USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 725 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 25 GLN : amide:sc= 0 X(o=-6.8,f=-7.1) USER MOD Set 1.2: A 37 MET CE :methyl 176:sc= -5.36 (180deg=-5.03) USER MOD Set 1.3: A 85 TYR OH : rot 180:sc= -1.45 USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= -0.097 (180deg=-1.04) USER MOD Single : A 7 ASN : amide:sc= -2.63 K(o=-2.6,f=-6.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -22:sc= -0.0394 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.719 K(o=-0.72,f=-4!) USER MOD Single : A 28 ASN : amide:sc= -0.844 K(o=-0.84,f=-6.7!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0692 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -134:sc= -1.93! (180deg=-2.83!) USER MOD Single : A 46 ASN : amide:sc= -0.0185 K(o=-0.018,f=-0.69) USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.1!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 130:sc= -0.4 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.9!) USER MOD Single : A 72 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.11) USER MOD Single : A 75 ASN : amide:sc= -0.867 K(o=-0.87,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0158 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= -0.338 (180deg=-1.28!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.210 -12.386 -9.781 1.00 0.00 N ATOM 31 CA LEU A 3 -10.053 -12.079 -8.365 1.00 0.00 C ATOM 32 C LEU A 3 -10.891 -13.022 -7.507 1.00 0.00 C ATOM 33 O LEU A 3 -12.094 -12.818 -7.338 1.00 0.00 O ATOM 34 CB LEU A 3 -10.452 -10.628 -8.089 1.00 0.00 C ATOM 35 CG LEU A 3 -9.371 -9.590 -8.392 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.942 -8.184 -8.306 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.197 -9.750 -7.438 1.00 0.00 C ATOM 0 HA LEU A 3 -9.004 -12.216 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.337 -10.392 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.736 -10.539 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.013 -9.752 -9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.158 -7.459 -8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.750 -8.074 -9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.328 -8.009 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.437 -9.003 -7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.540 -9.614 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.771 -10.747 -7.549 1.00 0.00 H new ATOM 49 N LEU A 4 -10.249 -14.053 -6.969 1.00 0.00 N ATOM 50 CA LEU A 4 -10.936 -15.027 -6.129 1.00 0.00 C ATOM 51 C LEU A 4 -11.542 -14.356 -4.900 1.00 0.00 C ATOM 52 O LEU A 4 -11.148 -13.251 -4.528 1.00 0.00 O ATOM 53 CB LEU A 4 -9.969 -16.131 -5.696 1.00 0.00 C ATOM 54 CG LEU A 4 -10.591 -17.522 -5.566 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.630 -18.218 -6.918 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.818 -18.358 -4.557 1.00 0.00 C ATOM 0 H LEU A 4 -9.254 -14.236 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.743 -15.468 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.152 -16.181 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.532 -15.854 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.615 -17.410 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.076 -19.206 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.226 -17.628 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.616 -18.319 -7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.274 -19.345 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.784 -18.462 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.841 -17.867 -3.584 1.00 0.00 H new ATOM 68 N LYS A 5 -12.501 -15.030 -4.275 1.00 0.00 N ATOM 69 CA LYS A 5 -13.161 -14.499 -3.089 1.00 0.00 C ATOM 70 C LYS A 5 -12.155 -14.266 -1.966 1.00 0.00 C ATOM 71 O LYS A 5 -12.146 -13.208 -1.337 1.00 0.00 O ATOM 72 CB LYS A 5 -14.257 -15.457 -2.617 1.00 0.00 C ATOM 73 CG LYS A 5 -15.257 -14.817 -1.668 1.00 0.00 C ATOM 74 CD LYS A 5 -16.499 -14.342 -2.404 1.00 0.00 C ATOM 75 CE LYS A 5 -16.355 -12.901 -2.870 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.945 -12.817 -4.298 1.00 0.00 N ATOM 0 H LYS A 5 -12.839 -15.946 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.613 -13.543 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.789 -15.843 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.794 -16.310 -2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.541 -15.535 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.789 -13.974 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.682 -14.987 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.366 -14.429 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.302 -12.379 -2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.618 -12.391 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.343 -11.980 -4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.414 -13.673 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.791 -12.739 -4.898 1.00 0.00 H new ATOM 90 N ALA A 6 -11.310 -15.261 -1.720 1.00 0.00 N ATOM 91 CA ALA A 6 -10.301 -15.164 -0.672 1.00 0.00 C ATOM 92 C ALA A 6 -9.186 -14.203 -1.070 1.00 0.00 C ATOM 93 O ALA A 6 -8.741 -13.385 -0.265 1.00 0.00 O ATOM 94 CB ALA A 6 -9.728 -16.540 -0.363 1.00 0.00 C ATOM 0 H ALA A 6 -11.304 -16.143 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.781 -14.771 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.976 -16.453 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.528 -17.200 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.270 -16.953 -1.261 1.00 0.00 H new ATOM 100 N ASN A 7 -8.740 -14.307 -2.318 1.00 0.00 N ATOM 101 CA ASN A 7 -7.677 -13.447 -2.824 1.00 0.00 C ATOM 102 C ASN A 7 -8.088 -11.979 -2.760 1.00 0.00 C ATOM 103 O ASN A 7 -7.335 -11.134 -2.276 1.00 0.00 O ATOM 104 CB ASN A 7 -7.325 -13.828 -4.263 1.00 0.00 C ATOM 105 CG ASN A 7 -6.673 -15.193 -4.356 1.00 0.00 C ATOM 106 OD1 ASN A 7 -7.134 -16.065 -5.092 1.00 0.00 O ATOM 107 ND2 ASN A 7 -5.593 -15.386 -3.607 1.00 0.00 N ATOM 0 H ASN A 7 -9.098 -14.978 -2.997 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.799 -13.588 -2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.230 -13.819 -4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.653 -13.078 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.112 -16.285 -3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.245 -14.635 -3.011 1.00 0.00 H new ATOM 114 N LYS A 8 -9.287 -11.683 -3.252 1.00 0.00 N ATOM 115 CA LYS A 8 -9.799 -10.318 -3.250 1.00 0.00 C ATOM 116 C LYS A 8 -10.033 -9.826 -1.826 1.00 0.00 C ATOM 117 O LYS A 8 -9.896 -8.636 -1.540 1.00 0.00 O ATOM 118 CB LYS A 8 -11.100 -10.238 -4.051 1.00 0.00 C ATOM 119 CG LYS A 8 -11.682 -8.836 -4.126 1.00 0.00 C ATOM 120 CD LYS A 8 -13.001 -8.820 -4.882 1.00 0.00 C ATOM 121 CE LYS A 8 -13.309 -7.439 -5.436 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.242 -6.683 -4.556 1.00 0.00 N ATOM 0 H LYS A 8 -9.922 -12.371 -3.657 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.053 -9.676 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.917 -10.601 -5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.836 -10.904 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.834 -8.450 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.971 -8.172 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.962 -9.540 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.806 -9.135 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.381 -6.878 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.746 -7.536 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.427 -5.747 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.137 -7.206 -4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.815 -6.568 -3.615 1.00 0.00 H new ATOM 136 N ASP A 9 -10.385 -10.749 -0.937 1.00 0.00 N ATOM 137 CA ASP A 9 -10.639 -10.408 0.457 1.00 0.00 C ATOM 138 C ASP A 9 -9.341 -10.062 1.179 1.00 0.00 C ATOM 139 O ASP A 9 -9.330 -9.251 2.106 1.00 0.00 O ATOM 140 CB ASP A 9 -11.337 -11.570 1.168 1.00 0.00 C ATOM 141 CG ASP A 9 -12.848 -11.466 1.100 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.395 -11.493 -0.022 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.484 -11.355 2.170 1.00 0.00 O ATOM 0 H ASP A 9 -10.501 -11.738 -1.157 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.289 -9.533 0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.020 -12.511 0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.024 -11.594 2.212 1.00 0.00 H new ATOM 148 N LEU A 10 -8.246 -10.682 0.749 1.00 0.00 N ATOM 149 CA LEU A 10 -6.943 -10.441 1.352 1.00 0.00 C ATOM 150 C LEU A 10 -6.447 -9.035 1.028 1.00 0.00 C ATOM 151 O LEU A 10 -5.975 -8.314 1.908 1.00 0.00 O ATOM 152 CB LEU A 10 -5.937 -11.483 0.860 1.00 0.00 C ATOM 153 CG LEU A 10 -5.482 -12.492 1.915 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.446 -13.441 1.335 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.926 -11.771 3.134 1.00 0.00 C ATOM 0 H LEU A 10 -8.237 -11.356 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.043 -10.526 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.379 -12.027 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.060 -10.964 0.473 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.346 -13.079 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.134 -14.151 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.879 -13.981 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.581 -12.872 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.607 -12.503 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.074 -11.159 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.699 -11.133 3.563 1.00 0.00 H new ATOM 167 N ILE A 11 -6.554 -8.653 -0.240 1.00 0.00 N ATOM 168 CA ILE A 11 -6.116 -7.334 -0.680 1.00 0.00 C ATOM 169 C ILE A 11 -7.043 -6.244 -0.156 1.00 0.00 C ATOM 170 O ILE A 11 -6.602 -5.139 0.161 1.00 0.00 O ATOM 171 CB ILE A 11 -6.054 -7.245 -2.218 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.272 -8.430 -2.788 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.424 -5.929 -2.648 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.171 -8.416 -4.298 1.00 0.00 C ATOM 0 H ILE A 11 -6.940 -9.238 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.116 -7.182 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.070 -7.283 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.268 -8.430 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.751 -9.357 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.387 -5.882 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.020 -5.099 -2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.412 -5.862 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.604 -9.285 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.171 -8.447 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.665 -7.506 -4.620 1.00 0.00 H new ATOM 186 N SER A 12 -8.331 -6.560 -0.065 1.00 0.00 N ATOM 187 CA SER A 12 -9.322 -5.606 0.421 1.00 0.00 C ATOM 188 C SER A 12 -8.972 -5.127 1.826 1.00 0.00 C ATOM 189 O SER A 12 -9.057 -3.936 2.125 1.00 0.00 O ATOM 190 CB SER A 12 -10.715 -6.238 0.416 1.00 0.00 C ATOM 191 OG SER A 12 -10.755 -7.392 1.238 1.00 0.00 O ATOM 0 H SER A 12 -8.713 -7.470 -0.322 1.00 0.00 H new ATOM 0 HA SER A 12 -9.320 -4.745 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.448 -5.512 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.993 -6.504 -0.604 1.00 0.00 H new ATOM 0 HG SER A 12 -9.848 -7.746 1.349 1.00 0.00 H new ATOM 197 N ALA A 13 -8.577 -6.062 2.684 1.00 0.00 N ATOM 198 CA ALA A 13 -8.212 -5.732 4.056 1.00 0.00 C ATOM 199 C ALA A 13 -7.043 -4.754 4.087 1.00 0.00 C ATOM 200 O ALA A 13 -7.065 -3.767 4.821 1.00 0.00 O ATOM 201 CB ALA A 13 -7.867 -6.994 4.830 1.00 0.00 C ATOM 0 H ALA A 13 -8.502 -7.053 2.453 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.069 -5.254 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.597 -6.731 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.730 -7.660 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.027 -7.497 4.350 1.00 0.00 H new ATOM 207 N GLY A 14 -6.025 -5.034 3.280 1.00 0.00 N ATOM 208 CA GLY A 14 -4.862 -4.169 3.225 1.00 0.00 C ATOM 209 C GLY A 14 -5.173 -2.818 2.609 1.00 0.00 C ATOM 210 O GLY A 14 -4.603 -1.802 3.005 1.00 0.00 O ATOM 0 H GLY A 14 -5.985 -5.845 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.472 -4.024 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.077 -4.657 2.647 1.00 0.00 H new ATOM 214 N LEU A 15 -6.080 -2.810 1.637 1.00 0.00 N ATOM 215 CA LEU A 15 -6.466 -1.576 0.961 1.00 0.00 C ATOM 216 C LEU A 15 -7.005 -0.553 1.958 1.00 0.00 C ATOM 217 O LEU A 15 -6.588 0.605 1.961 1.00 0.00 O ATOM 218 CB LEU A 15 -7.517 -1.867 -0.113 1.00 0.00 C ATOM 219 CG LEU A 15 -7.155 -1.386 -1.519 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.236 -1.781 -2.513 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.946 0.121 -1.527 1.00 0.00 C ATOM 0 H LEU A 15 -6.561 -3.644 1.300 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.579 -1.157 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.692 -2.942 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.456 -1.401 0.184 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.223 -1.865 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.961 -1.430 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.339 -2.866 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.184 -1.330 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.689 0.447 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.862 0.617 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.137 0.380 -0.844 1.00 0.00 H new ATOM 233 N LYS A 16 -7.934 -0.990 2.802 1.00 0.00 N ATOM 234 CA LYS A 16 -8.530 -0.112 3.803 1.00 0.00 C ATOM 235 C LYS A 16 -7.485 0.355 4.809 1.00 0.00 C ATOM 236 O LYS A 16 -7.506 1.503 5.253 1.00 0.00 O ATOM 237 CB LYS A 16 -9.670 -0.831 4.529 1.00 0.00 C ATOM 238 CG LYS A 16 -9.250 -2.145 5.167 1.00 0.00 C ATOM 239 CD LYS A 16 -10.320 -2.672 6.110 1.00 0.00 C ATOM 240 CE LYS A 16 -10.082 -2.207 7.538 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.945 -2.934 8.510 1.00 0.00 N ATOM 0 H LYS A 16 -8.290 -1.946 2.813 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.930 0.763 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.070 -0.173 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.477 -1.021 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.054 -2.883 4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.318 -2.004 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.301 -2.334 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.330 -3.761 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.035 -2.358 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.277 -1.137 7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.752 -2.588 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.945 -2.770 8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.741 -3.953 8.461 1.00 0.00 H new ATOM 255 N GLU A 17 -6.571 -0.542 5.167 1.00 0.00 N ATOM 256 CA GLU A 17 -5.517 -0.219 6.121 1.00 0.00 C ATOM 257 C GLU A 17 -4.651 0.928 5.609 1.00 0.00 C ATOM 258 O GLU A 17 -4.160 1.743 6.389 1.00 0.00 O ATOM 259 CB GLU A 17 -4.649 -1.451 6.389 1.00 0.00 C ATOM 260 CG GLU A 17 -5.084 -2.246 7.610 1.00 0.00 C ATOM 261 CD GLU A 17 -5.801 -3.531 7.246 1.00 0.00 C ATOM 262 OE1 GLU A 17 -5.123 -4.490 6.821 1.00 0.00 O ATOM 263 OE2 GLU A 17 -7.042 -3.578 7.383 1.00 0.00 O ATOM 0 H GLU A 17 -6.540 -1.497 4.811 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.988 0.095 7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.675 -2.101 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.614 -1.135 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.209 -2.482 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.740 -1.630 8.225 1.00 0.00 H new ATOM 270 N PHE A 18 -4.469 0.982 4.294 1.00 0.00 N ATOM 271 CA PHE A 18 -3.662 2.030 3.678 1.00 0.00 C ATOM 272 C PHE A 18 -4.393 3.368 3.707 1.00 0.00 C ATOM 273 O PHE A 18 -3.836 4.382 4.126 1.00 0.00 O ATOM 274 CB PHE A 18 -3.317 1.655 2.236 1.00 0.00 C ATOM 275 CG PHE A 18 -1.933 2.065 1.823 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.831 1.317 2.207 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.733 3.199 1.051 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.444 1.692 1.828 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.460 3.578 0.670 1.00 0.00 C ATOM 280 CZ PHE A 18 0.630 2.825 1.059 1.00 0.00 C ATOM 0 H PHE A 18 -4.868 0.314 3.635 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.740 2.128 4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.418 0.576 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.040 2.120 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.970 0.431 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.581 3.793 0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.294 1.100 2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.318 4.463 0.068 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.626 3.121 0.763 1.00 0.00 H new ATOM 290 N SER A 19 -5.645 3.363 3.259 1.00 0.00 N ATOM 291 CA SER A 19 -6.453 4.577 3.233 1.00 0.00 C ATOM 292 C SER A 19 -6.629 5.142 4.639 1.00 0.00 C ATOM 293 O SER A 19 -6.402 6.329 4.874 1.00 0.00 O ATOM 294 CB SER A 19 -7.820 4.290 2.611 1.00 0.00 C ATOM 295 OG SER A 19 -8.273 5.393 1.844 1.00 0.00 O ATOM 0 H SER A 19 -6.122 2.532 2.909 1.00 0.00 H new ATOM 0 HA SER A 19 -5.934 5.318 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.757 3.405 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.542 4.069 3.397 1.00 0.00 H new ATOM 0 HG SER A 19 -9.148 5.184 1.456 1.00 0.00 H new ATOM 301 N VAL A 20 -7.036 4.285 5.570 1.00 0.00 N ATOM 302 CA VAL A 20 -7.243 4.700 6.952 1.00 0.00 C ATOM 303 C VAL A 20 -5.958 5.253 7.556 1.00 0.00 C ATOM 304 O VAL A 20 -5.961 6.301 8.204 1.00 0.00 O ATOM 305 CB VAL A 20 -7.752 3.528 7.818 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.664 2.483 8.028 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.277 4.037 9.152 1.00 0.00 C ATOM 0 H VAL A 20 -7.229 3.299 5.392 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.999 5.485 6.941 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.573 3.049 7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.053 1.671 8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.347 2.089 7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.812 2.941 8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.631 3.196 9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.477 4.549 9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.100 4.731 8.978 1.00 0.00 H new ATOM 317 N LEU A 21 -4.861 4.539 7.337 1.00 0.00 N ATOM 318 CA LEU A 21 -3.561 4.949 7.856 1.00 0.00 C ATOM 319 C LEU A 21 -3.182 6.336 7.343 1.00 0.00 C ATOM 320 O LEU A 21 -2.568 7.126 8.059 1.00 0.00 O ATOM 321 CB LEU A 21 -2.487 3.935 7.457 1.00 0.00 C ATOM 322 CG LEU A 21 -1.103 4.188 8.057 1.00 0.00 C ATOM 323 CD1 LEU A 21 -0.982 3.522 9.419 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.017 3.686 7.118 1.00 0.00 C ATOM 0 H LEU A 21 -4.845 3.671 6.802 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.628 4.989 8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.819 2.941 7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.400 3.930 6.371 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.975 5.262 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.009 3.713 9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.738 3.928 10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.130 2.447 9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.962 3.874 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.143 2.615 6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.091 4.209 6.164 1.00 0.00 H new ATOM 336 N LEU A 22 -3.553 6.623 6.100 1.00 0.00 N ATOM 337 CA LEU A 22 -3.252 7.914 5.492 1.00 0.00 C ATOM 338 C LEU A 22 -4.051 9.030 6.157 1.00 0.00 C ATOM 339 O LEU A 22 -3.600 10.173 6.227 1.00 0.00 O ATOM 340 CB LEU A 22 -3.555 7.878 3.992 1.00 0.00 C ATOM 341 CG LEU A 22 -2.658 6.948 3.173 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.382 6.475 1.922 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.360 7.651 2.805 1.00 0.00 C ATOM 0 H LEU A 22 -4.062 5.980 5.494 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.191 8.116 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.592 7.573 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.464 8.889 3.594 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.418 6.076 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.729 5.814 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.285 5.935 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.651 7.336 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.733 6.976 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.582 8.540 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.833 7.942 3.714 1.00 0.00 H new ATOM 355 N ASN A 23 -5.239 8.690 6.646 1.00 0.00 N ATOM 356 CA ASN A 23 -6.101 9.663 7.306 1.00 0.00 C ATOM 357 C ASN A 23 -5.408 10.272 8.522 1.00 0.00 C ATOM 358 O ASN A 23 -5.680 11.412 8.898 1.00 0.00 O ATOM 359 CB ASN A 23 -7.416 9.005 7.732 1.00 0.00 C ATOM 360 CG ASN A 23 -8.604 9.933 7.573 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.036 10.222 6.457 1.00 0.00 O ATOM 362 ND2 ASN A 23 -9.140 10.405 8.692 1.00 0.00 N ATOM 0 H ASN A 23 -5.627 7.748 6.598 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.314 10.461 6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.579 8.106 7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.341 8.690 8.773 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.942 11.033 8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.750 10.139 9.596 1.00 0.00 H new ATOM 369 N GLN A 24 -4.511 9.504 9.134 1.00 0.00 N ATOM 370 CA GLN A 24 -3.781 9.969 10.307 1.00 0.00 C ATOM 371 C GLN A 24 -2.929 11.188 9.970 1.00 0.00 C ATOM 372 O GLN A 24 -2.696 12.049 10.819 1.00 0.00 O ATOM 373 CB GLN A 24 -2.894 8.850 10.857 1.00 0.00 C ATOM 374 CG GLN A 24 -3.670 7.757 11.574 1.00 0.00 C ATOM 375 CD GLN A 24 -2.882 6.467 11.695 1.00 0.00 C ATOM 376 OE1 GLN A 24 -2.160 6.080 10.777 1.00 0.00 O ATOM 377 NE2 GLN A 24 -3.021 5.794 12.831 1.00 0.00 N ATOM 0 H GLN A 24 -4.273 8.558 8.837 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.508 10.255 11.067 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.332 8.406 10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.166 9.279 11.546 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.945 8.105 12.570 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.598 7.563 11.036 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.631 6.153 13.565 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.518 4.918 12.969 1.00 0.00 H new ATOM 386 N GLN A 25 -2.465 11.257 8.727 1.00 0.00 N ATOM 387 CA GLN A 25 -1.639 12.373 8.279 1.00 0.00 C ATOM 388 C GLN A 25 -2.386 13.695 8.419 1.00 0.00 C ATOM 389 O GLN A 25 -3.561 13.795 8.068 1.00 0.00 O ATOM 390 CB GLN A 25 -1.212 12.167 6.824 1.00 0.00 C ATOM 391 CG GLN A 25 -0.117 11.126 6.653 1.00 0.00 C ATOM 392 CD GLN A 25 1.251 11.651 7.044 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.791 12.550 6.401 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.820 11.087 8.103 1.00 0.00 N ATOM 0 H GLN A 25 -2.647 10.553 8.011 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.751 12.410 8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.081 11.868 6.238 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.865 13.117 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.354 10.252 7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.093 10.796 5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.336 10.344 8.607 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.741 11.397 8.412 1.00 0.00 H new ATOM 403 N VAL A 26 -1.696 14.706 8.936 1.00 0.00 N ATOM 404 CA VAL A 26 -2.295 16.022 9.123 1.00 0.00 C ATOM 405 C VAL A 26 -1.768 17.017 8.094 1.00 0.00 C ATOM 406 O VAL A 26 -2.483 17.926 7.671 1.00 0.00 O ATOM 407 CB VAL A 26 -2.020 16.569 10.536 1.00 0.00 C ATOM 408 CG1 VAL A 26 -2.814 17.842 10.781 1.00 0.00 C ATOM 409 CG2 VAL A 26 -2.345 15.519 11.588 1.00 0.00 C ATOM 0 H VAL A 26 -0.722 14.639 9.233 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.370 15.901 8.991 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.960 16.810 10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.606 18.213 11.785 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.527 18.596 10.049 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.879 17.631 10.686 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.144 15.924 12.580 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.397 15.244 11.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.727 14.636 11.424 1.00 0.00 H new ATOM 419 N PHE A 27 -0.513 16.839 7.695 1.00 0.00 N ATOM 420 CA PHE A 27 0.111 17.720 6.715 1.00 0.00 C ATOM 421 C PHE A 27 0.160 19.156 7.228 1.00 0.00 C ATOM 422 O PHE A 27 -0.768 19.935 7.015 1.00 0.00 O ATOM 423 CB PHE A 27 -0.654 17.667 5.390 1.00 0.00 C ATOM 424 CG PHE A 27 -0.977 16.271 4.939 1.00 0.00 C ATOM 425 CD1 PHE A 27 -2.149 15.651 5.345 1.00 0.00 C ATOM 426 CD2 PHE A 27 -0.111 15.580 4.109 1.00 0.00 C ATOM 427 CE1 PHE A 27 -2.449 14.368 4.933 1.00 0.00 C ATOM 428 CE2 PHE A 27 -0.405 14.295 3.693 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.576 13.688 4.105 1.00 0.00 C ATOM 0 H PHE A 27 0.092 16.092 8.036 1.00 0.00 H new ATOM 0 HA PHE A 27 1.132 17.375 6.552 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.581 18.231 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.064 18.162 4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.835 16.178 5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.805 16.050 3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.365 13.896 5.257 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.280 13.766 3.047 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.809 12.684 3.781 1.00 0.00 H new ATOM 439 N ASN A 28 1.251 19.498 7.906 1.00 0.00 N ATOM 440 CA ASN A 28 1.422 20.842 8.449 1.00 0.00 C ATOM 441 C ASN A 28 2.812 21.018 9.055 1.00 0.00 C ATOM 442 O ASN A 28 3.427 22.075 8.920 1.00 0.00 O ATOM 443 CB ASN A 28 0.354 21.125 9.506 1.00 0.00 C ATOM 444 CG ASN A 28 0.330 20.076 10.602 1.00 0.00 C ATOM 445 OD1 ASN A 28 0.769 18.944 10.402 1.00 0.00 O ATOM 446 ND2 ASN A 28 -0.183 20.450 11.767 1.00 0.00 N ATOM 0 H ASN A 28 2.029 18.865 8.093 1.00 0.00 H new ATOM 0 HA ASN A 28 1.313 21.552 7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.536 22.104 9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.624 21.168 9.027 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.225 19.788 12.542 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.535 21.400 11.888 1.00 0.00 H new ATOM 453 N ASP A 29 3.299 19.978 9.725 1.00 0.00 N ATOM 454 CA ASP A 29 4.615 20.023 10.354 1.00 0.00 C ATOM 455 C ASP A 29 5.486 18.875 9.915 1.00 0.00 C ATOM 456 O ASP A 29 6.133 18.229 10.740 1.00 0.00 O ATOM 457 CB ASP A 29 4.481 20.038 11.878 1.00 0.00 C ATOM 458 CG ASP A 29 4.242 21.432 12.423 1.00 0.00 C ATOM 459 OD1 ASP A 29 4.659 22.407 11.764 1.00 0.00 O ATOM 460 OD2 ASP A 29 3.638 21.548 13.511 1.00 0.00 O ATOM 0 H ASP A 29 2.803 19.095 9.846 1.00 0.00 H new ATOM 0 HA ASP A 29 5.099 20.945 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.657 19.389 12.174 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.387 19.627 12.324 1.00 0.00 H new ATOM 465 N PRO A 30 5.567 18.621 8.603 1.00 0.00 N ATOM 466 CA PRO A 30 6.423 17.573 8.117 1.00 0.00 C ATOM 467 C PRO A 30 7.856 18.067 8.051 1.00 0.00 C ATOM 468 O PRO A 30 8.169 19.033 7.355 1.00 0.00 O ATOM 469 CB PRO A 30 5.875 17.305 6.718 1.00 0.00 C ATOM 470 CG PRO A 30 5.351 18.627 6.268 1.00 0.00 C ATOM 471 CD PRO A 30 4.889 19.347 7.511 1.00 0.00 C ATOM 0 HA PRO A 30 6.433 16.683 8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.653 16.937 6.050 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.088 16.551 6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.125 19.197 5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.528 18.500 5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.171 20.400 7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.805 19.309 7.617 1.00 0.00 H new ATOM 479 N LEU A 31 8.712 17.391 8.781 1.00 0.00 N ATOM 480 CA LEU A 31 10.128 17.732 8.832 1.00 0.00 C ATOM 481 C LEU A 31 10.919 16.930 7.804 1.00 0.00 C ATOM 482 O LEU A 31 11.928 17.400 7.278 1.00 0.00 O ATOM 483 CB LEU A 31 10.685 17.478 10.234 1.00 0.00 C ATOM 484 CG LEU A 31 10.595 18.666 11.193 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.513 19.789 10.737 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.160 19.157 11.298 1.00 0.00 C ATOM 0 H LEU A 31 8.455 16.590 9.358 1.00 0.00 H new ATOM 0 HA LEU A 31 10.230 18.791 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.151 16.635 10.673 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.730 17.181 10.145 1.00 0.00 H new ATOM 0 HG LEU A 31 10.919 18.338 12.181 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.436 20.626 11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.542 19.431 10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.220 20.116 9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.114 20.003 11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.809 19.469 10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.526 18.352 11.671 1.00 0.00 H new ATOM 498 N VAL A 32 10.454 15.717 7.521 1.00 0.00 N ATOM 499 CA VAL A 32 11.118 14.851 6.556 1.00 0.00 C ATOM 500 C VAL A 32 10.995 15.407 5.141 1.00 0.00 C ATOM 501 O VAL A 32 9.952 15.939 4.761 1.00 0.00 O ATOM 502 CB VAL A 32 10.535 13.425 6.586 1.00 0.00 C ATOM 503 CG1 VAL A 32 11.367 12.489 5.723 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.454 12.913 8.016 1.00 0.00 C ATOM 0 H VAL A 32 9.620 15.313 7.947 1.00 0.00 H new ATOM 0 HA VAL A 32 12.170 14.812 6.839 1.00 0.00 H new ATOM 0 HB VAL A 32 9.525 13.456 6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.940 11.487 5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.369 12.848 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.390 12.460 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.040 11.905 8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.452 12.897 8.454 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.812 13.570 8.602 1.00 0.00 H new ATOM 514 N SER A 33 12.066 15.280 4.366 1.00 0.00 N ATOM 515 CA SER A 33 12.078 15.771 2.993 1.00 0.00 C ATOM 516 C SER A 33 11.154 14.938 2.109 1.00 0.00 C ATOM 517 O SER A 33 10.646 13.900 2.530 1.00 0.00 O ATOM 518 CB SER A 33 13.501 15.742 2.431 1.00 0.00 C ATOM 519 OG SER A 33 13.618 16.580 1.294 1.00 0.00 O ATOM 0 H SER A 33 12.937 14.841 4.665 1.00 0.00 H new ATOM 0 HA SER A 33 11.717 16.800 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.205 16.065 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.768 14.720 2.162 1.00 0.00 H new ATOM 0 HG SER A 33 14.537 16.545 0.955 1.00 0.00 H new ATOM 525 N GLU A 34 10.940 15.403 0.883 1.00 0.00 N ATOM 526 CA GLU A 34 10.077 14.702 -0.061 1.00 0.00 C ATOM 527 C GLU A 34 10.711 13.389 -0.507 1.00 0.00 C ATOM 528 O GLU A 34 10.013 12.417 -0.793 1.00 0.00 O ATOM 529 CB GLU A 34 9.793 15.584 -1.278 1.00 0.00 C ATOM 530 CG GLU A 34 11.049 16.064 -1.987 1.00 0.00 C ATOM 531 CD GLU A 34 11.457 17.463 -1.569 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.766 17.659 -0.376 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.468 18.363 -2.436 1.00 0.00 O ATOM 0 H GLU A 34 11.352 16.262 0.520 1.00 0.00 H new ATOM 0 HA GLU A 34 9.137 14.478 0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.177 15.027 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.211 16.450 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.866 15.374 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.883 16.045 -3.064 1.00 0.00 H new ATOM 540 N GLU A 35 12.039 13.368 -0.563 1.00 0.00 N ATOM 541 CA GLU A 35 12.768 12.174 -0.974 1.00 0.00 C ATOM 542 C GLU A 35 12.687 11.091 0.097 1.00 0.00 C ATOM 543 O GLU A 35 12.397 9.932 -0.199 1.00 0.00 O ATOM 544 CB GLU A 35 14.231 12.517 -1.259 1.00 0.00 C ATOM 545 CG GLU A 35 14.469 13.048 -2.662 1.00 0.00 C ATOM 546 CD GLU A 35 15.925 12.967 -3.078 1.00 0.00 C ATOM 547 OE1 GLU A 35 16.385 11.855 -3.414 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.605 14.014 -3.066 1.00 0.00 O ATOM 0 H GLU A 35 12.632 14.164 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 35 12.307 11.793 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.569 13.260 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.840 11.626 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.861 12.482 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.137 14.085 -2.715 1.00 0.00 H new ATOM 555 N ASP A 36 12.943 11.477 1.342 1.00 0.00 N ATOM 556 CA ASP A 36 12.898 10.538 2.458 1.00 0.00 C ATOM 557 C ASP A 36 11.510 9.934 2.611 1.00 0.00 C ATOM 558 O ASP A 36 11.353 8.825 3.121 1.00 0.00 O ATOM 559 CB ASP A 36 13.316 11.232 3.757 1.00 0.00 C ATOM 560 CG ASP A 36 14.806 11.130 4.012 1.00 0.00 C ATOM 561 OD1 ASP A 36 15.263 10.051 4.446 1.00 0.00 O ATOM 562 OD2 ASP A 36 15.518 12.130 3.778 1.00 0.00 O ATOM 0 H ASP A 36 13.184 12.433 1.604 1.00 0.00 H new ATOM 0 HA ASP A 36 13.599 9.731 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.029 12.283 3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.776 10.788 4.593 1.00 0.00 H new ATOM 567 N MET A 37 10.510 10.675 2.165 1.00 0.00 N ATOM 568 CA MET A 37 9.125 10.227 2.244 1.00 0.00 C ATOM 569 C MET A 37 8.847 9.136 1.216 1.00 0.00 C ATOM 570 O MET A 37 8.018 8.253 1.441 1.00 0.00 O ATOM 571 CB MET A 37 8.174 11.404 2.026 1.00 0.00 C ATOM 572 CG MET A 37 6.712 11.057 2.259 1.00 0.00 C ATOM 573 SD MET A 37 6.137 11.538 3.898 1.00 0.00 S ATOM 574 CE MET A 37 6.305 13.318 3.807 1.00 0.00 C ATOM 0 H MET A 37 10.630 11.595 1.742 1.00 0.00 H new ATOM 0 HA MET A 37 8.959 9.814 3.239 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.457 12.217 2.694 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.293 11.773 1.007 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.101 11.551 1.504 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.572 9.984 2.130 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.921 13.767 4.723 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.357 13.579 3.689 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.740 13.694 2.954 1.00 0.00 H new ATOM 584 N VAL A 38 9.545 9.201 0.086 1.00 0.00 N ATOM 585 CA VAL A 38 9.373 8.219 -0.976 1.00 0.00 C ATOM 586 C VAL A 38 9.809 6.831 -0.518 1.00 0.00 C ATOM 587 O VAL A 38 9.097 5.848 -0.718 1.00 0.00 O ATOM 588 CB VAL A 38 10.172 8.606 -2.235 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.818 7.688 -3.396 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.922 10.061 -2.600 1.00 0.00 C ATOM 0 H VAL A 38 10.235 9.924 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 38 8.311 8.201 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 38 11.234 8.487 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.392 7.977 -4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.055 6.658 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.753 7.771 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.495 10.316 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.860 10.210 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.232 10.702 -1.774 1.00 0.00 H new ATOM 600 N THR A 39 10.985 6.760 0.097 1.00 0.00 N ATOM 601 CA THR A 39 11.517 5.492 0.584 1.00 0.00 C ATOM 602 C THR A 39 10.581 4.872 1.616 1.00 0.00 C ATOM 603 O THR A 39 10.441 3.650 1.687 1.00 0.00 O ATOM 604 CB THR A 39 12.904 5.699 1.194 1.00 0.00 C ATOM 605 OG1 THR A 39 13.405 4.484 1.723 1.00 0.00 O ATOM 606 CG2 THR A 39 12.921 6.724 2.307 1.00 0.00 C ATOM 0 H THR A 39 11.587 7.565 0.270 1.00 0.00 H new ATOM 0 HA THR A 39 11.599 4.810 -0.262 1.00 0.00 H new ATOM 0 HB THR A 39 13.528 6.062 0.377 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.294 4.636 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.935 6.822 2.696 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.586 7.686 1.920 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.255 6.403 3.108 1.00 0.00 H new ATOM 614 N VAL A 40 9.944 5.720 2.416 1.00 0.00 N ATOM 615 CA VAL A 40 9.022 5.255 3.445 1.00 0.00 C ATOM 616 C VAL A 40 7.815 4.559 2.824 1.00 0.00 C ATOM 617 O VAL A 40 7.368 3.519 3.308 1.00 0.00 O ATOM 618 CB VAL A 40 8.532 6.417 4.329 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.698 5.895 5.488 1.00 0.00 C ATOM 620 CG2 VAL A 40 9.709 7.236 4.838 1.00 0.00 C ATOM 0 H VAL A 40 10.049 6.734 2.371 1.00 0.00 H new ATOM 0 HA VAL A 40 9.570 4.545 4.065 1.00 0.00 H new ATOM 0 HB VAL A 40 7.901 7.067 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.362 6.732 6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.832 5.358 5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.301 5.220 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.342 8.052 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.368 6.598 5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.261 7.645 3.992 1.00 0.00 H new ATOM 630 N VAL A 41 7.291 5.140 1.750 1.00 0.00 N ATOM 631 CA VAL A 41 6.135 4.576 1.064 1.00 0.00 C ATOM 632 C VAL A 41 6.460 3.203 0.481 1.00 0.00 C ATOM 633 O VAL A 41 5.636 2.290 0.521 1.00 0.00 O ATOM 634 CB VAL A 41 5.646 5.499 -0.069 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.350 4.974 -0.668 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.467 6.922 0.441 1.00 0.00 C ATOM 0 H VAL A 41 7.649 6.001 1.336 1.00 0.00 H new ATOM 0 HA VAL A 41 5.344 4.477 1.807 1.00 0.00 H new ATOM 0 HB VAL A 41 6.403 5.510 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.022 5.640 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.515 3.976 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.583 4.930 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.121 7.559 -0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.732 6.930 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.419 7.297 0.816 1.00 0.00 H new ATOM 646 N GLU A 42 7.667 3.067 -0.059 1.00 0.00 N ATOM 647 CA GLU A 42 8.100 1.806 -0.649 1.00 0.00 C ATOM 648 C GLU A 42 8.334 0.753 0.430 1.00 0.00 C ATOM 649 O GLU A 42 7.838 -0.369 0.334 1.00 0.00 O ATOM 650 CB GLU A 42 9.380 2.013 -1.461 1.00 0.00 C ATOM 651 CG GLU A 42 9.211 2.971 -2.629 1.00 0.00 C ATOM 652 CD GLU A 42 9.933 2.503 -3.877 1.00 0.00 C ATOM 653 OE1 GLU A 42 11.111 2.102 -3.765 1.00 0.00 O ATOM 654 OE2 GLU A 42 9.322 2.538 -4.965 1.00 0.00 O ATOM 0 H GLU A 42 8.361 3.813 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 42 7.310 1.453 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.161 2.391 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.721 1.049 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.150 3.086 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.585 3.954 -2.344 1.00 0.00 H new ATOM 661 N ASP A 43 9.092 1.123 1.456 1.00 0.00 N ATOM 662 CA ASP A 43 9.392 0.211 2.554 1.00 0.00 C ATOM 663 C ASP A 43 8.129 -0.125 3.340 1.00 0.00 C ATOM 664 O ASP A 43 7.995 -1.224 3.879 1.00 0.00 O ATOM 665 CB ASP A 43 10.438 0.826 3.486 1.00 0.00 C ATOM 666 CG ASP A 43 11.312 -0.221 4.146 1.00 0.00 C ATOM 667 OD1 ASP A 43 12.016 -0.951 3.418 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.292 -0.312 5.392 1.00 0.00 O ATOM 0 H ASP A 43 9.510 2.048 1.551 1.00 0.00 H new ATOM 0 HA ASP A 43 9.792 -0.710 2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.065 1.514 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.935 1.413 4.255 1.00 0.00 H new ATOM 673 N TRP A 44 7.204 0.828 3.401 1.00 0.00 N ATOM 674 CA TRP A 44 5.951 0.632 4.121 1.00 0.00 C ATOM 675 C TRP A 44 5.167 -0.539 3.537 1.00 0.00 C ATOM 676 O TRP A 44 4.722 -1.425 4.267 1.00 0.00 O ATOM 677 CB TRP A 44 5.104 1.906 4.068 1.00 0.00 C ATOM 678 CG TRP A 44 5.272 2.783 5.272 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.334 2.806 6.129 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.345 3.763 5.753 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.126 3.741 7.114 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.913 4.342 6.905 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.093 4.208 5.322 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.268 5.343 7.628 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.455 5.202 6.042 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.044 5.760 7.184 1.00 0.00 C ATOM 0 H TRP A 44 7.299 1.743 2.961 1.00 0.00 H new ATOM 0 HA TRP A 44 6.188 0.405 5.160 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.369 2.473 3.175 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.054 1.631 3.971 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.210 2.180 6.045 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.770 3.953 7.876 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.632 3.784 4.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.719 5.775 8.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.487 5.554 5.718 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.521 6.535 7.724 1.00 0.00 H new ATOM 697 N MET A 45 5.001 -0.536 2.218 1.00 0.00 N ATOM 698 CA MET A 45 4.270 -1.598 1.538 1.00 0.00 C ATOM 699 C MET A 45 5.016 -2.924 1.640 1.00 0.00 C ATOM 700 O MET A 45 4.406 -3.980 1.801 1.00 0.00 O ATOM 701 CB MET A 45 4.053 -1.234 0.067 1.00 0.00 C ATOM 702 CG MET A 45 5.339 -0.904 -0.674 1.00 0.00 C ATOM 703 SD MET A 45 5.104 -0.799 -2.458 1.00 0.00 S ATOM 704 CE MET A 45 3.843 0.469 -2.560 1.00 0.00 C ATOM 0 H MET A 45 5.363 0.190 1.600 1.00 0.00 H new ATOM 0 HA MET A 45 3.301 -1.708 2.026 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.557 -2.065 -0.435 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.380 -0.379 0.008 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.733 0.044 -0.307 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.087 -1.666 -0.454 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.064 0.153 -3.254 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.407 0.629 -1.574 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.289 1.398 -2.915 1.00 0.00 H new ATOM 714 N ASN A 46 6.341 -2.861 1.545 1.00 0.00 N ATOM 715 CA ASN A 46 7.171 -4.058 1.627 1.00 0.00 C ATOM 716 C ASN A 46 6.955 -4.781 2.952 1.00 0.00 C ATOM 717 O ASN A 46 7.033 -6.009 3.021 1.00 0.00 O ATOM 718 CB ASN A 46 8.648 -3.690 1.468 1.00 0.00 C ATOM 719 CG ASN A 46 9.419 -4.727 0.676 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.016 -5.887 0.589 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.537 -4.313 0.090 1.00 0.00 N ATOM 0 H ASN A 46 6.862 -1.995 1.411 1.00 0.00 H new ATOM 0 HA ASN A 46 6.880 -4.728 0.818 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.727 -2.724 0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.100 -3.579 2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.098 -4.966 -0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.835 -3.342 0.188 1.00 0.00 H new ATOM 728 N PHE A 47 6.684 -4.014 4.002 1.00 0.00 N ATOM 729 CA PHE A 47 6.456 -4.583 5.326 1.00 0.00 C ATOM 730 C PHE A 47 5.099 -5.272 5.396 1.00 0.00 C ATOM 731 O PHE A 47 4.961 -6.334 6.004 1.00 0.00 O ATOM 732 CB PHE A 47 6.544 -3.491 6.395 1.00 0.00 C ATOM 733 CG PHE A 47 7.195 -3.949 7.668 1.00 0.00 C ATOM 734 CD1 PHE A 47 6.450 -4.569 8.658 1.00 0.00 C ATOM 735 CD2 PHE A 47 8.552 -3.759 7.876 1.00 0.00 C ATOM 736 CE1 PHE A 47 7.047 -4.992 9.831 1.00 0.00 C ATOM 737 CE2 PHE A 47 9.154 -4.178 9.046 1.00 0.00 C ATOM 738 CZ PHE A 47 8.400 -4.796 10.026 1.00 0.00 C ATOM 0 H PHE A 47 6.617 -2.997 3.963 1.00 0.00 H new ATOM 0 HA PHE A 47 7.230 -5.327 5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.103 -2.646 5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.540 -3.131 6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.391 -4.724 8.512 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.146 -3.277 7.114 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.456 -5.475 10.594 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.212 -4.023 9.195 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.868 -5.125 10.942 1.00 0.00 H new ATOM 748 N TYR A 48 4.097 -4.662 4.771 1.00 0.00 N ATOM 749 CA TYR A 48 2.748 -5.218 4.763 1.00 0.00 C ATOM 750 C TYR A 48 2.696 -6.507 3.949 1.00 0.00 C ATOM 751 O TYR A 48 2.040 -7.473 4.339 1.00 0.00 O ATOM 752 CB TYR A 48 1.759 -4.200 4.193 1.00 0.00 C ATOM 753 CG TYR A 48 1.512 -3.019 5.104 1.00 0.00 C ATOM 754 CD1 TYR A 48 0.810 -3.170 6.294 1.00 0.00 C ATOM 755 CD2 TYR A 48 1.980 -1.754 4.775 1.00 0.00 C ATOM 756 CE1 TYR A 48 0.583 -2.093 7.130 1.00 0.00 C ATOM 757 CE2 TYR A 48 1.757 -0.672 5.605 1.00 0.00 C ATOM 758 CZ TYR A 48 1.058 -0.846 6.781 1.00 0.00 C ATOM 759 OH TYR A 48 0.834 0.228 7.610 1.00 0.00 O ATOM 0 H TYR A 48 4.193 -3.783 4.263 1.00 0.00 H new ATOM 0 HA TYR A 48 2.470 -5.448 5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.135 -3.838 3.236 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.811 -4.699 3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.436 -4.145 6.570 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.528 -1.613 3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.036 -2.227 8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.128 0.305 5.334 1.00 0.00 H new ATOM 0 HH TYR A 48 1.424 0.968 7.354 1.00 0.00 H new ATOM 769 N ILE A 49 3.392 -6.516 2.817 1.00 0.00 N ATOM 770 CA ILE A 49 3.426 -7.686 1.950 1.00 0.00 C ATOM 771 C ILE A 49 4.065 -8.876 2.659 1.00 0.00 C ATOM 772 O ILE A 49 3.652 -10.020 2.468 1.00 0.00 O ATOM 773 CB ILE A 49 4.199 -7.398 0.647 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.636 -6.154 -0.041 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.140 -8.600 -0.287 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.679 -5.351 -0.788 1.00 0.00 C ATOM 0 H ILE A 49 3.940 -5.725 2.479 1.00 0.00 H new ATOM 0 HA ILE A 49 2.392 -7.928 1.702 1.00 0.00 H new ATOM 0 HB ILE A 49 5.243 -7.212 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.855 -6.457 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.166 -5.516 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.691 -8.378 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.586 -9.465 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.101 -8.818 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.208 -4.484 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.449 -5.018 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.133 -5.973 -1.560 1.00 0.00 H new ATOM 788 N ASN A 50 5.074 -8.598 3.477 1.00 0.00 N ATOM 789 CA ASN A 50 5.770 -9.646 4.215 1.00 0.00 C ATOM 790 C ASN A 50 4.838 -10.314 5.221 1.00 0.00 C ATOM 791 O ASN A 50 4.969 -11.503 5.510 1.00 0.00 O ATOM 792 CB ASN A 50 6.988 -9.067 4.937 1.00 0.00 C ATOM 793 CG ASN A 50 8.165 -10.023 4.942 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.289 -10.877 4.064 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.037 -9.883 5.934 1.00 0.00 N ATOM 0 H ASN A 50 5.428 -7.657 3.646 1.00 0.00 H new ATOM 0 HA ASN A 50 6.103 -10.399 3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.283 -8.134 4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.716 -8.824 5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.849 -10.497 5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.894 -9.161 6.640 1.00 0.00 H new ATOM 802 N TYR A 51 3.896 -9.541 5.750 1.00 0.00 N ATOM 803 CA TYR A 51 2.941 -10.058 6.725 1.00 0.00 C ATOM 804 C TYR A 51 1.888 -10.929 6.047 1.00 0.00 C ATOM 805 O TYR A 51 1.659 -12.069 6.451 1.00 0.00 O ATOM 806 CB TYR A 51 2.264 -8.904 7.467 1.00 0.00 C ATOM 807 CG TYR A 51 2.016 -9.189 8.931 1.00 0.00 C ATOM 808 CD1 TYR A 51 1.178 -10.225 9.325 1.00 0.00 C ATOM 809 CD2 TYR A 51 2.619 -8.421 9.920 1.00 0.00 C ATOM 810 CE1 TYR A 51 0.948 -10.488 10.661 1.00 0.00 C ATOM 811 CE2 TYR A 51 2.394 -8.679 11.259 1.00 0.00 C ATOM 812 CZ TYR A 51 1.559 -9.713 11.624 1.00 0.00 C ATOM 813 OH TYR A 51 1.332 -9.972 12.956 1.00 0.00 O ATOM 0 H TYR A 51 3.773 -8.555 5.521 1.00 0.00 H new ATOM 0 HA TYR A 51 3.487 -10.672 7.441 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.885 -8.012 7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.314 -8.680 6.983 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.698 -10.835 8.574 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.274 -7.610 9.638 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.293 -11.297 10.950 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.870 -8.073 12.016 1.00 0.00 H new ATOM 0 HH TYR A 51 1.838 -9.336 13.504 1.00 0.00 H new ATOM 823 N TYR A 52 1.250 -10.385 5.016 1.00 0.00 N ATOM 824 CA TYR A 52 0.221 -11.112 4.282 1.00 0.00 C ATOM 825 C TYR A 52 0.784 -12.398 3.684 1.00 0.00 C ATOM 826 O TYR A 52 0.162 -13.456 3.768 1.00 0.00 O ATOM 827 CB TYR A 52 -0.364 -10.233 3.175 1.00 0.00 C ATOM 828 CG TYR A 52 -1.533 -9.388 3.627 1.00 0.00 C ATOM 829 CD1 TYR A 52 -2.553 -9.933 4.394 1.00 0.00 C ATOM 830 CD2 TYR A 52 -1.615 -8.043 3.284 1.00 0.00 C ATOM 831 CE1 TYR A 52 -3.623 -9.163 4.808 1.00 0.00 C ATOM 832 CE2 TYR A 52 -2.682 -7.267 3.694 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.683 -7.831 4.457 1.00 0.00 C ATOM 834 OH TYR A 52 -4.748 -7.062 4.867 1.00 0.00 O ATOM 0 H TYR A 52 1.428 -9.442 4.670 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.571 -11.376 4.983 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.419 -9.579 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.684 -10.868 2.349 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.510 -10.976 4.672 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.832 -7.598 2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.409 -9.603 5.404 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.732 -6.224 3.418 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.416 -6.237 5.280 1.00 0.00 H new ATOM 844 N ARG A 53 1.964 -12.297 3.081 1.00 0.00 N ATOM 845 CA ARG A 53 2.611 -13.451 2.469 1.00 0.00 C ATOM 846 C ARG A 53 2.831 -14.565 3.490 1.00 0.00 C ATOM 847 O ARG A 53 2.942 -15.736 3.130 1.00 0.00 O ATOM 848 CB ARG A 53 3.949 -13.042 1.848 1.00 0.00 C ATOM 849 CG ARG A 53 4.377 -13.928 0.690 1.00 0.00 C ATOM 850 CD ARG A 53 5.210 -13.158 -0.322 1.00 0.00 C ATOM 851 NE ARG A 53 6.206 -14.008 -0.972 1.00 0.00 N ATOM 852 CZ ARG A 53 6.812 -13.698 -2.116 1.00 0.00 C ATOM 853 NH1 ARG A 53 6.527 -12.561 -2.738 1.00 0.00 N ATOM 854 NH2 ARG A 53 7.704 -14.527 -2.638 1.00 0.00 N ATOM 0 H ARG A 53 2.491 -11.427 3.003 1.00 0.00 H new ATOM 0 HA ARG A 53 1.953 -13.828 1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.879 -12.012 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.720 -13.066 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.953 -14.772 1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.495 -14.339 0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.554 -12.726 -1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.711 -12.329 0.177 1.00 0.00 H new ATOM 0 HE ARG A 53 6.451 -14.890 -0.523 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.841 -11.920 -2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.994 -12.328 -3.614 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.926 -15.402 -2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.169 -14.290 -3.515 1.00 0.00 H new ATOM 868 N GLN A 54 2.895 -14.191 4.765 1.00 0.00 N ATOM 869 CA GLN A 54 3.101 -15.162 5.834 1.00 0.00 C ATOM 870 C GLN A 54 1.782 -15.797 6.275 1.00 0.00 C ATOM 871 O GLN A 54 1.755 -16.603 7.206 1.00 0.00 O ATOM 872 CB GLN A 54 3.781 -14.493 7.031 1.00 0.00 C ATOM 873 CG GLN A 54 5.296 -14.437 6.918 1.00 0.00 C ATOM 874 CD GLN A 54 5.986 -14.559 8.262 1.00 0.00 C ATOM 875 OE1 GLN A 54 6.167 -15.660 8.783 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.373 -13.425 8.832 1.00 0.00 N ATOM 0 H GLN A 54 2.807 -13.225 5.082 1.00 0.00 H new ATOM 0 HA GLN A 54 3.744 -15.952 5.446 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.395 -13.479 7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.513 -15.033 7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.638 -15.239 6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.587 -13.497 6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.202 -12.535 8.364 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.841 -13.443 9.738 1.00 0.00 H new ATOM 885 N GLN A 55 0.690 -15.435 5.606 1.00 0.00 N ATOM 886 CA GLN A 55 -0.622 -15.977 5.936 1.00 0.00 C ATOM 887 C GLN A 55 -1.494 -16.088 4.689 1.00 0.00 C ATOM 888 O GLN A 55 -2.652 -15.668 4.685 1.00 0.00 O ATOM 889 CB GLN A 55 -1.312 -15.096 6.981 1.00 0.00 C ATOM 890 CG GLN A 55 -2.554 -15.729 7.586 1.00 0.00 C ATOM 891 CD GLN A 55 -2.294 -16.326 8.956 1.00 0.00 C ATOM 892 OE1 GLN A 55 -1.635 -17.358 9.081 1.00 0.00 O ATOM 893 NE2 GLN A 55 -2.815 -15.678 9.992 1.00 0.00 N ATOM 0 H GLN A 55 0.689 -14.769 4.833 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.483 -16.976 6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.604 -14.871 7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.586 -14.147 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.339 -14.977 7.664 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.923 -16.507 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.355 -14.826 9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.675 -16.033 10.938 1.00 0.00 H new ATOM 902 N VAL A 56 -0.927 -16.654 3.628 1.00 0.00 N ATOM 903 CA VAL A 56 -1.649 -16.819 2.370 1.00 0.00 C ATOM 904 C VAL A 56 -2.312 -18.191 2.298 1.00 0.00 C ATOM 905 O VAL A 56 -2.122 -19.030 3.178 1.00 0.00 O ATOM 906 CB VAL A 56 -0.722 -16.647 1.146 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.474 -15.996 -0.004 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.515 -15.836 1.506 1.00 0.00 C ATOM 0 H VAL A 56 0.030 -17.006 3.614 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.411 -16.040 2.344 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.393 -17.637 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.806 -15.883 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.320 -16.622 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.836 -15.016 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.150 -15.730 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.214 -14.849 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.069 -16.347 2.294 1.00 0.00 H new ATOM 918 N THR A 57 -3.083 -18.415 1.238 1.00 0.00 N ATOM 919 CA THR A 57 -3.769 -19.678 1.037 1.00 0.00 C ATOM 920 C THR A 57 -4.301 -19.769 -0.385 1.00 0.00 C ATOM 921 O THR A 57 -4.724 -18.774 -0.971 1.00 0.00 O ATOM 922 CB THR A 57 -4.920 -19.844 2.026 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.611 -18.621 2.205 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.479 -20.329 3.391 1.00 0.00 C ATOM 0 H THR A 57 -3.246 -17.729 0.501 1.00 0.00 H new ATOM 0 HA THR A 57 -3.049 -20.479 1.207 1.00 0.00 H new ATOM 0 HB THR A 57 -5.567 -20.602 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.345 -18.750 2.841 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.348 -20.424 4.042 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.992 -21.299 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.779 -19.614 3.823 1.00 0.00 H new ATOM 932 N GLY A 58 -4.271 -20.972 -0.925 1.00 0.00 N ATOM 933 CA GLY A 58 -4.743 -21.198 -2.275 1.00 0.00 C ATOM 934 C GLY A 58 -3.761 -22.004 -3.095 1.00 0.00 C ATOM 935 O GLY A 58 -3.315 -23.073 -2.679 1.00 0.00 O ATOM 0 H GLY A 58 -3.925 -21.806 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.700 -21.719 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.919 -20.239 -2.762 1.00 0.00 H new ATOM 939 N GLU A 59 -3.424 -21.478 -4.259 1.00 0.00 N ATOM 940 CA GLU A 59 -2.483 -22.135 -5.158 1.00 0.00 C ATOM 941 C GLU A 59 -1.235 -21.277 -5.343 1.00 0.00 C ATOM 942 O GLU A 59 -1.282 -20.058 -5.175 1.00 0.00 O ATOM 943 CB GLU A 59 -3.142 -22.400 -6.514 1.00 0.00 C ATOM 944 CG GLU A 59 -4.547 -22.967 -6.408 1.00 0.00 C ATOM 945 CD GLU A 59 -4.819 -24.049 -7.434 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.239 -25.147 -7.307 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.611 -23.797 -8.367 1.00 0.00 O ATOM 0 H GLU A 59 -3.789 -20.592 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.190 -23.087 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.177 -21.469 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.521 -23.094 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.696 -23.374 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.270 -22.161 -6.535 1.00 0.00 H new ATOM 954 N PRO A 60 -0.097 -21.899 -5.693 1.00 0.00 N ATOM 955 CA PRO A 60 1.163 -21.181 -5.900 1.00 0.00 C ATOM 956 C PRO A 60 0.992 -19.985 -6.831 1.00 0.00 C ATOM 957 O PRO A 60 1.466 -18.886 -6.539 1.00 0.00 O ATOM 958 CB PRO A 60 2.091 -22.232 -6.534 1.00 0.00 C ATOM 959 CG PRO A 60 1.215 -23.395 -6.873 1.00 0.00 C ATOM 960 CD PRO A 60 0.059 -23.340 -5.920 1.00 0.00 C ATOM 0 HA PRO A 60 1.553 -20.770 -4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.579 -21.837 -7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.880 -22.525 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.871 -23.335 -7.906 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.759 -24.334 -6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.841 -23.783 -6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.270 -23.876 -4.995 1.00 0.00 H new ATOM 968 N GLN A 61 0.309 -20.206 -7.949 1.00 0.00 N ATOM 969 CA GLN A 61 0.072 -19.146 -8.921 1.00 0.00 C ATOM 970 C GLN A 61 -1.003 -18.182 -8.429 1.00 0.00 C ATOM 971 O GLN A 61 -0.947 -16.983 -8.702 1.00 0.00 O ATOM 972 CB GLN A 61 -0.338 -19.741 -10.269 1.00 0.00 C ATOM 973 CG GLN A 61 -1.579 -20.616 -10.196 1.00 0.00 C ATOM 974 CD GLN A 61 -1.457 -21.874 -11.034 1.00 0.00 C ATOM 975 OE1 GLN A 61 -1.116 -22.941 -10.525 1.00 0.00 O ATOM 976 NE2 GLN A 61 -1.735 -21.752 -12.327 1.00 0.00 N ATOM 0 H GLN A 61 -0.090 -21.109 -8.204 1.00 0.00 H new ATOM 0 HA GLN A 61 1.002 -18.590 -9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.516 -18.930 -10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.490 -20.331 -10.663 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.763 -20.892 -9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.443 -20.043 -10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.014 -20.847 -12.705 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.670 -22.563 -12.941 1.00 0.00 H new ATOM 985 N GLU A 62 -1.983 -18.711 -7.702 1.00 0.00 N ATOM 986 CA GLU A 62 -3.067 -17.890 -7.175 1.00 0.00 C ATOM 987 C GLU A 62 -2.535 -16.888 -6.159 1.00 0.00 C ATOM 988 O GLU A 62 -2.818 -15.693 -6.243 1.00 0.00 O ATOM 989 CB GLU A 62 -4.140 -18.772 -6.534 1.00 0.00 C ATOM 990 CG GLU A 62 -5.330 -19.038 -7.443 1.00 0.00 C ATOM 991 CD GLU A 62 -6.596 -19.350 -6.669 1.00 0.00 C ATOM 992 OE1 GLU A 62 -7.158 -18.422 -6.052 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.024 -20.523 -6.681 1.00 0.00 O ATOM 0 H GLU A 62 -2.048 -19.701 -7.465 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.514 -17.340 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.693 -19.724 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.491 -18.296 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.501 -18.167 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.098 -19.873 -8.105 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.758 -17.382 -5.200 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.183 -16.530 -4.173 1.00 0.00 C ATOM 1002 C ARG A 63 -0.278 -15.474 -4.797 1.00 0.00 C ATOM 1003 O ARG A 63 -0.213 -14.340 -4.325 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.395 -17.376 -3.174 1.00 0.00 C ATOM 1005 CG ARG A 63 0.812 -18.073 -3.783 1.00 0.00 C ATOM 1006 CD ARG A 63 1.700 -18.685 -2.712 1.00 0.00 C ATOM 1007 NE ARG A 63 0.971 -19.629 -1.869 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.559 -20.547 -1.104 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.881 -20.647 -1.072 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.821 -21.366 -0.367 1.00 0.00 N ATOM 0 H ARG A 63 -1.514 -18.369 -5.115 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.993 -16.023 -3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.061 -16.739 -2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.058 -18.126 -2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.477 -18.852 -4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.388 -17.358 -4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.539 -19.195 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.118 -17.892 -2.091 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.048 -19.582 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.454 -20.019 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.325 -21.352 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.196 -21.293 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.271 -22.069 0.219 1.00 0.00 H new ATOM 1024 N ASP A 64 0.417 -15.855 -5.866 1.00 0.00 N ATOM 1025 CA ASP A 64 1.315 -14.941 -6.559 1.00 0.00 C ATOM 1026 C ASP A 64 0.526 -13.882 -7.323 1.00 0.00 C ATOM 1027 O ASP A 64 0.940 -12.725 -7.406 1.00 0.00 O ATOM 1028 CB ASP A 64 2.219 -15.714 -7.522 1.00 0.00 C ATOM 1029 CG ASP A 64 3.610 -15.117 -7.611 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.747 -13.894 -7.400 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.563 -15.875 -7.893 1.00 0.00 O ATOM 0 H ASP A 64 0.374 -16.791 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 64 1.934 -14.441 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.292 -16.751 -7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.766 -15.723 -8.513 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.610 -14.287 -7.881 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.457 -13.374 -8.641 1.00 0.00 C ATOM 1038 C LYS A 65 -2.184 -12.401 -7.717 1.00 0.00 C ATOM 1039 O LYS A 65 -2.401 -11.243 -8.068 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.471 -14.162 -9.473 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.658 -13.617 -10.880 1.00 0.00 C ATOM 1042 CD LYS A 65 -3.900 -12.746 -10.981 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.555 -11.268 -10.896 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.391 -10.449 -11.816 1.00 0.00 N ATOM 0 H LYS A 65 -0.966 -15.241 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.817 -12.797 -9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.148 -15.201 -9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.432 -14.157 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.781 -13.036 -11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.735 -14.445 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.411 -12.947 -11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.593 -13.005 -10.181 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.695 -10.921 -9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.502 -11.126 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.125 -9.447 -11.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.239 -10.763 -12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.394 -10.564 -11.568 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.558 -12.882 -6.535 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.263 -12.054 -5.564 1.00 0.00 C ATOM 1060 C ALA A 66 -2.321 -11.045 -4.916 1.00 0.00 C ATOM 1061 O ALA A 66 -2.697 -9.899 -4.668 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.916 -12.926 -4.503 1.00 0.00 C ATOM 0 H ALA A 66 -2.385 -13.839 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.039 -11.500 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.439 -12.295 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.627 -13.603 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.151 -13.506 -3.987 1.00 0.00 H new ATOM 1068 N LEU A 67 -1.096 -11.481 -4.640 1.00 0.00 N ATOM 1069 CA LEU A 67 -0.102 -10.617 -4.017 1.00 0.00 C ATOM 1070 C LEU A 67 0.467 -9.618 -5.020 1.00 0.00 C ATOM 1071 O LEU A 67 0.804 -8.489 -4.665 1.00 0.00 O ATOM 1072 CB LEU A 67 1.023 -11.458 -3.416 1.00 0.00 C ATOM 1073 CG LEU A 67 1.277 -11.225 -1.927 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.548 -9.753 -1.654 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.095 -11.715 -1.104 1.00 0.00 C ATOM 0 H LEU A 67 -0.769 -12.427 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.593 -10.055 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.790 -12.512 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.943 -11.252 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 67 2.160 -11.794 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.726 -9.607 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.426 -9.434 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.686 -9.161 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.292 -11.542 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.804 -11.173 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.051 -12.781 -1.276 1.00 0.00 H new ATOM 1087 N GLN A 68 0.569 -10.043 -6.276 1.00 0.00 N ATOM 1088 CA GLN A 68 1.099 -9.187 -7.331 1.00 0.00 C ATOM 1089 C GLN A 68 0.230 -7.946 -7.515 1.00 0.00 C ATOM 1090 O GLN A 68 0.734 -6.863 -7.813 1.00 0.00 O ATOM 1091 CB GLN A 68 1.187 -9.962 -8.647 1.00 0.00 C ATOM 1092 CG GLN A 68 2.544 -10.607 -8.882 1.00 0.00 C ATOM 1093 CD GLN A 68 3.023 -10.454 -10.313 1.00 0.00 C ATOM 1094 OE1 GLN A 68 2.256 -10.079 -11.200 1.00 0.00 O ATOM 1095 NE2 GLN A 68 4.297 -10.747 -10.544 1.00 0.00 N ATOM 0 H GLN A 68 0.292 -10.974 -6.587 1.00 0.00 H new ATOM 0 HA GLN A 68 2.099 -8.867 -7.037 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.419 -10.736 -8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.967 -9.286 -9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.276 -10.161 -8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.486 -11.667 -8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.897 -11.054 -9.778 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.676 -10.665 -11.487 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.077 -8.112 -7.338 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.012 -7.002 -7.487 1.00 0.00 C ATOM 1106 C GLU A 69 -1.936 -6.061 -6.297 1.00 0.00 C ATOM 1107 O GLU A 69 -2.167 -4.859 -6.427 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.441 -7.522 -7.660 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.469 -6.420 -7.859 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.838 -6.224 -9.316 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -5.666 -7.005 -9.830 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.298 -5.289 -9.944 1.00 0.00 O ATOM 0 H GLU A 69 -1.512 -9.001 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.731 -6.445 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.472 -8.196 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.714 -8.108 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.367 -6.659 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.077 -5.485 -7.458 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.595 -6.609 -5.138 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.471 -5.809 -3.927 1.00 0.00 C ATOM 1121 C LEU A 70 -0.562 -4.612 -4.179 1.00 0.00 C ATOM 1122 O LEU A 70 -0.710 -3.561 -3.554 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.918 -6.659 -2.782 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.575 -6.420 -1.422 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.528 -7.683 -0.575 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.895 -5.267 -0.699 1.00 0.00 C ATOM 0 H LEU A 70 -1.400 -7.602 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.460 -5.447 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.032 -7.711 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.151 -6.467 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.620 -6.157 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.000 -7.493 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.060 -8.485 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.490 -7.978 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.375 -5.110 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.158 -5.503 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.981 -4.361 -1.298 1.00 0.00 H new ATOM 1138 N ARG A 71 0.383 -4.783 -5.100 1.00 0.00 N ATOM 1139 CA ARG A 71 1.322 -3.720 -5.441 1.00 0.00 C ATOM 1140 C ARG A 71 0.615 -2.577 -6.163 1.00 0.00 C ATOM 1141 O ARG A 71 0.892 -1.405 -5.912 1.00 0.00 O ATOM 1142 CB ARG A 71 2.452 -4.270 -6.315 1.00 0.00 C ATOM 1143 CG ARG A 71 3.812 -3.671 -5.998 1.00 0.00 C ATOM 1144 CD ARG A 71 4.673 -3.557 -7.245 1.00 0.00 C ATOM 1145 NE ARG A 71 6.045 -3.167 -6.928 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.896 -2.661 -7.819 1.00 0.00 C ATOM 1147 NH1 ARG A 71 6.521 -2.484 -9.079 1.00 0.00 N ATOM 1148 NH2 ARG A 71 8.126 -2.333 -7.447 1.00 0.00 N ATOM 0 H ARG A 71 0.518 -5.648 -5.623 1.00 0.00 H new ATOM 0 HA ARG A 71 1.744 -3.332 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.503 -5.352 -6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.216 -4.080 -7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.682 -2.685 -5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.320 -4.290 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.680 -4.512 -7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.235 -2.824 -7.923 1.00 0.00 H new ATOM 0 HE ARG A 71 6.370 -3.289 -5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.576 -2.736 -9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.177 -2.096 -9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.419 -2.468 -6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.779 -1.945 -8.128 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.299 -2.928 -7.063 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.044 -1.933 -7.824 1.00 0.00 C ATOM 1164 C GLN A 72 -1.851 -1.029 -6.897 1.00 0.00 C ATOM 1165 O GLN A 72 -1.865 0.191 -7.061 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.977 -2.618 -8.824 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.277 -3.075 -10.094 1.00 0.00 C ATOM 1168 CD GLN A 72 -2.168 -2.979 -11.317 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -2.852 -3.937 -11.678 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -2.164 -1.818 -11.962 1.00 0.00 N ATOM 0 H GLN A 72 -0.541 -3.894 -7.282 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.327 -1.318 -8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.441 -3.480 -8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.780 -1.930 -9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.384 -2.469 -10.251 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.945 -4.106 -9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.581 -1.051 -11.627 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.744 -1.694 -12.792 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.522 -1.635 -5.923 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.331 -0.884 -4.971 1.00 0.00 C ATOM 1181 C GLU A 73 -2.476 0.117 -4.200 1.00 0.00 C ATOM 1182 O GLU A 73 -2.803 1.303 -4.130 1.00 0.00 O ATOM 1183 CB GLU A 73 -4.023 -1.837 -3.995 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.892 -2.881 -4.678 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.222 -2.319 -5.142 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.296 -1.098 -5.391 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.189 -3.103 -5.257 1.00 0.00 O ATOM 0 H GLU A 73 -2.521 -2.644 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.088 -0.334 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.266 -2.342 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.639 -1.256 -3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.356 -3.291 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.071 -3.707 -3.989 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.382 -0.367 -3.623 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.480 0.485 -2.857 1.00 0.00 C ATOM 1196 C LEU A 74 0.254 1.463 -3.769 1.00 0.00 C ATOM 1197 O LEU A 74 0.562 2.586 -3.372 1.00 0.00 O ATOM 1198 CB LEU A 74 0.529 -0.367 -2.086 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.084 -1.438 -1.182 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.002 -2.177 -0.416 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -1.086 -0.814 -0.222 1.00 0.00 C ATOM 0 H LEU A 74 -1.098 -1.346 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.078 1.058 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.192 -0.853 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.146 0.292 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.610 -2.158 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.546 -2.935 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.682 -2.656 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.557 -1.470 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.513 -1.590 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.582 -0.073 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.882 -0.332 -0.790 1.00 0.00 H new ATOM 1213 N ASN A 75 0.534 1.026 -4.993 1.00 0.00 N ATOM 1214 CA ASN A 75 1.234 1.863 -5.962 1.00 0.00 C ATOM 1215 C ASN A 75 0.455 3.144 -6.242 1.00 0.00 C ATOM 1216 O ASN A 75 1.005 4.243 -6.181 1.00 0.00 O ATOM 1217 CB ASN A 75 1.459 1.093 -7.264 1.00 0.00 C ATOM 1218 CG ASN A 75 2.262 1.887 -8.275 1.00 0.00 C ATOM 1219 OD1 ASN A 75 1.941 3.038 -8.574 1.00 0.00 O ATOM 1220 ND2 ASN A 75 3.314 1.276 -8.807 1.00 0.00 N ATOM 0 H ASN A 75 0.287 0.098 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 75 2.200 2.135 -5.537 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.977 0.159 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.495 0.828 -7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.893 1.761 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.543 0.321 -8.530 1.00 0.00 H new ATOM 1227 N THR A 76 -0.829 2.995 -6.550 1.00 0.00 N ATOM 1228 CA THR A 76 -1.684 4.135 -6.842 1.00 0.00 C ATOM 1229 C THR A 76 -2.039 4.899 -5.576 1.00 0.00 C ATOM 1230 O THR A 76 -2.133 6.124 -5.592 1.00 0.00 O ATOM 1231 CB THR A 76 -2.962 3.697 -7.530 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.389 2.434 -7.051 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.838 3.606 -9.035 1.00 0.00 C ATOM 0 H THR A 76 -1.300 2.092 -6.603 1.00 0.00 H new ATOM 0 HA THR A 76 -1.122 4.790 -7.508 1.00 0.00 H new ATOM 0 HB THR A 76 -3.691 4.472 -7.293 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.216 2.173 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.790 3.287 -9.460 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.570 4.583 -9.438 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.065 2.882 -9.293 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.252 4.174 -4.482 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.609 4.806 -3.216 1.00 0.00 C ATOM 1243 C LEU A 77 -1.634 5.936 -2.913 1.00 0.00 C ATOM 1244 O LEU A 77 -1.989 6.930 -2.279 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.596 3.780 -2.082 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.924 3.058 -1.845 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.685 1.685 -1.240 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.829 3.890 -0.948 1.00 0.00 C ATOM 0 H LEU A 77 -2.184 3.157 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.616 5.214 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.829 3.036 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.305 4.284 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.421 2.925 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.641 1.187 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.076 1.089 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.167 1.792 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.769 3.362 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.339 4.054 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.028 4.851 -1.423 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.409 5.781 -3.396 1.00 0.00 N ATOM 1261 CA ALA A 78 0.624 6.787 -3.216 1.00 0.00 C ATOM 1262 C ALA A 78 0.342 8.020 -4.076 1.00 0.00 C ATOM 1263 O ALA A 78 0.750 9.130 -3.732 1.00 0.00 O ATOM 1264 CB ALA A 78 1.990 6.209 -3.551 1.00 0.00 C ATOM 0 H ALA A 78 -0.106 4.960 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 78 0.620 7.094 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.753 6.975 -3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.199 5.364 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.999 5.873 -4.588 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.344 7.823 -5.210 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.652 8.929 -6.117 1.00 0.00 C ATOM 1272 C ASN A 79 -1.275 10.118 -5.381 1.00 0.00 C ATOM 1273 O ASN A 79 -0.775 11.239 -5.474 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.591 8.456 -7.229 1.00 0.00 C ATOM 1275 CG ASN A 79 -1.251 9.070 -8.572 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.927 9.987 -9.039 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -0.197 8.564 -9.204 1.00 0.00 N ATOM 0 H ASN A 79 -0.692 6.915 -5.517 1.00 0.00 H new ATOM 0 HA ASN A 79 0.290 9.264 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.541 7.370 -7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.618 8.710 -6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.080 8.936 -10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.335 7.804 -8.780 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.375 9.898 -4.638 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.046 10.969 -3.893 1.00 0.00 C ATOM 1286 C PRO A 80 -2.186 11.513 -2.759 1.00 0.00 C ATOM 1287 O PRO A 80 -2.225 12.705 -2.453 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.301 10.292 -3.335 1.00 0.00 C ATOM 1289 CG PRO A 80 -3.969 8.841 -3.300 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.051 8.600 -4.465 1.00 0.00 C ATOM 0 HA PRO A 80 -3.259 11.829 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.543 10.666 -2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.168 10.484 -3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.486 8.573 -2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.870 8.232 -3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.340 7.800 -4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.603 8.312 -5.359 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.407 10.632 -2.138 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.536 11.024 -1.037 1.00 0.00 C ATOM 1300 C PHE A 81 0.596 11.919 -1.531 1.00 0.00 C ATOM 1301 O PHE A 81 0.843 12.989 -0.976 1.00 0.00 O ATOM 1302 CB PHE A 81 0.040 9.786 -0.348 1.00 0.00 C ATOM 1303 CG PHE A 81 0.851 10.103 0.876 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.352 10.949 1.854 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.111 9.554 1.050 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.095 11.242 2.981 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.859 9.843 2.175 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.350 10.689 3.143 1.00 0.00 C ATOM 0 H PHE A 81 -1.362 9.642 -2.379 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.132 11.586 -0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.778 9.121 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.665 9.243 -1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.629 11.384 1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.513 8.892 0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.695 11.903 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.840 9.409 2.298 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.932 10.917 4.024 1.00 0.00 H new ATOM 1318 N LEU A 82 1.282 11.473 -2.578 1.00 0.00 N ATOM 1319 CA LEU A 82 2.389 12.233 -3.147 1.00 0.00 C ATOM 1320 C LEU A 82 1.880 13.473 -3.874 1.00 0.00 C ATOM 1321 O LEU A 82 2.476 14.546 -3.783 1.00 0.00 O ATOM 1322 CB LEU A 82 3.194 11.358 -4.110 1.00 0.00 C ATOM 1323 CG LEU A 82 4.195 10.413 -3.444 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.511 9.240 -4.358 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.467 11.160 -3.073 1.00 0.00 C ATOM 0 H LEU A 82 1.091 10.589 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 82 3.036 12.552 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.499 10.766 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.734 12.006 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 82 3.746 10.024 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.225 8.578 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.595 8.690 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.940 9.610 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.168 10.472 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.919 11.578 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.226 11.966 -2.380 1.00 0.00 H new ATOM 1337 N ALA A 83 0.774 13.319 -4.594 1.00 0.00 N ATOM 1338 CA ALA A 83 0.185 14.427 -5.337 1.00 0.00 C ATOM 1339 C ALA A 83 -0.212 15.565 -4.403 1.00 0.00 C ATOM 1340 O ALA A 83 -0.003 16.737 -4.713 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.022 13.947 -6.129 1.00 0.00 C ATOM 0 H ALA A 83 0.267 12.438 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 83 0.935 14.807 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.452 14.784 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.712 13.172 -6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.767 13.540 -5.446 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.787 15.211 -3.257 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.213 16.204 -2.277 1.00 0.00 C ATOM 1349 C LYS A 84 -0.010 16.829 -1.578 1.00 0.00 C ATOM 1350 O LYS A 84 0.048 18.045 -1.390 1.00 0.00 O ATOM 1351 CB LYS A 84 -2.143 15.564 -1.245 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.612 15.623 -1.630 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.311 16.807 -0.980 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.822 16.642 -1.002 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.240 15.291 -0.535 1.00 0.00 N ATOM 0 H LYS A 84 -0.968 14.245 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.753 16.991 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.854 14.522 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.007 16.064 -0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.703 15.696 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.105 14.698 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.970 16.911 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.036 17.724 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.279 17.402 -0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.190 16.806 -2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.183 15.350 -0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.271 14.638 -1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.558 14.940 0.167 1.00 0.00 H new ATOM 1369 N TYR A 85 0.946 15.991 -1.193 1.00 0.00 N ATOM 1370 CA TYR A 85 2.148 16.463 -0.513 1.00 0.00 C ATOM 1371 C TYR A 85 2.933 17.423 -1.402 1.00 0.00 C ATOM 1372 O TYR A 85 3.355 18.491 -0.957 1.00 0.00 O ATOM 1373 CB TYR A 85 3.029 15.278 -0.112 1.00 0.00 C ATOM 1374 CG TYR A 85 3.318 15.213 1.372 1.00 0.00 C ATOM 1375 CD1 TYR A 85 4.310 16.002 1.941 1.00 0.00 C ATOM 1376 CD2 TYR A 85 2.597 14.364 2.202 1.00 0.00 C ATOM 1377 CE1 TYR A 85 4.576 15.946 3.295 1.00 0.00 C ATOM 1378 CE2 TYR A 85 2.858 14.303 3.558 1.00 0.00 C ATOM 1379 CZ TYR A 85 3.848 15.095 4.099 1.00 0.00 C ATOM 1380 OH TYR A 85 4.110 15.037 5.449 1.00 0.00 O ATOM 0 H TYR A 85 0.913 14.982 -1.340 1.00 0.00 H new ATOM 0 HA TYR A 85 1.843 16.999 0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.541 14.353 -0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.972 15.337 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.882 16.670 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.821 13.742 1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.351 16.566 3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.289 13.638 4.191 1.00 0.00 H new ATOM 0 HH TYR A 85 3.508 14.389 5.871 1.00 0.00 H new ATOM 1390 N ARG A 86 3.128 17.035 -2.658 1.00 0.00 N ATOM 1391 CA ARG A 86 3.864 17.860 -3.608 1.00 0.00 C ATOM 1392 C ARG A 86 3.170 19.203 -3.814 1.00 0.00 C ATOM 1393 O ARG A 86 3.824 20.229 -3.997 1.00 0.00 O ATOM 1394 CB ARG A 86 4.003 17.134 -4.946 1.00 0.00 C ATOM 1395 CG ARG A 86 5.319 17.408 -5.655 1.00 0.00 C ATOM 1396 CD ARG A 86 5.673 16.293 -6.625 1.00 0.00 C ATOM 1397 NE ARG A 86 7.117 16.114 -6.751 1.00 0.00 N ATOM 1398 CZ ARG A 86 7.689 15.017 -7.245 1.00 0.00 C ATOM 1399 NH1 ARG A 86 6.942 14.001 -7.661 1.00 0.00 N ATOM 1400 NH2 ARG A 86 9.010 14.936 -7.324 1.00 0.00 N ATOM 0 H ARG A 86 2.786 16.154 -3.041 1.00 0.00 H new ATOM 0 HA ARG A 86 4.857 18.044 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.907 16.061 -4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.181 17.430 -5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.253 18.353 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.115 17.516 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.221 15.361 -6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.249 16.516 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 86 7.723 16.874 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.925 14.058 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.385 13.163 -8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.589 15.714 -7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.448 14.096 -7.702 1.00 0.00 H new ATOM 1414 N ASP A 87 1.841 19.187 -3.786 1.00 0.00 N ATOM 1415 CA ASP A 87 1.058 20.403 -3.971 1.00 0.00 C ATOM 1416 C ASP A 87 1.038 21.237 -2.694 1.00 0.00 C ATOM 1417 O ASP A 87 1.108 22.465 -2.741 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.371 20.056 -4.391 1.00 0.00 C ATOM 1419 CG ASP A 87 -1.026 21.168 -5.188 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -1.614 22.077 -4.566 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -0.949 21.129 -6.433 1.00 0.00 O ATOM 0 H ASP A 87 1.284 18.345 -3.637 1.00 0.00 H new ATOM 0 HA ASP A 87 1.528 20.991 -4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.360 19.143 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.968 19.849 -3.503 1.00 0.00 H new ATOM 1426 N PHE A 88 0.938 20.561 -1.553 1.00 0.00 N ATOM 1427 CA PHE A 88 0.907 21.240 -0.264 1.00 0.00 C ATOM 1428 C PHE A 88 2.179 22.053 -0.045 1.00 0.00 C ATOM 1429 O PHE A 88 2.122 23.221 0.338 1.00 0.00 O ATOM 1430 CB PHE A 88 0.739 20.223 0.868 1.00 0.00 C ATOM 1431 CG PHE A 88 -0.135 20.712 1.988 1.00 0.00 C ATOM 1432 CD1 PHE A 88 -1.495 20.886 1.798 1.00 0.00 C ATOM 1433 CD2 PHE A 88 0.406 20.996 3.231 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -2.301 21.336 2.827 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -0.393 21.446 4.264 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.749 21.616 4.062 1.00 0.00 C ATOM 0 H PHE A 88 0.877 19.544 -1.496 1.00 0.00 H new ATOM 0 HA PHE A 88 0.056 21.922 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.315 19.305 0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.721 19.971 1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.932 20.668 0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.465 20.864 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.361 21.468 2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.042 21.665 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.376 21.967 4.868 1.00 0.00 H new ATOM 1446 N LEU A 89 3.326 21.427 -0.292 1.00 0.00 N ATOM 1447 CA LEU A 89 4.612 22.094 -0.122 1.00 0.00 C ATOM 1448 C LEU A 89 5.494 21.898 -1.352 1.00 0.00 C ATOM 1449 O LEU A 89 5.648 22.809 -2.167 1.00 0.00 O ATOM 1450 CB LEU A 89 5.330 21.567 1.125 1.00 0.00 C ATOM 1451 CG LEU A 89 4.989 20.126 1.518 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.228 19.400 2.020 1.00 0.00 C ATOM 1453 CD2 LEU A 89 3.893 20.108 2.574 1.00 0.00 C ATOM 0 H LEU A 89 3.391 20.460 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 89 4.423 23.160 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.405 21.637 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.092 22.221 1.964 1.00 0.00 H new ATOM 0 HG LEU A 89 4.623 19.605 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.965 18.378 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.983 19.382 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.625 19.919 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.663 19.077 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.232 20.646 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.998 20.588 2.178 1.00 0.00 H new ATOM 1465 N LYS A 90 6.069 20.708 -1.481 1.00 0.00 N ATOM 1466 CA LYS A 90 6.933 20.396 -2.613 1.00 0.00 C ATOM 1467 C LYS A 90 7.228 18.901 -2.678 1.00 0.00 C ATOM 1468 O LYS A 90 7.759 18.447 -3.712 1.00 0.00 O ATOM 1469 CB LYS A 90 8.242 21.181 -2.513 1.00 0.00 C ATOM 1470 CG LYS A 90 9.033 21.213 -3.810 1.00 0.00 C ATOM 1471 CD LYS A 90 10.481 21.609 -3.571 1.00 0.00 C ATOM 1472 CE LYS A 90 11.427 20.846 -4.484 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.297 21.277 -5.903 1.00 0.00 N ATOM 1474 OXT LYS A 90 6.926 18.196 -1.691 1.00 1.00 O ATOM 0 H LYS A 90 5.953 19.944 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 90 6.412 20.685 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.020 22.203 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.861 20.741 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.997 20.232 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.571 21.918 -4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.598 22.680 -3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.744 21.417 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.454 20.998 -4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.222 19.778 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.959 20.733 -6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.324 21.109 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.518 22.290 -5.980 1.00 0.00 H new