 6.961 -10.380 1.00 0.00 C ATOM 997 O LEU A 66 17.815 6.464 -10.997 1.00 0.00 O ATOM 998 CB LEU A 66 15.675 9.218 -10.909 1.00 0.00 C ATOM 999 CG LEU A 66 17.002 9.988 -10.892 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.830 11.353 -11.569 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.434 10.236 -9.445 1.00 0.00 C ATOM 0 H LEU A 66 13.766 7.870 -10.535 1.00 0.00 H new ATOM 0 HA LEU A 66 16.017 7.534 -12.187 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.044 9.649 -11.686 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.172 9.390 -9.957 1.00 0.00 H new ATOM 0 HG LEU A 66 17.749 9.396 -11.422 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.778 11.890 -11.551 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.514 11.209 -12.602 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.075 11.931 -11.036 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.377 10.783 -9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.670 10.821 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.563 9.281 -8.935 1.00 0.00 H new ATOM 1013 N LEU A 67 16.758 6.847 -9.052 1.00 0.00 N ATOM 1014 CA LEU A 67 17.724 6.107 -8.255 1.00 0.00 C ATOM 1015 C LEU A 67 17.602 4.602 -8.482 1.00 0.00 C ATOM 1016 O LEU A 67 18.605 3.897 -8.428 1.00 0.00 O ATOM 1017 CB LEU A 67 17.570 6.437 -6.766 1.00 0.00 C ATOM 1018 CG LEU A 67 18.101 7.812 -6.330 1.00 0.00 C ATOM 1019 CD1 LEU A 67 18.251 7.857 -4.810 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.458 8.206 -6.935 1.00 0.00 C ATOM 0 H LEU A 67 16.002 7.264 -8.509 1.00 0.00 H new ATOM 0 HA LEU A 67 18.718 6.415 -8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.513 6.377 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.084 5.669 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 67 17.361 8.521 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.628 8.835 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 67 17.281 7.683 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.951 7.085 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.748 9.191 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.212 7.474 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.378 8.233 -8.022 1.00 0.00 H new ATOM 1032 N GLU A 68 16.395 4.084 -8.719 1.00 0.00 N ATOM 1033 CA GLU A 68 16.198 2.669 -8.994 1.00 0.00 C ATOM 1034 C GLU A 68 17.036 2.284 -10.212 1.00 0.00 C ATOM 1035 O GLU A 68 17.762 1.295 -10.162 1.00 0.00 O ATOM 1036 CB GLU A 68 14.704 2.359 -9.171 1.00 0.00 C ATOM 1037 CG GLU A 68 14.376 0.858 -9.105 1.00 0.00 C ATOM 1038 CD GLU A 68 14.907 0.060 -10.295 1.00 0.00 C ATOM 1039 OE1 GLU A 68 14.705 0.536 -11.434 1.00 0.00 O ATOM 1040 OE2 GLU A 68 15.502 -1.009 -10.042 1.00 0.00 O ATOM 0 H GLU A 68 15.536 4.633 -8.725 1.00 0.00 H new ATOM 0 HA GLU A 68 16.534 2.065 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.139 2.880 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.371 2.754 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.792 0.444 -8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.295 0.734 -9.049 1.00 0.00 H new ATOM 1047 N LYS A 69 16.974 3.077 -11.284 1.00 0.00 N ATOM 1048 CA LYS A 69 17.778 2.825 -12.469 1.00 0.00 C ATOM 1049 C LYS A 69 19.264 2.837 -12.102 1.00 0.00 C ATOM 1050 O LYS A 69 19.986 1.906 -12.456 1.00 0.00 O ATOM 1051 CB LYS A 69 17.450 3.851 -13.554 1.00 0.00 C ATOM 1052 CG LYS A 69 16.032 3.655 -14.111 1.00 0.00 C ATOM 1053 CD LYS A 69 15.451 4.927 -14.750 1.00 0.00 C ATOM 1054 CE LYS A 69 16.062 5.312 -16.105 1.00 0.00 C ATOM 1055 NZ LYS A 69 17.452 5.789 -15.992 1.00 0.00 N ATOM 0 H LYS A 69 16.373 3.898 -11.350 1.00 0.00 H new ATOM 0 HA LYS A 69 17.543 1.839 -12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.544 4.857 -13.144 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.174 3.768 -14.364 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.047 2.858 -14.854 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.374 3.328 -13.306 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.377 4.793 -14.878 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.588 5.758 -14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.032 4.449 -16.770 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.452 6.090 -16.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.641 6.488 -16.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.593 6.230 -15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.104 4.986 -16.097 1.00 0.00 H new ATOM 1069 N TRP A 70 19.718 3.854 -11.354 1.00 0.00 N ATOM 1070 CA TRP A 70 21.093 3.877 -10.861 1.00 0.00 C ATOM 1071 C TRP A 70 21.434 2.562 -10.159 1.00 0.00 C ATOM 1072 O TRP A 70 22.482 1.975 -10.418 1.00 0.00 O ATOM 1073 CB TRP A 70 21.351 5.071 -9.928 1.00 0.00 C ATOM 1074 CG TRP A 70 22.758 5.143 -9.406 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.755 5.884 -9.936 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.367 4.387 -8.315 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.938 5.602 -9.283 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.763 4.669 -8.284 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.884 3.473 -7.357 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.638 4.047 -7.380 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.743 2.852 -6.436 1.00 0.00 C ATOM 1082 CH2 TRP A 70 25.120 3.119 -6.459 1.00 0.00 C ATOM 0 H TRP A 70 19.156 4.661 -11.082 1.00 0.00 H new ATOM 0 HA TRP A 70 21.746 3.994 -11.726 1.00 0.00 H new ATOM 0 HB2 TRP A 70 21.125 5.993 -10.463 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.663 5.015 -9.084 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.644 6.589 -10.746 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.834 6.032 -9.512 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.829 3.245 -7.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.693 4.278 -7.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.341 2.165 -5.706 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.781 2.613 -5.771 1.00 0.00 H new ATOM 1093 N LEU A 71 20.562 2.095 -9.264 1.00 0.00 N ATOM 1094 CA LEU A 71 20.805 0.887 -8.489 1.00 0.00 C ATOM 1095 C LEU A 71 20.873 -0.322 -9.423 1.00 0.00 C ATOM 1096 O LEU A 71 21.767 -1.153 -9.295 1.00 0.00 O ATOM 1097 CB LEU A 71 19.741 0.731 -7.387 1.00 0.00 C ATOM 1098 CG LEU A 71 20.331 0.252 -6.049 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.198 0.091 -5.029 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.070 -1.087 -6.179 1.00 0.00 C ATOM 0 H LEU A 71 19.670 2.546 -9.059 1.00 0.00 H new ATOM 0 HA LEU A 71 21.768 0.960 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.239 1.687 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.983 0.022 -7.719 1.00 0.00 H new ATOM 0 HG LEU A 71 21.052 1.002 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.610 -0.248 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.698 1.049 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.480 -0.642 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 71 21.467 -1.379 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.378 -1.851 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 71 21.890 -0.982 -6.889 1.00 0.00 H new ATOM 1112 N ASN A 72 19.960 -0.407 -10.392 1.00 0.00 N ATOM 1113 CA ASN A 72 19.975 -1.456 -11.403 1.00 0.00 C ATOM 1114 C ASN A 72 21.303 -1.439 -12.165 1.00 0.00 C ATOM 1115 O ASN A 72 21.841 -2.500 -12.469 1.00 0.00 O ATOM 1116 CB ASN A 72 18.787 -1.288 -12.361 1.00 0.00 C ATOM 1117 CG ASN A 72 18.446 -2.540 -13.178 1.00 0.00 C ATOM 1118 OD1 ASN A 72 17.288 -2.741 -13.525 1.00 0.00 O ATOM 1119 ND2 ASN A 72 19.405 -3.404 -13.507 1.00 0.00 N ATOM 0 H ASN A 72 19.189 0.253 -10.495 1.00 0.00 H new ATOM 0 HA ASN A 72 19.879 -2.424 -10.911 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.910 -0.996 -11.784 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.003 -0.469 -13.048 1.00 0.00 H new ATOM 0 HD21 ASN A 72 19.177 -4.237 -14.050 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.368 -3.233 -13.216 1.00 0.00 H new ATOM 1126 N ASP A 73 21.816 -0.251 -12.497 1.00 0.00 N ATOM 1127 CA ASP A 73 23.076 -0.115 -13.220 1.00 0.00 C ATOM 1128 C ASP A 73 24.248 -0.558 -12.340 1.00 0.00 C ATOM 1129 O ASP A 73 25.081 -1.358 -12.755 1.00 0.00 O ATOM 1130 CB ASP A 73 23.280 1.336 -13.690 1.00 0.00 C ATOM 1131 CG ASP A 73 22.183 1.853 -14.618 1.00 0.00 C ATOM 1132 OD1 ASP A 73 21.663 1.037 -15.411 1.00 0.00 O ATOM 1133 OD2 ASP A 73 21.898 3.068 -14.532 1.00 0.00 O ATOM 0 H ASP A 73 21.369 0.638 -12.272 1.00 0.00 H new ATOM 0 HA ASP A 73 23.036 -0.759 -14.099 1.00 0.00 H new ATOM 0 HB2 ASP A 73 23.337 1.985 -12.816 1.00 0.00 H new ATOM 0 HB3 ASP A 73 24.239 1.408 -14.203 1.00 0.00 H new ATOM 1138 N ALA A 74 24.335 0.006 -11.134 1.00 0.00 N ATOM 1139 CA ALA A 74 25.470 -0.150 -10.234 1.00 0.00 C ATOM 1140 C ALA A 74 25.511 -1.537 -9.589 1.00 0.00 C ATOM 1141 O ALA A 74 26.586 -2.062 -9.311 1.00 0.00 O ATOM 1142 CB ALA A 74 25.401 0.938 -9.159 1.00 0.00 C ATOM 0 H ALA A 74 23.598 0.598 -10.750 1.00 0.00 H new ATOM 0 HA ALA A 74 26.386 -0.048 -10.815 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.246 0.832 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.437 1.919 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.471 0.839 -8.600 1.00 0.00 H new ATOM 1148 N GLU A 75 24.342 -2.111 -9.299 1.00 0.00 N ATOM 1149 CA GLU A 75 24.185 -3.377 -8.600 1.00 0.00 C ATOM 1150 C GLU A 75 25.020 -3.395 -7.319 1.00 0.00 C ATOM 1151 O GLU A 75 24.474 -3.357 -6.214 1.00 0.00 O ATOM 1152 CB GLU A 75 24.526 -4.553 -9.528 1.00 0.00 C ATOM 1153 CG GLU A 75 23.705 -4.495 -10.823 1.00 0.00 C ATOM 1154 CD GLU A 75 23.891 -5.752 -11.665 1.00 0.00 C ATOM 1155 OE1 GLU A 75 25.053 -6.013 -12.047 1.00 0.00 O ATOM 1156 OE2 GLU A 75 22.874 -6.440 -11.899 1.00 0.00 O ATOM 0 H GLU A 75 23.450 -1.688 -9.556 1.00 0.00 H new ATOM 0 HA GLU A 75 23.141 -3.488 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 75 25.589 -4.534 -9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.332 -5.494 -9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 75 22.650 -4.373 -10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 75 24.002 -3.621 -11.403 1.00 0.00 H new TER 1163 GLU A 75