USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 614 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 52 SER OG : rot 124:sc= 0.452 USER MOD Set 1.2: A 57 HIS :FLIP no HD1:sc= 0.402 F(o=0,f=0.85) USER MOD Set 2.1: A 38 ASN : amide:sc= 0.977 K(o=-0.21,f=-11!) USER MOD Set 2.2: A 41 LYS NZ :NH3+ -171:sc= -1.59! (180deg=-2.94!) USER MOD Set 2.3: A 51 TYR OH : rot 180:sc= 0.394 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -169:sc= 1.25 (180deg=0) USER MOD Set 3.2: A 32 GLN : amide:sc= 1.51 K(o=2.8,f=-6.6!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -157:sc= 1.76 (180deg=0.747) USER MOD Single : A 18 ASN : amide:sc= -0.674 X(o=-0.67,f=-0.2) USER MOD Single : A 19 THR OG1 : rot 12:sc= 0.721 USER MOD Single : A 22 SER OG : rot 81:sc= 0.617 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 45 TYR OH : rot 2:sc= 0.951 USER MOD Single : A 50 HIS : no HE2:sc= 0.939 K(o=0.94,f=-3.4!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= -0.189 (180deg=-1.53) USER MOD Single : A 66 THR OG1 : rot -152:sc= 1.26 USER MOD Single : A 68 LYS NZ :NH3+ -109:sc= -0.0606 (180deg=-1.94!) USER MOD Single : A 71 ASN : amide:sc= 1.15 K(o=1.1,f=-0.013) USER MOD Single : A 72 TYR OH : rot 1:sc= 0.898 USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0.833 (180deg=0.699) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.48! F(o=-4.4,f=-3.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -10.402 0.910 4.659 1.00 0.00 N ATOM 2 CA LYS A 5 -10.669 2.310 4.396 1.00 0.00 C ATOM 3 C LYS A 5 -9.531 2.929 3.580 1.00 0.00 C ATOM 4 O LYS A 5 -9.769 3.732 2.677 1.00 0.00 O ATOM 5 CB LYS A 5 -10.874 3.071 5.715 1.00 0.00 C ATOM 6 CG LYS A 5 -9.797 2.795 6.751 1.00 0.00 C ATOM 7 CD LYS A 5 -10.042 3.556 8.040 1.00 0.00 C ATOM 8 CE LYS A 5 -8.905 3.345 9.028 1.00 0.00 C ATOM 9 NZ LYS A 5 -9.155 4.026 10.325 1.00 0.00 N ATOM 0 HA LYS A 5 -11.585 2.387 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.901 4.141 5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.845 2.803 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.762 1.726 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.824 3.072 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.146 4.619 7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.981 3.228 8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.769 2.277 9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.977 3.719 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.286 4.015 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.442 5.010 10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.912 3.530 10.837 1.00 0.00 H new ATOM 23 N LEU A 6 -8.290 2.554 3.892 1.00 0.00 N ATOM 24 CA LEU A 6 -7.135 3.140 3.219 1.00 0.00 C ATOM 25 C LEU A 6 -6.548 2.256 2.120 1.00 0.00 C ATOM 26 O LEU A 6 -5.750 2.747 1.322 1.00 0.00 O ATOM 27 CB LEU A 6 -6.024 3.495 4.213 1.00 0.00 C ATOM 28 CG LEU A 6 -6.195 4.822 4.964 1.00 0.00 C ATOM 29 CD1 LEU A 6 -6.783 5.887 4.051 1.00 0.00 C ATOM 30 CD2 LEU A 6 -7.048 4.644 6.207 1.00 0.00 C ATOM 0 H LEU A 6 -8.062 1.855 4.599 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.519 4.044 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.949 2.692 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.077 3.524 3.674 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.207 5.155 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.895 6.819 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.118 6.047 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.758 5.559 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.151 5.601 6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.034 4.277 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.572 3.926 6.875 1.00 0.00 H new ATOM 42 N ARG A 7 -6.929 0.977 2.059 1.00 0.00 N ATOM 43 CA ARG A 7 -6.266 0.037 1.142 1.00 0.00 C ATOM 44 C ARG A 7 -6.291 0.551 -0.294 1.00 0.00 C ATOM 45 O ARG A 7 -5.270 0.548 -0.980 1.00 0.00 O ATOM 46 CB ARG A 7 -6.901 -1.358 1.186 1.00 0.00 C ATOM 47 CG ARG A 7 -6.747 -2.080 2.516 1.00 0.00 C ATOM 48 CD ARG A 7 -7.356 -3.475 2.450 1.00 0.00 C ATOM 49 NE ARG A 7 -7.585 -4.052 3.774 1.00 0.00 N ATOM 50 CZ ARG A 7 -8.541 -4.947 4.037 1.00 0.00 C ATOM 51 NH1 ARG A 7 -9.397 -5.313 3.092 1.00 0.00 N ATOM 52 NH2 ARG A 7 -8.673 -5.441 5.260 1.00 0.00 N ATOM 0 H ARG A 7 -7.678 0.571 2.620 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.233 -0.041 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.963 -1.267 0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.457 -1.970 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.691 -2.152 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.231 -1.504 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.301 -3.429 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.695 -4.129 1.882 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.981 -3.754 4.540 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.328 -4.910 2.157 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.125 -5.997 3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.044 -5.138 6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.404 -6.124 5.458 1.00 0.00 H new ATOM 66 N TYR A 8 -7.458 1.007 -0.727 1.00 0.00 N ATOM 67 CA TYR A 8 -7.626 1.541 -2.075 1.00 0.00 C ATOM 68 C TYR A 8 -6.638 2.667 -2.345 1.00 0.00 C ATOM 69 O TYR A 8 -5.837 2.599 -3.279 1.00 0.00 O ATOM 70 CB TYR A 8 -9.052 2.059 -2.267 1.00 0.00 C ATOM 71 CG TYR A 8 -9.323 2.594 -3.658 1.00 0.00 C ATOM 72 CD1 TYR A 8 -9.557 1.729 -4.716 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.348 3.961 -3.912 1.00 0.00 C ATOM 74 CE1 TYR A 8 -9.808 2.205 -5.985 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.601 4.446 -5.182 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.831 3.562 -6.215 1.00 0.00 C ATOM 77 OH TYR A 8 -10.091 4.032 -7.481 1.00 0.00 O ATOM 0 H TYR A 8 -8.308 1.018 -0.163 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.435 0.732 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -9.754 1.253 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.243 2.848 -1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.542 0.663 -4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.167 4.655 -3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.986 1.515 -6.797 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.618 5.510 -5.364 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.073 5.012 -7.476 1.00 0.00 H new ATOM 87 N ALA A 9 -6.691 3.693 -1.506 1.00 0.00 N ATOM 88 CA ALA A 9 -5.872 4.879 -1.688 1.00 0.00 C ATOM 89 C ALA A 9 -4.384 4.546 -1.624 1.00 0.00 C ATOM 90 O ALA A 9 -3.609 5.003 -2.460 1.00 0.00 O ATOM 91 CB ALA A 9 -6.241 5.933 -0.656 1.00 0.00 C ATOM 0 H ALA A 9 -7.298 3.725 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.070 5.280 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.621 6.818 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.291 6.203 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.076 5.535 0.345 1.00 0.00 H new ATOM 97 N ILE A 10 -3.992 3.727 -0.654 1.00 0.00 N ATOM 98 CA ILE A 10 -2.589 3.357 -0.496 1.00 0.00 C ATOM 99 C ILE A 10 -2.067 2.658 -1.748 1.00 0.00 C ATOM 100 O ILE A 10 -1.027 3.032 -2.289 1.00 0.00 O ATOM 101 CB ILE A 10 -2.367 2.442 0.734 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.779 3.168 2.019 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.911 2.001 0.821 1.00 0.00 C ATOM 104 CD1 ILE A 10 -2.578 2.348 3.274 1.00 0.00 C ATOM 0 H ILE A 10 -4.621 3.309 0.031 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.035 4.283 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.989 1.555 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.206 4.091 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.829 3.451 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.777 1.359 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.643 1.450 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.270 2.878 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.892 2.928 4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.173 1.437 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.524 2.087 3.373 1.00 0.00 H new ATOM 116 N LEU A 11 -2.813 1.672 -2.224 1.00 0.00 N ATOM 117 CA LEU A 11 -2.390 0.874 -3.369 1.00 0.00 C ATOM 118 C LEU A 11 -2.181 1.724 -4.621 1.00 0.00 C ATOM 119 O LEU A 11 -1.156 1.599 -5.291 1.00 0.00 O ATOM 120 CB LEU A 11 -3.399 -0.244 -3.656 1.00 0.00 C ATOM 121 CG LEU A 11 -3.057 -1.612 -3.043 1.00 0.00 C ATOM 122 CD1 LEU A 11 -2.909 -1.516 -1.534 1.00 0.00 C ATOM 123 CD2 LEU A 11 -4.119 -2.641 -3.407 1.00 0.00 C ATOM 0 H LEU A 11 -3.717 1.404 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.429 0.431 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.376 0.067 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.489 -0.361 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.101 -1.934 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.667 -2.499 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.109 -0.816 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.844 -1.164 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.860 -3.603 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.087 -2.315 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.171 -2.742 -4.491 1.00 0.00 H new ATOM 135 N LYS A 12 -3.131 2.600 -4.936 1.00 0.00 N ATOM 136 CA LYS A 12 -3.033 3.396 -6.158 1.00 0.00 C ATOM 137 C LYS A 12 -2.020 4.533 -6.023 1.00 0.00 C ATOM 138 O LYS A 12 -1.433 4.958 -7.017 1.00 0.00 O ATOM 139 CB LYS A 12 -4.410 3.916 -6.615 1.00 0.00 C ATOM 140 CG LYS A 12 -5.264 4.554 -5.526 1.00 0.00 C ATOM 141 CD LYS A 12 -4.918 6.017 -5.269 1.00 0.00 C ATOM 142 CE LYS A 12 -5.256 6.902 -6.460 1.00 0.00 C ATOM 143 NZ LYS A 12 -4.055 7.242 -7.264 1.00 0.00 N ATOM 0 H LYS A 12 -3.964 2.776 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.663 2.730 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.258 4.648 -7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.967 3.086 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.314 4.480 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.141 3.991 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.460 6.369 -4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.855 6.104 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.983 6.394 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.727 7.820 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.232 8.116 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.242 7.383 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.849 6.466 -7.925 1.00 0.00 H new ATOM 157 N GLU A 13 -1.791 5.013 -4.804 1.00 0.00 N ATOM 158 CA GLU A 13 -0.788 6.053 -4.586 1.00 0.00 C ATOM 159 C GLU A 13 0.615 5.455 -4.616 1.00 0.00 C ATOM 160 O GLU A 13 1.578 6.131 -4.968 1.00 0.00 O ATOM 161 CB GLU A 13 -1.030 6.793 -3.267 1.00 0.00 C ATOM 162 CG GLU A 13 -2.281 7.664 -3.274 1.00 0.00 C ATOM 163 CD GLU A 13 -2.224 8.783 -4.300 1.00 0.00 C ATOM 164 OE1 GLU A 13 -2.557 8.535 -5.482 1.00 0.00 O ATOM 165 OE2 GLU A 13 -1.872 9.921 -3.926 1.00 0.00 O ATOM 0 H GLU A 13 -2.278 4.705 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.876 6.778 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.110 6.064 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.164 7.418 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.151 7.038 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.422 8.095 -2.283 1.00 0.00 H new ATOM 172 N ILE A 14 0.731 4.184 -4.250 1.00 0.00 N ATOM 173 CA ILE A 14 1.997 3.475 -4.381 1.00 0.00 C ATOM 174 C ILE A 14 2.255 3.138 -5.846 1.00 0.00 C ATOM 175 O ILE A 14 3.338 3.400 -6.374 1.00 0.00 O ATOM 176 CB ILE A 14 2.023 2.175 -3.540 1.00 0.00 C ATOM 177 CG1 ILE A 14 2.025 2.509 -2.047 1.00 0.00 C ATOM 178 CG2 ILE A 14 3.234 1.317 -3.898 1.00 0.00 C ATOM 179 CD1 ILE A 14 2.039 1.289 -1.152 1.00 0.00 C ATOM 0 H ILE A 14 -0.031 3.627 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 14 2.780 4.133 -4.005 1.00 0.00 H new ATOM 0 HB ILE A 14 1.124 1.602 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.896 3.124 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.144 3.108 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.229 0.410 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.191 1.050 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.148 1.878 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.040 1.603 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.154 0.684 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.934 0.700 -1.354 1.00 0.00 H new ATOM 191 N PHE A 15 1.235 2.578 -6.495 1.00 0.00 N ATOM 192 CA PHE A 15 1.323 2.154 -7.891 1.00 0.00 C ATOM 193 C PHE A 15 1.725 3.318 -8.796 1.00 0.00 C ATOM 194 O PHE A 15 2.656 3.206 -9.592 1.00 0.00 O ATOM 195 CB PHE A 15 -0.031 1.582 -8.331 1.00 0.00 C ATOM 196 CG PHE A 15 -0.020 0.905 -9.675 1.00 0.00 C ATOM 197 CD1 PHE A 15 0.333 -0.429 -9.784 1.00 0.00 C ATOM 198 CD2 PHE A 15 -0.380 1.595 -10.819 1.00 0.00 C ATOM 199 CE1 PHE A 15 0.332 -1.065 -11.012 1.00 0.00 C ATOM 200 CE2 PHE A 15 -0.383 0.967 -12.050 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.027 -0.366 -12.147 1.00 0.00 C ATOM 0 H PHE A 15 0.325 2.406 -6.068 1.00 0.00 H new ATOM 0 HA PHE A 15 2.092 1.386 -7.977 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.369 0.866 -7.581 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.762 2.390 -8.352 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.613 -0.980 -8.898 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.662 2.635 -10.749 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.611 -2.106 -11.083 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.663 1.517 -12.936 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.030 -0.859 -13.108 1.00 0.00 H new ATOM 211 N GLU A 16 1.028 4.437 -8.654 1.00 0.00 N ATOM 212 CA GLU A 16 1.270 5.600 -9.500 1.00 0.00 C ATOM 213 C GLU A 16 2.389 6.475 -8.939 1.00 0.00 C ATOM 214 O GLU A 16 3.119 7.125 -9.689 1.00 0.00 O ATOM 215 CB GLU A 16 -0.014 6.417 -9.635 1.00 0.00 C ATOM 216 CG GLU A 16 -1.151 5.648 -10.284 1.00 0.00 C ATOM 217 CD GLU A 16 -2.482 6.358 -10.172 1.00 0.00 C ATOM 218 OE1 GLU A 16 -2.671 7.394 -10.846 1.00 0.00 O ATOM 219 OE2 GLU A 16 -3.349 5.880 -9.411 1.00 0.00 O ATOM 0 H GLU A 16 0.290 4.565 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 16 1.583 5.245 -10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.329 6.752 -8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.193 7.311 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.919 5.486 -11.337 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.229 4.665 -9.820 1.00 0.00 H new ATOM 226 N GLY A 17 2.529 6.478 -7.619 1.00 0.00 N ATOM 227 CA GLY A 17 3.502 7.341 -6.974 1.00 0.00 C ATOM 228 C GLY A 17 4.929 6.864 -7.149 1.00 0.00 C ATOM 229 O GLY A 17 5.862 7.662 -7.051 1.00 0.00 O ATOM 0 H GLY A 17 1.985 5.897 -6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.410 8.349 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.274 7.403 -5.910 1.00 0.00 H new ATOM 233 N ASN A 18 5.097 5.556 -7.374 1.00 0.00 N ATOM 234 CA ASN A 18 6.415 4.948 -7.626 1.00 0.00 C ATOM 235 C ASN A 18 7.244 4.871 -6.339 1.00 0.00 C ATOM 236 O ASN A 18 8.331 4.298 -6.333 1.00 0.00 O ATOM 237 CB ASN A 18 7.175 5.732 -8.717 1.00 0.00 C ATOM 238 CG ASN A 18 8.509 5.111 -9.114 1.00 0.00 C ATOM 239 OD1 ASN A 18 9.478 5.826 -9.380 1.00 0.00 O ATOM 240 ND2 ASN A 18 8.567 3.790 -9.191 1.00 0.00 N ATOM 0 H ASN A 18 4.327 4.887 -7.387 1.00 0.00 H new ATOM 0 HA ASN A 18 6.253 3.930 -7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.543 5.807 -9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.350 6.748 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.433 3.333 -9.478 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.746 3.229 -8.964 1.00 0.00 H new ATOM 247 N THR A 19 6.698 5.430 -5.251 1.00 0.00 N ATOM 248 CA THR A 19 7.347 5.471 -3.929 1.00 0.00 C ATOM 249 C THR A 19 8.726 6.161 -3.957 1.00 0.00 C ATOM 250 O THR A 19 9.376 6.253 -4.999 1.00 0.00 O ATOM 251 CB THR A 19 7.455 4.065 -3.269 1.00 0.00 C ATOM 252 OG1 THR A 19 8.139 3.131 -4.110 1.00 0.00 O ATOM 253 CG2 THR A 19 6.072 3.521 -2.939 1.00 0.00 C ATOM 0 H THR A 19 5.780 5.874 -5.262 1.00 0.00 H new ATOM 0 HA THR A 19 6.688 6.080 -3.310 1.00 0.00 H new ATOM 0 HB THR A 19 8.031 4.188 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.572 3.610 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.168 2.538 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.570 4.198 -2.248 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.486 3.437 -3.854 1.00 0.00 H new ATOM 261 N PRO A 20 9.191 6.688 -2.810 1.00 0.00 N ATOM 262 CA PRO A 20 8.476 6.642 -1.528 1.00 0.00 C ATOM 263 C PRO A 20 7.327 7.645 -1.451 1.00 0.00 C ATOM 264 O PRO A 20 7.207 8.543 -2.285 1.00 0.00 O ATOM 265 CB PRO A 20 9.549 7.037 -0.498 1.00 0.00 C ATOM 266 CG PRO A 20 10.839 7.095 -1.248 1.00 0.00 C ATOM 267 CD PRO A 20 10.475 7.379 -2.672 1.00 0.00 C ATOM 0 HA PRO A 20 8.028 5.661 -1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.318 8.001 -0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.600 6.308 0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.488 7.874 -0.848 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.382 6.154 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.384 8.448 -2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.221 6.994 -3.367 1.00 0.00 H new ATOM 275 N LEU A 21 6.482 7.474 -0.447 1.00 0.00 N ATOM 276 CA LEU A 21 5.473 8.464 -0.110 1.00 0.00 C ATOM 277 C LEU A 21 5.239 8.421 1.393 1.00 0.00 C ATOM 278 O LEU A 21 5.013 7.352 1.964 1.00 0.00 O ATOM 279 CB LEU A 21 4.154 8.248 -0.875 1.00 0.00 C ATOM 280 CG LEU A 21 3.306 7.035 -0.466 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.885 7.193 -0.978 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.903 5.746 -1.003 1.00 0.00 C ATOM 0 H LEU A 21 6.476 6.650 0.154 1.00 0.00 H new ATOM 0 HA LEU A 21 5.838 9.446 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.544 9.144 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.388 8.157 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 21 3.295 6.984 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.293 6.327 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.444 8.096 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.896 7.270 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.283 4.903 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.946 5.791 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.910 5.618 -0.605 1.00 0.00 H new ATOM 294 N SER A 22 5.334 9.568 2.033 1.00 0.00 N ATOM 295 CA SER A 22 5.186 9.646 3.472 1.00 0.00 C ATOM 296 C SER A 22 3.712 9.677 3.851 1.00 0.00 C ATOM 297 O SER A 22 2.842 9.831 2.992 1.00 0.00 O ATOM 298 CB SER A 22 5.878 10.906 3.995 1.00 0.00 C ATOM 299 OG SER A 22 7.108 11.128 3.326 1.00 0.00 O ATOM 0 H SER A 22 5.514 10.463 1.577 1.00 0.00 H new ATOM 0 HA SER A 22 5.647 8.766 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.225 11.767 3.857 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.055 10.809 5.066 1.00 0.00 H new ATOM 0 HG SER A 22 6.937 11.552 2.459 1.00 0.00 H new ATOM 305 N GLU A 23 3.441 9.540 5.139 1.00 0.00 N ATOM 306 CA GLU A 23 2.087 9.664 5.659 1.00 0.00 C ATOM 307 C GLU A 23 1.526 11.046 5.319 1.00 0.00 C ATOM 308 O GLU A 23 0.354 11.185 4.961 1.00 0.00 O ATOM 309 CB GLU A 23 2.069 9.407 7.182 1.00 0.00 C ATOM 310 CG GLU A 23 2.915 10.369 8.018 1.00 0.00 C ATOM 311 CD GLU A 23 4.389 10.346 7.661 1.00 0.00 C ATOM 312 OE1 GLU A 23 4.962 9.241 7.541 1.00 0.00 O ATOM 313 OE2 GLU A 23 4.973 11.431 7.472 1.00 0.00 O ATOM 0 H GLU A 23 4.146 9.341 5.849 1.00 0.00 H new ATOM 0 HA GLU A 23 1.451 8.913 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.038 9.460 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.416 8.390 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.534 11.382 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.801 10.118 9.073 1.00 0.00 H new ATOM 320 N ASN A 24 2.396 12.052 5.378 1.00 0.00 N ATOM 321 CA ASN A 24 2.026 13.423 5.044 1.00 0.00 C ATOM 322 C ASN A 24 1.715 13.548 3.553 1.00 0.00 C ATOM 323 O ASN A 24 0.925 14.397 3.140 1.00 0.00 O ATOM 324 CB ASN A 24 3.164 14.378 5.427 1.00 0.00 C ATOM 325 CG ASN A 24 2.765 15.840 5.340 1.00 0.00 C ATOM 326 OD1 ASN A 24 2.239 16.407 6.298 1.00 0.00 O ATOM 327 ND2 ASN A 24 3.045 16.471 4.214 1.00 0.00 N ATOM 0 H ASN A 24 3.371 11.940 5.657 1.00 0.00 H new ATOM 0 HA ASN A 24 1.131 13.689 5.606 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.491 14.156 6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.017 14.200 4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.825 17.462 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.481 15.967 3.442 1.00 0.00 H new ATOM 334 N ASP A 25 2.334 12.688 2.748 1.00 0.00 N ATOM 335 CA ASP A 25 2.130 12.703 1.302 1.00 0.00 C ATOM 336 C ASP A 25 0.802 12.067 0.940 1.00 0.00 C ATOM 337 O ASP A 25 0.010 12.639 0.191 1.00 0.00 O ATOM 338 CB ASP A 25 3.249 11.959 0.564 1.00 0.00 C ATOM 339 CG ASP A 25 4.576 12.681 0.608 1.00 0.00 C ATOM 340 OD1 ASP A 25 4.695 13.750 -0.025 1.00 0.00 O ATOM 341 OD2 ASP A 25 5.505 12.180 1.268 1.00 0.00 O ATOM 0 H ASP A 25 2.982 11.971 3.073 1.00 0.00 H new ATOM 0 HA ASP A 25 2.137 13.748 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.368 10.968 1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.956 11.815 -0.476 1.00 0.00 H new ATOM 346 N ILE A 26 0.561 10.884 1.478 1.00 0.00 N ATOM 347 CA ILE A 26 -0.628 10.118 1.131 1.00 0.00 C ATOM 348 C ILE A 26 -1.880 10.691 1.809 1.00 0.00 C ATOM 349 O ILE A 26 -2.982 10.603 1.266 1.00 0.00 O ATOM 350 CB ILE A 26 -0.448 8.624 1.483 1.00 0.00 C ATOM 351 CG1 ILE A 26 -1.653 7.806 1.010 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.220 8.441 2.975 1.00 0.00 C ATOM 353 CD1 ILE A 26 -1.549 6.332 1.328 1.00 0.00 C ATOM 0 H ILE A 26 1.172 10.431 2.158 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.767 10.198 0.053 1.00 0.00 H new ATOM 0 HB ILE A 26 0.436 8.258 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.556 8.205 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.764 7.929 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.096 7.381 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.678 8.982 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.078 8.829 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.438 5.817 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.665 5.917 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.469 6.197 2.407 1.00 0.00 H new ATOM 365 N GLY A 27 -1.704 11.300 2.979 1.00 0.00 N ATOM 366 CA GLY A 27 -2.817 11.947 3.653 1.00 0.00 C ATOM 367 C GLY A 27 -3.344 11.149 4.832 1.00 0.00 C ATOM 368 O GLY A 27 -4.540 11.174 5.121 1.00 0.00 O ATOM 0 H GLY A 27 -0.813 11.357 3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.502 12.931 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.625 12.105 2.938 1.00 0.00 H new ATOM 372 N VAL A 28 -2.456 10.437 5.511 1.00 0.00 N ATOM 373 CA VAL A 28 -2.831 9.661 6.688 1.00 0.00 C ATOM 374 C VAL A 28 -1.777 9.832 7.771 1.00 0.00 C ATOM 375 O VAL A 28 -0.736 10.432 7.531 1.00 0.00 O ATOM 376 CB VAL A 28 -2.991 8.150 6.379 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.043 7.918 5.307 1.00 0.00 C ATOM 378 CG2 VAL A 28 -1.663 7.529 5.970 1.00 0.00 C ATOM 0 H VAL A 28 -1.467 10.380 5.267 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.797 10.038 7.023 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.326 7.661 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.133 6.850 5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.002 8.307 5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.749 8.431 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.806 6.469 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.287 8.029 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.943 7.644 6.780 1.00 0.00 H new ATOM 388 N THR A 29 -2.055 9.329 8.962 1.00 0.00 N ATOM 389 CA THR A 29 -1.074 9.345 10.036 1.00 0.00 C ATOM 390 C THR A 29 -0.150 8.138 9.947 1.00 0.00 C ATOM 391 O THR A 29 -0.451 7.157 9.266 1.00 0.00 O ATOM 392 CB THR A 29 -1.744 9.394 11.426 1.00 0.00 C ATOM 393 OG1 THR A 29 -0.778 9.194 12.465 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.850 8.355 11.544 1.00 0.00 C ATOM 0 H THR A 29 -2.949 8.905 9.210 1.00 0.00 H new ATOM 0 HA THR A 29 -0.484 10.253 9.914 1.00 0.00 H new ATOM 0 HB THR A 29 -2.186 10.384 11.539 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.223 9.231 13.337 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.302 8.415 12.534 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.610 8.545 10.786 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.431 7.360 11.396 1.00 0.00 H new ATOM 402 N GLU A 30 0.958 8.220 10.665 1.00 0.00 N ATOM 403 CA GLU A 30 1.965 7.165 10.677 1.00 0.00 C ATOM 404 C GLU A 30 1.369 5.869 11.193 1.00 0.00 C ATOM 405 O GLU A 30 1.623 4.790 10.658 1.00 0.00 O ATOM 406 CB GLU A 30 3.124 7.549 11.592 1.00 0.00 C ATOM 407 CG GLU A 30 3.626 8.964 11.400 1.00 0.00 C ATOM 408 CD GLU A 30 4.747 9.302 12.361 1.00 0.00 C ATOM 409 OE1 GLU A 30 5.885 8.825 12.151 1.00 0.00 O ATOM 410 OE2 GLU A 30 4.489 10.020 13.349 1.00 0.00 O ATOM 0 H GLU A 30 1.187 9.019 11.257 1.00 0.00 H new ATOM 0 HA GLU A 30 2.320 7.033 9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.810 7.425 12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.949 6.857 11.424 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.976 9.089 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.802 9.664 11.543 1.00 0.00 H new ATOM 417 N ASP A 31 0.568 5.999 12.237 1.00 0.00 N ATOM 418 CA ASP A 31 -0.004 4.853 12.926 1.00 0.00 C ATOM 419 C ASP A 31 -0.883 4.021 12.000 1.00 0.00 C ATOM 420 O ASP A 31 -0.686 2.812 11.863 1.00 0.00 O ATOM 421 CB ASP A 31 -0.820 5.326 14.121 1.00 0.00 C ATOM 422 CG ASP A 31 -1.513 4.180 14.826 1.00 0.00 C ATOM 423 OD1 ASP A 31 -0.876 3.534 15.684 1.00 0.00 O ATOM 424 OD2 ASP A 31 -2.695 3.918 14.529 1.00 0.00 O ATOM 0 H ASP A 31 0.296 6.900 12.631 1.00 0.00 H new ATOM 0 HA ASP A 31 0.818 4.222 13.265 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.166 5.842 14.824 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.564 6.049 13.788 1.00 0.00 H new ATOM 429 N GLN A 32 -1.849 4.675 11.366 1.00 0.00 N ATOM 430 CA GLN A 32 -2.765 3.995 10.454 1.00 0.00 C ATOM 431 C GLN A 32 -2.042 3.554 9.186 1.00 0.00 C ATOM 432 O GLN A 32 -2.462 2.611 8.516 1.00 0.00 O ATOM 433 CB GLN A 32 -3.951 4.902 10.114 1.00 0.00 C ATOM 434 CG GLN A 32 -4.840 5.207 11.314 1.00 0.00 C ATOM 435 CD GLN A 32 -5.547 3.974 11.849 1.00 0.00 C ATOM 436 OE1 GLN A 32 -6.647 3.637 11.406 1.00 0.00 O ATOM 437 NE2 GLN A 32 -4.937 3.302 12.818 1.00 0.00 N ATOM 0 H GLN A 32 -2.019 5.676 11.466 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.144 3.103 10.952 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.577 5.838 9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.551 4.428 9.337 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.235 5.646 12.107 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.583 5.952 11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.027 3.612 13.159 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.379 2.476 13.222 1.00 0.00 H new ATOM 446 N PHE A 33 -0.945 4.234 8.871 1.00 0.00 N ATOM 447 CA PHE A 33 -0.100 3.851 7.748 1.00 0.00 C ATOM 448 C PHE A 33 0.563 2.510 8.045 1.00 0.00 C ATOM 449 O PHE A 33 0.444 1.566 7.269 1.00 0.00 O ATOM 450 CB PHE A 33 0.957 4.933 7.490 1.00 0.00 C ATOM 451 CG PHE A 33 1.804 4.692 6.273 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.316 4.975 5.006 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.092 4.194 6.396 1.00 0.00 C ATOM 454 CE1 PHE A 33 2.096 4.763 3.886 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.876 3.980 5.279 1.00 0.00 C ATOM 456 CZ PHE A 33 3.378 4.264 4.023 1.00 0.00 C ATOM 0 H PHE A 33 -0.620 5.056 9.380 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.711 3.751 6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.457 5.896 7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.607 5.005 8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.315 5.365 4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.487 3.971 7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.705 4.987 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.878 3.591 5.388 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.989 4.097 3.149 1.00 0.00 H new ATOM 466 N ASP A 34 1.241 2.436 9.187 1.00 0.00 N ATOM 467 CA ASP A 34 1.854 1.192 9.657 1.00 0.00 C ATOM 468 C ASP A 34 0.806 0.090 9.717 1.00 0.00 C ATOM 469 O ASP A 34 1.005 -1.008 9.197 1.00 0.00 O ATOM 470 CB ASP A 34 2.466 1.404 11.050 1.00 0.00 C ATOM 471 CG ASP A 34 3.144 0.165 11.616 1.00 0.00 C ATOM 472 OD1 ASP A 34 2.447 -0.823 11.929 1.00 0.00 O ATOM 473 OD2 ASP A 34 4.382 0.187 11.787 1.00 0.00 O ATOM 0 H ASP A 34 1.382 3.230 9.811 1.00 0.00 H new ATOM 0 HA ASP A 34 2.641 0.899 8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.194 2.214 10.998 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.682 1.724 11.737 1.00 0.00 H new ATOM 478 N ASP A 35 -0.323 0.426 10.330 1.00 0.00 N ATOM 479 CA ASP A 35 -1.439 -0.496 10.507 1.00 0.00 C ATOM 480 C ASP A 35 -1.864 -1.131 9.186 1.00 0.00 C ATOM 481 O ASP A 35 -1.866 -2.355 9.046 1.00 0.00 O ATOM 482 CB ASP A 35 -2.621 0.259 11.122 1.00 0.00 C ATOM 483 CG ASP A 35 -3.839 -0.613 11.329 1.00 0.00 C ATOM 484 OD1 ASP A 35 -4.669 -0.710 10.405 1.00 0.00 O ATOM 485 OD2 ASP A 35 -3.986 -1.186 12.428 1.00 0.00 O ATOM 0 H ASP A 35 -0.491 1.353 10.721 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.116 -1.299 11.170 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.316 0.681 12.080 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.886 1.096 10.475 1.00 0.00 H new ATOM 490 N ALA A 36 -2.204 -0.291 8.215 1.00 0.00 N ATOM 491 CA ALA A 36 -2.721 -0.766 6.940 1.00 0.00 C ATOM 492 C ALA A 36 -1.642 -1.457 6.111 1.00 0.00 C ATOM 493 O ALA A 36 -1.872 -2.538 5.571 1.00 0.00 O ATOM 494 CB ALA A 36 -3.336 0.385 6.159 1.00 0.00 C ATOM 0 H ALA A 36 -2.130 0.724 8.288 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.493 -1.506 7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.719 0.016 5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.153 0.820 6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.577 1.146 5.974 1.00 0.00 H new ATOM 500 N VAL A 37 -0.464 -0.842 6.023 1.00 0.00 N ATOM 501 CA VAL A 37 0.627 -1.395 5.219 1.00 0.00 C ATOM 502 C VAL A 37 1.054 -2.765 5.740 1.00 0.00 C ATOM 503 O VAL A 37 1.237 -3.704 4.961 1.00 0.00 O ATOM 504 CB VAL A 37 1.852 -0.447 5.176 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.035 -1.112 4.487 1.00 0.00 C ATOM 506 CG2 VAL A 37 1.495 0.847 4.465 1.00 0.00 C ATOM 0 H VAL A 37 -0.240 0.034 6.495 1.00 0.00 H new ATOM 0 HA VAL A 37 0.245 -1.503 4.204 1.00 0.00 H new ATOM 0 HB VAL A 37 2.138 -0.221 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.880 -0.424 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.312 -2.015 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.761 -1.374 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.366 1.502 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.181 0.627 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.682 1.342 4.996 1.00 0.00 H new ATOM 516 N ASN A 38 1.186 -2.886 7.055 1.00 0.00 N ATOM 517 CA ASN A 38 1.574 -4.152 7.665 1.00 0.00 C ATOM 518 C ASN A 38 0.490 -5.203 7.476 1.00 0.00 C ATOM 519 O ASN A 38 0.790 -6.379 7.279 1.00 0.00 O ATOM 520 CB ASN A 38 1.892 -3.970 9.150 1.00 0.00 C ATOM 521 CG ASN A 38 3.368 -3.722 9.383 1.00 0.00 C ATOM 522 OD1 ASN A 38 4.216 -4.267 8.671 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.684 -2.889 10.361 1.00 0.00 N ATOM 0 H ASN A 38 1.031 -2.126 7.718 1.00 0.00 H new ATOM 0 HA ASN A 38 2.477 -4.500 7.163 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.316 -3.133 9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.581 -4.859 9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.663 -2.674 10.552 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.949 -2.461 10.924 1.00 0.00 H new ATOM 530 N PHE A 39 -0.765 -4.772 7.511 1.00 0.00 N ATOM 531 CA PHE A 39 -1.883 -5.677 7.288 1.00 0.00 C ATOM 532 C PHE A 39 -1.904 -6.142 5.833 1.00 0.00 C ATOM 533 O PHE A 39 -2.125 -7.321 5.548 1.00 0.00 O ATOM 534 CB PHE A 39 -3.207 -4.998 7.645 1.00 0.00 C ATOM 535 CG PHE A 39 -4.377 -5.935 7.621 1.00 0.00 C ATOM 536 CD1 PHE A 39 -4.692 -6.691 8.737 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.156 -6.064 6.484 1.00 0.00 C ATOM 538 CE1 PHE A 39 -5.764 -7.559 8.720 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.229 -6.930 6.462 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.535 -7.679 7.582 1.00 0.00 C ATOM 0 H PHE A 39 -1.032 -3.804 7.691 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.756 -6.546 7.934 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.125 -4.555 8.638 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.389 -4.182 6.946 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.092 -6.600 9.630 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.921 -5.481 5.606 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.000 -8.144 9.597 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.830 -7.023 5.569 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.376 -8.357 7.567 1.00 0.00 H new ATOM 550 N LEU A 40 -1.657 -5.211 4.915 1.00 0.00 N ATOM 551 CA LEU A 40 -1.578 -5.536 3.493 1.00 0.00 C ATOM 552 C LEU A 40 -0.434 -6.509 3.232 1.00 0.00 C ATOM 553 O LEU A 40 -0.549 -7.415 2.408 1.00 0.00 O ATOM 554 CB LEU A 40 -1.383 -4.265 2.665 1.00 0.00 C ATOM 555 CG LEU A 40 -2.559 -3.288 2.686 1.00 0.00 C ATOM 556 CD1 LEU A 40 -2.170 -1.969 2.038 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.761 -3.892 1.978 1.00 0.00 C ATOM 0 H LEU A 40 -1.508 -4.225 5.130 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.515 -6.008 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.495 -3.747 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.187 -4.550 1.631 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.828 -3.095 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.020 -1.287 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.335 -1.528 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.876 -2.145 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.590 -3.185 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.501 -4.112 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.055 -4.813 2.482 1.00 0.00 H new ATOM 569 N LYS A 41 0.663 -6.315 3.948 1.00 0.00 N ATOM 570 CA LYS A 41 1.824 -7.188 3.839 1.00 0.00 C ATOM 571 C LYS A 41 1.522 -8.557 4.458 1.00 0.00 C ATOM 572 O LYS A 41 2.113 -9.570 4.083 1.00 0.00 O ATOM 573 CB LYS A 41 3.020 -6.541 4.548 1.00 0.00 C ATOM 574 CG LYS A 41 4.353 -7.218 4.266 1.00 0.00 C ATOM 575 CD LYS A 41 5.490 -6.591 5.069 1.00 0.00 C ATOM 576 CE LYS A 41 5.574 -7.146 6.489 1.00 0.00 C ATOM 577 NZ LYS A 41 4.414 -6.751 7.336 1.00 0.00 N ATOM 0 H LYS A 41 0.775 -5.553 4.617 1.00 0.00 H new ATOM 0 HA LYS A 41 2.064 -7.331 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.085 -5.496 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.840 -6.552 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.280 -8.279 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.578 -7.148 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.435 -6.769 4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.349 -5.511 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.632 -8.234 6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.494 -6.796 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.596 -7.024 8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.278 -5.721 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.557 -7.232 6.996 1.00 0.00 H new ATOM 591 N ARG A 42 0.584 -8.569 5.397 1.00 0.00 N ATOM 592 CA ARG A 42 0.228 -9.776 6.130 1.00 0.00 C ATOM 593 C ARG A 42 -0.500 -10.768 5.222 1.00 0.00 C ATOM 594 O ARG A 42 -0.092 -11.922 5.104 1.00 0.00 O ATOM 595 CB ARG A 42 -0.652 -9.409 7.325 1.00 0.00 C ATOM 596 CG ARG A 42 -0.588 -10.397 8.480 1.00 0.00 C ATOM 597 CD ARG A 42 -1.538 -9.987 9.594 1.00 0.00 C ATOM 598 NE ARG A 42 -1.256 -10.672 10.854 1.00 0.00 N ATOM 599 CZ ARG A 42 -2.140 -11.420 11.511 1.00 0.00 C ATOM 600 NH1 ARG A 42 -3.304 -11.726 10.954 1.00 0.00 N ATOM 601 NH2 ARG A 42 -1.840 -11.895 12.710 1.00 0.00 N ATOM 0 H ARG A 42 0.050 -7.744 5.671 1.00 0.00 H new ATOM 0 HA ARG A 42 1.142 -10.252 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.358 -8.424 7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.686 -9.329 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.845 -11.395 8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.431 -10.448 8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.469 -8.910 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.563 -10.201 9.290 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.324 -10.571 11.255 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.526 -11.388 10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.977 -12.299 11.462 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.933 -11.688 13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.516 -12.468 13.215 1.00 0.00 H new ATOM 615 N GLU A 43 -1.577 -10.315 4.579 1.00 0.00 N ATOM 616 CA GLU A 43 -2.342 -11.178 3.676 1.00 0.00 C ATOM 617 C GLU A 43 -1.664 -11.277 2.313 1.00 0.00 C ATOM 618 O GLU A 43 -1.928 -12.196 1.535 1.00 0.00 O ATOM 619 CB GLU A 43 -3.774 -10.669 3.495 1.00 0.00 C ATOM 620 CG GLU A 43 -4.600 -10.640 4.772 1.00 0.00 C ATOM 621 CD GLU A 43 -6.081 -10.457 4.495 1.00 0.00 C ATOM 622 OE1 GLU A 43 -6.535 -9.303 4.342 1.00 0.00 O ATOM 623 OE2 GLU A 43 -6.800 -11.474 4.416 1.00 0.00 O ATOM 0 H GLU A 43 -1.937 -9.365 4.665 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.378 -12.167 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.738 -9.663 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.280 -11.299 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.447 -11.569 5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.249 -9.830 5.411 1.00 0.00 H new ATOM 630 N GLY A 44 -0.805 -10.315 2.018 1.00 0.00 N ATOM 631 CA GLY A 44 -0.068 -10.342 0.774 1.00 0.00 C ATOM 632 C GLY A 44 -0.761 -9.579 -0.337 1.00 0.00 C ATOM 633 O GLY A 44 -1.092 -10.149 -1.377 1.00 0.00 O ATOM 0 H GLY A 44 -0.605 -9.515 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.923 -9.919 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.074 -11.377 0.464 1.00 0.00 H new ATOM 637 N TYR A 45 -1.007 -8.298 -0.110 1.00 0.00 N ATOM 638 CA TYR A 45 -1.541 -7.425 -1.149 1.00 0.00 C ATOM 639 C TYR A 45 -0.398 -6.674 -1.823 1.00 0.00 C ATOM 640 O TYR A 45 -0.438 -6.391 -3.022 1.00 0.00 O ATOM 641 CB TYR A 45 -2.550 -6.424 -0.571 1.00 0.00 C ATOM 642 CG TYR A 45 -3.795 -7.057 0.011 1.00 0.00 C ATOM 643 CD1 TYR A 45 -3.827 -7.473 1.332 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.938 -7.236 -0.759 1.00 0.00 C ATOM 645 CE1 TYR A 45 -4.956 -8.049 1.871 1.00 0.00 C ATOM 646 CE2 TYR A 45 -6.074 -7.814 -0.224 1.00 0.00 C ATOM 647 CZ TYR A 45 -6.077 -8.217 1.090 1.00 0.00 C ATOM 648 OH TYR A 45 -7.196 -8.801 1.631 1.00 0.00 O ATOM 0 H TYR A 45 -0.846 -7.837 0.786 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.060 -8.043 -1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.058 -5.838 0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.844 -5.728 -1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.951 -7.343 1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.939 -6.919 -1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.962 -8.368 2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.954 -7.948 -0.835 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.035 -9.004 2.576 1.00 0.00 H new ATOM 658 N ILE A 46 0.624 -6.366 -1.035 1.00 0.00 N ATOM 659 CA ILE A 46 1.815 -5.694 -1.534 1.00 0.00 C ATOM 660 C ILE A 46 3.065 -6.282 -0.888 1.00 0.00 C ATOM 661 O ILE A 46 3.012 -6.781 0.238 1.00 0.00 O ATOM 662 CB ILE A 46 1.765 -4.157 -1.300 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.189 -3.803 0.081 1.00 0.00 C ATOM 664 CG2 ILE A 46 0.963 -3.472 -2.397 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.168 -3.961 1.229 1.00 0.00 C ATOM 0 H ILE A 46 0.650 -6.574 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 46 1.851 -5.859 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 46 2.792 -3.793 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.836 -2.772 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.320 -4.434 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.940 -2.398 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.429 -3.666 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.055 -3.861 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.678 -3.690 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.503 -4.997 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.027 -3.309 1.067 1.00 0.00 H new ATOM 677 N ILE A 47 4.173 -6.242 -1.612 1.00 0.00 N ATOM 678 CA ILE A 47 5.442 -6.760 -1.114 1.00 0.00 C ATOM 679 C ILE A 47 6.558 -5.770 -1.414 1.00 0.00 C ATOM 680 O ILE A 47 6.311 -4.704 -1.977 1.00 0.00 O ATOM 681 CB ILE A 47 5.821 -8.148 -1.708 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.008 -8.089 -3.237 1.00 0.00 C ATOM 683 CG2 ILE A 47 4.783 -9.199 -1.331 1.00 0.00 C ATOM 684 CD1 ILE A 47 4.721 -8.003 -4.032 1.00 0.00 C ATOM 0 H ILE A 47 4.221 -5.853 -2.554 1.00 0.00 H new ATOM 0 HA ILE A 47 5.317 -6.893 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 47 6.779 -8.435 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.627 -7.225 -3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.557 -8.975 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.068 -10.161 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.729 -9.284 -0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.809 -8.904 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.953 -7.966 -5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.106 -8.879 -3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.177 -7.102 -3.748 1.00 0.00 H new ATOM 696 N GLY A 48 7.774 -6.113 -1.019 1.00 0.00 N ATOM 697 CA GLY A 48 8.909 -5.251 -1.277 1.00 0.00 C ATOM 698 C GLY A 48 9.066 -4.185 -0.216 1.00 0.00 C ATOM 699 O GLY A 48 9.937 -3.314 -0.314 1.00 0.00 O ATOM 0 H GLY A 48 7.996 -6.976 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.817 -5.852 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.790 -4.777 -2.251 1.00 0.00 H new ATOM 703 N VAL A 49 8.221 -4.254 0.804 1.00 0.00 N ATOM 704 CA VAL A 49 8.271 -3.308 1.904 1.00 0.00 C ATOM 705 C VAL A 49 9.581 -3.460 2.661 1.00 0.00 C ATOM 706 O VAL A 49 9.833 -4.487 3.288 1.00 0.00 O ATOM 707 CB VAL A 49 7.087 -3.499 2.877 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.099 -2.426 3.957 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.765 -3.489 2.122 1.00 0.00 C ATOM 0 H VAL A 49 7.490 -4.960 0.890 1.00 0.00 H new ATOM 0 HA VAL A 49 8.202 -2.306 1.480 1.00 0.00 H new ATOM 0 HB VAL A 49 7.196 -4.469 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.257 -2.579 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.030 -2.487 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.019 -1.443 3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.943 -3.625 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.648 -2.536 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.756 -4.299 1.393 1.00 0.00 H new ATOM 719 N HIS A 50 10.418 -2.436 2.586 1.00 0.00 N ATOM 720 CA HIS A 50 11.709 -2.468 3.248 1.00 0.00 C ATOM 721 C HIS A 50 11.535 -2.150 4.722 1.00 0.00 C ATOM 722 O HIS A 50 11.197 -1.029 5.099 1.00 0.00 O ATOM 723 CB HIS A 50 12.676 -1.475 2.598 1.00 0.00 C ATOM 724 CG HIS A 50 13.273 -1.958 1.311 1.00 0.00 C ATOM 725 ND1 HIS A 50 12.538 -2.543 0.300 1.00 0.00 N ATOM 726 CD2 HIS A 50 14.552 -1.927 0.872 1.00 0.00 C ATOM 727 CE1 HIS A 50 13.342 -2.851 -0.701 1.00 0.00 C ATOM 728 NE2 HIS A 50 14.566 -2.487 -0.379 1.00 0.00 N ATOM 0 H HIS A 50 10.225 -1.575 2.074 1.00 0.00 H new ATOM 0 HA HIS A 50 12.132 -3.467 3.145 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.149 -0.539 2.413 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.481 -1.255 3.300 1.00 0.00 H new ATOM 0 HD1 HIS A 50 11.532 -2.711 0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.404 -1.534 1.407 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.046 -3.322 -1.627 1.00 0.00 H new ATOM 737 N TYR A 51 11.735 -3.155 5.547 1.00 0.00 N ATOM 738 CA TYR A 51 11.524 -3.008 6.969 1.00 0.00 C ATOM 739 C TYR A 51 12.824 -2.634 7.656 1.00 0.00 C ATOM 740 O TYR A 51 13.854 -3.262 7.434 1.00 0.00 O ATOM 741 CB TYR A 51 10.973 -4.309 7.553 1.00 0.00 C ATOM 742 CG TYR A 51 9.781 -4.102 8.452 1.00 0.00 C ATOM 743 CD1 TYR A 51 8.501 -4.046 7.921 1.00 0.00 C ATOM 744 CD2 TYR A 51 9.931 -3.959 9.825 1.00 0.00 C ATOM 745 CE1 TYR A 51 7.403 -3.854 8.732 1.00 0.00 C ATOM 746 CE2 TYR A 51 8.838 -3.768 10.643 1.00 0.00 C ATOM 747 CZ TYR A 51 7.576 -3.716 10.093 1.00 0.00 C ATOM 748 OH TYR A 51 6.485 -3.526 10.907 1.00 0.00 O ATOM 0 H TYR A 51 12.044 -4.083 5.256 1.00 0.00 H new ATOM 0 HA TYR A 51 10.799 -2.211 7.137 1.00 0.00 H new ATOM 0 HB2 TYR A 51 10.692 -4.975 6.737 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.761 -4.809 8.116 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.362 -4.155 6.855 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.919 -3.998 10.259 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.412 -3.812 8.304 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.970 -3.660 11.709 1.00 0.00 H new ATOM 0 HH TYR A 51 6.781 -3.449 11.838 1.00 0.00 H new ATOM 758 N SER A 52 12.781 -1.604 8.480 1.00 0.00 N ATOM 759 CA SER A 52 13.944 -1.210 9.257 1.00 0.00 C ATOM 760 C SER A 52 13.848 -1.802 10.660 1.00 0.00 C ATOM 761 O SER A 52 14.457 -1.292 11.602 1.00 0.00 O ATOM 762 CB SER A 52 14.031 0.316 9.318 1.00 0.00 C ATOM 763 OG SER A 52 14.031 0.874 8.012 1.00 0.00 O ATOM 0 H SER A 52 11.955 -1.025 8.629 1.00 0.00 H new ATOM 0 HA SER A 52 14.848 -1.589 8.781 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.189 0.710 9.887 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.938 0.612 9.845 1.00 0.00 H new ATOM 0 HG SER A 52 13.295 1.516 7.930 1.00 0.00 H new ATOM 769 N ASP A 53 13.074 -2.890 10.765 1.00 0.00 N ATOM 770 CA ASP A 53 12.807 -3.596 12.031 1.00 0.00 C ATOM 771 C ASP A 53 11.901 -2.776 12.946 1.00 0.00 C ATOM 772 O ASP A 53 10.907 -3.282 13.470 1.00 0.00 O ATOM 773 CB ASP A 53 14.099 -3.969 12.762 1.00 0.00 C ATOM 774 CG ASP A 53 13.831 -4.792 14.004 1.00 0.00 C ATOM 775 OD1 ASP A 53 13.418 -5.961 13.861 1.00 0.00 O ATOM 776 OD2 ASP A 53 14.034 -4.281 15.124 1.00 0.00 O ATOM 0 H ASP A 53 12.607 -3.313 9.963 1.00 0.00 H new ATOM 0 HA ASP A 53 12.291 -4.520 11.770 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.747 -4.530 12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.635 -3.061 13.038 1.00 0.00 H new ATOM 781 N ASP A 54 12.256 -1.516 13.133 1.00 0.00 N ATOM 782 CA ASP A 54 11.448 -0.584 13.908 1.00 0.00 C ATOM 783 C ASP A 54 10.125 -0.303 13.205 1.00 0.00 C ATOM 784 O ASP A 54 9.052 -0.555 13.753 1.00 0.00 O ATOM 785 CB ASP A 54 12.213 0.725 14.126 1.00 0.00 C ATOM 786 CG ASP A 54 11.345 1.809 14.734 1.00 0.00 C ATOM 787 OD1 ASP A 54 10.953 1.672 15.911 1.00 0.00 O ATOM 788 OD2 ASP A 54 11.060 2.805 14.038 1.00 0.00 O ATOM 0 H ASP A 54 13.111 -1.109 12.753 1.00 0.00 H new ATOM 0 HA ASP A 54 11.236 -1.038 14.876 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.067 0.539 14.778 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.610 1.074 13.172 1.00 0.00 H new ATOM 793 N ARG A 55 10.216 0.217 11.988 1.00 0.00 N ATOM 794 CA ARG A 55 9.039 0.534 11.193 1.00 0.00 C ATOM 795 C ARG A 55 9.278 0.205 9.723 1.00 0.00 C ATOM 796 O ARG A 55 10.423 -0.010 9.308 1.00 0.00 O ATOM 797 CB ARG A 55 8.662 2.015 11.345 1.00 0.00 C ATOM 798 CG ARG A 55 7.990 2.338 12.661 1.00 0.00 C ATOM 799 CD ARG A 55 7.478 3.763 12.694 1.00 0.00 C ATOM 800 NE ARG A 55 6.641 3.993 13.863 1.00 0.00 N ATOM 801 CZ ARG A 55 5.691 4.919 13.933 1.00 0.00 C ATOM 802 NH1 ARG A 55 5.509 5.765 12.929 1.00 0.00 N ATOM 803 NH2 ARG A 55 4.938 5.013 15.021 1.00 0.00 N ATOM 0 H ARG A 55 11.101 0.429 11.528 1.00 0.00 H new ATOM 0 HA ARG A 55 8.212 -0.075 11.559 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.562 2.622 11.248 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.997 2.298 10.529 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.161 1.650 12.825 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.696 2.186 13.477 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.320 4.455 12.704 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.907 3.969 11.788 1.00 0.00 H new ATOM 0 HE ARG A 55 6.794 3.405 14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.099 5.706 12.099 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.779 6.475 12.986 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.089 4.375 15.802 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.208 5.723 15.076 1.00 0.00 H new ATOM 817 N PRO A 56 8.201 0.135 8.925 1.00 0.00 N ATOM 818 CA PRO A 56 8.285 -0.084 7.483 1.00 0.00 C ATOM 819 C PRO A 56 8.648 1.198 6.743 1.00 0.00 C ATOM 820 O PRO A 56 8.124 2.269 7.046 1.00 0.00 O ATOM 821 CB PRO A 56 6.867 -0.543 7.093 1.00 0.00 C ATOM 822 CG PRO A 56 6.074 -0.596 8.364 1.00 0.00 C ATOM 823 CD PRO A 56 6.804 0.255 9.361 1.00 0.00 C ATOM 0 HA PRO A 56 9.058 -0.808 7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.416 0.150 6.383 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.894 -1.520 6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.062 -0.224 8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.984 -1.622 8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.460 1.289 9.339 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.665 -0.106 10.380 1.00 0.00 H new ATOM 831 N HIS A 57 9.557 1.090 5.787 1.00 0.00 N ATOM 832 CA HIS A 57 9.950 2.233 4.976 1.00 0.00 C ATOM 833 C HIS A 57 9.886 1.878 3.498 1.00 0.00 C ATOM 834 O HIS A 57 10.506 0.915 3.044 1.00 0.00 O ATOM 835 CB HIS A 57 11.354 2.720 5.349 1.00 0.00 C ATOM 836 CG HIS A 57 11.418 3.410 6.676 1.00 0.00 C ATOM 837 ND1 HIS A 57 11.608 2.917 7.921 1.00 0.00 N flip ATOM 838 CD2 HIS A 57 11.265 4.770 6.824 1.00 0.00 C flip ATOM 839 CE1 HIS A 57 11.565 3.980 8.787 1.00 0.00 C flip ATOM 840 NE2 HIS A 57 11.357 5.086 8.100 1.00 0.00 N flip ATOM 0 H HIS A 57 10.038 0.221 5.553 1.00 0.00 H new ATOM 0 HA HIS A 57 9.250 3.045 5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 57 12.034 1.868 5.359 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.709 3.402 4.577 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.096 5.470 6.019 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.683 3.921 9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.280 6.026 8.490 1.00 0.00 H new ATOM 849 N LEU A 58 9.119 2.654 2.754 1.00 0.00 N ATOM 850 CA LEU A 58 8.946 2.412 1.333 1.00 0.00 C ATOM 851 C LEU A 58 10.047 3.091 0.538 1.00 0.00 C ATOM 852 O LEU A 58 9.901 4.234 0.128 1.00 0.00 O ATOM 853 CB LEU A 58 7.576 2.908 0.863 1.00 0.00 C ATOM 854 CG LEU A 58 6.373 2.237 1.531 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.068 2.820 1.005 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.413 0.732 1.309 1.00 0.00 C ATOM 0 H LEU A 58 8.605 3.459 3.111 1.00 0.00 H new ATOM 0 HA LEU A 58 9.004 1.337 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.517 3.982 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.503 2.758 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 58 6.425 2.431 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.227 2.328 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.036 3.889 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.006 2.661 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.551 0.270 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.388 0.521 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.329 0.325 1.738 1.00 0.00 H new ATOM 868 N TYR A 59 11.162 2.395 0.361 1.00 0.00 N ATOM 869 CA TYR A 59 12.258 2.913 -0.450 1.00 0.00 C ATOM 870 C TYR A 59 11.880 2.887 -1.928 1.00 0.00 C ATOM 871 O TYR A 59 10.892 2.262 -2.306 1.00 0.00 O ATOM 872 CB TYR A 59 13.547 2.119 -0.199 1.00 0.00 C ATOM 873 CG TYR A 59 14.194 2.427 1.136 1.00 0.00 C ATOM 874 CD1 TYR A 59 14.846 3.635 1.346 1.00 0.00 C ATOM 875 CD2 TYR A 59 14.153 1.516 2.182 1.00 0.00 C ATOM 876 CE1 TYR A 59 15.439 3.925 2.561 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.742 1.797 3.400 1.00 0.00 C ATOM 878 CZ TYR A 59 15.385 3.003 3.584 1.00 0.00 C ATOM 879 OH TYR A 59 15.980 3.283 4.797 1.00 0.00 O ATOM 0 H TYR A 59 11.332 1.474 0.766 1.00 0.00 H new ATOM 0 HA TYR A 59 12.443 3.947 -0.160 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.324 1.053 -0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.258 2.333 -0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.891 4.360 0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.651 0.570 2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.942 4.869 2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.699 1.076 4.203 1.00 0.00 H new ATOM 0 HH TYR A 59 15.848 2.528 5.408 1.00 0.00 H new ATOM 889 N LYS A 60 12.670 3.562 -2.754 1.00 0.00 N ATOM 890 CA LYS A 60 12.326 3.768 -4.159 1.00 0.00 C ATOM 891 C LYS A 60 12.219 2.443 -4.917 1.00 0.00 C ATOM 892 O LYS A 60 11.255 2.217 -5.649 1.00 0.00 O ATOM 893 CB LYS A 60 13.357 4.688 -4.816 1.00 0.00 C ATOM 894 CG LYS A 60 13.623 5.949 -4.009 1.00 0.00 C ATOM 895 CD LYS A 60 14.547 6.908 -4.737 1.00 0.00 C ATOM 896 CE LYS A 60 13.808 7.681 -5.818 1.00 0.00 C ATOM 897 NZ LYS A 60 12.684 8.483 -5.258 1.00 0.00 N ATOM 0 H LYS A 60 13.558 3.979 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 60 11.345 4.242 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.292 4.143 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.007 4.966 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.678 6.448 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.064 5.679 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.984 7.606 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.371 6.352 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.505 8.343 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.422 6.985 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.527 9.322 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.820 7.905 -5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.920 8.783 -4.290 1.00 0.00 H new ATOM 911 N LEU A 61 13.201 1.566 -4.741 1.00 0.00 N ATOM 912 CA LEU A 61 13.173 0.264 -5.394 1.00 0.00 C ATOM 913 C LEU A 61 12.810 -0.819 -4.388 1.00 0.00 C ATOM 914 O LEU A 61 13.575 -1.108 -3.468 1.00 0.00 O ATOM 915 CB LEU A 61 14.521 -0.072 -6.053 1.00 0.00 C ATOM 916 CG LEU A 61 14.886 0.735 -7.309 1.00 0.00 C ATOM 917 CD1 LEU A 61 13.740 0.724 -8.309 1.00 0.00 C ATOM 918 CD2 LEU A 61 15.277 2.161 -6.954 1.00 0.00 C ATOM 0 H LEU A 61 14.020 1.731 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 61 12.416 0.306 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.309 0.072 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.519 -1.130 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 61 15.750 0.258 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.020 1.301 -9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.523 -0.303 -8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.854 1.166 -7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.530 2.706 -7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.442 2.654 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.140 2.147 -6.288 1.00 0.00 H new ATOM 930 N GLY A 62 11.642 -1.415 -4.560 1.00 0.00 N ATOM 931 CA GLY A 62 11.212 -2.454 -3.648 1.00 0.00 C ATOM 932 C GLY A 62 9.715 -2.698 -3.680 1.00 0.00 C ATOM 933 O GLY A 62 9.287 -3.795 -4.021 1.00 0.00 O ATOM 0 H GLY A 62 10.986 -1.200 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.730 -3.381 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.508 -2.183 -2.634 1.00 0.00 H new ATOM 937 N PRO A 63 8.896 -1.692 -3.310 1.00 0.00 N ATOM 938 CA PRO A 63 7.431 -1.828 -3.259 1.00 0.00 C ATOM 939 C PRO A 63 6.829 -2.375 -4.552 1.00 0.00 C ATOM 940 O PRO A 63 6.926 -1.761 -5.617 1.00 0.00 O ATOM 941 CB PRO A 63 6.949 -0.399 -3.004 1.00 0.00 C ATOM 942 CG PRO A 63 8.084 0.255 -2.302 1.00 0.00 C ATOM 943 CD PRO A 63 9.328 -0.343 -2.894 1.00 0.00 C ATOM 0 HA PRO A 63 7.125 -2.543 -2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.711 0.112 -3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.045 -0.387 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.063 1.335 -2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.036 0.075 -1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.691 0.241 -3.740 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.138 -0.387 -2.166 1.00 0.00 H new ATOM 951 N GLU A 64 6.216 -3.543 -4.440 1.00 0.00 N ATOM 952 CA GLU A 64 5.550 -4.187 -5.559 1.00 0.00 C ATOM 953 C GLU A 64 4.144 -4.593 -5.147 1.00 0.00 C ATOM 954 O GLU A 64 3.849 -4.706 -3.957 1.00 0.00 O ATOM 955 CB GLU A 64 6.332 -5.429 -6.001 1.00 0.00 C ATOM 956 CG GLU A 64 7.746 -5.141 -6.472 1.00 0.00 C ATOM 957 CD GLU A 64 8.557 -6.405 -6.678 1.00 0.00 C ATOM 958 OE1 GLU A 64 8.460 -7.013 -7.763 1.00 0.00 O ATOM 959 OE2 GLU A 64 9.301 -6.799 -5.760 1.00 0.00 O ATOM 0 H GLU A 64 6.167 -4.071 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 64 5.502 -3.486 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.375 -6.132 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.786 -5.920 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.707 -4.581 -7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.247 -4.507 -5.741 1.00 0.00 H new ATOM 966 N LEU A 65 3.281 -4.815 -6.122 1.00 0.00 N ATOM 967 CA LEU A 65 1.926 -5.259 -5.845 1.00 0.00 C ATOM 968 C LEU A 65 1.776 -6.730 -6.206 1.00 0.00 C ATOM 969 O LEU A 65 2.423 -7.216 -7.134 1.00 0.00 O ATOM 970 CB LEU A 65 0.893 -4.431 -6.621 1.00 0.00 C ATOM 971 CG LEU A 65 0.659 -2.996 -6.122 1.00 0.00 C ATOM 972 CD1 LEU A 65 1.834 -2.085 -6.463 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.634 -2.444 -6.704 1.00 0.00 C ATOM 0 H LEU A 65 3.494 -4.695 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 65 1.742 -5.121 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.206 -4.384 -7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.059 -4.961 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 65 0.574 -3.027 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.633 -1.079 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.740 -2.469 -5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.970 -2.055 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.790 -1.427 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.570 -2.438 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.470 -3.071 -6.393 1.00 0.00 H new ATOM 985 N THR A 66 0.933 -7.440 -5.474 1.00 0.00 N ATOM 986 CA THR A 66 0.665 -8.834 -5.776 1.00 0.00 C ATOM 987 C THR A 66 -0.537 -8.938 -6.703 1.00 0.00 C ATOM 988 O THR A 66 -1.232 -7.947 -6.937 1.00 0.00 O ATOM 989 CB THR A 66 0.378 -9.654 -4.502 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.807 -9.165 -3.860 1.00 0.00 O ATOM 991 CG2 THR A 66 1.548 -9.588 -3.532 1.00 0.00 C ATOM 0 H THR A 66 0.425 -7.074 -4.669 1.00 0.00 H new ATOM 0 HA THR A 66 1.556 -9.240 -6.255 1.00 0.00 H new ATOM 0 HB THR A 66 0.232 -10.693 -4.796 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.757 -9.346 -2.898 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.317 -10.175 -2.643 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.441 -9.990 -4.011 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.725 -8.551 -3.246 1.00 0.00 H new ATOM 999 N GLU A 67 -0.787 -10.131 -7.222 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.968 -10.375 -8.038 1.00 0.00 C ATOM 1001 C GLU A 67 -3.220 -10.203 -7.190 1.00 0.00 C ATOM 1002 O GLU A 67 -4.275 -9.810 -7.690 1.00 0.00 O ATOM 1003 CB GLU A 67 -1.934 -11.779 -8.650 1.00 0.00 C ATOM 1004 CG GLU A 67 -0.946 -11.942 -9.800 1.00 0.00 C ATOM 1005 CD GLU A 67 0.486 -11.646 -9.412 1.00 0.00 C ATOM 1006 OE1 GLU A 67 0.970 -12.216 -8.411 1.00 0.00 O ATOM 1007 OE2 GLU A 67 1.132 -10.827 -10.099 1.00 0.00 O ATOM 0 H GLU A 67 -0.188 -10.946 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.980 -9.652 -8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.684 -12.497 -7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.933 -12.031 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.008 -12.962 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.237 -11.280 -10.615 1.00 0.00 H new ATOM 1014 N LYS A 68 -3.083 -10.485 -5.899 1.00 0.00 N ATOM 1015 CA LYS A 68 -4.169 -10.296 -4.948 1.00 0.00 C ATOM 1016 C LYS A 68 -4.539 -8.821 -4.875 1.00 0.00 C ATOM 1017 O LYS A 68 -5.712 -8.465 -4.932 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.755 -10.803 -3.561 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.867 -10.755 -2.527 1.00 0.00 C ATOM 1020 CD LYS A 68 -4.389 -11.192 -1.145 1.00 0.00 C ATOM 1021 CE LYS A 68 -3.972 -12.660 -1.106 1.00 0.00 C ATOM 1022 NZ LYS A 68 -2.556 -12.871 -1.519 1.00 0.00 N ATOM 0 H LYS A 68 -2.224 -10.848 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.035 -10.866 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.402 -11.830 -3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.915 -10.207 -3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.263 -9.741 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.686 -11.399 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.546 -10.570 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.185 -11.025 -0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.112 -13.046 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.626 -13.236 -1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.531 -13.335 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.071 -11.953 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.076 -13.473 -0.819 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.521 -7.971 -4.765 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.745 -6.537 -4.694 1.00 0.00 C ATOM 1038 C GLY A 69 -4.153 -5.945 -6.029 1.00 0.00 C ATOM 1039 O GLY A 69 -4.983 -5.039 -6.085 1.00 0.00 O ATOM 0 H GLY A 69 -2.541 -8.251 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.520 -6.330 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.835 -6.047 -4.346 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.573 -6.464 -7.103 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.883 -5.995 -8.450 1.00 0.00 C ATOM 1045 C GLU A 70 -5.354 -6.252 -8.765 1.00 0.00 C ATOM 1046 O GLU A 70 -6.071 -5.356 -9.208 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.979 -6.697 -9.473 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.743 -5.909 -10.757 1.00 0.00 C ATOM 1049 CD GLU A 70 -3.994 -5.722 -11.597 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -4.646 -6.732 -11.942 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -4.330 -4.563 -11.918 1.00 0.00 O ATOM 0 H GLU A 70 -2.882 -7.213 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.699 -4.922 -8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.016 -6.903 -9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.421 -7.660 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.337 -4.930 -10.503 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.989 -6.421 -11.354 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.809 -7.474 -8.518 1.00 0.00 N ATOM 1059 CA ASN A 71 -7.208 -7.815 -8.744 1.00 0.00 C ATOM 1060 C ASN A 71 -8.096 -7.133 -7.709 1.00 0.00 C ATOM 1061 O ASN A 71 -9.271 -6.873 -7.962 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.422 -9.334 -8.718 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.930 -10.019 -9.983 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -7.666 -10.138 -10.965 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -5.687 -10.482 -9.971 1.00 0.00 N ATOM 0 H ASN A 71 -5.235 -8.240 -8.164 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.485 -7.455 -9.735 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.903 -9.755 -7.857 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.483 -9.545 -8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.311 -10.955 -10.793 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.107 -10.365 -9.140 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.519 -6.829 -6.549 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.229 -6.114 -5.495 1.00 0.00 C ATOM 1074 C TYR A 72 -8.618 -4.727 -5.984 1.00 0.00 C ATOM 1075 O TYR A 72 -9.717 -4.247 -5.704 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.351 -6.009 -4.244 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.092 -5.613 -2.986 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.085 -6.428 -2.467 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -7.779 -4.441 -2.306 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -9.751 -6.091 -1.308 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.446 -4.094 -1.144 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.431 -4.924 -0.651 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.087 -4.602 0.516 1.00 0.00 O ATOM 0 H TYR A 72 -6.556 -7.069 -6.316 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.134 -6.665 -5.239 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.864 -6.970 -4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.562 -5.280 -4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.342 -7.343 -2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.005 -3.793 -2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.521 -6.740 -0.917 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.197 -3.179 -0.627 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.729 -5.309 0.736 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.708 -4.100 -6.735 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.955 -2.791 -7.336 1.00 0.00 C ATOM 1095 C LEU A 73 -9.235 -2.815 -8.162 1.00 0.00 C ATOM 1096 O LEU A 73 -10.035 -1.888 -8.108 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.780 -2.376 -8.228 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.445 -2.168 -7.509 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -4.320 -1.998 -8.519 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.515 -0.956 -6.594 1.00 0.00 C ATOM 0 H LEU A 73 -6.786 -4.484 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.063 -2.066 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.644 -3.137 -8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.045 -1.451 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.241 -3.050 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.377 -1.851 -7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.252 -2.890 -9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.523 -1.131 -9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.557 -0.824 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.741 -0.068 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.297 -1.106 -5.850 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.426 -3.896 -8.903 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.604 -4.055 -9.746 1.00 0.00 C ATOM 1114 C LYS A 74 -11.873 -4.168 -8.904 1.00 0.00 C ATOM 1115 O LYS A 74 -12.943 -3.722 -9.320 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.446 -5.288 -10.636 1.00 0.00 C ATOM 1117 CG LYS A 74 -9.337 -5.146 -11.662 1.00 0.00 C ATOM 1118 CD LYS A 74 -9.065 -6.453 -12.384 1.00 0.00 C ATOM 1119 CE LYS A 74 -8.091 -6.253 -13.533 1.00 0.00 C ATOM 1120 NZ LYS A 74 -6.809 -5.642 -13.090 1.00 0.00 N ATOM 0 H LYS A 74 -8.776 -4.682 -8.938 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.697 -3.169 -10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.244 -6.157 -10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.387 -5.479 -11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.610 -4.380 -12.388 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.426 -4.807 -11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.659 -7.182 -11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.001 -6.863 -12.764 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.888 -7.214 -14.005 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.551 -5.617 -14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.198 -5.479 -13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.001 -4.736 -12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.330 -6.284 -12.426 1.00 0.00 H new ATOM 1134 N GLU A 75 -11.744 -4.752 -7.719 1.00 0.00 N ATOM 1135 CA GLU A 75 -12.882 -4.937 -6.826 1.00 0.00 C ATOM 1136 C GLU A 75 -13.245 -3.631 -6.125 1.00 0.00 C ATOM 1137 O GLU A 75 -14.333 -3.088 -6.315 1.00 0.00 O ATOM 1138 CB GLU A 75 -12.567 -5.998 -5.771 1.00 0.00 C ATOM 1139 CG GLU A 75 -12.083 -7.318 -6.345 1.00 0.00 C ATOM 1140 CD GLU A 75 -11.820 -8.354 -5.274 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -10.785 -8.260 -4.581 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -12.651 -9.272 -5.115 1.00 0.00 O ATOM 0 H GLU A 75 -10.860 -5.107 -7.353 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.727 -5.263 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.807 -5.608 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.461 -6.179 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.828 -7.702 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.169 -7.149 -6.915 1.00 0.00 H new ATOM 1149 N ASN A 76 -12.316 -3.124 -5.324 1.00 0.00 N ATOM 1150 CA ASN A 76 -12.569 -1.937 -4.505 1.00 0.00 C ATOM 1151 C ASN A 76 -12.424 -0.653 -5.321 1.00 0.00 C ATOM 1152 O ASN A 76 -12.526 0.448 -4.784 1.00 0.00 O ATOM 1153 CB ASN A 76 -11.649 -1.912 -3.270 1.00 0.00 C ATOM 1154 CG ASN A 76 -10.208 -1.491 -3.541 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -9.699 -1.736 -4.739 1.00 0.00 O flip ATOM 1156 ND2 ASN A 76 -9.546 -0.954 -2.660 1.00 0.00 N flip ATOM 0 H ASN A 76 -11.379 -3.514 -5.222 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.601 -1.992 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.076 -1.233 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -11.642 -2.906 -2.822 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.962 -0.777 -1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.579 -0.685 -2.841 1.00 0.00 H new ATOM 1163 N GLY A 77 -12.205 -0.809 -6.627 1.00 0.00 N ATOM 1164 CA GLY A 77 -11.999 0.326 -7.514 1.00 0.00 C ATOM 1165 C GLY A 77 -13.191 1.262 -7.603 1.00 0.00 C ATOM 1166 O GLY A 77 -13.104 2.320 -8.227 1.00 0.00 O ATOM 0 H GLY A 77 -12.166 -1.716 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.132 0.890 -7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.764 -0.044 -8.512 1.00 0.00 H new ATOM 1170 N THR A 78 -14.306 0.871 -6.998 1.00 0.00 N ATOM 1171 CA THR A 78 -15.481 1.723 -6.953 1.00 0.00 C ATOM 1172 C THR A 78 -15.258 2.901 -5.997 1.00 0.00 C ATOM 1173 O THR A 78 -15.418 4.046 -6.402 1.00 0.00 O ATOM 1174 CB THR A 78 -16.754 0.925 -6.566 1.00 0.00 C ATOM 1175 OG1 THR A 78 -17.848 1.817 -6.303 1.00 0.00 O ATOM 1176 CG2 THR A 78 -16.511 0.029 -5.357 1.00 0.00 C ATOM 0 H THR A 78 -14.418 -0.030 -6.533 1.00 0.00 H new ATOM 0 HA THR A 78 -15.641 2.119 -7.956 1.00 0.00 H new ATOM 0 HB THR A 78 -17.008 0.287 -7.413 1.00 0.00 H new ATOM 0 HG1 THR A 78 -18.643 1.297 -6.062 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.425 -0.513 -5.117 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.717 -0.682 -5.585 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.217 0.641 -4.504 1.00 0.00 H new ATOM 1184 N TRP A 79 -14.866 2.593 -4.749 1.00 0.00 N ATOM 1185 CA TRP A 79 -14.568 3.589 -3.697 1.00 0.00 C ATOM 1186 C TRP A 79 -15.389 4.878 -3.854 1.00 0.00 C ATOM 1187 O TRP A 79 -14.832 5.974 -3.959 1.00 0.00 O ATOM 1188 CB TRP A 79 -13.064 3.903 -3.688 1.00 0.00 C ATOM 1189 CG TRP A 79 -12.532 4.286 -2.332 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -12.594 3.538 -1.187 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -11.839 5.493 -1.979 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -11.991 4.207 -0.150 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -11.519 5.407 -0.610 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -11.453 6.636 -2.687 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -10.844 6.423 0.063 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -10.782 7.641 -2.017 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -10.483 7.527 -0.656 1.00 0.00 C ATOM 0 H TRP A 79 -14.744 1.630 -4.434 1.00 0.00 H new ATOM 0 HA TRP A 79 -14.856 3.151 -2.741 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.518 3.032 -4.049 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.868 4.715 -4.388 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -13.051 2.563 -1.110 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -11.908 3.865 0.807 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -11.676 6.731 -3.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -10.614 6.341 1.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.484 8.529 -2.554 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.955 8.329 -0.162 1.00 0.00 H new ATOM 1208 N SER A 80 -16.715 4.726 -3.865 1.00 0.00 N ATOM 1209 CA SER A 80 -17.643 5.835 -4.082 1.00 0.00 C ATOM 1210 C SER A 80 -17.520 6.390 -5.510 1.00 0.00 C ATOM 1211 O SER A 80 -18.258 5.966 -6.405 1.00 0.00 O ATOM 1212 CB SER A 80 -17.433 6.946 -3.042 1.00 0.00 C ATOM 1213 OG SER A 80 -18.409 7.969 -3.171 1.00 0.00 O ATOM 0 H SER A 80 -17.176 3.827 -3.723 1.00 0.00 H new ATOM 0 HA SER A 80 -18.654 5.448 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.480 6.521 -2.039 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.438 7.374 -3.161 1.00 0.00 H new ATOM 0 HG SER A 80 -18.250 8.660 -2.495 1.00 0.00 H new ATOM 1219 N LYS A 81 -16.584 7.326 -5.710 1.00 0.00 N ATOM 1220 CA LYS A 81 -16.367 7.982 -7.009 1.00 0.00 C ATOM 1221 C LYS A 81 -17.643 8.640 -7.541 1.00 0.00 C ATOM 1222 O LYS A 81 -17.769 8.885 -8.743 1.00 0.00 O ATOM 1223 CB LYS A 81 -15.820 6.988 -8.041 1.00 0.00 C ATOM 1224 CG LYS A 81 -14.406 6.503 -7.744 1.00 0.00 C ATOM 1225 CD LYS A 81 -13.378 7.615 -7.875 1.00 0.00 C ATOM 1226 CE LYS A 81 -11.974 7.102 -7.590 1.00 0.00 C ATOM 1227 NZ LYS A 81 -10.936 8.131 -7.855 1.00 0.00 N ATOM 0 H LYS A 81 -15.954 7.651 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.629 8.767 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -16.486 6.127 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.833 7.457 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.369 6.093 -6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.151 5.692 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.418 8.034 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.621 8.422 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.910 6.783 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.778 6.224 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.996 7.737 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.978 8.418 -8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.106 8.959 -7.250 1.00 0.00 H new ATOM 1241 N ALA A 82 -18.570 8.945 -6.642 1.00 0.00 N ATOM 1242 CA ALA A 82 -19.823 9.586 -7.018 1.00 0.00 C ATOM 1243 C ALA A 82 -19.755 11.080 -6.732 1.00 0.00 C ATOM 1244 O ALA A 82 -18.693 11.579 -6.361 1.00 0.00 O ATOM 1245 CB ALA A 82 -20.988 8.947 -6.274 1.00 0.00 C ATOM 0 H ALA A 82 -18.477 8.758 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 82 -19.983 9.447 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -21.918 9.436 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -21.042 7.887 -6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -20.839 9.060 -5.200 1.00 0.00 H new TER 1251 ALA A 82