USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 619 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 23 SER OG : rot 180:sc= -0.472 USER MOD Set 1.2: A 27 LYS NZ :NH3+ 161:sc= -0.55 (180deg=-0.634) USER MOD Single : A 20 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.002) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.2!) USER MOD Single : A 37 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.1!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-3.6!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 135:sc= -0.406 (180deg=-3.02!) USER MOD Single : A 57 CYS SG : rot -32:sc= 0.488 USER MOD Single : A 60 HIS : no HD1:sc= -0.992 K(o=-0.99,f=-3.6!) USER MOD Single : A 71 LYS NZ :NH3+ 138:sc= -1.25 (180deg=-3.34!) USER MOD Single : A 72 TYR OH : rot 29:sc= 0.372 USER MOD Single : A 85 GLN : amide:sc= -0.0685 X(o=-0.069,f=0) USER MOD Single : A 86 MET CE :methyl 146:sc= -0.0189 (180deg=-0.311) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-0.87) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.464 F(o=-1.3,f=-0.46) USER MOD Single : A 96 LYS NZ :NH3+ 136:sc= -2.18! (180deg=-5.65!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.98) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 102 GLN : amide:sc= -0.062 X(o=-0.062,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 12.288 -0.471 -8.068 1.00 0.00 N ATOM 109 CA HIS A 20 11.384 0.488 -8.728 1.00 0.00 C ATOM 110 C HIS A 20 10.078 0.611 -7.928 1.00 0.00 C ATOM 111 O HIS A 20 9.573 1.710 -7.711 1.00 0.00 O ATOM 112 CB HIS A 20 11.093 0.011 -10.172 1.00 0.00 C ATOM 113 CG HIS A 20 10.298 1.063 -10.909 1.00 0.00 C ATOM 114 ND1 HIS A 20 10.894 1.962 -11.777 1.00 0.00 N ATOM 115 CD2 HIS A 20 8.974 1.406 -10.862 1.00 0.00 C ATOM 116 CE1 HIS A 20 9.936 2.799 -12.211 1.00 0.00 C ATOM 117 NE2 HIS A 20 8.745 2.502 -11.684 1.00 0.00 N ATOM 0 HA HIS A 20 11.858 1.469 -8.768 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.029 -0.184 -10.696 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.539 -0.927 -10.150 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.221 0.901 -10.275 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.108 3.612 -12.901 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.858 2.978 -11.850 1.00 0.00 H new ATOM 125 N MET A 21 9.527 -0.540 -7.519 1.00 0.00 N ATOM 126 CA MET A 21 8.260 -0.581 -6.772 1.00 0.00 C ATOM 127 C MET A 21 8.396 0.095 -5.404 1.00 0.00 C ATOM 128 O MET A 21 7.696 1.067 -5.106 1.00 0.00 O ATOM 129 CB MET A 21 7.822 -2.059 -6.588 1.00 0.00 C ATOM 130 CG MET A 21 7.577 -2.750 -7.956 1.00 0.00 C ATOM 131 SD MET A 21 6.144 -2.002 -8.784 1.00 0.00 S ATOM 132 CE MET A 21 6.040 -3.160 -10.161 1.00 0.00 C ATOM 0 H MET A 21 9.939 -1.457 -7.693 1.00 0.00 H new ATOM 0 HA MET A 21 7.506 -0.036 -7.341 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.590 -2.602 -6.036 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.912 -2.099 -5.990 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.462 -2.653 -8.585 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.406 -3.816 -7.808 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.209 -2.881 -10.809 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.969 -3.133 -10.730 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.879 -4.168 -9.778 1.00 0.00 H new ATOM 142 N ALA A 22 9.286 -0.441 -4.562 1.00 0.00 N ATOM 143 CA ALA A 22 9.497 0.101 -3.211 1.00 0.00 C ATOM 144 C ALA A 22 9.853 1.591 -3.280 1.00 0.00 C ATOM 145 O ALA A 22 9.314 2.404 -2.527 1.00 0.00 O ATOM 146 CB ALA A 22 10.628 -0.680 -2.514 1.00 0.00 C ATOM 0 H ALA A 22 9.870 -1.246 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 22 8.576 -0.007 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.784 -0.278 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.354 -1.733 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.547 -0.582 -3.092 1.00 0.00 H new ATOM 152 N SER A 23 10.755 1.940 -4.211 1.00 0.00 N ATOM 153 CA SER A 23 11.177 3.335 -4.393 1.00 0.00 C ATOM 154 C SER A 23 9.980 4.223 -4.706 1.00 0.00 C ATOM 155 O SER A 23 9.859 5.319 -4.172 1.00 0.00 O ATOM 156 CB SER A 23 12.188 3.435 -5.548 1.00 0.00 C ATOM 157 OG SER A 23 12.508 4.803 -5.775 1.00 0.00 O ATOM 0 H SER A 23 11.203 1.279 -4.845 1.00 0.00 H new ATOM 0 HA SER A 23 11.641 3.671 -3.466 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.091 2.874 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.770 2.992 -6.452 1.00 0.00 H new ATOM 0 HG SER A 23 13.153 4.870 -6.509 1.00 0.00 H new ATOM 163 N LYS A 24 9.094 3.736 -5.580 1.00 0.00 N ATOM 164 CA LYS A 24 7.906 4.500 -5.970 1.00 0.00 C ATOM 165 C LYS A 24 7.033 4.791 -4.747 1.00 0.00 C ATOM 166 O LYS A 24 6.493 5.886 -4.604 1.00 0.00 O ATOM 167 CB LYS A 24 7.085 3.714 -7.027 1.00 0.00 C ATOM 168 CG LYS A 24 5.924 4.591 -7.581 1.00 0.00 C ATOM 169 CD LYS A 24 5.129 3.828 -8.668 1.00 0.00 C ATOM 170 CE LYS A 24 3.999 4.723 -9.222 1.00 0.00 C ATOM 171 NZ LYS A 24 3.261 3.967 -10.256 1.00 0.00 N ATOM 0 H LYS A 24 9.176 2.823 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 24 8.232 5.445 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.736 3.404 -7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.681 2.806 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.256 4.874 -6.767 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.327 5.514 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.797 3.529 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.708 2.914 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.325 5.022 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.414 5.637 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.496 4.558 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.911 3.703 -11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.856 3.107 -9.834 1.00 0.00 H new ATOM 185 N ARG A 25 6.882 3.788 -3.885 1.00 0.00 N ATOM 186 CA ARG A 25 6.060 3.927 -2.683 1.00 0.00 C ATOM 187 C ARG A 25 6.704 4.925 -1.716 1.00 0.00 C ATOM 188 O ARG A 25 6.009 5.705 -1.063 1.00 0.00 O ATOM 189 CB ARG A 25 5.895 2.550 -2.002 1.00 0.00 C ATOM 190 CG ARG A 25 4.933 2.649 -0.776 1.00 0.00 C ATOM 191 CD ARG A 25 4.751 1.278 -0.127 1.00 0.00 C ATOM 192 NE ARG A 25 3.867 1.405 1.036 1.00 0.00 N ATOM 193 CZ ARG A 25 3.503 0.346 1.759 1.00 0.00 C ATOM 194 NH1 ARG A 25 3.933 -0.845 1.431 1.00 0.00 N ATOM 195 NH2 ARG A 25 2.721 0.499 2.789 1.00 0.00 N ATOM 0 H ARG A 25 7.317 2.872 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 25 5.076 4.303 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.504 1.829 -2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.868 2.181 -1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.335 3.353 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.966 3.038 -1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.327 0.576 -0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.717 0.877 0.178 1.00 0.00 H new ATOM 0 HE ARG A 25 3.522 2.328 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.545 -0.962 0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.656 -1.657 1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.387 1.429 3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.442 -0.311 3.342 1.00 0.00 H new ATOM 209 N ASP A 26 8.036 4.854 -1.605 1.00 0.00 N ATOM 210 CA ASP A 26 8.794 5.715 -0.686 1.00 0.00 C ATOM 211 C ASP A 26 8.565 7.187 -1.017 1.00 0.00 C ATOM 212 O ASP A 26 8.466 8.020 -0.117 1.00 0.00 O ATOM 213 CB ASP A 26 10.306 5.386 -0.781 1.00 0.00 C ATOM 214 CG ASP A 26 10.566 3.936 -0.355 1.00 0.00 C ATOM 215 OD1 ASP A 26 9.975 3.519 0.627 1.00 0.00 O ATOM 216 OD2 ASP A 26 11.350 3.270 -1.011 1.00 0.00 O ATOM 0 H ASP A 26 8.614 4.207 -2.142 1.00 0.00 H new ATOM 0 HA ASP A 26 8.446 5.528 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.654 5.540 -1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.873 6.066 -0.145 1.00 0.00 H new ATOM 221 N LYS A 27 8.474 7.497 -2.316 1.00 0.00 N ATOM 222 CA LYS A 27 8.254 8.878 -2.763 1.00 0.00 C ATOM 223 C LYS A 27 6.953 9.425 -2.189 1.00 0.00 C ATOM 224 O LYS A 27 6.928 10.515 -1.637 1.00 0.00 O ATOM 225 CB LYS A 27 8.182 8.912 -4.315 1.00 0.00 C ATOM 226 CG LYS A 27 9.578 8.665 -4.939 1.00 0.00 C ATOM 227 CD LYS A 27 9.492 8.655 -6.490 1.00 0.00 C ATOM 228 CE LYS A 27 10.902 8.486 -7.092 1.00 0.00 C ATOM 229 NZ LYS A 27 11.480 7.207 -6.597 1.00 0.00 N ATOM 0 H LYS A 27 8.549 6.816 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 27 9.081 9.495 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.483 8.154 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.798 9.878 -4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.270 9.442 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.977 7.714 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.845 7.843 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.045 9.584 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.850 8.481 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.538 9.324 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.262 6.917 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.836 7.339 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.746 6.471 -6.598 1.00 0.00 H new ATOM 243 N ILE A 28 5.872 8.656 -2.302 1.00 0.00 N ATOM 244 CA ILE A 28 4.573 9.102 -1.789 1.00 0.00 C ATOM 245 C ILE A 28 4.695 9.431 -0.296 1.00 0.00 C ATOM 246 O ILE A 28 4.315 10.509 0.137 1.00 0.00 O ATOM 247 CB ILE A 28 3.503 7.987 -2.012 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.440 7.610 -3.535 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.102 8.482 -1.524 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.541 6.378 -3.763 1.00 0.00 C ATOM 0 H ILE A 28 5.865 7.734 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 28 4.261 9.998 -2.325 1.00 0.00 H new ATOM 0 HB ILE A 28 3.783 7.104 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.057 8.455 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.445 7.405 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.363 7.697 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.151 8.723 -0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.814 9.371 -2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.515 6.138 -4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.941 5.528 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.531 6.595 -3.415 1.00 0.00 H new ATOM 262 N ALA A 29 5.231 8.481 0.471 1.00 0.00 N ATOM 263 CA ALA A 29 5.395 8.663 1.921 1.00 0.00 C ATOM 264 C ALA A 29 6.226 9.919 2.226 1.00 0.00 C ATOM 265 O ALA A 29 5.834 10.758 3.047 1.00 0.00 O ATOM 266 CB ALA A 29 6.076 7.413 2.524 1.00 0.00 C ATOM 0 H ALA A 29 5.558 7.581 0.119 1.00 0.00 H new ATOM 0 HA ALA A 29 4.411 8.793 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.198 7.548 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.457 6.535 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.054 7.273 2.063 1.00 0.00 H new ATOM 272 N ASP A 30 7.365 10.034 1.537 1.00 0.00 N ATOM 273 CA ASP A 30 8.276 11.172 1.704 1.00 0.00 C ATOM 274 C ASP A 30 7.630 12.475 1.229 1.00 0.00 C ATOM 275 O ASP A 30 7.933 13.549 1.748 1.00 0.00 O ATOM 276 CB ASP A 30 9.581 10.907 0.909 1.00 0.00 C ATOM 277 CG ASP A 30 10.232 9.597 1.363 1.00 0.00 C ATOM 278 OD1 ASP A 30 10.185 9.316 2.549 1.00 0.00 O ATOM 279 OD2 ASP A 30 10.771 8.897 0.519 1.00 0.00 O ATOM 0 H ASP A 30 7.681 9.347 0.852 1.00 0.00 H new ATOM 0 HA ASP A 30 8.504 11.279 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.360 10.859 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.276 11.734 1.054 1.00 0.00 H new ATOM 284 N ILE A 31 6.751 12.371 0.231 1.00 0.00 N ATOM 285 CA ILE A 31 6.059 13.546 -0.333 1.00 0.00 C ATOM 286 C ILE A 31 4.836 13.910 0.495 1.00 0.00 C ATOM 287 O ILE A 31 4.479 15.087 0.589 1.00 0.00 O ATOM 288 CB ILE A 31 5.622 13.237 -1.804 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.894 13.184 -2.746 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.584 14.310 -2.330 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.544 12.563 -4.113 1.00 0.00 C ATOM 0 H ILE A 31 6.497 11.486 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 31 6.747 14.391 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 31 5.129 12.265 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.287 14.191 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.681 12.600 -2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.299 14.069 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.698 14.301 -1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.039 15.300 -2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.435 12.539 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.175 11.548 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.775 13.163 -4.599 1.00 0.00 H new ATOM 303 N GLN A 32 4.173 12.903 1.057 1.00 0.00 N ATOM 304 CA GLN A 32 2.950 13.129 1.841 1.00 0.00 C ATOM 305 C GLN A 32 3.228 14.088 2.985 1.00 0.00 C ATOM 306 O GLN A 32 2.600 15.141 3.083 1.00 0.00 O ATOM 307 CB GLN A 32 2.415 11.763 2.400 1.00 0.00 C ATOM 308 CG GLN A 32 1.436 11.085 1.401 1.00 0.00 C ATOM 309 CD GLN A 32 1.023 9.694 1.891 1.00 0.00 C ATOM 310 OE1 GLN A 32 1.478 9.226 2.939 1.00 0.00 O ATOM 311 NE2 GLN A 32 0.177 9.007 1.186 1.00 0.00 N ATOM 0 H GLN A 32 4.456 11.925 0.988 1.00 0.00 H new ATOM 0 HA GLN A 32 2.192 13.570 1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.254 11.096 2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.909 11.931 3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.550 11.708 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.909 11.004 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.199 9.394 0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.112 8.080 1.498 1.00 0.00 H new ATOM 320 N GLU A 33 4.177 13.707 3.844 1.00 0.00 N ATOM 321 CA GLU A 33 4.533 14.528 4.999 1.00 0.00 C ATOM 322 C GLU A 33 5.061 15.874 4.552 1.00 0.00 C ATOM 323 O GLU A 33 4.591 16.905 5.014 1.00 0.00 O ATOM 324 CB GLU A 33 5.614 13.817 5.836 1.00 0.00 C ATOM 325 CG GLU A 33 5.075 12.473 6.382 1.00 0.00 C ATOM 326 CD GLU A 33 6.140 11.749 7.219 1.00 0.00 C ATOM 327 OE1 GLU A 33 7.257 12.244 7.311 1.00 0.00 O ATOM 328 OE2 GLU A 33 5.820 10.705 7.755 1.00 0.00 O ATOM 0 H GLU A 33 4.708 12.840 3.761 1.00 0.00 H new ATOM 0 HA GLU A 33 3.637 14.677 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.499 13.640 5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.921 14.456 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.190 12.654 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.766 11.837 5.552 1.00 0.00 H new ATOM 335 N ALA A 34 6.102 15.848 3.704 1.00 0.00 N ATOM 336 CA ALA A 34 6.764 17.073 3.268 1.00 0.00 C ATOM 337 C ALA A 34 5.752 18.135 2.915 1.00 0.00 C ATOM 338 O ALA A 34 5.738 19.151 3.555 1.00 0.00 O ATOM 339 CB ALA A 34 7.636 16.797 2.027 1.00 0.00 C ATOM 0 H ALA A 34 6.497 14.993 3.312 1.00 0.00 H new ATOM 0 HA ALA A 34 7.386 17.423 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.124 17.720 1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.393 16.052 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.009 16.424 1.217 1.00 0.00 H new ATOM 345 N LEU A 35 4.880 17.863 1.946 1.00 0.00 N ATOM 346 CA LEU A 35 3.853 18.843 1.574 1.00 0.00 C ATOM 347 C LEU A 35 2.829 19.044 2.710 1.00 0.00 C ATOM 348 O LEU A 35 2.589 20.164 3.153 1.00 0.00 O ATOM 349 CB LEU A 35 3.123 18.335 0.301 1.00 0.00 C ATOM 350 CG LEU A 35 1.879 19.227 -0.072 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.304 20.714 -0.289 1.00 0.00 C ATOM 352 CD2 LEU A 35 1.173 18.647 -1.324 1.00 0.00 C ATOM 0 H LEU A 35 4.860 16.994 1.413 1.00 0.00 H new ATOM 0 HA LEU A 35 4.335 19.802 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.822 18.323 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.796 17.307 0.458 1.00 0.00 H new ATOM 0 HG LEU A 35 1.171 19.213 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.428 21.309 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.751 21.102 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.031 20.770 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.314 19.268 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.870 18.634 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.838 17.631 -1.115 1.00 0.00 H new ATOM 364 N ALA A 36 2.149 17.961 3.102 1.00 0.00 N ATOM 365 CA ALA A 36 1.076 18.053 4.118 1.00 0.00 C ATOM 366 C ALA A 36 1.560 18.839 5.339 1.00 0.00 C ATOM 367 O ALA A 36 0.991 19.866 5.716 1.00 0.00 O ATOM 368 CB ALA A 36 0.634 16.635 4.531 1.00 0.00 C ATOM 0 H ALA A 36 2.313 17.021 2.742 1.00 0.00 H new ATOM 0 HA ALA A 36 0.225 18.582 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.156 16.703 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.261 16.101 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.484 16.096 4.949 1.00 0.00 H new ATOM 374 N HIS A 37 2.644 18.335 5.907 1.00 0.00 N ATOM 375 CA HIS A 37 3.309 18.932 7.062 1.00 0.00 C ATOM 376 C HIS A 37 4.145 20.141 6.624 1.00 0.00 C ATOM 377 O HIS A 37 5.099 20.495 7.321 1.00 0.00 O ATOM 378 CB HIS A 37 4.221 17.883 7.779 1.00 0.00 C ATOM 379 CG HIS A 37 4.659 18.429 9.113 1.00 0.00 C ATOM 380 ND1 HIS A 37 5.918 18.973 9.312 1.00 0.00 N ATOM 381 CD2 HIS A 37 3.988 18.583 10.290 1.00 0.00 C ATOM 382 CE1 HIS A 37 5.959 19.433 10.575 1.00 0.00 C ATOM 383 NE2 HIS A 37 4.806 19.219 11.214 1.00 0.00 N ATOM 0 H HIS A 37 3.097 17.484 5.575 1.00 0.00 H new ATOM 0 HA HIS A 37 2.544 19.263 7.765 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.679 16.947 7.917 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.091 17.659 7.162 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.974 18.259 10.475 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.818 19.916 11.018 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.576 19.469 12.176 1.00 0.00 H new ATOM 391 N ALA A 38 3.788 20.798 5.488 1.00 0.00 N ATOM 392 CA ALA A 38 4.542 21.995 5.025 1.00 0.00 C ATOM 393 C ALA A 38 3.680 23.235 5.058 1.00 0.00 C ATOM 394 O ALA A 38 4.084 24.202 5.706 1.00 0.00 O ATOM 395 CB ALA A 38 5.037 21.849 3.557 1.00 0.00 C ATOM 0 H ALA A 38 3.006 20.529 4.891 1.00 0.00 H new ATOM 0 HA ALA A 38 5.389 22.081 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.581 22.747 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.696 20.984 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.181 21.713 2.896 1.00 0.00 H new ATOM 401 N ASP A 39 2.494 23.182 4.353 1.00 0.00 N ATOM 402 CA ASP A 39 1.527 24.335 4.232 1.00 0.00 C ATOM 403 C ASP A 39 2.171 25.618 4.785 1.00 0.00 C ATOM 404 O ASP A 39 1.659 26.254 5.709 1.00 0.00 O ATOM 405 CB ASP A 39 0.199 24.029 4.976 1.00 0.00 C ATOM 406 CG ASP A 39 -0.476 22.778 4.402 1.00 0.00 C ATOM 407 OD1 ASP A 39 0.206 21.783 4.251 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.668 22.835 4.131 1.00 0.00 O ATOM 0 H ASP A 39 2.186 22.345 3.858 1.00 0.00 H new ATOM 0 HA ASP A 39 1.293 24.481 3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.398 23.885 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.475 24.882 4.891 1.00 0.00 H new ATOM 413 N ALA A 40 3.381 25.914 4.263 1.00 0.00 N ATOM 414 CA ALA A 40 4.191 27.025 4.758 1.00 0.00 C ATOM 415 C ALA A 40 3.455 28.332 4.612 1.00 0.00 C ATOM 416 O ALA A 40 3.330 29.101 5.570 1.00 0.00 O ATOM 417 CB ALA A 40 5.537 27.077 3.989 1.00 0.00 C ATOM 0 H ALA A 40 3.810 25.393 3.498 1.00 0.00 H new ATOM 0 HA ALA A 40 4.390 26.865 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.137 27.907 4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.078 26.142 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.343 27.218 2.926 1.00 0.00 H new ATOM 423 N ASN A 41 2.969 28.581 3.400 1.00 0.00 N ATOM 424 CA ASN A 41 2.245 29.808 3.107 1.00 0.00 C ATOM 425 C ASN A 41 0.823 29.725 3.648 1.00 0.00 C ATOM 426 O ASN A 41 0.148 30.750 3.746 1.00 0.00 O ATOM 427 CB ASN A 41 2.219 30.013 1.574 1.00 0.00 C ATOM 428 CG ASN A 41 3.640 29.998 1.020 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.082 28.994 0.458 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.380 31.058 1.148 1.00 0.00 N ATOM 0 H ASN A 41 3.065 27.948 2.606 1.00 0.00 H new ATOM 0 HA ASN A 41 2.743 30.651 3.586 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.629 29.227 1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.737 30.960 1.334 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.332 31.062 0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.009 31.886 1.614 1.00 0.00 H new ATOM 437 N ALA A 42 0.363 28.507 4.003 1.00 0.00 N ATOM 438 CA ALA A 42 -1.003 28.317 4.534 1.00 0.00 C ATOM 439 C ALA A 42 -2.037 29.047 3.647 1.00 0.00 C ATOM 440 O ALA A 42 -2.812 29.876 4.131 1.00 0.00 O ATOM 441 CB ALA A 42 -1.059 28.852 5.983 1.00 0.00 C ATOM 0 H ALA A 42 0.910 27.649 3.933 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.249 27.255 4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.064 28.716 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.346 28.306 6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.807 29.912 5.989 1.00 0.00 H new ATOM 447 N ASP A 43 -2.027 28.732 2.339 1.00 0.00 N ATOM 448 CA ASP A 43 -2.946 29.355 1.356 1.00 0.00 C ATOM 449 C ASP A 43 -3.968 28.343 0.876 1.00 0.00 C ATOM 450 O ASP A 43 -4.894 28.702 0.154 1.00 0.00 O ATOM 451 CB ASP A 43 -2.131 29.911 0.162 1.00 0.00 C ATOM 452 CG ASP A 43 -1.129 30.971 0.635 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.292 31.494 1.731 1.00 0.00 O ATOM 454 OD2 ASP A 43 -0.213 31.250 -0.118 1.00 0.00 O ATOM 0 H ASP A 43 -1.391 28.046 1.932 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.478 30.177 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.601 29.097 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.807 30.345 -0.575 1.00 0.00 H new ATOM 459 N GLN A 44 -3.782 27.078 1.273 1.00 0.00 N ATOM 460 CA GLN A 44 -4.686 25.988 0.894 1.00 0.00 C ATOM 461 C GLN A 44 -4.698 25.785 -0.611 1.00 0.00 C ATOM 462 O GLN A 44 -5.493 24.993 -1.121 1.00 0.00 O ATOM 463 CB GLN A 44 -6.130 26.277 1.398 1.00 0.00 C ATOM 464 CG GLN A 44 -6.109 26.562 2.921 1.00 0.00 C ATOM 465 CD GLN A 44 -7.522 26.859 3.420 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.257 25.943 3.783 1.00 0.00 O ATOM 467 NE2 GLN A 44 -7.945 28.092 3.439 1.00 0.00 N ATOM 0 H GLN A 44 -3.004 26.783 1.863 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.320 25.075 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.547 27.132 0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.776 25.424 1.187 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.700 25.703 3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.455 27.409 3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.330 28.847 3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.891 28.302 3.757 1.00 0.00 H new ATOM 476 N HIS A 45 -3.799 26.490 -1.318 1.00 0.00 N ATOM 477 CA HIS A 45 -3.674 26.395 -2.776 1.00 0.00 C ATOM 478 C HIS A 45 -2.262 25.931 -3.080 1.00 0.00 C ATOM 479 O HIS A 45 -1.299 26.427 -2.487 1.00 0.00 O ATOM 480 CB HIS A 45 -3.949 27.780 -3.454 1.00 0.00 C ATOM 481 CG HIS A 45 -3.277 27.856 -4.805 1.00 0.00 C ATOM 482 ND1 HIS A 45 -3.393 26.838 -5.735 1.00 0.00 N ATOM 483 CD2 HIS A 45 -2.410 28.763 -5.345 1.00 0.00 C ATOM 484 CE1 HIS A 45 -2.607 27.154 -6.773 1.00 0.00 C ATOM 485 NE2 HIS A 45 -1.985 28.320 -6.589 1.00 0.00 N ATOM 0 H HIS A 45 -3.140 27.141 -0.891 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.407 25.691 -3.171 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.023 27.928 -3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.582 28.583 -2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.102 29.685 -4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -2.491 26.539 -7.653 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.337 28.785 -7.225 1.00 0.00 H new ATOM 493 N LEU A 46 -2.157 24.955 -3.991 1.00 0.00 N ATOM 494 CA LEU A 46 -0.870 24.396 -4.357 1.00 0.00 C ATOM 495 C LEU A 46 -0.219 25.186 -5.488 1.00 0.00 C ATOM 496 O LEU A 46 -0.589 25.026 -6.653 1.00 0.00 O ATOM 497 CB LEU A 46 -1.044 22.915 -4.806 1.00 0.00 C ATOM 498 CG LEU A 46 0.350 22.170 -4.887 1.00 0.00 C ATOM 499 CD1 LEU A 46 0.962 21.964 -3.456 1.00 0.00 C ATOM 500 CD2 LEU A 46 0.173 20.797 -5.595 1.00 0.00 C ATOM 0 H LEU A 46 -2.951 24.544 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.224 24.450 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.696 22.395 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.533 22.883 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 46 1.038 22.788 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.919 21.450 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.111 22.934 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.281 21.365 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.136 20.288 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.530 20.185 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.210 20.954 -6.603 1.00 0.00 H new ATOM 512 N ASP A 47 0.779 26.002 -5.141 1.00 0.00 N ATOM 513 CA ASP A 47 1.538 26.777 -6.120 1.00 0.00 C ATOM 514 C ASP A 47 2.861 26.053 -6.342 1.00 0.00 C ATOM 515 O ASP A 47 3.451 25.523 -5.393 1.00 0.00 O ATOM 516 CB ASP A 47 1.774 28.205 -5.596 1.00 0.00 C ATOM 517 CG ASP A 47 2.610 29.018 -6.598 1.00 0.00 C ATOM 518 OD1 ASP A 47 2.069 29.364 -7.634 1.00 0.00 O ATOM 519 OD2 ASP A 47 3.776 29.254 -6.325 1.00 0.00 O ATOM 0 H ASP A 47 1.081 26.143 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 47 0.993 26.861 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.817 28.699 -5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.286 28.165 -4.635 1.00 0.00 H new ATOM 524 N PHE A 48 3.289 26.005 -7.608 1.00 0.00 N ATOM 525 CA PHE A 48 4.511 25.318 -8.010 1.00 0.00 C ATOM 526 C PHE A 48 5.665 25.567 -7.049 1.00 0.00 C ATOM 527 O PHE A 48 6.341 24.637 -6.663 1.00 0.00 O ATOM 528 CB PHE A 48 4.937 25.792 -9.431 1.00 0.00 C ATOM 529 CG PHE A 48 5.949 24.788 -10.031 1.00 0.00 C ATOM 530 CD1 PHE A 48 5.486 23.533 -10.470 1.00 0.00 C ATOM 531 CD2 PHE A 48 7.331 25.085 -10.125 1.00 0.00 C ATOM 532 CE1 PHE A 48 6.378 22.593 -10.996 1.00 0.00 C ATOM 533 CE2 PHE A 48 8.218 24.132 -10.661 1.00 0.00 C ATOM 534 CZ PHE A 48 7.738 22.894 -11.092 1.00 0.00 C ATOM 0 H PHE A 48 2.792 26.445 -8.383 1.00 0.00 H new ATOM 0 HA PHE A 48 4.291 24.250 -8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.062 25.872 -10.076 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.384 26.785 -9.376 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.435 23.295 -10.400 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.703 26.040 -9.786 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.014 21.632 -11.329 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.271 24.359 -10.739 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.422 22.165 -11.502 1.00 0.00 H new ATOM 544 N ASP A 49 5.867 26.836 -6.662 1.00 0.00 N ATOM 545 CA ASP A 49 6.954 27.212 -5.746 1.00 0.00 C ATOM 546 C ASP A 49 6.996 26.293 -4.522 1.00 0.00 C ATOM 547 O ASP A 49 8.020 25.676 -4.225 1.00 0.00 O ATOM 548 CB ASP A 49 6.745 28.678 -5.288 1.00 0.00 C ATOM 549 CG ASP A 49 7.937 29.161 -4.446 1.00 0.00 C ATOM 550 OD1 ASP A 49 8.999 29.331 -5.019 1.00 0.00 O ATOM 551 OD2 ASP A 49 7.774 29.329 -3.248 1.00 0.00 O ATOM 0 H ASP A 49 5.291 27.619 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 49 7.902 27.111 -6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.624 29.322 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.827 28.754 -4.705 1.00 0.00 H new ATOM 556 N GLU A 50 5.862 26.216 -3.826 1.00 0.00 N ATOM 557 CA GLU A 50 5.758 25.375 -2.633 1.00 0.00 C ATOM 558 C GLU A 50 6.102 23.926 -2.989 1.00 0.00 C ATOM 559 O GLU A 50 6.932 23.310 -2.353 1.00 0.00 O ATOM 560 CB GLU A 50 4.320 25.438 -2.048 1.00 0.00 C ATOM 561 CG GLU A 50 4.238 24.679 -0.683 1.00 0.00 C ATOM 562 CD GLU A 50 2.828 24.738 -0.088 1.00 0.00 C ATOM 563 OE1 GLU A 50 2.054 25.594 -0.491 1.00 0.00 O ATOM 564 OE2 GLU A 50 2.545 23.922 0.774 1.00 0.00 O ATOM 0 H GLU A 50 5.009 26.721 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 50 6.460 25.744 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.025 26.478 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.616 24.999 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.529 23.639 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.948 25.115 0.019 1.00 0.00 H new ATOM 571 N TRP A 51 5.472 23.416 -4.043 1.00 0.00 N ATOM 572 CA TRP A 51 5.714 22.044 -4.495 1.00 0.00 C ATOM 573 C TRP A 51 7.128 21.891 -5.054 1.00 0.00 C ATOM 574 O TRP A 51 7.641 20.773 -5.140 1.00 0.00 O ATOM 575 CB TRP A 51 4.690 21.685 -5.609 1.00 0.00 C ATOM 576 CG TRP A 51 4.980 20.310 -6.162 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.862 20.034 -7.155 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.432 19.032 -5.747 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.882 18.678 -7.361 1.00 0.00 N ATOM 580 CE2 TRP A 51 5.007 18.018 -6.536 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.494 18.663 -4.779 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.669 16.682 -6.368 1.00 0.00 C ATOM 583 CZ3 TRP A 51 3.138 17.314 -4.610 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.727 16.327 -5.407 1.00 0.00 C ATOM 0 H TRP A 51 4.790 23.929 -4.602 1.00 0.00 H new ATOM 0 HA TRP A 51 5.602 21.376 -3.641 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.678 21.717 -5.206 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.738 22.424 -6.409 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.451 20.761 -7.694 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.478 18.215 -8.047 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.040 19.420 -4.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 5.134 15.923 -6.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.408 17.039 -3.863 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.451 15.291 -5.277 1.00 0.00 H new ATOM 595 N ARG A 52 7.739 23.001 -5.458 1.00 0.00 N ATOM 596 CA ARG A 52 9.077 22.955 -6.053 1.00 0.00 C ATOM 597 C ARG A 52 10.194 22.872 -5.016 1.00 0.00 C ATOM 598 O ARG A 52 10.959 21.928 -4.998 1.00 0.00 O ATOM 599 CB ARG A 52 9.300 24.239 -6.905 1.00 0.00 C ATOM 600 CG ARG A 52 10.608 24.150 -7.747 1.00 0.00 C ATOM 601 CD ARG A 52 10.907 25.494 -8.439 1.00 0.00 C ATOM 602 NE ARG A 52 12.038 25.310 -9.350 1.00 0.00 N ATOM 603 CZ ARG A 52 13.297 25.153 -8.911 1.00 0.00 C ATOM 604 NH1 ARG A 52 13.563 25.160 -7.628 1.00 0.00 N ATOM 605 NH2 ARG A 52 14.256 24.980 -9.769 1.00 0.00 N ATOM 0 H ARG A 52 7.337 23.936 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 52 9.120 22.051 -6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.449 24.388 -7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.348 25.108 -6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.443 23.874 -7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.511 23.364 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.031 25.839 -8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.140 26.258 -7.697 1.00 0.00 H new ATOM 0 HE ARG A 52 11.863 25.301 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.810 25.286 -6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.523 25.040 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.050 24.964 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.215 24.860 -9.444 1.00 0.00 H new ATOM 619 N GLN A 53 10.289 23.910 -4.185 1.00 0.00 N ATOM 620 CA GLN A 53 11.363 24.024 -3.190 1.00 0.00 C ATOM 621 C GLN A 53 11.208 23.042 -2.052 1.00 0.00 C ATOM 622 O GLN A 53 12.203 22.527 -1.523 1.00 0.00 O ATOM 623 CB GLN A 53 11.386 25.465 -2.608 1.00 0.00 C ATOM 624 CG GLN A 53 11.672 26.504 -3.726 1.00 0.00 C ATOM 625 CD GLN A 53 11.704 27.920 -3.136 1.00 0.00 C ATOM 626 OE1 GLN A 53 10.702 28.386 -2.592 1.00 0.00 O ATOM 627 NE2 GLN A 53 12.799 28.625 -3.201 1.00 0.00 N ATOM 0 H GLN A 53 9.632 24.690 -4.179 1.00 0.00 H new ATOM 0 HA GLN A 53 12.297 23.796 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.429 25.687 -2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.149 25.538 -1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.625 26.280 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.904 26.440 -4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.628 28.238 -3.652 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.826 29.563 -2.801 1.00 0.00 H new ATOM 636 N GLU A 54 9.961 22.822 -1.646 1.00 0.00 N ATOM 637 CA GLU A 54 9.684 21.949 -0.508 1.00 0.00 C ATOM 638 C GLU A 54 10.171 20.516 -0.740 1.00 0.00 C ATOM 639 O GLU A 54 10.892 19.955 0.087 1.00 0.00 O ATOM 640 CB GLU A 54 8.158 21.937 -0.208 1.00 0.00 C ATOM 641 CG GLU A 54 7.831 21.171 1.114 1.00 0.00 C ATOM 642 CD GLU A 54 8.424 21.903 2.327 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.471 23.124 2.292 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.815 21.236 3.267 1.00 0.00 O ATOM 0 H GLU A 54 9.134 23.231 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 54 10.232 22.349 0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.794 22.962 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.628 21.471 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.751 21.081 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.232 20.159 1.062 1.00 0.00 H new ATOM 651 N LEU A 55 9.737 19.923 -1.847 1.00 0.00 N ATOM 652 CA LEU A 55 10.083 18.532 -2.173 1.00 0.00 C ATOM 653 C LEU A 55 11.503 18.426 -2.665 1.00 0.00 C ATOM 654 O LEU A 55 12.127 17.377 -2.527 1.00 0.00 O ATOM 655 CB LEU A 55 9.137 18.005 -3.280 1.00 0.00 C ATOM 656 CG LEU A 55 7.730 17.605 -2.716 1.00 0.00 C ATOM 657 CD1 LEU A 55 7.049 18.805 -2.002 1.00 0.00 C ATOM 658 CD2 LEU A 55 6.845 17.101 -3.885 1.00 0.00 C ATOM 0 H LEU A 55 9.143 20.380 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 55 9.976 17.939 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.015 18.771 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.592 17.140 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 55 7.856 16.813 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.075 18.497 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.674 19.137 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.920 19.624 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.863 16.820 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.733 17.894 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.315 16.234 -4.350 1.00 0.00 H new ATOM 670 N LYS A 56 12.021 19.493 -3.264 1.00 0.00 N ATOM 671 CA LYS A 56 13.375 19.449 -3.798 1.00 0.00 C ATOM 672 C LYS A 56 14.399 19.088 -2.721 1.00 0.00 C ATOM 673 O LYS A 56 15.255 18.223 -2.944 1.00 0.00 O ATOM 674 CB LYS A 56 13.741 20.820 -4.403 1.00 0.00 C ATOM 675 CG LYS A 56 15.145 20.779 -5.065 1.00 0.00 C ATOM 676 CD LYS A 56 15.495 22.147 -5.694 1.00 0.00 C ATOM 677 CE LYS A 56 16.897 22.075 -6.334 1.00 0.00 C ATOM 678 NZ LYS A 56 16.890 21.004 -7.370 1.00 0.00 N ATOM 0 H LYS A 56 11.535 20.381 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 56 13.401 18.676 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.994 21.106 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.725 21.582 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.895 20.513 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.168 20.004 -5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.753 22.414 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.471 22.926 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.158 23.034 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.649 21.862 -5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.360 21.351 -8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.397 20.170 -7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.908 20.743 -7.593 1.00 0.00 H new ATOM 692 N CYS A 57 14.321 19.761 -1.565 1.00 0.00 N ATOM 693 CA CYS A 57 15.271 19.524 -0.477 1.00 0.00 C ATOM 694 C CYS A 57 15.206 18.086 0.014 1.00 0.00 C ATOM 695 O CYS A 57 16.029 17.670 0.830 1.00 0.00 O ATOM 696 CB CYS A 57 14.959 20.490 0.685 1.00 0.00 C ATOM 697 SG CYS A 57 16.224 20.339 1.976 1.00 0.00 S ATOM 0 H CYS A 57 13.614 20.468 -1.363 1.00 0.00 H new ATOM 0 HA CYS A 57 16.279 19.702 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.924 21.515 0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.976 20.267 1.100 1.00 0.00 H new ATOM 0 HG CYS A 57 16.662 19.116 2.013 1.00 0.00 H new ATOM 703 N ARG A 58 14.208 17.333 -0.475 1.00 0.00 N ATOM 704 CA ARG A 58 14.019 15.937 -0.064 1.00 0.00 C ATOM 705 C ARG A 58 14.865 14.988 -0.907 1.00 0.00 C ATOM 706 O ARG A 58 14.559 13.798 -1.005 1.00 0.00 O ATOM 707 CB ARG A 58 12.511 15.546 -0.163 1.00 0.00 C ATOM 708 CG ARG A 58 12.177 14.294 0.755 1.00 0.00 C ATOM 709 CD ARG A 58 11.516 14.760 2.073 1.00 0.00 C ATOM 710 NE ARG A 58 12.322 15.823 2.712 1.00 0.00 N ATOM 711 CZ ARG A 58 11.917 16.451 3.826 1.00 0.00 C ATOM 712 NH1 ARG A 58 10.772 16.136 4.366 1.00 0.00 N ATOM 713 NH2 ARG A 58 12.657 17.387 4.360 1.00 0.00 N ATOM 0 H ARG A 58 13.523 17.668 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 58 14.346 15.846 0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.893 16.393 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.260 15.317 -1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.510 13.613 0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.090 13.740 0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.511 15.130 1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.414 13.915 2.754 1.00 0.00 H new ATOM 0 HE ARG A 58 13.214 16.087 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.189 15.415 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.460 16.611 5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.546 17.642 3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.346 17.862 5.207 1.00 0.00 H new ATOM 727 N GLY A 59 15.920 15.517 -1.516 1.00 0.00 N ATOM 728 CA GLY A 59 16.817 14.708 -2.352 1.00 0.00 C ATOM 729 C GLY A 59 16.267 14.548 -3.763 1.00 0.00 C ATOM 730 O GLY A 59 16.767 13.723 -4.526 1.00 0.00 O ATOM 0 H GLY A 59 16.180 16.501 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.800 15.178 -2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.952 13.726 -1.899 1.00 0.00 H new ATOM 734 N HIS A 60 15.234 15.341 -4.113 1.00 0.00 N ATOM 735 CA HIS A 60 14.613 15.292 -5.457 1.00 0.00 C ATOM 736 C HIS A 60 15.161 16.443 -6.294 1.00 0.00 C ATOM 737 O HIS A 60 15.476 17.508 -5.760 1.00 0.00 O ATOM 738 CB HIS A 60 13.071 15.406 -5.327 1.00 0.00 C ATOM 739 CG HIS A 60 12.538 14.277 -4.487 1.00 0.00 C ATOM 740 ND1 HIS A 60 13.368 13.373 -3.837 1.00 0.00 N ATOM 741 CD2 HIS A 60 11.259 13.892 -4.186 1.00 0.00 C ATOM 742 CE1 HIS A 60 12.584 12.503 -3.185 1.00 0.00 C ATOM 743 NE2 HIS A 60 11.290 12.772 -3.364 1.00 0.00 N ATOM 0 H HIS A 60 14.810 16.024 -3.485 1.00 0.00 H new ATOM 0 HA HIS A 60 14.850 14.345 -5.943 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.806 16.362 -4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.612 15.382 -6.315 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.363 14.384 -4.534 1.00 0.00 H new ATOM 0 HE1 HIS A 60 12.955 11.684 -2.587 1.00 0.00 H new ATOM 0 HE2 HIS A 60 10.493 12.264 -2.980 1.00 0.00 H new ATOM 751 N ALA A 61 15.278 16.223 -7.609 1.00 0.00 N ATOM 752 CA ALA A 61 15.789 17.237 -8.534 1.00 0.00 C ATOM 753 C ALA A 61 14.656 18.184 -8.927 1.00 0.00 C ATOM 754 O ALA A 61 13.475 17.843 -8.802 1.00 0.00 O ATOM 755 CB ALA A 61 16.361 16.536 -9.785 1.00 0.00 C ATOM 0 H ALA A 61 15.023 15.343 -8.058 1.00 0.00 H new ATOM 0 HA ALA A 61 16.579 17.815 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.744 17.285 -10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.170 15.868 -9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.574 15.960 -10.271 1.00 0.00 H new ATOM 761 N ASP A 62 15.034 19.372 -9.400 1.00 0.00 N ATOM 762 CA ASP A 62 14.074 20.398 -9.821 1.00 0.00 C ATOM 763 C ASP A 62 13.368 19.996 -11.118 1.00 0.00 C ATOM 764 O ASP A 62 12.209 20.327 -11.319 1.00 0.00 O ATOM 765 CB ASP A 62 14.823 21.735 -10.041 1.00 0.00 C ATOM 766 CG ASP A 62 15.935 21.556 -11.084 1.00 0.00 C ATOM 767 OD1 ASP A 62 17.037 21.207 -10.695 1.00 0.00 O ATOM 768 OD2 ASP A 62 15.660 21.764 -12.255 1.00 0.00 O ATOM 0 H ASP A 62 16.010 19.651 -9.503 1.00 0.00 H new ATOM 0 HA ASP A 62 13.322 20.508 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.123 22.502 -10.373 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.250 22.080 -9.099 1.00 0.00 H new ATOM 773 N ALA A 63 14.095 19.320 -12.014 1.00 0.00 N ATOM 774 CA ALA A 63 13.539 18.895 -13.310 1.00 0.00 C ATOM 775 C ALA A 63 12.667 17.653 -13.157 1.00 0.00 C ATOM 776 O ALA A 63 11.608 17.550 -13.758 1.00 0.00 O ATOM 777 CB ALA A 63 14.685 18.600 -14.301 1.00 0.00 C ATOM 0 H ALA A 63 15.069 19.054 -11.869 1.00 0.00 H new ATOM 0 HA ALA A 63 12.919 19.706 -13.692 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.267 18.286 -15.258 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.283 19.500 -14.444 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.315 17.805 -13.902 1.00 0.00 H new ATOM 783 N ASP A 64 13.152 16.682 -12.374 1.00 0.00 N ATOM 784 CA ASP A 64 12.436 15.414 -12.184 1.00 0.00 C ATOM 785 C ASP A 64 11.062 15.642 -11.579 1.00 0.00 C ATOM 786 O ASP A 64 10.103 14.937 -11.909 1.00 0.00 O ATOM 787 CB ASP A 64 13.254 14.473 -11.259 1.00 0.00 C ATOM 788 CG ASP A 64 12.590 13.087 -11.160 1.00 0.00 C ATOM 789 OD1 ASP A 64 12.627 12.370 -12.147 1.00 0.00 O ATOM 790 OD2 ASP A 64 12.039 12.780 -10.114 1.00 0.00 O ATOM 0 H ASP A 64 14.033 16.749 -11.864 1.00 0.00 H new ATOM 0 HA ASP A 64 12.312 14.952 -13.164 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.268 14.368 -11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.335 14.914 -10.265 1.00 0.00 H new ATOM 795 N ILE A 65 10.980 16.621 -10.674 1.00 0.00 N ATOM 796 CA ILE A 65 9.725 16.927 -9.983 1.00 0.00 C ATOM 797 C ILE A 65 8.610 17.281 -10.968 1.00 0.00 C ATOM 798 O ILE A 65 7.427 17.209 -10.640 1.00 0.00 O ATOM 799 CB ILE A 65 9.944 18.126 -8.956 1.00 0.00 C ATOM 800 CG1 ILE A 65 9.042 17.914 -7.669 1.00 0.00 C ATOM 801 CG2 ILE A 65 9.645 19.546 -9.608 1.00 0.00 C ATOM 802 CD1 ILE A 65 9.694 16.938 -6.662 1.00 0.00 C ATOM 0 H ILE A 65 11.765 17.213 -10.403 1.00 0.00 H new ATOM 0 HA ILE A 65 9.419 16.033 -9.439 1.00 0.00 H new ATOM 0 HB ILE A 65 10.996 18.118 -8.671 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.870 18.875 -7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 65 8.067 17.529 -7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.809 20.328 -8.867 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.311 19.704 -10.456 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.610 19.580 -9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.043 16.821 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.842 15.969 -7.138 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.657 17.335 -6.342 1.00 0.00 H new ATOM 814 N GLU A 66 9.018 17.733 -12.151 1.00 0.00 N ATOM 815 CA GLU A 66 8.074 18.179 -13.179 1.00 0.00 C ATOM 816 C GLU A 66 7.255 17.011 -13.716 1.00 0.00 C ATOM 817 O GLU A 66 6.072 17.155 -13.994 1.00 0.00 O ATOM 818 CB GLU A 66 8.849 18.840 -14.352 1.00 0.00 C ATOM 819 CG GLU A 66 9.684 20.042 -13.840 1.00 0.00 C ATOM 820 CD GLU A 66 10.459 20.688 -14.995 1.00 0.00 C ATOM 821 OE1 GLU A 66 11.026 19.949 -15.781 1.00 0.00 O ATOM 822 OE2 GLU A 66 10.471 21.908 -15.077 1.00 0.00 O ATOM 0 H GLU A 66 9.998 17.801 -12.425 1.00 0.00 H new ATOM 0 HA GLU A 66 7.396 18.901 -12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.505 18.107 -14.821 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.148 19.175 -15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.027 20.779 -13.378 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.379 19.708 -13.070 1.00 0.00 H new ATOM 829 N ALA A 67 7.912 15.864 -13.884 1.00 0.00 N ATOM 830 CA ALA A 67 7.251 14.671 -14.433 1.00 0.00 C ATOM 831 C ALA A 67 6.071 14.224 -13.565 1.00 0.00 C ATOM 832 O ALA A 67 4.952 14.055 -14.055 1.00 0.00 O ATOM 833 CB ALA A 67 8.272 13.517 -14.546 1.00 0.00 C ATOM 0 H ALA A 67 8.896 15.731 -13.651 1.00 0.00 H new ATOM 0 HA ALA A 67 6.864 14.930 -15.419 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.779 12.634 -14.953 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.086 13.815 -15.206 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.671 13.287 -13.558 1.00 0.00 H new ATOM 839 N VAL A 68 6.337 14.045 -12.269 1.00 0.00 N ATOM 840 CA VAL A 68 5.311 13.619 -11.313 1.00 0.00 C ATOM 841 C VAL A 68 4.278 14.712 -11.106 1.00 0.00 C ATOM 842 O VAL A 68 3.107 14.415 -10.859 1.00 0.00 O ATOM 843 CB VAL A 68 5.979 13.246 -9.945 1.00 0.00 C ATOM 844 CG1 VAL A 68 6.756 14.463 -9.360 1.00 0.00 C ATOM 845 CG2 VAL A 68 4.911 12.746 -8.914 1.00 0.00 C ATOM 0 H VAL A 68 7.258 14.189 -11.856 1.00 0.00 H new ATOM 0 HA VAL A 68 4.805 12.742 -11.718 1.00 0.00 H new ATOM 0 HB VAL A 68 6.684 12.436 -10.131 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.212 14.182 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.534 14.768 -10.060 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.067 15.292 -9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.402 12.494 -7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.177 13.533 -8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.409 11.863 -9.309 1.00 0.00 H new ATOM 855 N PHE A 69 4.715 15.978 -11.169 1.00 0.00 N ATOM 856 CA PHE A 69 3.816 17.104 -10.942 1.00 0.00 C ATOM 857 C PHE A 69 2.964 17.368 -12.183 1.00 0.00 C ATOM 858 O PHE A 69 1.742 17.366 -12.101 1.00 0.00 O ATOM 859 CB PHE A 69 4.646 18.356 -10.599 1.00 0.00 C ATOM 860 CG PHE A 69 3.711 19.585 -10.514 1.00 0.00 C ATOM 861 CD1 PHE A 69 2.988 19.852 -9.332 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.527 20.418 -11.641 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.108 20.945 -9.279 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.641 21.502 -11.583 1.00 0.00 C ATOM 865 CZ PHE A 69 1.932 21.769 -10.405 1.00 0.00 C ATOM 0 H PHE A 69 5.679 16.240 -11.374 1.00 0.00 H new ATOM 0 HA PHE A 69 3.150 16.866 -10.112 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.165 18.214 -9.651 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.410 18.519 -11.359 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.111 19.216 -8.468 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.072 20.218 -12.552 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.564 21.154 -8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.504 22.133 -12.449 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.251 22.606 -10.361 1.00 0.00 H new ATOM 875 N ALA A 70 3.635 17.695 -13.305 1.00 0.00 N ATOM 876 CA ALA A 70 2.961 18.074 -14.575 1.00 0.00 C ATOM 877 C ALA A 70 1.727 17.216 -14.843 1.00 0.00 C ATOM 878 O ALA A 70 0.741 17.685 -15.409 1.00 0.00 O ATOM 879 CB ALA A 70 3.954 17.916 -15.752 1.00 0.00 C ATOM 0 H ALA A 70 4.653 17.706 -13.363 1.00 0.00 H new ATOM 0 HA ALA A 70 2.638 19.111 -14.483 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.461 18.194 -16.684 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.816 18.564 -15.590 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.285 16.879 -15.812 1.00 0.00 H new ATOM 885 N LYS A 71 1.789 15.972 -14.398 1.00 0.00 N ATOM 886 CA LYS A 71 0.699 15.009 -14.524 1.00 0.00 C ATOM 887 C LYS A 71 -0.601 15.520 -13.873 1.00 0.00 C ATOM 888 O LYS A 71 -1.668 14.941 -14.058 1.00 0.00 O ATOM 889 CB LYS A 71 1.101 13.655 -13.856 1.00 0.00 C ATOM 890 CG LYS A 71 0.216 12.479 -14.414 1.00 0.00 C ATOM 891 CD LYS A 71 0.305 11.217 -13.514 1.00 0.00 C ATOM 892 CE LYS A 71 1.775 10.719 -13.382 1.00 0.00 C ATOM 893 NZ LYS A 71 2.467 11.533 -12.342 1.00 0.00 N ATOM 0 H LYS A 71 2.612 15.593 -13.930 1.00 0.00 H new ATOM 0 HA LYS A 71 0.517 14.867 -15.589 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.154 13.447 -14.047 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.981 13.727 -12.775 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.822 12.805 -14.482 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.538 12.229 -15.425 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.095 11.444 -12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.314 10.424 -13.934 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.793 9.664 -13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.291 10.810 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.053 10.912 -11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.072 12.243 -12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.760 12.013 -11.749 1.00 0.00 H new ATOM 907 N TYR A 72 -0.499 16.612 -13.109 1.00 0.00 N ATOM 908 CA TYR A 72 -1.651 17.216 -12.410 1.00 0.00 C ATOM 909 C TYR A 72 -2.019 18.558 -13.013 1.00 0.00 C ATOM 910 O TYR A 72 -3.057 19.121 -12.663 1.00 0.00 O ATOM 911 CB TYR A 72 -1.293 17.369 -10.918 1.00 0.00 C ATOM 912 CG TYR A 72 -1.160 15.972 -10.283 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.323 15.210 -10.055 1.00 0.00 C ATOM 914 CD2 TYR A 72 0.094 15.434 -9.925 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.231 13.943 -9.481 1.00 0.00 C ATOM 916 CE2 TYR A 72 0.174 14.163 -9.345 1.00 0.00 C ATOM 917 CZ TYR A 72 -0.986 13.422 -9.127 1.00 0.00 C ATOM 918 OH TYR A 72 -0.906 12.176 -8.547 1.00 0.00 O ATOM 0 H TYR A 72 0.380 17.106 -12.954 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.520 16.567 -12.519 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.359 17.921 -10.811 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.064 17.943 -10.404 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.289 15.609 -10.326 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.994 16.004 -10.099 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.126 13.363 -9.310 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.135 13.756 -9.066 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.654 11.623 -8.855 1.00 0.00 H new ATOM 928 N ASP A 73 -1.195 19.047 -13.945 1.00 0.00 N ATOM 929 CA ASP A 73 -1.472 20.321 -14.634 1.00 0.00 C ATOM 930 C ASP A 73 -2.220 20.010 -15.926 1.00 0.00 C ATOM 931 O ASP A 73 -1.764 20.334 -17.027 1.00 0.00 O ATOM 932 CB ASP A 73 -0.153 21.082 -14.940 1.00 0.00 C ATOM 933 CG ASP A 73 -0.438 22.500 -15.473 1.00 0.00 C ATOM 934 OD1 ASP A 73 -1.556 22.981 -15.317 1.00 0.00 O ATOM 935 OD2 ASP A 73 0.465 23.082 -16.038 1.00 0.00 O ATOM 0 H ASP A 73 -0.334 18.587 -14.242 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.078 20.962 -13.994 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.452 21.145 -14.035 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.429 20.525 -15.674 1.00 0.00 H new ATOM 940 N VAL A 74 -3.379 19.355 -15.785 1.00 0.00 N ATOM 941 CA VAL A 74 -4.190 18.972 -16.945 1.00 0.00 C ATOM 942 C VAL A 74 -4.580 20.191 -17.773 1.00 0.00 C ATOM 943 O VAL A 74 -4.512 20.153 -19.005 1.00 0.00 O ATOM 944 CB VAL A 74 -5.486 18.231 -16.470 1.00 0.00 C ATOM 945 CG1 VAL A 74 -6.392 19.174 -15.592 1.00 0.00 C ATOM 946 CG2 VAL A 74 -6.299 17.695 -17.702 1.00 0.00 C ATOM 0 H VAL A 74 -3.773 19.081 -14.885 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.591 18.308 -17.568 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.178 17.385 -15.856 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.284 18.632 -15.277 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.835 19.498 -14.713 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.685 20.045 -16.178 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.195 17.183 -17.352 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.584 18.531 -18.341 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.682 16.998 -18.270 1.00 0.00 H new ATOM 956 N ASP A 75 -5.031 21.258 -17.101 1.00 0.00 N ATOM 957 CA ASP A 75 -5.478 22.454 -17.803 1.00 0.00 C ATOM 958 C ASP A 75 -4.296 23.209 -18.388 1.00 0.00 C ATOM 959 O ASP A 75 -4.482 24.095 -19.226 1.00 0.00 O ATOM 960 CB ASP A 75 -6.272 23.345 -16.814 1.00 0.00 C ATOM 961 CG ASP A 75 -6.987 24.482 -17.559 1.00 0.00 C ATOM 962 OD1 ASP A 75 -6.314 25.415 -17.957 1.00 0.00 O ATOM 963 OD2 ASP A 75 -8.192 24.388 -17.735 1.00 0.00 O ATOM 0 H ASP A 75 -5.093 21.312 -16.084 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.125 22.171 -18.633 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.003 22.739 -16.278 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.595 23.762 -16.069 1.00 0.00 H new ATOM 968 N GLY A 76 -3.076 22.871 -17.943 1.00 0.00 N ATOM 969 CA GLY A 76 -1.874 23.541 -18.433 1.00 0.00 C ATOM 970 C GLY A 76 -1.798 24.962 -17.890 1.00 0.00 C ATOM 971 O GLY A 76 -0.900 25.717 -18.268 1.00 0.00 O ATOM 0 H GLY A 76 -2.902 22.143 -17.250 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.989 22.981 -18.130 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.880 23.561 -19.523 1.00 0.00 H new ATOM 975 N ASP A 77 -2.755 25.343 -17.002 1.00 0.00 N ATOM 976 CA ASP A 77 -2.753 26.714 -16.448 1.00 0.00 C ATOM 977 C ASP A 77 -1.688 26.847 -15.363 1.00 0.00 C ATOM 978 O ASP A 77 -1.323 27.961 -15.010 1.00 0.00 O ATOM 979 CB ASP A 77 -4.151 27.013 -15.845 1.00 0.00 C ATOM 980 CG ASP A 77 -4.538 25.981 -14.770 1.00 0.00 C ATOM 981 OD1 ASP A 77 -3.810 25.011 -14.589 1.00 0.00 O ATOM 982 OD2 ASP A 77 -5.567 26.174 -14.144 1.00 0.00 O ATOM 0 H ASP A 77 -3.509 24.742 -16.668 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.529 27.424 -17.244 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.153 28.012 -15.409 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.898 27.010 -16.639 1.00 0.00 H new ATOM 987 N ARG A 78 -1.213 25.698 -14.861 1.00 0.00 N ATOM 988 CA ARG A 78 -0.179 25.639 -13.808 1.00 0.00 C ATOM 989 C ARG A 78 -0.714 26.141 -12.464 1.00 0.00 C ATOM 990 O ARG A 78 0.064 26.585 -11.617 1.00 0.00 O ATOM 991 CB ARG A 78 1.071 26.477 -14.216 1.00 0.00 C ATOM 992 CG ARG A 78 1.594 25.995 -15.596 1.00 0.00 C ATOM 993 CD ARG A 78 2.743 26.889 -16.068 1.00 0.00 C ATOM 994 NE ARG A 78 3.826 26.817 -15.085 1.00 0.00 N ATOM 995 CZ ARG A 78 4.924 27.563 -15.189 1.00 0.00 C ATOM 996 NH1 ARG A 78 5.048 28.399 -16.185 1.00 0.00 N ATOM 997 NH2 ARG A 78 5.862 27.465 -14.291 1.00 0.00 N ATOM 0 H ARG A 78 -1.533 24.781 -15.171 1.00 0.00 H new ATOM 0 HA ARG A 78 0.107 24.593 -13.696 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.812 27.535 -14.263 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.852 26.373 -13.463 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.934 24.962 -15.524 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.785 26.014 -16.326 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.098 26.564 -17.046 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.401 27.918 -16.179 1.00 0.00 H new ATOM 0 HE ARG A 78 3.737 26.176 -14.297 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.305 28.479 -16.880 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.888 28.972 -16.268 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.755 26.818 -13.510 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.704 28.035 -14.369 1.00 0.00 H new ATOM 1011 N VAL A 79 -2.039 26.054 -12.265 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.688 26.484 -11.001 1.00 0.00 C ATOM 1013 C VAL A 79 -3.667 25.396 -10.572 1.00 0.00 C ATOM 1014 O VAL A 79 -4.570 25.033 -11.326 1.00 0.00 O ATOM 1015 CB VAL A 79 -3.436 27.833 -11.196 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -4.027 28.349 -9.847 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -2.464 28.887 -11.797 1.00 0.00 C ATOM 0 H VAL A 79 -2.689 25.690 -12.961 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.930 26.634 -10.232 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.266 27.672 -11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.544 29.294 -10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.730 27.615 -9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.220 28.499 -9.130 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.990 29.832 -11.933 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.623 29.034 -11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.096 28.535 -12.761 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.449 24.868 -9.369 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.264 23.791 -8.803 1.00 0.00 C ATOM 1029 C LEU A 80 -4.584 24.103 -7.348 1.00 0.00 C ATOM 1030 O LEU A 80 -3.743 23.903 -6.462 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.457 22.470 -8.895 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.993 22.165 -10.371 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -1.944 21.035 -10.365 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -4.203 21.769 -11.277 1.00 0.00 C ATOM 0 H LEU A 80 -2.696 25.177 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.200 23.695 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.584 22.532 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.068 21.645 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.549 23.071 -10.783 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.627 20.828 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.082 21.342 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.381 20.135 -9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.849 21.565 -12.288 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.683 20.877 -10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.922 22.588 -11.302 1.00 0.00 H new ATOM 1046 N ASP A 81 -5.813 24.575 -7.100 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.275 24.887 -5.753 1.00 0.00 C ATOM 1048 C ASP A 81 -7.074 23.698 -5.241 1.00 0.00 C ATOM 1049 O ASP A 81 -7.095 22.641 -5.874 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.152 26.173 -5.783 1.00 0.00 C ATOM 1051 CG ASP A 81 -7.441 26.714 -4.366 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -6.825 26.243 -3.418 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -8.285 27.583 -4.251 1.00 0.00 O ATOM 0 H ASP A 81 -6.507 24.748 -7.827 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.431 25.073 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.647 26.942 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.094 25.957 -6.287 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.766 23.892 -4.116 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.615 22.871 -3.502 1.00 0.00 C ATOM 1060 C ALA A 82 -9.534 22.180 -4.524 1.00 0.00 C ATOM 1061 O ALA A 82 -10.095 21.135 -4.239 1.00 0.00 O ATOM 1062 CB ALA A 82 -9.471 23.509 -2.384 1.00 0.00 C ATOM 0 H ALA A 82 -7.752 24.772 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.957 22.108 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.102 22.746 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.817 23.939 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.098 24.293 -2.809 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.686 22.808 -5.697 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.548 22.277 -6.763 1.00 0.00 C ATOM 1070 C GLU A 83 -9.984 20.956 -7.322 1.00 0.00 C ATOM 1071 O GLU A 83 -10.637 19.921 -7.278 1.00 0.00 O ATOM 1072 CB GLU A 83 -10.629 23.331 -7.902 1.00 0.00 C ATOM 1073 CG GLU A 83 -11.255 24.655 -7.379 1.00 0.00 C ATOM 1074 CD GLU A 83 -11.374 25.709 -8.495 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -11.092 25.390 -9.643 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -11.759 26.822 -8.180 1.00 0.00 O ATOM 0 H GLU A 83 -9.223 23.686 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.539 22.076 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.632 23.525 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.227 22.940 -8.725 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.242 24.452 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.644 25.051 -6.568 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.767 21.021 -7.859 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.057 19.854 -8.428 1.00 0.00 C ATOM 1085 C GLU A 84 -7.278 19.096 -7.357 1.00 0.00 C ATOM 1086 O GLU A 84 -6.916 17.934 -7.547 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.095 20.317 -9.552 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.879 20.980 -10.720 1.00 0.00 C ATOM 1089 CD GLU A 84 -8.817 19.971 -11.403 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -8.350 18.893 -11.733 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -9.987 20.284 -11.566 1.00 0.00 O ATOM 0 H GLU A 84 -8.233 21.888 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.804 19.177 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.371 21.025 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.531 19.463 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.459 21.821 -10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.177 21.381 -11.451 1.00 0.00 H new ATOM 1098 N GLN A 85 -6.977 19.784 -6.253 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.175 19.190 -5.168 1.00 0.00 C ATOM 1100 C GLN A 85 -6.829 17.928 -4.609 1.00 0.00 C ATOM 1101 O GLN A 85 -6.147 16.957 -4.287 1.00 0.00 O ATOM 1102 CB GLN A 85 -5.989 20.202 -4.015 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.860 19.752 -3.046 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.702 20.763 -1.909 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -5.438 20.713 -0.924 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -3.808 21.703 -2.015 1.00 0.00 N ATOM 0 H GLN A 85 -7.271 20.746 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.207 18.927 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.750 21.183 -4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.924 20.305 -3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.093 18.769 -2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.921 19.657 -3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.201 21.739 -2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.715 22.403 -1.279 1.00 0.00 H new ATOM 1115 N MET A 86 -8.160 17.968 -4.484 1.00 0.00 N ATOM 1116 CA MET A 86 -8.930 16.834 -3.943 1.00 0.00 C ATOM 1117 C MET A 86 -8.669 15.587 -4.783 1.00 0.00 C ATOM 1118 O MET A 86 -8.407 14.508 -4.248 1.00 0.00 O ATOM 1119 CB MET A 86 -10.471 17.165 -3.940 1.00 0.00 C ATOM 1120 CG MET A 86 -10.877 17.978 -5.208 1.00 0.00 C ATOM 1121 SD MET A 86 -12.684 18.110 -5.350 1.00 0.00 S ATOM 1122 CE MET A 86 -13.028 19.122 -3.889 1.00 0.00 C ATOM 0 H MET A 86 -8.730 18.772 -4.749 1.00 0.00 H new ATOM 0 HA MET A 86 -8.611 16.652 -2.917 1.00 0.00 H new ATOM 0 HB2 MET A 86 -11.044 16.239 -3.900 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.721 17.734 -3.045 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.439 18.975 -5.160 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.474 17.495 -6.098 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.869 19.784 -4.095 1.00 0.00 H new ATOM 0 HE2 MET A 86 -13.273 18.474 -3.047 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.149 19.718 -3.644 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.775 15.750 -6.105 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.593 14.648 -7.031 1.00 0.00 C ATOM 1134 C LYS A 87 -7.208 14.054 -6.852 1.00 0.00 C ATOM 1135 O LYS A 87 -7.040 12.835 -6.838 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.762 15.148 -8.494 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.711 13.947 -9.486 1.00 0.00 C ATOM 1138 CD LYS A 87 -8.895 14.422 -10.946 1.00 0.00 C ATOM 1139 CE LYS A 87 -8.855 13.207 -11.904 1.00 0.00 C ATOM 1140 NZ LYS A 87 -9.034 13.690 -13.289 1.00 0.00 N ATOM 0 H LYS A 87 -8.987 16.642 -6.552 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.344 13.885 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.711 15.674 -8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.974 15.861 -8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.757 13.429 -9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.491 13.229 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.845 14.947 -11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.109 15.130 -11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.906 12.680 -11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.641 12.497 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.009 12.883 -13.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.950 14.175 -13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.269 14.353 -13.527 1.00 0.00 H new ATOM 1154 N MET A 88 -6.219 14.939 -6.713 1.00 0.00 N ATOM 1155 CA MET A 88 -4.838 14.508 -6.536 1.00 0.00 C ATOM 1156 C MET A 88 -4.683 13.749 -5.216 1.00 0.00 C ATOM 1157 O MET A 88 -4.301 12.590 -5.218 1.00 0.00 O ATOM 1158 CB MET A 88 -3.879 15.728 -6.557 1.00 0.00 C ATOM 1159 CG MET A 88 -2.376 15.282 -6.327 1.00 0.00 C ATOM 1160 SD MET A 88 -1.975 15.244 -4.544 1.00 0.00 S ATOM 1161 CE MET A 88 -1.471 16.974 -4.348 1.00 0.00 C ATOM 0 H MET A 88 -6.351 15.950 -6.720 1.00 0.00 H new ATOM 0 HA MET A 88 -4.579 13.844 -7.361 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.965 16.245 -7.513 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.173 16.438 -5.783 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.214 14.296 -6.762 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.705 15.971 -6.841 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.184 17.154 -3.312 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.623 17.182 -5.001 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.302 17.627 -4.613 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.998 14.411 -4.091 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.879 13.786 -2.762 1.00 0.00 C ATOM 1173 C ALA A 89 -5.510 12.382 -2.736 1.00 0.00 C ATOM 1174 O ALA A 89 -4.961 11.453 -2.140 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.561 14.693 -1.711 1.00 0.00 C ATOM 0 H ALA A 89 -5.335 15.373 -4.074 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.820 13.674 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.476 14.235 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.074 15.668 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.614 14.815 -1.965 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.655 12.246 -3.407 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.370 10.967 -3.491 1.00 0.00 C ATOM 1183 C HIS A 90 -6.633 10.010 -4.421 1.00 0.00 C ATOM 1184 O HIS A 90 -6.684 8.794 -4.236 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.806 11.221 -4.016 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.534 12.178 -3.098 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -10.814 12.627 -3.374 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -9.179 12.775 -1.907 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -11.179 13.450 -2.376 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -10.218 13.575 -1.458 1.00 0.00 N ATOM 0 H HIS A 90 -7.111 13.011 -3.904 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.419 10.514 -2.501 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.765 11.632 -5.025 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.351 10.279 -4.078 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.235 12.640 -1.401 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.135 13.950 -2.323 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.243 14.139 -0.608 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.961 10.573 -5.439 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.227 9.759 -6.422 1.00 0.00 C ATOM 1200 C ASP A 91 -4.128 8.954 -5.733 1.00 0.00 C ATOM 1201 O ASP A 91 -3.918 7.787 -6.043 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.607 10.647 -7.540 1.00 0.00 C ATOM 1203 CG ASP A 91 -4.053 9.779 -8.683 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -4.764 8.887 -9.115 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -2.930 10.014 -9.101 1.00 0.00 O ATOM 0 H ASP A 91 -5.911 11.579 -5.602 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.939 9.074 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.362 11.330 -7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.808 11.260 -7.123 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.414 9.605 -4.806 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.302 8.961 -4.087 1.00 0.00 C ATOM 1212 C LEU A 92 -2.748 7.626 -3.498 1.00 0.00 C ATOM 1213 O LEU A 92 -2.177 6.583 -3.809 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.794 9.902 -2.933 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.718 10.927 -3.432 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -1.304 11.858 -4.523 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -0.199 11.776 -2.233 1.00 0.00 C ATOM 0 H LEU A 92 -3.584 10.574 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.491 8.781 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.640 10.444 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.371 9.295 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 92 0.111 10.369 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.538 12.560 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.637 11.260 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.150 12.410 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.548 12.486 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.031 12.318 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.249 11.118 -1.488 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.783 7.671 -2.659 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.300 6.459 -2.033 1.00 0.00 C ATOM 1231 C GLU A 93 -4.928 5.552 -3.091 1.00 0.00 C ATOM 1232 O GLU A 93 -4.723 4.339 -3.082 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.342 6.829 -0.949 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.722 5.576 -0.106 1.00 0.00 C ATOM 1235 CD GLU A 93 -6.742 5.937 0.971 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -7.916 5.988 0.648 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -6.334 6.163 2.100 1.00 0.00 O ATOM 0 H GLU A 93 -4.275 8.526 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.478 5.922 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.938 7.604 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.234 7.242 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.132 4.804 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.828 5.159 0.358 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.725 6.149 -3.989 1.00 0.00 N ATOM 1245 CA GLY A 94 -6.414 5.383 -5.037 1.00 0.00 C ATOM 1246 C GLY A 94 -5.446 4.470 -5.792 1.00 0.00 C ATOM 1247 O GLY A 94 -5.705 3.277 -5.961 1.00 0.00 O ATOM 0 H GLY A 94 -5.907 7.152 -4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.207 4.784 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.890 6.069 -5.737 1.00 0.00 H new ATOM 1251 N GLN A 95 -4.318 5.044 -6.215 1.00 0.00 N ATOM 1252 CA GLN A 95 -3.279 4.295 -6.925 1.00 0.00 C ATOM 1253 C GLN A 95 -2.574 3.333 -5.974 1.00 0.00 C ATOM 1254 O GLN A 95 -2.161 2.254 -6.377 1.00 0.00 O ATOM 1255 CB GLN A 95 -2.244 5.284 -7.523 1.00 0.00 C ATOM 1256 CG GLN A 95 -2.906 6.164 -8.615 1.00 0.00 C ATOM 1257 CD GLN A 95 -1.902 7.179 -9.160 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -1.388 8.061 -8.346 1.00 0.00 O flip ATOM 1259 NE2 GLN A 95 -1.564 7.155 -10.344 1.00 0.00 N flip ATOM 0 H GLN A 95 -4.100 6.031 -6.077 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.744 3.721 -7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.838 5.917 -6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.408 4.731 -7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.273 5.535 -9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.769 6.684 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.968 6.464 -10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.880 7.826 -10.693 1.00 0.00 H new ATOM 1268 N LYS A 96 -2.407 3.737 -4.707 1.00 0.00 N ATOM 1269 CA LYS A 96 -1.704 2.911 -3.729 1.00 0.00 C ATOM 1270 C LYS A 96 -2.346 1.534 -3.623 1.00 0.00 C ATOM 1271 O LYS A 96 -1.654 0.525 -3.525 1.00 0.00 O ATOM 1272 CB LYS A 96 -1.714 3.610 -2.343 1.00 0.00 C ATOM 1273 CG LYS A 96 -0.696 2.942 -1.383 1.00 0.00 C ATOM 1274 CD LYS A 96 -0.689 3.663 -0.008 1.00 0.00 C ATOM 1275 CE LYS A 96 0.337 2.989 0.929 1.00 0.00 C ATOM 1276 NZ LYS A 96 1.683 3.081 0.296 1.00 0.00 N ATOM 0 H LYS A 96 -2.749 4.626 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.673 2.784 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.471 4.666 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.714 3.560 -1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.951 1.891 -1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.301 2.974 -1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.439 4.716 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.683 3.625 0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.341 3.480 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.068 1.946 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.385 3.359 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.943 2.156 -0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.662 3.792 -0.463 1.00 0.00 H new ATOM 1290 N SER A 97 -3.681 1.511 -3.651 1.00 0.00 N ATOM 1291 CA SER A 97 -4.437 0.259 -3.564 1.00 0.00 C ATOM 1292 C SER A 97 -4.088 -0.663 -4.735 1.00 0.00 C ATOM 1293 O SER A 97 -3.896 -1.866 -4.551 1.00 0.00 O ATOM 1294 CB SER A 97 -5.946 0.568 -3.575 1.00 0.00 C ATOM 1295 OG SER A 97 -6.255 1.374 -2.449 1.00 0.00 O ATOM 0 H SER A 97 -4.261 2.346 -3.733 1.00 0.00 H new ATOM 0 HA SER A 97 -4.174 -0.247 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.219 1.084 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 97 -6.521 -0.357 -3.546 1.00 0.00 H new ATOM 0 HG SER A 97 -7.213 1.579 -2.446 1.00 0.00 H new ATOM 1301 N ASP A 98 -4.013 -0.079 -5.941 1.00 0.00 N ATOM 1302 CA ASP A 98 -3.699 -0.841 -7.155 1.00 0.00 C ATOM 1303 C ASP A 98 -2.302 -1.458 -7.050 1.00 0.00 C ATOM 1304 O ASP A 98 -2.121 -2.647 -7.287 1.00 0.00 O ATOM 1305 CB ASP A 98 -3.775 0.099 -8.391 1.00 0.00 C ATOM 1306 CG ASP A 98 -5.186 0.690 -8.527 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -6.135 -0.010 -8.211 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -5.295 1.834 -8.940 1.00 0.00 O ATOM 0 H ASP A 98 -4.166 0.917 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.425 -1.646 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.045 0.902 -8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.517 -0.455 -9.294 1.00 0.00 H new ATOM 1313 N LEU A 99 -1.323 -0.635 -6.679 1.00 0.00 N ATOM 1314 CA LEU A 99 0.066 -1.099 -6.533 1.00 0.00 C ATOM 1315 C LEU A 99 0.217 -2.018 -5.343 1.00 0.00 C ATOM 1316 O LEU A 99 0.885 -3.039 -5.435 1.00 0.00 O ATOM 1317 CB LEU A 99 1.024 0.133 -6.422 1.00 0.00 C ATOM 1318 CG LEU A 99 1.419 0.673 -7.849 1.00 0.00 C ATOM 1319 CD1 LEU A 99 2.321 -0.366 -8.639 1.00 0.00 C ATOM 1320 CD2 LEU A 99 0.128 1.037 -8.665 1.00 0.00 C ATOM 0 H LEU A 99 -1.460 0.355 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 99 0.336 -1.675 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.539 0.925 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.923 -0.149 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 99 2.014 1.577 -7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.573 0.042 -9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.236 -0.554 -8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.774 -1.301 -8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.413 1.409 -9.649 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.493 0.149 -8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.433 1.806 -8.134 1.00 0.00 H new ATOM 1332 N ASN A 100 -0.406 -1.666 -4.233 1.00 0.00 N ATOM 1333 CA ASN A 100 -0.313 -2.480 -3.024 1.00 0.00 C ATOM 1334 C ASN A 100 -0.795 -3.912 -3.300 1.00 0.00 C ATOM 1335 O ASN A 100 -0.127 -4.884 -2.929 1.00 0.00 O ATOM 1336 CB ASN A 100 -1.180 -1.831 -1.928 1.00 0.00 C ATOM 1337 CG ASN A 100 -1.301 -2.743 -0.708 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -0.414 -3.559 -0.441 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -2.366 -2.662 0.019 1.00 0.00 N ATOM 0 H ASN A 100 -0.980 -0.828 -4.139 1.00 0.00 H new ATOM 0 HA ASN A 100 0.725 -2.531 -2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.742 -0.878 -1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.172 -1.616 -2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.481 -3.277 0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -3.091 -1.983 -0.213 1.00 0.00 H new ATOM 1346 N ASN A 101 -1.961 -4.028 -3.944 1.00 0.00 N ATOM 1347 CA ASN A 101 -2.536 -5.342 -4.244 1.00 0.00 C ATOM 1348 C ASN A 101 -1.679 -6.092 -5.271 1.00 0.00 C ATOM 1349 O ASN A 101 -1.234 -7.214 -5.020 1.00 0.00 O ATOM 1350 CB ASN A 101 -3.977 -5.175 -4.783 1.00 0.00 C ATOM 1351 CG ASN A 101 -4.597 -6.548 -5.067 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -4.485 -7.065 -6.178 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -5.210 -7.179 -4.107 1.00 0.00 N ATOM 0 H ASN A 101 -2.520 -3.237 -4.264 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.559 -5.925 -3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.585 -4.636 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.965 -4.577 -5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.600 -8.107 -4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.300 -6.746 -3.188 1.00 0.00 H new ATOM 1360 N GLN A 102 -1.475 -5.462 -6.436 1.00 0.00 N ATOM 1361 CA GLN A 102 -0.696 -6.064 -7.529 1.00 0.00 C ATOM 1362 C GLN A 102 0.632 -6.568 -7.014 1.00 0.00 C ATOM 1363 O GLN A 102 1.107 -7.631 -7.426 1.00 0.00 O ATOM 1364 CB GLN A 102 -0.457 -5.000 -8.638 1.00 0.00 C ATOM 1365 CG GLN A 102 -1.779 -4.690 -9.411 1.00 0.00 C ATOM 1366 CD GLN A 102 -2.128 -5.845 -10.345 1.00 0.00 C ATOM 1367 OE1 GLN A 102 -2.845 -6.767 -9.956 1.00 0.00 O ATOM 1368 NE2 GLN A 102 -1.637 -5.854 -11.550 1.00 0.00 N ATOM 0 H GLN A 102 -1.839 -4.533 -6.647 1.00 0.00 H new ATOM 0 HA GLN A 102 -1.253 -6.906 -7.940 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.070 -4.084 -8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.300 -5.360 -9.335 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.592 -4.526 -8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -1.666 -3.770 -9.985 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.044 -5.086 -11.865 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.845 -6.629 -12.180 1.00 0.00 H new ATOM 1377 N LEU A 103 1.240 -5.793 -6.108 1.00 0.00 N ATOM 1378 CA LEU A 103 2.527 -6.171 -5.550 1.00 0.00 C ATOM 1379 C LEU A 103 2.440 -7.560 -4.909 1.00 0.00 C ATOM 1380 O LEU A 103 3.101 -8.483 -5.371 1.00 0.00 O ATOM 1381 CB LEU A 103 2.983 -5.131 -4.487 1.00 0.00 C ATOM 1382 CG LEU A 103 4.483 -5.384 -4.030 1.00 0.00 C ATOM 1383 CD1 LEU A 103 5.475 -4.733 -5.037 1.00 0.00 C ATOM 1384 CD2 LEU A 103 4.719 -4.815 -2.602 1.00 0.00 C ATOM 0 H LEU A 103 0.862 -4.914 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 103 3.258 -6.196 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.892 -4.126 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.324 -5.182 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 103 4.660 -6.459 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.498 -4.916 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.328 -5.168 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.295 -3.659 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.752 -4.997 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.524 -3.743 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.047 -5.306 -1.899 1.00 0.00 H new