USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 429 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 ASN : amide:sc= -3.39 K(o=-5.7,f=-7.9!) USER MOD Set 1.2: A 40 TYR OH : rot 165:sc= -0.245 USER MOD Set 1.3: A 43 GLN : amide:sc= -1.54 K(o=-5.7,f=-4.1) USER MOD Set 1.4: A 44 ASN : amide:sc= -0.504 K(o=-5.7,f=-4.8) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.024) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.14) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 147:sc= -0.368 (180deg=-1.14) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.37) USER MOD Single : A 47 HIS : no HE2:sc= -0.956 K(o=-0.96,f=-3.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -110:sc= -0.974 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.355 X(o=0.35,f=-0.006) USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 6 -14.001 -4.316 8.380 1.00 1.13 N ATOM 66 CA ASP A 6 -14.745 -3.403 9.240 1.00 32.34 C ATOM 67 C ASP A 6 -14.062 -2.041 9.307 1.00 13.21 C ATOM 68 O ASP A 6 -14.428 -1.190 10.119 1.00 61.21 O ATOM 69 CB ASP A 6 -14.880 -3.989 10.647 1.00 62.53 C ATOM 70 CG ASP A 6 -16.099 -3.464 11.379 1.00 71.14 C ATOM 71 OD1 ASP A 6 -17.183 -3.409 10.761 1.00 0.33 O ATOM 72 OD2 ASP A 6 -15.969 -3.107 12.569 1.00 72.54 O ATOM 0 HA ASP A 6 -15.739 -3.270 8.813 1.00 32.34 H new ATOM 0 HB2 ASP A 6 -14.940 -5.075 10.581 1.00 62.53 H new ATOM 0 HB3 ASP A 6 -13.985 -3.754 11.223 1.00 62.53 H new ATOM 77 N CYS A 7 -13.068 -1.841 8.449 1.00 43.41 N ATOM 78 CA CYS A 7 -12.332 -0.583 8.410 1.00 2.34 C ATOM 79 C CYS A 7 -11.811 -0.300 7.004 1.00 21.02 C ATOM 80 O CYS A 7 -11.307 -1.196 6.327 1.00 54.50 O ATOM 81 CB CYS A 7 -11.166 -0.619 9.400 1.00 23.43 C ATOM 82 SG CYS A 7 -10.212 0.930 9.483 1.00 44.20 S ATOM 0 H CYS A 7 -12.753 -2.535 7.771 1.00 43.41 H new ATOM 0 HA CYS A 7 -13.016 0.217 8.693 1.00 2.34 H new ATOM 0 HB2 CYS A 7 -11.553 -0.848 10.393 1.00 23.43 H new ATOM 0 HB3 CYS A 7 -10.495 -1.432 9.124 1.00 23.43 H new ATOM 87 N GLU A 8 -11.936 0.951 6.573 1.00 11.31 N ATOM 88 CA GLU A 8 -11.478 1.351 5.248 1.00 55.33 C ATOM 89 C GLU A 8 -10.516 2.532 5.338 1.00 54.33 C ATOM 90 O GLU A 8 -10.733 3.487 6.085 1.00 74.25 O ATOM 91 CB GLU A 8 -12.671 1.717 4.361 1.00 44.00 C ATOM 92 CG GLU A 8 -12.272 2.257 2.998 1.00 73.23 C ATOM 93 CD GLU A 8 -13.452 2.808 2.221 1.00 11.31 C ATOM 94 OE1 GLU A 8 -14.419 2.051 1.994 1.00 24.52 O ATOM 95 OE2 GLU A 8 -13.409 3.997 1.840 1.00 32.41 O ATOM 0 H GLU A 8 -12.350 1.704 7.122 1.00 11.31 H new ATOM 0 HA GLU A 8 -10.949 0.507 4.804 1.00 55.33 H new ATOM 0 HB2 GLU A 8 -13.296 0.834 4.224 1.00 44.00 H new ATOM 0 HB3 GLU A 8 -13.279 2.462 4.874 1.00 44.00 H new ATOM 0 HG2 GLU A 8 -11.527 3.043 3.126 1.00 73.23 H new ATOM 0 HG3 GLU A 8 -11.800 1.462 2.420 1.00 73.23 H new ATOM 102 N PRO A 9 -9.426 2.467 4.559 1.00 11.51 N ATOM 103 CA PRO A 9 -8.409 3.522 4.532 1.00 5.35 C ATOM 104 C PRO A 9 -8.918 4.803 3.880 1.00 11.14 C ATOM 105 O PRO A 9 -9.206 4.831 2.684 1.00 43.14 O ATOM 106 CB PRO A 9 -7.283 2.908 3.697 1.00 42.13 C ATOM 107 CG PRO A 9 -7.959 1.901 2.832 1.00 31.33 C ATOM 108 CD PRO A 9 -9.103 1.360 3.644 1.00 32.33 C ATOM 0 HA PRO A 9 -8.102 3.817 5.535 1.00 5.35 H new ATOM 0 HB2 PRO A 9 -6.775 3.665 3.100 1.00 42.13 H new ATOM 0 HB3 PRO A 9 -6.528 2.443 4.331 1.00 42.13 H new ATOM 0 HG2 PRO A 9 -8.317 2.357 1.909 1.00 31.33 H new ATOM 0 HG3 PRO A 9 -7.271 1.105 2.549 1.00 31.33 H new ATOM 0 HD2 PRO A 9 -9.954 1.098 3.015 1.00 32.33 H new ATOM 0 HD3 PRO A 9 -8.819 0.459 4.188 1.00 32.33 H new ATOM 116 N LYS A 10 -9.027 5.863 4.675 1.00 75.34 N ATOM 117 CA LYS A 10 -9.501 7.148 4.175 1.00 3.21 C ATOM 118 C LYS A 10 -8.424 8.218 4.320 1.00 4.44 C ATOM 119 O LYS A 10 -8.467 9.252 3.652 1.00 10.33 O ATOM 120 CB LYS A 10 -10.764 7.576 4.925 1.00 53.20 C ATOM 121 CG LYS A 10 -11.618 8.572 4.159 1.00 1.35 C ATOM 122 CD LYS A 10 -13.100 8.299 4.350 1.00 33.31 C ATOM 123 CE LYS A 10 -13.898 8.656 3.105 1.00 64.40 C ATOM 124 NZ LYS A 10 -14.796 9.821 3.336 1.00 24.25 N ATOM 0 H LYS A 10 -8.793 5.857 5.668 1.00 75.34 H new ATOM 0 HA LYS A 10 -9.736 7.034 3.117 1.00 3.21 H new ATOM 0 HB2 LYS A 10 -11.362 6.692 5.147 1.00 53.20 H new ATOM 0 HB3 LYS A 10 -10.478 8.015 5.881 1.00 53.20 H new ATOM 0 HG2 LYS A 10 -11.387 9.583 4.494 1.00 1.35 H new ATOM 0 HG3 LYS A 10 -11.372 8.523 3.098 1.00 1.35 H new ATOM 0 HD2 LYS A 10 -13.249 7.246 4.589 1.00 33.31 H new ATOM 0 HD3 LYS A 10 -13.471 8.874 5.198 1.00 33.31 H new ATOM 0 HE2 LYS A 10 -13.213 8.882 2.287 1.00 64.40 H new ATOM 0 HE3 LYS A 10 -14.492 7.796 2.795 1.00 64.40 H new ATOM 0 HZ1 LYS A 10 -15.322 10.032 2.464 1.00 24.25 H new ATOM 0 HZ2 LYS A 10 -15.466 9.597 4.099 1.00 24.25 H new ATOM 0 HZ3 LYS A 10 -14.228 10.649 3.607 1.00 24.25 H new ATOM 138 N LEU A 11 -7.457 7.964 5.196 1.00 74.42 N ATOM 139 CA LEU A 11 -6.367 8.905 5.428 1.00 72.14 C ATOM 140 C LEU A 11 -5.394 8.365 6.470 1.00 22.33 C ATOM 141 O LEU A 11 -5.774 8.096 7.610 1.00 14.02 O ATOM 142 CB LEU A 11 -6.922 10.256 5.883 1.00 62.05 C ATOM 143 CG LEU A 11 -6.407 11.482 5.127 1.00 21.41 C ATOM 144 CD1 LEU A 11 -7.532 12.479 4.899 1.00 42.34 C ATOM 145 CD2 LEU A 11 -5.260 12.133 5.886 1.00 62.11 C ATOM 0 H LEU A 11 -7.406 7.114 5.757 1.00 74.42 H new ATOM 0 HA LEU A 11 -5.828 9.038 4.490 1.00 72.14 H new ATOM 0 HB2 LEU A 11 -8.008 10.229 5.794 1.00 62.05 H new ATOM 0 HB3 LEU A 11 -6.692 10.383 6.941 1.00 62.05 H new ATOM 0 HG LEU A 11 -6.035 11.157 4.155 1.00 21.41 H new ATOM 0 HD11 LEU A 11 -7.147 13.345 4.360 1.00 42.34 H new ATOM 0 HD12 LEU A 11 -8.322 12.009 4.314 1.00 42.34 H new ATOM 0 HD13 LEU A 11 -7.934 12.799 5.860 1.00 42.34 H new ATOM 0 HD21 LEU A 11 -4.906 13.003 5.334 1.00 62.11 H new ATOM 0 HD22 LEU A 11 -5.606 12.445 6.871 1.00 62.11 H new ATOM 0 HD23 LEU A 11 -4.445 11.418 5.997 1.00 62.11 H new ATOM 157 N CYS A 12 -4.135 8.210 6.073 1.00 33.31 N ATOM 158 CA CYS A 12 -3.106 7.704 6.973 1.00 62.43 C ATOM 159 C CYS A 12 -1.712 8.035 6.446 1.00 14.12 C ATOM 160 O CYS A 12 -1.565 8.657 5.393 1.00 34.23 O ATOM 161 CB CYS A 12 -3.250 6.191 7.147 1.00 34.52 C ATOM 162 SG CYS A 12 -3.503 5.283 5.588 1.00 42.00 S ATOM 0 H CYS A 12 -3.803 8.428 5.133 1.00 33.31 H new ATOM 0 HA CYS A 12 -3.235 8.189 7.941 1.00 62.43 H new ATOM 0 HB2 CYS A 12 -2.356 5.806 7.638 1.00 34.52 H new ATOM 0 HB3 CYS A 12 -4.090 5.991 7.812 1.00 34.52 H new ATOM 167 N THR A 13 -0.691 7.615 7.186 1.00 3.41 N ATOM 168 CA THR A 13 0.690 7.868 6.795 1.00 25.25 C ATOM 169 C THR A 13 1.413 6.568 6.458 1.00 55.42 C ATOM 170 O THR A 13 1.179 5.536 7.086 1.00 2.54 O ATOM 171 CB THR A 13 1.465 8.598 7.909 1.00 31.31 C ATOM 172 OG1 THR A 13 1.154 8.020 9.182 1.00 61.42 O ATOM 173 CG2 THR A 13 1.124 10.080 7.923 1.00 50.20 C ATOM 0 H THR A 13 -0.794 7.098 8.059 1.00 3.41 H new ATOM 0 HA THR A 13 0.656 8.503 5.910 1.00 25.25 H new ATOM 0 HB THR A 13 2.531 8.488 7.711 1.00 31.31 H new ATOM 0 HG1 THR A 13 1.652 8.488 9.884 1.00 61.42 H new ATOM 0 HG21 THR A 13 1.683 10.574 8.717 1.00 50.20 H new ATOM 0 HG22 THR A 13 1.389 10.523 6.963 1.00 50.20 H new ATOM 0 HG23 THR A 13 0.056 10.206 8.099 1.00 50.20 H new ATOM 181 N MET A 14 2.291 6.626 5.462 1.00 53.41 N ATOM 182 CA MET A 14 3.048 5.453 5.043 1.00 45.14 C ATOM 183 C MET A 14 4.279 5.258 5.922 1.00 4.11 C ATOM 184 O MET A 14 5.403 5.181 5.425 1.00 1.30 O ATOM 185 CB MET A 14 3.470 5.588 3.578 1.00 11.41 C ATOM 186 CG MET A 14 4.312 6.823 3.300 1.00 61.24 C ATOM 187 SD MET A 14 5.840 6.438 2.424 1.00 64.23 S ATOM 188 CE MET A 14 6.988 7.542 3.244 1.00 60.42 C ATOM 0 H MET A 14 2.495 7.472 4.931 1.00 53.41 H new ATOM 0 HA MET A 14 2.405 4.580 5.150 1.00 45.14 H new ATOM 0 HB2 MET A 14 4.033 4.701 3.287 1.00 11.41 H new ATOM 0 HB3 MET A 14 2.578 5.618 2.953 1.00 11.41 H new ATOM 0 HG2 MET A 14 3.729 7.531 2.711 1.00 61.24 H new ATOM 0 HG3 MET A 14 4.552 7.314 4.243 1.00 61.24 H new ATOM 0 HE1 MET A 14 7.981 7.421 2.812 1.00 60.42 H new ATOM 0 HE2 MET A 14 6.658 8.573 3.113 1.00 60.42 H new ATOM 0 HE3 MET A 14 7.024 7.305 4.307 1.00 60.42 H new ATOM 198 N ASP A 15 4.060 5.179 7.230 1.00 50.11 N ATOM 199 CA ASP A 15 5.152 4.992 8.178 1.00 12.34 C ATOM 200 C ASP A 15 5.891 3.686 7.906 1.00 33.21 C ATOM 201 O ASP A 15 5.674 3.040 6.880 1.00 71.30 O ATOM 202 CB ASP A 15 4.618 5.001 9.612 1.00 53.54 C ATOM 203 CG ASP A 15 5.544 5.723 10.570 1.00 3.31 C ATOM 204 OD1 ASP A 15 6.773 5.518 10.476 1.00 12.12 O ATOM 205 OD2 ASP A 15 5.041 6.494 11.414 1.00 41.23 O ATOM 0 H ASP A 15 3.136 5.242 7.658 1.00 50.11 H new ATOM 0 HA ASP A 15 5.853 5.817 8.054 1.00 12.34 H new ATOM 0 HB2 ASP A 15 3.638 5.479 9.629 1.00 53.54 H new ATOM 0 HB3 ASP A 15 4.478 3.975 9.951 1.00 53.54 H new ATOM 210 N LEU A 16 6.765 3.303 8.830 1.00 34.33 N ATOM 211 CA LEU A 16 7.537 2.073 8.690 1.00 42.22 C ATOM 212 C LEU A 16 7.727 1.392 10.041 1.00 2.13 C ATOM 213 O LEU A 16 8.800 0.866 10.338 1.00 0.20 O ATOM 214 CB LEU A 16 8.899 2.372 8.061 1.00 40.43 C ATOM 215 CG LEU A 16 9.458 1.297 7.128 1.00 5.35 C ATOM 216 CD1 LEU A 16 9.002 1.541 5.698 1.00 23.23 C ATOM 217 CD2 LEU A 16 10.978 1.261 7.207 1.00 52.42 C ATOM 0 H LEU A 16 6.957 3.826 9.684 1.00 34.33 H new ATOM 0 HA LEU A 16 6.983 1.397 8.039 1.00 42.22 H new ATOM 0 HB2 LEU A 16 8.822 3.305 7.503 1.00 40.43 H new ATOM 0 HB3 LEU A 16 9.618 2.539 8.863 1.00 40.43 H new ATOM 0 HG LEU A 16 9.074 0.329 7.449 1.00 5.35 H new ATOM 0 HD11 LEU A 16 9.410 0.766 5.049 1.00 23.23 H new ATOM 0 HD12 LEU A 16 7.913 1.516 5.654 1.00 23.23 H new ATOM 0 HD13 LEU A 16 9.356 2.517 5.365 1.00 23.23 H new ATOM 0 HD21 LEU A 16 11.359 0.490 6.537 1.00 52.42 H new ATOM 0 HD22 LEU A 16 11.381 2.230 6.912 1.00 52.42 H new ATOM 0 HD23 LEU A 16 11.284 1.037 8.229 1.00 52.42 H new ATOM 229 N VAL A 17 6.678 1.404 10.857 1.00 74.31 N ATOM 230 CA VAL A 17 6.727 0.784 12.176 1.00 44.31 C ATOM 231 C VAL A 17 5.983 -0.546 12.187 1.00 63.24 C ATOM 232 O VAL A 17 4.758 -0.600 12.295 1.00 1.13 O ATOM 233 CB VAL A 17 6.124 1.706 13.252 1.00 12.21 C ATOM 234 CG1 VAL A 17 6.339 1.121 14.639 1.00 24.42 C ATOM 235 CG2 VAL A 17 6.722 3.101 13.154 1.00 2.44 C ATOM 0 H VAL A 17 5.783 1.837 10.628 1.00 74.31 H new ATOM 0 HA VAL A 17 7.778 0.610 12.405 1.00 44.31 H new ATOM 0 HB VAL A 17 5.051 1.783 13.079 1.00 12.21 H new ATOM 0 HG11 VAL A 17 5.906 1.787 15.386 1.00 24.42 H new ATOM 0 HG12 VAL A 17 5.858 0.145 14.701 1.00 24.42 H new ATOM 0 HG13 VAL A 17 7.407 1.012 14.826 1.00 24.42 H new ATOM 0 HG21 VAL A 17 6.284 3.739 13.922 1.00 2.44 H new ATOM 0 HG22 VAL A 17 7.801 3.045 13.300 1.00 2.44 H new ATOM 0 HG23 VAL A 17 6.510 3.520 12.170 1.00 2.44 H new ATOM 245 N PRO A 18 6.740 -1.648 12.072 1.00 54.03 N ATOM 246 CA PRO A 18 6.173 -3.000 12.067 1.00 61.04 C ATOM 247 C PRO A 18 5.621 -3.402 13.430 1.00 60.41 C ATOM 248 O PRO A 18 6.356 -3.458 14.417 1.00 72.44 O ATOM 249 CB PRO A 18 7.366 -3.883 11.691 1.00 52.10 C ATOM 250 CG PRO A 18 8.562 -3.108 12.124 1.00 1.20 C ATOM 251 CD PRO A 18 8.206 -1.659 11.939 1.00 41.35 C ATOM 0 HA PRO A 18 5.329 -3.086 11.383 1.00 61.04 H new ATOM 0 HB2 PRO A 18 7.317 -4.849 12.193 1.00 52.10 H new ATOM 0 HB3 PRO A 18 7.389 -4.082 10.619 1.00 52.10 H new ATOM 0 HG2 PRO A 18 8.808 -3.320 13.165 1.00 1.20 H new ATOM 0 HG3 PRO A 18 9.436 -3.374 11.529 1.00 1.20 H new ATOM 0 HD2 PRO A 18 8.682 -1.029 12.690 1.00 41.35 H new ATOM 0 HD3 PRO A 18 8.524 -1.288 10.964 1.00 41.35 H new ATOM 259 N HIS A 19 4.322 -3.682 13.478 1.00 24.33 N ATOM 260 CA HIS A 19 3.672 -4.081 14.722 1.00 41.15 C ATOM 261 C HIS A 19 2.696 -5.228 14.480 1.00 20.54 C ATOM 262 O HIS A 19 2.325 -5.513 13.341 1.00 1.11 O ATOM 263 CB HIS A 19 2.937 -2.892 15.341 1.00 74.11 C ATOM 264 CG HIS A 19 3.681 -2.250 16.471 1.00 33.43 C ATOM 265 ND1 HIS A 19 3.819 -0.885 16.602 1.00 42.31 N ATOM 266 CD2 HIS A 19 4.328 -2.795 17.528 1.00 73.41 C ATOM 267 CE1 HIS A 19 4.521 -0.618 17.689 1.00 13.50 C ATOM 268 NE2 HIS A 19 4.841 -1.760 18.269 1.00 1.14 N ATOM 0 H HIS A 19 3.699 -3.640 12.671 1.00 24.33 H new ATOM 0 HA HIS A 19 4.442 -4.422 15.414 1.00 41.15 H new ATOM 0 HB2 HIS A 19 2.754 -2.146 14.568 1.00 74.11 H new ATOM 0 HB3 HIS A 19 1.963 -3.225 15.701 1.00 74.11 H new ATOM 0 HD2 HIS A 19 4.423 -3.848 17.747 1.00 73.41 H new ATOM 0 HE1 HIS A 19 4.788 0.367 18.043 1.00 13.50 H new ATOM 0 HE2 HIS A 19 5.382 -1.857 19.128 1.00 1.14 H new ATOM 276 N CYS A 20 2.284 -5.885 15.560 1.00 62.13 N ATOM 277 CA CYS A 20 1.353 -7.003 15.466 1.00 15.44 C ATOM 278 C CYS A 20 -0.067 -6.558 15.809 1.00 45.34 C ATOM 279 O CYS A 20 -0.280 -5.802 16.757 1.00 52.24 O ATOM 280 CB CYS A 20 1.784 -8.133 16.403 1.00 61.14 C ATOM 281 SG CYS A 20 1.241 -9.788 15.870 1.00 73.25 S ATOM 0 H CYS A 20 2.581 -5.662 16.510 1.00 62.13 H new ATOM 0 HA CYS A 20 1.364 -7.367 14.439 1.00 15.44 H new ATOM 0 HB2 CYS A 20 2.871 -8.128 16.485 1.00 61.14 H new ATOM 0 HB3 CYS A 20 1.388 -7.936 17.399 1.00 61.14 H new ATOM 286 N PHE A 21 -1.033 -7.032 15.030 1.00 33.31 N ATOM 287 CA PHE A 21 -2.432 -6.684 15.250 1.00 51.54 C ATOM 288 C PHE A 21 -3.335 -7.894 15.031 1.00 52.11 C ATOM 289 O PHE A 21 -2.932 -8.881 14.414 1.00 4.14 O ATOM 290 CB PHE A 21 -2.849 -5.546 14.315 1.00 70.45 C ATOM 291 CG PHE A 21 -1.828 -4.450 14.211 1.00 25.14 C ATOM 292 CD1 PHE A 21 -0.779 -4.545 13.311 1.00 42.31 C ATOM 293 CD2 PHE A 21 -1.916 -3.325 15.015 1.00 22.15 C ATOM 294 CE1 PHE A 21 0.163 -3.537 13.213 1.00 32.52 C ATOM 295 CE2 PHE A 21 -0.978 -2.315 14.922 1.00 44.41 C ATOM 296 CZ PHE A 21 0.064 -2.421 14.021 1.00 74.44 C ATOM 0 H PHE A 21 -0.873 -7.658 14.241 1.00 33.31 H new ATOM 0 HA PHE A 21 -2.540 -6.355 16.283 1.00 51.54 H new ATOM 0 HB2 PHE A 21 -3.036 -5.953 13.321 1.00 70.45 H new ATOM 0 HB3 PHE A 21 -3.790 -5.123 14.668 1.00 70.45 H new ATOM 0 HD1 PHE A 21 -0.696 -5.416 12.678 1.00 42.31 H new ATOM 0 HD2 PHE A 21 -2.727 -3.237 15.723 1.00 22.15 H new ATOM 0 HE1 PHE A 21 0.975 -3.622 12.506 1.00 32.52 H new ATOM 0 HE2 PHE A 21 -1.059 -1.443 15.554 1.00 44.41 H new ATOM 0 HZ PHE A 21 0.799 -1.633 13.949 1.00 74.44 H new ATOM 306 N LEU A 22 -4.559 -7.811 15.541 1.00 51.12 N ATOM 307 CA LEU A 22 -5.521 -8.899 15.403 1.00 41.04 C ATOM 308 C LEU A 22 -6.588 -8.554 14.369 1.00 72.22 C ATOM 309 O LEU A 22 -7.277 -7.542 14.488 1.00 74.24 O ATOM 310 CB LEU A 22 -6.179 -9.199 16.751 1.00 44.03 C ATOM 311 CG LEU A 22 -6.022 -10.628 17.271 1.00 61.44 C ATOM 312 CD1 LEU A 22 -4.558 -10.942 17.536 1.00 63.51 C ATOM 313 CD2 LEU A 22 -6.850 -10.831 18.531 1.00 23.22 C ATOM 0 H LEU A 22 -4.909 -7.002 16.054 1.00 51.12 H new ATOM 0 HA LEU A 22 -4.984 -9.785 15.063 1.00 41.04 H new ATOM 0 HB2 LEU A 22 -5.767 -8.516 17.494 1.00 44.03 H new ATOM 0 HB3 LEU A 22 -7.243 -8.978 16.670 1.00 44.03 H new ATOM 0 HG LEU A 22 -6.386 -11.314 16.507 1.00 61.44 H new ATOM 0 HD11 LEU A 22 -4.466 -11.963 17.906 1.00 63.51 H new ATOM 0 HD12 LEU A 22 -3.990 -10.838 16.611 1.00 63.51 H new ATOM 0 HD13 LEU A 22 -4.167 -10.250 18.282 1.00 63.51 H new ATOM 0 HD21 LEU A 22 -6.726 -11.854 18.887 1.00 23.22 H new ATOM 0 HD22 LEU A 22 -6.517 -10.136 19.301 1.00 23.22 H new ATOM 0 HD23 LEU A 22 -7.901 -10.649 18.309 1.00 23.22 H new ATOM 325 N ASN A 23 -6.720 -9.404 13.356 1.00 60.52 N ATOM 326 CA ASN A 23 -7.705 -9.191 12.302 1.00 41.44 C ATOM 327 C ASN A 23 -8.806 -10.245 12.363 1.00 24.25 C ATOM 328 O ASN A 23 -8.555 -11.427 12.600 1.00 63.20 O ATOM 329 CB ASN A 23 -7.029 -9.223 10.929 1.00 0.34 C ATOM 330 CG ASN A 23 -7.382 -8.015 10.082 1.00 34.44 C ATOM 331 OD1 ASN A 23 -7.820 -6.987 10.599 1.00 31.33 O ATOM 332 ND2 ASN A 23 -7.194 -8.135 8.773 1.00 22.54 N ATOM 0 H ASN A 23 -6.157 -10.247 13.243 1.00 60.52 H new ATOM 0 HA ASN A 23 -8.157 -8.211 12.455 1.00 41.44 H new ATOM 0 HB2 ASN A 23 -5.948 -9.268 11.060 1.00 0.34 H new ATOM 0 HB3 ASN A 23 -7.324 -10.131 10.403 1.00 0.34 H new ATOM 0 HD21 ASN A 23 -7.415 -7.356 8.153 1.00 22.54 H new ATOM 0 HD22 ASN A 23 -6.829 -9.006 8.388 1.00 22.54 H new ATOM 339 N PRO A 24 -10.055 -9.810 12.145 1.00 13.45 N ATOM 340 CA PRO A 24 -11.220 -10.700 12.170 1.00 44.00 C ATOM 341 C PRO A 24 -11.242 -11.658 10.984 1.00 42.12 C ATOM 342 O PRO A 24 -11.985 -12.639 10.981 1.00 3.21 O ATOM 343 CB PRO A 24 -12.406 -9.735 12.100 1.00 3.12 C ATOM 344 CG PRO A 24 -11.866 -8.519 11.430 1.00 3.11 C ATOM 345 CD PRO A 24 -10.428 -8.414 11.858 1.00 61.33 C ATOM 0 HA PRO A 24 -11.226 -11.340 13.053 1.00 44.00 H new ATOM 0 HB2 PRO A 24 -13.233 -10.164 11.534 1.00 3.12 H new ATOM 0 HB3 PRO A 24 -12.787 -9.503 13.095 1.00 3.12 H new ATOM 0 HG2 PRO A 24 -11.945 -8.603 10.346 1.00 3.11 H new ATOM 0 HG3 PRO A 24 -12.426 -7.631 11.723 1.00 3.11 H new ATOM 0 HD2 PRO A 24 -9.805 -7.985 11.073 1.00 61.33 H new ATOM 0 HD3 PRO A 24 -10.316 -7.779 12.737 1.00 61.33 H new ATOM 353 N GLU A 25 -10.423 -11.367 9.978 1.00 4.41 N ATOM 354 CA GLU A 25 -10.350 -12.203 8.786 1.00 22.31 C ATOM 355 C GLU A 25 -9.044 -12.992 8.754 1.00 42.11 C ATOM 356 O GLU A 25 -8.844 -13.850 7.894 1.00 41.24 O ATOM 357 CB GLU A 25 -10.471 -11.345 7.525 1.00 13.03 C ATOM 358 CG GLU A 25 -9.460 -10.213 7.460 1.00 63.13 C ATOM 359 CD GLU A 25 -8.722 -10.166 6.136 1.00 64.41 C ATOM 360 OE1 GLU A 25 -9.331 -10.521 5.105 1.00 41.32 O ATOM 361 OE2 GLU A 25 -7.536 -9.776 6.131 1.00 65.13 O ATOM 0 H GLU A 25 -9.801 -10.559 9.965 1.00 4.41 H new ATOM 0 HA GLU A 25 -11.180 -12.908 8.817 1.00 22.31 H new ATOM 0 HB2 GLU A 25 -10.347 -11.982 6.649 1.00 13.03 H new ATOM 0 HB3 GLU A 25 -11.476 -10.926 7.476 1.00 13.03 H new ATOM 0 HG2 GLU A 25 -9.972 -9.264 7.620 1.00 63.13 H new ATOM 0 HG3 GLU A 25 -8.739 -10.327 8.270 1.00 63.13 H new ATOM 368 N LYS A 26 -8.157 -12.695 9.697 1.00 3.34 N ATOM 369 CA LYS A 26 -6.870 -13.375 9.780 1.00 45.34 C ATOM 370 C LYS A 26 -6.479 -13.627 11.232 1.00 12.14 C ATOM 371 O LYS A 26 -6.464 -14.768 11.692 1.00 1.11 O ATOM 372 CB LYS A 26 -5.786 -12.546 9.086 1.00 53.41 C ATOM 373 CG LYS A 26 -6.267 -11.851 7.823 1.00 21.34 C ATOM 374 CD LYS A 26 -5.133 -11.648 6.833 1.00 42.52 C ATOM 375 CE LYS A 26 -5.331 -12.485 5.579 1.00 62.31 C ATOM 376 NZ LYS A 26 -4.700 -13.828 5.704 1.00 61.51 N ATOM 0 H LYS A 26 -8.306 -11.987 10.416 1.00 3.34 H new ATOM 0 HA LYS A 26 -6.963 -14.337 9.275 1.00 45.34 H new ATOM 0 HB2 LYS A 26 -5.412 -11.796 9.783 1.00 53.41 H new ATOM 0 HB3 LYS A 26 -4.947 -13.196 8.836 1.00 53.41 H new ATOM 0 HG2 LYS A 26 -7.055 -12.443 7.358 1.00 21.34 H new ATOM 0 HG3 LYS A 26 -6.703 -10.886 8.081 1.00 21.34 H new ATOM 0 HD2 LYS A 26 -5.070 -10.594 6.562 1.00 42.52 H new ATOM 0 HD3 LYS A 26 -4.186 -11.914 7.303 1.00 42.52 H new ATOM 0 HE2 LYS A 26 -6.397 -12.601 5.384 1.00 62.31 H new ATOM 0 HE3 LYS A 26 -4.906 -11.962 4.722 1.00 62.31 H new ATOM 0 HZ1 LYS A 26 -4.857 -14.368 4.829 1.00 61.51 H new ATOM 0 HZ2 LYS A 26 -3.678 -13.718 5.864 1.00 61.51 H new ATOM 0 HZ3 LYS A 26 -5.123 -14.337 6.506 1.00 61.51 H new ATOM 390 N GLY A 27 -6.165 -12.553 11.951 1.00 32.33 N ATOM 391 CA GLY A 27 -5.781 -12.680 13.345 1.00 64.12 C ATOM 392 C GLY A 27 -4.376 -12.175 13.607 1.00 64.12 C ATOM 393 O GLY A 27 -4.074 -11.006 13.365 1.00 12.13 O ATOM 0 H GLY A 27 -6.170 -11.598 11.593 1.00 32.33 H new ATOM 0 HA2 GLY A 27 -6.485 -12.125 13.965 1.00 64.12 H new ATOM 0 HA3 GLY A 27 -5.850 -13.726 13.644 1.00 64.12 H new ATOM 397 N ILE A 28 -3.515 -13.057 14.104 1.00 43.05 N ATOM 398 CA ILE A 28 -2.134 -12.693 14.399 1.00 74.31 C ATOM 399 C ILE A 28 -1.394 -12.271 13.134 1.00 35.12 C ATOM 400 O ILE A 28 -0.850 -13.107 12.412 1.00 14.40 O ATOM 401 CB ILE A 28 -1.375 -13.858 15.060 1.00 25.41 C ATOM 402 CG1 ILE A 28 0.106 -13.506 15.218 1.00 61.02 C ATOM 403 CG2 ILE A 28 -1.538 -15.130 14.241 1.00 44.12 C ATOM 404 CD1 ILE A 28 0.929 -14.616 15.833 1.00 0.15 C ATOM 0 H ILE A 28 -3.749 -14.028 14.311 1.00 43.05 H new ATOM 0 HA ILE A 28 -2.170 -11.853 15.093 1.00 74.31 H new ATOM 0 HB ILE A 28 -1.796 -14.031 16.050 1.00 25.41 H new ATOM 0 HG12 ILE A 28 0.518 -13.258 14.240 1.00 61.02 H new ATOM 0 HG13 ILE A 28 0.195 -12.613 15.837 1.00 61.02 H new ATOM 0 HG21 ILE A 28 -0.996 -15.944 14.722 1.00 44.12 H new ATOM 0 HG22 ILE A 28 -2.595 -15.387 14.175 1.00 44.12 H new ATOM 0 HG23 ILE A 28 -1.140 -14.971 13.239 1.00 44.12 H new ATOM 0 HD11 ILE A 28 1.968 -14.296 15.914 1.00 0.15 H new ATOM 0 HD12 ILE A 28 0.542 -14.849 16.825 1.00 0.15 H new ATOM 0 HD13 ILE A 28 0.871 -15.504 15.203 1.00 0.15 H new ATOM 416 N VAL A 29 -1.377 -10.968 12.873 1.00 44.13 N ATOM 417 CA VAL A 29 -0.701 -10.433 11.697 1.00 63.34 C ATOM 418 C VAL A 29 0.206 -9.266 12.068 1.00 45.45 C ATOM 419 O VAL A 29 -0.218 -8.324 12.737 1.00 52.42 O ATOM 420 CB VAL A 29 -1.711 -9.966 10.632 1.00 33.13 C ATOM 421 CG1 VAL A 29 -0.987 -9.430 9.407 1.00 70.42 C ATOM 422 CG2 VAL A 29 -2.649 -11.103 10.253 1.00 1.44 C ATOM 0 H VAL A 29 -1.824 -10.263 13.460 1.00 44.13 H new ATOM 0 HA VAL A 29 -0.098 -11.241 11.284 1.00 63.34 H new ATOM 0 HB VAL A 29 -2.308 -9.157 11.053 1.00 33.13 H new ATOM 0 HG11 VAL A 29 -1.717 -9.105 8.666 1.00 70.42 H new ATOM 0 HG12 VAL A 29 -0.361 -8.585 9.695 1.00 70.42 H new ATOM 0 HG13 VAL A 29 -0.362 -10.215 8.981 1.00 70.42 H new ATOM 0 HG21 VAL A 29 -3.356 -10.756 9.500 1.00 1.44 H new ATOM 0 HG22 VAL A 29 -2.070 -11.934 9.851 1.00 1.44 H new ATOM 0 HG23 VAL A 29 -3.194 -11.435 11.137 1.00 1.44 H new ATOM 432 N VAL A 30 1.459 -9.333 11.628 1.00 61.53 N ATOM 433 CA VAL A 30 2.427 -8.281 11.912 1.00 42.12 C ATOM 434 C VAL A 30 2.940 -7.644 10.625 1.00 24.41 C ATOM 435 O VAL A 30 3.464 -8.330 9.746 1.00 12.45 O ATOM 436 CB VAL A 30 3.624 -8.821 12.717 1.00 72.40 C ATOM 437 CG1 VAL A 30 4.227 -10.036 12.027 1.00 10.43 C ATOM 438 CG2 VAL A 30 4.670 -7.734 12.911 1.00 53.10 C ATOM 0 H VAL A 30 1.827 -10.106 11.073 1.00 61.53 H new ATOM 0 HA VAL A 30 1.910 -7.528 12.506 1.00 42.12 H new ATOM 0 HB VAL A 30 3.269 -9.130 13.700 1.00 72.40 H new ATOM 0 HG11 VAL A 30 5.071 -10.404 12.610 1.00 10.43 H new ATOM 0 HG12 VAL A 30 3.474 -10.819 11.946 1.00 10.43 H new ATOM 0 HG13 VAL A 30 4.569 -9.756 11.030 1.00 10.43 H new ATOM 0 HG21 VAL A 30 5.508 -8.133 13.482 1.00 53.10 H new ATOM 0 HG22 VAL A 30 5.024 -7.392 11.938 1.00 53.10 H new ATOM 0 HG23 VAL A 30 4.229 -6.897 13.452 1.00 53.10 H new ATOM 448 N VAL A 31 2.787 -6.328 10.520 1.00 22.15 N ATOM 449 CA VAL A 31 3.237 -5.597 9.341 1.00 34.55 C ATOM 450 C VAL A 31 3.619 -4.165 9.695 1.00 14.44 C ATOM 451 O VAL A 31 3.244 -3.654 10.751 1.00 1.54 O ATOM 452 CB VAL A 31 2.151 -5.573 8.249 1.00 42.11 C ATOM 453 CG1 VAL A 31 1.973 -6.956 7.642 1.00 61.12 C ATOM 454 CG2 VAL A 31 0.837 -5.057 8.816 1.00 61.04 C ATOM 0 H VAL A 31 2.355 -5.746 11.237 1.00 22.15 H new ATOM 0 HA VAL A 31 4.114 -6.119 8.959 1.00 34.55 H new ATOM 0 HB VAL A 31 2.470 -4.894 7.458 1.00 42.11 H new ATOM 0 HG11 VAL A 31 1.202 -6.919 6.873 1.00 61.12 H new ATOM 0 HG12 VAL A 31 2.913 -7.282 7.198 1.00 61.12 H new ATOM 0 HG13 VAL A 31 1.676 -7.659 8.420 1.00 61.12 H new ATOM 0 HG21 VAL A 31 0.081 -5.047 8.031 1.00 61.04 H new ATOM 0 HG22 VAL A 31 0.510 -5.708 9.626 1.00 61.04 H new ATOM 0 HG23 VAL A 31 0.978 -4.046 9.198 1.00 61.04 H new ATOM 464 N HIS A 32 4.366 -3.520 8.805 1.00 23.21 N ATOM 465 CA HIS A 32 4.799 -2.144 9.023 1.00 73.23 C ATOM 466 C HIS A 32 4.039 -1.185 8.111 1.00 34.34 C ATOM 467 O HIS A 32 3.626 -1.553 7.012 1.00 24.32 O ATOM 468 CB HIS A 32 6.302 -2.015 8.778 1.00 63.12 C ATOM 469 CG HIS A 32 6.767 -2.703 7.531 1.00 4.04 C ATOM 470 ND1 HIS A 32 7.300 -3.975 7.528 1.00 74.03 N ATOM 471 CD2 HIS A 32 6.776 -2.289 6.243 1.00 62.34 C ATOM 472 CE1 HIS A 32 7.617 -4.313 6.291 1.00 63.42 C ATOM 473 NE2 HIS A 32 7.309 -3.308 5.492 1.00 42.04 N ATOM 0 H HIS A 32 4.684 -3.928 7.926 1.00 23.21 H new ATOM 0 HA HIS A 32 4.584 -1.881 10.059 1.00 73.23 H new ATOM 0 HB2 HIS A 32 6.563 -0.958 8.719 1.00 63.12 H new ATOM 0 HB3 HIS A 32 6.838 -2.428 9.633 1.00 63.12 H new ATOM 0 HD2 HIS A 32 6.429 -1.335 5.874 1.00 62.34 H new ATOM 0 HE1 HIS A 32 8.054 -5.252 5.985 1.00 63.42 H new ATOM 0 HE2 HIS A 32 7.445 -3.291 4.481 1.00 42.04 H new ATOM 481 N GLY A 33 3.856 0.047 8.577 1.00 62.12 N ATOM 482 CA GLY A 33 3.145 1.039 7.792 1.00 63.24 C ATOM 483 C GLY A 33 2.102 1.781 8.603 1.00 52.14 C ATOM 484 O GLY A 33 1.162 1.178 9.119 1.00 24.13 O ATOM 0 H GLY A 33 4.187 0.375 9.484 1.00 62.12 H new ATOM 0 HA2 GLY A 33 3.859 1.754 7.383 1.00 63.24 H new ATOM 0 HA3 GLY A 33 2.663 0.550 6.945 1.00 63.24 H new ATOM 488 N GLY A 34 2.267 3.096 8.716 1.00 24.41 N ATOM 489 CA GLY A 34 1.325 3.899 9.473 1.00 5.30 C ATOM 490 C GLY A 34 -0.114 3.624 9.085 1.00 1.52 C ATOM 491 O GLY A 34 -1.017 3.715 9.917 1.00 12.52 O ATOM 0 H GLY A 34 3.036 3.619 8.297 1.00 24.41 H new ATOM 0 HA2 GLY A 34 1.456 3.700 10.537 1.00 5.30 H new ATOM 0 HA3 GLY A 34 1.545 4.955 9.317 1.00 5.30 H new ATOM 495 N CYS A 35 -0.330 3.289 7.818 1.00 63.32 N ATOM 496 CA CYS A 35 -1.669 3.002 7.320 1.00 75.23 C ATOM 497 C CYS A 35 -2.206 1.705 7.919 1.00 54.04 C ATOM 498 O CYS A 35 -3.367 1.628 8.319 1.00 14.33 O ATOM 499 CB CYS A 35 -1.659 2.905 5.793 1.00 42.22 C ATOM 500 SG CYS A 35 -1.790 4.512 4.945 1.00 14.32 S ATOM 0 H CYS A 35 0.406 3.210 7.117 1.00 63.32 H new ATOM 0 HA CYS A 35 -2.324 3.820 7.621 1.00 75.23 H new ATOM 0 HB2 CYS A 35 -0.739 2.413 5.477 1.00 42.22 H new ATOM 0 HB3 CYS A 35 -2.486 2.270 5.475 1.00 42.22 H new ATOM 505 N ALA A 36 -1.352 0.688 7.976 1.00 14.31 N ATOM 506 CA ALA A 36 -1.739 -0.604 8.528 1.00 75.12 C ATOM 507 C ALA A 36 -2.036 -0.498 10.020 1.00 51.42 C ATOM 508 O ALA A 36 -2.878 -1.224 10.549 1.00 30.23 O ATOM 509 CB ALA A 36 -0.647 -1.633 8.277 1.00 34.50 C ATOM 0 H ALA A 36 -0.388 0.734 7.647 1.00 14.31 H new ATOM 0 HA ALA A 36 -2.651 -0.927 8.026 1.00 75.12 H new ATOM 0 HB1 ALA A 36 -0.949 -2.593 8.695 1.00 34.50 H new ATOM 0 HB2 ALA A 36 -0.486 -1.738 7.204 1.00 34.50 H new ATOM 0 HB3 ALA A 36 0.278 -1.306 8.752 1.00 34.50 H new ATOM 515 N LEU A 37 -1.340 0.411 10.693 1.00 4.31 N ATOM 516 CA LEU A 37 -1.528 0.613 12.126 1.00 70.43 C ATOM 517 C LEU A 37 -2.808 1.396 12.402 1.00 64.51 C ATOM 518 O LEU A 37 -3.600 1.024 13.267 1.00 33.41 O ATOM 519 CB LEU A 37 -0.327 1.351 12.719 1.00 22.33 C ATOM 520 CG LEU A 37 -0.346 1.554 14.235 1.00 63.33 C ATOM 521 CD1 LEU A 37 0.799 0.796 14.889 1.00 1.11 C ATOM 522 CD2 LEU A 37 -0.271 3.035 14.575 1.00 31.03 C ATOM 0 H LEU A 37 -0.640 1.020 10.270 1.00 4.31 H new ATOM 0 HA LEU A 37 -1.614 -0.366 12.598 1.00 70.43 H new ATOM 0 HB2 LEU A 37 0.577 0.801 12.457 1.00 22.33 H new ATOM 0 HB3 LEU A 37 -0.255 2.329 12.242 1.00 22.33 H new ATOM 0 HG LEU A 37 -1.285 1.159 14.624 1.00 63.33 H new ATOM 0 HD11 LEU A 37 0.770 0.952 15.967 1.00 1.11 H new ATOM 0 HD12 LEU A 37 0.701 -0.268 14.673 1.00 1.11 H new ATOM 0 HD13 LEU A 37 1.748 1.160 14.495 1.00 1.11 H new ATOM 0 HD21 LEU A 37 -0.286 3.161 15.658 1.00 31.03 H new ATOM 0 HD22 LEU A 37 0.651 3.454 14.173 1.00 31.03 H new ATOM 0 HD23 LEU A 37 -1.125 3.552 14.138 1.00 31.03 H new ATOM 534 N SER A 38 -3.003 2.480 11.659 1.00 14.53 N ATOM 535 CA SER A 38 -4.186 3.317 11.825 1.00 12.02 C ATOM 536 C SER A 38 -5.458 2.519 11.557 1.00 73.34 C ATOM 537 O SER A 38 -6.413 2.570 12.332 1.00 54.22 O ATOM 538 CB SER A 38 -4.120 4.523 10.886 1.00 4.02 C ATOM 539 OG SER A 38 -4.117 5.738 11.616 1.00 72.13 O ATOM 0 H SER A 38 -2.358 2.800 10.936 1.00 14.53 H new ATOM 0 HA SER A 38 -4.209 3.669 12.856 1.00 12.02 H new ATOM 0 HB2 SER A 38 -3.221 4.461 10.272 1.00 4.02 H new ATOM 0 HB3 SER A 38 -4.972 4.506 10.206 1.00 4.02 H new ATOM 0 HG SER A 38 -4.073 6.494 10.993 1.00 72.13 H new ATOM 545 N LYS A 39 -5.463 1.780 10.452 1.00 15.11 N ATOM 546 CA LYS A 39 -6.616 0.969 10.079 1.00 31.31 C ATOM 547 C LYS A 39 -6.920 -0.071 11.153 1.00 63.32 C ATOM 548 O LYS A 39 -8.054 -0.183 11.619 1.00 24.14 O ATOM 549 CB LYS A 39 -6.365 0.275 8.738 1.00 22.35 C ATOM 550 CG LYS A 39 -6.920 1.035 7.547 1.00 73.14 C ATOM 551 CD LYS A 39 -6.378 2.453 7.488 1.00 50.04 C ATOM 552 CE LYS A 39 -7.385 3.458 8.027 1.00 25.44 C ATOM 553 NZ LYS A 39 -7.077 4.845 7.583 1.00 64.05 N ATOM 0 H LYS A 39 -4.681 1.726 9.799 1.00 15.11 H new ATOM 0 HA LYS A 39 -7.478 1.629 9.984 1.00 31.31 H new ATOM 0 HB2 LYS A 39 -5.292 0.140 8.604 1.00 22.35 H new ATOM 0 HB3 LYS A 39 -6.811 -0.719 8.764 1.00 22.35 H new ATOM 0 HG2 LYS A 39 -6.665 0.509 6.627 1.00 73.14 H new ATOM 0 HG3 LYS A 39 -8.008 1.063 7.607 1.00 73.14 H new ATOM 0 HD2 LYS A 39 -5.456 2.515 8.065 1.00 50.04 H new ATOM 0 HD3 LYS A 39 -6.127 2.705 6.458 1.00 50.04 H new ATOM 0 HE2 LYS A 39 -8.386 3.184 7.693 1.00 25.44 H new ATOM 0 HE3 LYS A 39 -7.390 3.418 9.116 1.00 25.44 H new ATOM 0 HZ1 LYS A 39 -7.963 5.375 7.458 1.00 64.05 H new ATOM 0 HZ2 LYS A 39 -6.490 5.317 8.300 1.00 64.05 H new ATOM 0 HZ3 LYS A 39 -6.562 4.814 6.680 1.00 64.05 H new ATOM 567 N TYR A 40 -5.900 -0.829 11.541 1.00 10.22 N ATOM 568 CA TYR A 40 -6.059 -1.860 12.560 1.00 65.25 C ATOM 569 C TYR A 40 -6.634 -1.273 13.845 1.00 73.24 C ATOM 570 O TYR A 40 -7.299 -1.966 14.615 1.00 75.12 O ATOM 571 CB TYR A 40 -4.715 -2.531 12.849 1.00 23.04 C ATOM 572 CG TYR A 40 -4.574 -3.900 12.223 1.00 45.23 C ATOM 573 CD1 TYR A 40 -5.501 -4.902 12.480 1.00 22.11 C ATOM 574 CD2 TYR A 40 -3.513 -4.191 11.374 1.00 23.12 C ATOM 575 CE1 TYR A 40 -5.376 -6.154 11.910 1.00 24.44 C ATOM 576 CE2 TYR A 40 -3.380 -5.440 10.799 1.00 74.01 C ATOM 577 CZ TYR A 40 -4.314 -6.418 11.070 1.00 31.32 C ATOM 578 OH TYR A 40 -4.185 -7.664 10.500 1.00 20.13 O ATOM 0 H TYR A 40 -4.955 -0.749 11.166 1.00 10.22 H new ATOM 0 HA TYR A 40 -6.757 -2.606 12.180 1.00 65.25 H new ATOM 0 HB2 TYR A 40 -3.913 -1.890 12.484 1.00 23.04 H new ATOM 0 HB3 TYR A 40 -4.587 -2.619 13.928 1.00 23.04 H new ATOM 0 HD1 TYR A 40 -6.334 -4.699 13.137 1.00 22.11 H new ATOM 0 HD2 TYR A 40 -2.780 -3.427 11.160 1.00 23.12 H new ATOM 0 HE1 TYR A 40 -6.106 -6.922 12.121 1.00 24.44 H new ATOM 0 HE2 TYR A 40 -2.550 -5.649 10.141 1.00 74.01 H new ATOM 0 HH TYR A 40 -3.541 -7.621 9.763 1.00 20.13 H new ATOM 588 N LYS A 41 -6.374 0.010 14.069 1.00 11.24 N ATOM 589 CA LYS A 41 -6.867 0.694 15.259 1.00 4.31 C ATOM 590 C LYS A 41 -8.310 1.149 15.067 1.00 43.31 C ATOM 591 O LYS A 41 -9.053 1.317 16.034 1.00 4.35 O ATOM 592 CB LYS A 41 -5.980 1.899 15.584 1.00 61.32 C ATOM 593 CG LYS A 41 -5.327 1.822 16.953 1.00 20.30 C ATOM 594 CD LYS A 41 -4.261 2.891 17.124 1.00 53.35 C ATOM 595 CE LYS A 41 -3.816 3.009 18.573 1.00 33.32 C ATOM 596 NZ LYS A 41 -4.542 4.094 19.290 1.00 63.11 N ATOM 0 H LYS A 41 -5.825 0.598 13.442 1.00 11.24 H new ATOM 0 HA LYS A 41 -6.834 -0.009 16.091 1.00 4.31 H new ATOM 0 HB2 LYS A 41 -5.203 1.983 14.824 1.00 61.32 H new ATOM 0 HB3 LYS A 41 -6.580 2.807 15.528 1.00 61.32 H new ATOM 0 HG2 LYS A 41 -6.087 1.938 17.726 1.00 20.30 H new ATOM 0 HG3 LYS A 41 -4.881 0.837 17.089 1.00 20.30 H new ATOM 0 HD2 LYS A 41 -3.402 2.653 16.497 1.00 53.35 H new ATOM 0 HD3 LYS A 41 -4.649 3.851 16.782 1.00 53.35 H new ATOM 0 HE2 LYS A 41 -3.985 2.061 19.083 1.00 33.32 H new ATOM 0 HE3 LYS A 41 -2.744 3.204 18.609 1.00 33.32 H new ATOM 0 HZ1 LYS A 41 -4.210 4.142 20.274 1.00 63.11 H new ATOM 0 HZ2 LYS A 41 -4.361 5.003 18.819 1.00 63.11 H new ATOM 0 HZ3 LYS A 41 -5.563 3.895 19.278 1.00 63.11 H new ATOM 610 N CYS A 42 -8.701 1.346 13.812 1.00 32.14 N ATOM 611 CA CYS A 42 -10.056 1.780 13.493 1.00 44.34 C ATOM 612 C CYS A 42 -11.024 0.601 13.510 1.00 24.34 C ATOM 613 O CYS A 42 -12.114 0.689 14.074 1.00 0.11 O ATOM 614 CB CYS A 42 -10.086 2.458 12.121 1.00 1.24 C ATOM 615 SG CYS A 42 -11.440 1.893 11.042 1.00 13.01 S ATOM 0 H CYS A 42 -8.099 1.212 13.000 1.00 32.14 H new ATOM 0 HA CYS A 42 -10.370 2.496 14.253 1.00 44.34 H new ATOM 0 HB2 CYS A 42 -10.173 3.535 12.262 1.00 1.24 H new ATOM 0 HB3 CYS A 42 -9.136 2.278 11.618 1.00 1.24 H new ATOM 620 N GLN A 43 -10.616 -0.502 12.890 1.00 41.42 N ATOM 621 CA GLN A 43 -11.447 -1.698 12.834 1.00 32.22 C ATOM 622 C GLN A 43 -11.774 -2.200 14.237 1.00 42.20 C ATOM 623 O GLN A 43 -12.917 -2.546 14.532 1.00 2.43 O ATOM 624 CB GLN A 43 -10.743 -2.798 12.038 1.00 44.22 C ATOM 625 CG GLN A 43 -9.276 -2.967 12.400 1.00 0.22 C ATOM 626 CD GLN A 43 -8.970 -4.338 12.970 1.00 0.24 C ATOM 627 OE1 GLN A 43 -8.416 -4.459 14.063 1.00 4.33 O ATOM 628 NE2 GLN A 43 -9.331 -5.381 12.232 1.00 43.54 N ATOM 0 H GLN A 43 -9.715 -0.592 12.420 1.00 41.42 H new ATOM 0 HA GLN A 43 -12.380 -1.438 12.334 1.00 32.22 H new ATOM 0 HB2 GLN A 43 -11.261 -3.743 12.204 1.00 44.22 H new ATOM 0 HB3 GLN A 43 -10.823 -2.573 10.974 1.00 44.22 H new ATOM 0 HG2 GLN A 43 -8.665 -2.802 11.512 1.00 0.22 H new ATOM 0 HG3 GLN A 43 -8.995 -2.205 13.126 1.00 0.22 H new ATOM 0 HE21 GLN A 43 -9.788 -5.235 11.332 1.00 43.54 H new ATOM 0 HE22 GLN A 43 -9.152 -6.328 12.565 1.00 43.54 H new ATOM 637 N ASN A 44 -10.762 -2.237 15.097 1.00 5.14 N ATOM 638 CA ASN A 44 -10.941 -2.697 16.470 1.00 72.35 C ATOM 639 C ASN A 44 -10.077 -1.889 17.432 1.00 1.23 C ATOM 640 O ASN A 44 -9.002 -2.319 17.852 1.00 52.13 O ATOM 641 CB ASN A 44 -10.594 -4.183 16.580 1.00 34.44 C ATOM 642 CG ASN A 44 -11.508 -5.055 15.740 1.00 12.42 C ATOM 643 OD1 ASN A 44 -12.726 -4.873 15.736 1.00 42.13 O ATOM 644 ND2 ASN A 44 -10.923 -6.007 15.024 1.00 62.32 N ATOM 0 H ASN A 44 -9.809 -1.954 14.868 1.00 5.14 H new ATOM 0 HA ASN A 44 -11.987 -2.553 16.742 1.00 72.35 H new ATOM 0 HB2 ASN A 44 -9.561 -4.336 16.266 1.00 34.44 H new ATOM 0 HB3 ASN A 44 -10.659 -4.492 17.623 1.00 34.44 H new ATOM 0 HD21 ASN A 44 -11.486 -6.625 14.439 1.00 62.32 H new ATOM 0 HD22 ASN A 44 -9.910 -6.121 15.058 1.00 62.32 H new ATOM 651 N PRO A 45 -10.556 -0.689 17.792 1.00 0.22 N ATOM 652 CA PRO A 45 -9.844 0.205 18.710 1.00 22.14 C ATOM 653 C PRO A 45 -9.827 -0.326 20.140 1.00 62.13 C ATOM 654 O PRO A 45 -9.173 0.240 21.014 1.00 25.12 O ATOM 655 CB PRO A 45 -10.647 1.506 18.633 1.00 65.01 C ATOM 656 CG PRO A 45 -12.015 1.083 18.225 1.00 74.23 C ATOM 657 CD PRO A 45 -11.830 -0.112 17.331 1.00 31.31 C ATOM 0 HA PRO A 45 -8.795 0.318 18.436 1.00 22.14 H new ATOM 0 HB2 PRO A 45 -10.662 2.020 19.594 1.00 65.01 H new ATOM 0 HB3 PRO A 45 -10.214 2.196 17.909 1.00 65.01 H new ATOM 0 HG2 PRO A 45 -12.621 0.829 19.095 1.00 74.23 H new ATOM 0 HG3 PRO A 45 -12.532 1.887 17.700 1.00 74.23 H new ATOM 0 HD2 PRO A 45 -12.652 -0.821 17.432 1.00 31.31 H new ATOM 0 HD3 PRO A 45 -11.784 0.175 16.281 1.00 31.31 H new ATOM 665 N ASN A 46 -10.550 -1.417 20.369 1.00 33.14 N ATOM 666 CA ASN A 46 -10.618 -2.025 21.694 1.00 40.45 C ATOM 667 C ASN A 46 -9.692 -3.234 21.785 1.00 15.02 C ATOM 668 O ASN A 46 -9.832 -4.070 22.678 1.00 33.23 O ATOM 669 CB ASN A 46 -12.055 -2.442 22.013 1.00 62.51 C ATOM 670 CG ASN A 46 -12.473 -3.693 21.264 1.00 54.35 C ATOM 671 OD1 ASN A 46 -12.186 -4.811 21.690 1.00 21.12 O ATOM 672 ND2 ASN A 46 -13.156 -3.508 20.140 1.00 52.13 N ATOM 0 H ASN A 46 -11.097 -1.898 19.655 1.00 33.14 H new ATOM 0 HA ASN A 46 -10.292 -1.285 22.424 1.00 40.45 H new ATOM 0 HB2 ASN A 46 -12.151 -2.614 23.085 1.00 62.51 H new ATOM 0 HB3 ASN A 46 -12.732 -1.626 21.759 1.00 62.51 H new ATOM 0 HD21 ASN A 46 -13.465 -4.311 19.593 1.00 52.13 H new ATOM 0 HD22 ASN A 46 -13.372 -2.562 19.824 1.00 52.13 H new ATOM 679 N HIS A 47 -8.746 -3.320 20.856 1.00 51.14 N ATOM 680 CA HIS A 47 -7.796 -4.426 20.832 1.00 70.41 C ATOM 681 C HIS A 47 -6.457 -4.005 21.429 1.00 65.23 C ATOM 682 O HIS A 47 -6.203 -2.818 21.631 1.00 60.21 O ATOM 683 CB HIS A 47 -7.596 -4.924 19.400 1.00 2.20 C ATOM 684 CG HIS A 47 -6.560 -4.155 18.638 1.00 33.23 C ATOM 685 ND1 HIS A 47 -6.420 -2.787 18.731 1.00 44.43 N ATOM 686 CD2 HIS A 47 -5.611 -4.572 17.768 1.00 2.42 C ATOM 687 CE1 HIS A 47 -5.430 -2.394 17.949 1.00 25.21 C ATOM 688 NE2 HIS A 47 -4.922 -3.458 17.354 1.00 24.41 N ATOM 0 H HIS A 47 -8.617 -2.637 20.110 1.00 51.14 H new ATOM 0 HA HIS A 47 -8.204 -5.236 21.436 1.00 70.41 H new ATOM 0 HB2 HIS A 47 -7.310 -5.975 19.426 1.00 2.20 H new ATOM 0 HB3 HIS A 47 -8.545 -4.865 18.868 1.00 2.20 H new ATOM 0 HD1 HIS A 47 -6.991 -2.174 19.313 1.00 44.43 H new ATOM 0 HD2 HIS A 47 -5.429 -5.590 17.457 1.00 2.42 H new ATOM 0 HE1 HIS A 47 -5.094 -1.376 17.819 1.00 25.21 H new ATOM 696 N GLU A 48 -5.604 -4.986 21.709 1.00 71.23 N ATOM 697 CA GLU A 48 -4.292 -4.716 22.284 1.00 43.12 C ATOM 698 C GLU A 48 -3.187 -4.973 21.263 1.00 1.11 C ATOM 699 O GLU A 48 -2.801 -6.117 21.023 1.00 72.20 O ATOM 700 CB GLU A 48 -4.066 -5.582 23.525 1.00 40.11 C ATOM 701 CG GLU A 48 -4.830 -5.103 24.748 1.00 23.32 C ATOM 702 CD GLU A 48 -3.943 -4.958 25.970 1.00 41.45 C ATOM 703 OE1 GLU A 48 -3.505 -5.994 26.511 1.00 64.43 O ATOM 704 OE2 GLU A 48 -3.687 -3.808 26.384 1.00 14.12 O ATOM 0 H GLU A 48 -5.798 -5.974 21.547 1.00 71.23 H new ATOM 0 HA GLU A 48 -4.260 -3.665 22.572 1.00 43.12 H new ATOM 0 HB2 GLU A 48 -4.361 -6.607 23.301 1.00 40.11 H new ATOM 0 HB3 GLU A 48 -3.001 -5.600 23.756 1.00 40.11 H new ATOM 0 HG2 GLU A 48 -5.297 -4.143 24.527 1.00 23.32 H new ATOM 0 HG3 GLU A 48 -5.634 -5.806 24.968 1.00 23.32 H new ATOM 711 N LYS A 49 -2.682 -3.900 20.664 1.00 4.21 N ATOM 712 CA LYS A 49 -1.621 -4.006 19.669 1.00 21.44 C ATOM 713 C LYS A 49 -0.364 -4.619 20.278 1.00 4.03 C ATOM 714 O LYS A 49 0.354 -3.964 21.036 1.00 62.34 O ATOM 715 CB LYS A 49 -1.299 -2.628 19.087 1.00 30.23 C ATOM 716 CG LYS A 49 -0.091 -2.624 18.166 1.00 15.00 C ATOM 717 CD LYS A 49 0.293 -1.212 17.757 1.00 10.10 C ATOM 718 CE LYS A 49 0.848 -0.423 18.933 1.00 51.31 C ATOM 719 NZ LYS A 49 0.122 0.862 19.131 1.00 54.23 N ATOM 0 H LYS A 49 -2.991 -2.946 20.850 1.00 4.21 H new ATOM 0 HA LYS A 49 -1.971 -4.658 18.869 1.00 21.44 H new ATOM 0 HB2 LYS A 49 -2.166 -2.264 18.536 1.00 30.23 H new ATOM 0 HB3 LYS A 49 -1.124 -1.929 19.905 1.00 30.23 H new ATOM 0 HG2 LYS A 49 0.751 -3.101 18.667 1.00 15.00 H new ATOM 0 HG3 LYS A 49 -0.308 -3.215 17.276 1.00 15.00 H new ATOM 0 HD2 LYS A 49 1.037 -1.252 16.961 1.00 10.10 H new ATOM 0 HD3 LYS A 49 -0.580 -0.699 17.353 1.00 10.10 H new ATOM 0 HE2 LYS A 49 0.776 -1.024 19.840 1.00 51.31 H new ATOM 0 HE3 LYS A 49 1.906 -0.220 18.767 1.00 51.31 H new ATOM 0 HZ1 LYS A 49 0.530 1.370 19.942 1.00 54.23 H new ATOM 0 HZ2 LYS A 49 0.211 1.447 18.275 1.00 54.23 H new ATOM 0 HZ3 LYS A 49 -0.883 0.668 19.314 1.00 54.23 H new ATOM 733 N LEU A 50 -0.102 -5.877 19.942 1.00 23.22 N ATOM 734 CA LEU A 50 1.071 -6.578 20.455 1.00 53.11 C ATOM 735 C LEU A 50 2.313 -6.227 19.642 1.00 21.15 C ATOM 736 O LEU A 50 2.254 -6.105 18.420 1.00 53.12 O ATOM 737 CB LEU A 50 0.839 -8.090 20.426 1.00 13.43 C ATOM 738 CG LEU A 50 -0.516 -8.571 20.946 1.00 15.42 C ATOM 739 CD1 LEU A 50 -1.226 -9.407 19.893 1.00 52.23 C ATOM 740 CD2 LEU A 50 -0.343 -9.365 22.232 1.00 22.23 C ATOM 0 H LEU A 50 -0.685 -6.433 19.317 1.00 23.22 H new ATOM 0 HA LEU A 50 1.232 -6.261 21.485 1.00 53.11 H new ATOM 0 HB2 LEU A 50 0.955 -8.436 19.399 1.00 13.43 H new ATOM 0 HB3 LEU A 50 1.622 -8.569 21.014 1.00 13.43 H new ATOM 0 HG LEU A 50 -1.131 -7.697 21.162 1.00 15.42 H new ATOM 0 HD11 LEU A 50 -2.188 -9.740 20.281 1.00 52.23 H new ATOM 0 HD12 LEU A 50 -1.384 -8.806 18.997 1.00 52.23 H new ATOM 0 HD13 LEU A 50 -0.615 -10.275 19.644 1.00 52.23 H new ATOM 0 HD21 LEU A 50 -1.318 -9.699 22.587 1.00 22.23 H new ATOM 0 HD22 LEU A 50 0.291 -10.231 22.042 1.00 22.23 H new ATOM 0 HD23 LEU A 50 0.122 -8.734 22.989 1.00 22.23 H new ATOM 752 N GLY A 51 3.439 -6.068 20.331 1.00 23.44 N ATOM 753 CA GLY A 51 4.681 -5.735 19.657 1.00 34.53 C ATOM 754 C GLY A 51 5.857 -6.537 20.180 1.00 53.55 C ATOM 755 O GLY A 51 7.000 -6.303 19.786 1.00 13.40 O ATOM 0 H GLY A 51 3.513 -6.164 21.344 1.00 23.44 H new ATOM 0 HA2 GLY A 51 4.570 -5.914 18.588 1.00 34.53 H new ATOM 0 HA3 GLY A 51 4.885 -4.672 19.783 1.00 34.53 H new ATOM 759 N TYR A 52 5.578 -7.483 21.069 1.00 14.30 N ATOM 760 CA TYR A 52 6.622 -8.318 21.649 1.00 22.33 C ATOM 761 C TYR A 52 6.028 -9.344 22.610 1.00 5.22 C ATOM 762 O TYR A 52 6.643 -9.698 23.617 1.00 34.22 O ATOM 763 CB TYR A 52 7.650 -7.453 22.380 1.00 14.45 C ATOM 764 CG TYR A 52 9.074 -7.931 22.212 1.00 30.12 C ATOM 765 CD1 TYR A 52 9.589 -8.938 23.018 1.00 24.35 C ATOM 766 CD2 TYR A 52 9.904 -7.376 21.246 1.00 62.21 C ATOM 767 CE1 TYR A 52 10.890 -9.378 22.869 1.00 44.24 C ATOM 768 CE2 TYR A 52 11.206 -7.811 21.088 1.00 41.50 C ATOM 769 CZ TYR A 52 11.695 -8.811 21.902 1.00 73.10 C ATOM 770 OH TYR A 52 12.991 -9.247 21.749 1.00 72.24 O ATOM 0 H TYR A 52 4.637 -7.691 21.404 1.00 14.30 H new ATOM 0 HA TYR A 52 7.118 -8.851 20.838 1.00 22.33 H new ATOM 0 HB2 TYR A 52 7.574 -6.428 22.016 1.00 14.45 H new ATOM 0 HB3 TYR A 52 7.406 -7.433 23.442 1.00 14.45 H new ATOM 0 HD1 TYR A 52 8.961 -9.385 23.775 1.00 24.35 H new ATOM 0 HD2 TYR A 52 9.525 -6.591 20.608 1.00 62.21 H new ATOM 0 HE1 TYR A 52 11.275 -10.161 23.505 1.00 44.24 H new ATOM 0 HE2 TYR A 52 11.837 -7.370 20.331 1.00 41.50 H new ATOM 0 HH TYR A 52 13.421 -8.746 21.025 1.00 72.24 H new ATOM 780 N THR A 53 4.828 -9.818 22.292 1.00 62.45 N ATOM 781 CA THR A 53 4.149 -10.803 23.125 1.00 45.40 C ATOM 782 C THR A 53 4.445 -12.221 22.651 1.00 35.24 C ATOM 783 O THR A 53 4.720 -12.448 21.473 1.00 73.52 O ATOM 784 CB THR A 53 2.625 -10.581 23.128 1.00 61.14 C ATOM 785 OG1 THR A 53 2.332 -9.197 23.349 1.00 34.24 O ATOM 786 CG2 THR A 53 1.957 -11.425 24.203 1.00 45.01 C ATOM 0 H THR A 53 4.306 -9.536 21.463 1.00 62.45 H new ATOM 0 HA THR A 53 4.529 -10.676 24.139 1.00 45.40 H new ATOM 0 HB THR A 53 2.234 -10.884 22.157 1.00 61.14 H new ATOM 0 HG1 THR A 53 1.935 -9.084 24.238 1.00 34.24 H new ATOM 0 HG21 THR A 53 0.881 -11.251 24.186 1.00 45.01 H new ATOM 0 HG22 THR A 53 2.157 -12.480 24.014 1.00 45.01 H new ATOM 0 HG23 THR A 53 2.353 -11.150 25.180 1.00 45.01 H new ATOM 794 N HIS A 54 4.385 -13.174 23.577 1.00 40.50 N ATOM 795 CA HIS A 54 4.645 -14.572 23.253 1.00 51.30 C ATOM 796 C HIS A 54 3.706 -15.058 22.153 1.00 62.01 C ATOM 797 O HIS A 54 4.006 -16.022 21.450 1.00 25.42 O ATOM 798 CB HIS A 54 4.485 -15.444 24.498 1.00 32.05 C ATOM 799 CG HIS A 54 5.769 -15.681 25.233 1.00 74.13 C ATOM 800 ND1 HIS A 54 6.558 -14.660 25.718 1.00 51.23 N ATOM 801 CD2 HIS A 54 6.399 -16.832 25.565 1.00 13.03 C ATOM 802 CE1 HIS A 54 7.619 -15.172 26.315 1.00 32.03 C ATOM 803 NE2 HIS A 54 7.546 -16.489 26.237 1.00 10.52 N ATOM 0 H HIS A 54 4.159 -13.003 24.557 1.00 40.50 H new ATOM 0 HA HIS A 54 5.671 -14.651 22.893 1.00 51.30 H new ATOM 0 HB2 HIS A 54 3.771 -14.972 25.173 1.00 32.05 H new ATOM 0 HB3 HIS A 54 4.060 -16.405 24.207 1.00 32.05 H new ATOM 0 HD2 HIS A 54 6.062 -17.834 25.343 1.00 13.03 H new ATOM 0 HE1 HIS A 54 8.411 -14.610 26.787 1.00 32.03 H new ATOM 0 HE2 HIS A 54 8.230 -17.144 26.615 1.00 10.52 H new ATOM 811 N GLU A 55 2.569 -14.384 22.011 1.00 42.02 N ATOM 812 CA GLU A 55 1.587 -14.750 20.997 1.00 12.52 C ATOM 813 C GLU A 55 1.993 -14.214 19.627 1.00 3.23 C ATOM 814 O GLU A 55 1.664 -14.800 18.596 1.00 71.31 O ATOM 815 CB GLU A 55 0.205 -14.213 21.377 1.00 21.02 C ATOM 816 CG GLU A 55 0.057 -12.714 21.175 1.00 63.41 C ATOM 817 CD GLU A 55 -1.332 -12.213 21.520 1.00 25.23 C ATOM 818 OE1 GLU A 55 -1.594 -11.974 22.718 1.00 53.24 O ATOM 819 OE2 GLU A 55 -2.155 -12.061 20.594 1.00 12.24 O ATOM 0 H GLU A 55 2.305 -13.583 22.584 1.00 42.02 H new ATOM 0 HA GLU A 55 1.545 -15.838 20.945 1.00 12.52 H new ATOM 0 HB2 GLU A 55 -0.551 -14.727 20.784 1.00 21.02 H new ATOM 0 HB3 GLU A 55 0.007 -14.452 22.422 1.00 21.02 H new ATOM 0 HG2 GLU A 55 0.790 -12.194 21.792 1.00 63.41 H new ATOM 0 HG3 GLU A 55 0.281 -12.467 20.137 1.00 63.41 H new ATOM 826 N CYS A 56 2.711 -13.095 19.625 1.00 32.42 N ATOM 827 CA CYS A 56 3.162 -12.478 18.384 1.00 63.31 C ATOM 828 C CYS A 56 4.679 -12.579 18.247 1.00 52.14 C ATOM 829 O CYS A 56 5.330 -11.654 17.762 1.00 22.31 O ATOM 830 CB CYS A 56 2.731 -11.011 18.333 1.00 72.33 C ATOM 831 SG CYS A 56 1.027 -10.758 17.740 1.00 40.22 S ATOM 0 H CYS A 56 2.993 -12.597 20.470 1.00 32.42 H new ATOM 0 HA CYS A 56 2.703 -13.013 17.553 1.00 63.31 H new ATOM 0 HB2 CYS A 56 2.825 -10.581 19.330 1.00 72.33 H new ATOM 0 HB3 CYS A 56 3.415 -10.465 17.684 1.00 72.33 H new ATOM 836 N GLU A 57 5.233 -13.708 18.677 1.00 72.23 N ATOM 837 CA GLU A 57 6.672 -13.929 18.602 1.00 2.11 C ATOM 838 C GLU A 57 7.193 -13.653 17.194 1.00 13.24 C ATOM 839 O GLU A 57 8.247 -13.042 17.021 1.00 71.44 O ATOM 840 CB GLU A 57 7.013 -15.363 19.011 1.00 34.53 C ATOM 841 CG GLU A 57 8.425 -15.525 19.547 1.00 1.44 C ATOM 842 CD GLU A 57 8.800 -16.976 19.776 1.00 45.04 C ATOM 843 OE1 GLU A 57 8.150 -17.859 19.178 1.00 45.43 O ATOM 844 OE2 GLU A 57 9.745 -17.229 20.552 1.00 2.45 O ATOM 0 H GLU A 57 4.707 -14.483 19.081 1.00 72.23 H new ATOM 0 HA GLU A 57 7.155 -13.237 19.292 1.00 2.11 H new ATOM 0 HB2 GLU A 57 6.305 -15.693 19.771 1.00 34.53 H new ATOM 0 HB3 GLU A 57 6.883 -16.018 18.149 1.00 34.53 H new ATOM 0 HG2 GLU A 57 9.129 -15.078 18.845 1.00 1.44 H new ATOM 0 HG3 GLU A 57 8.519 -14.977 20.485 1.00 1.44 H new ATOM 851 N GLU A 58 6.445 -14.108 16.194 1.00 43.14 N ATOM 852 CA GLU A 58 6.832 -13.911 14.802 1.00 62.25 C ATOM 853 C GLU A 58 6.943 -12.425 14.472 1.00 32.23 C ATOM 854 O GLU A 58 7.724 -12.026 13.609 1.00 22.35 O ATOM 855 CB GLU A 58 5.819 -14.577 13.868 1.00 31.44 C ATOM 856 CG GLU A 58 4.412 -14.018 13.999 1.00 61.23 C ATOM 857 CD GLU A 58 3.489 -14.497 12.895 1.00 64.22 C ATOM 858 OE1 GLU A 58 3.620 -15.667 12.477 1.00 12.25 O ATOM 859 OE2 GLU A 58 2.636 -13.702 12.449 1.00 43.43 O ATOM 0 H GLU A 58 5.569 -14.615 16.321 1.00 43.14 H new ATOM 0 HA GLU A 58 7.809 -14.372 14.656 1.00 62.25 H new ATOM 0 HB2 GLU A 58 6.154 -14.457 12.838 1.00 31.44 H new ATOM 0 HB3 GLU A 58 5.796 -15.647 14.074 1.00 31.44 H new ATOM 0 HG2 GLU A 58 3.998 -14.308 14.965 1.00 61.23 H new ATOM 0 HG3 GLU A 58 4.455 -12.929 13.985 1.00 61.23 H new ATOM 866 N ALA A 59 6.154 -11.611 15.166 1.00 30.22 N ATOM 867 CA ALA A 59 6.164 -10.170 14.949 1.00 13.24 C ATOM 868 C ALA A 59 7.461 -9.548 15.454 1.00 44.45 C ATOM 869 O ALA A 59 7.902 -8.514 14.949 1.00 32.05 O ATOM 870 CB ALA A 59 4.967 -9.525 15.633 1.00 72.32 C ATOM 0 H ALA A 59 5.500 -11.925 15.883 1.00 30.22 H new ATOM 0 HA ALA A 59 6.098 -9.989 13.876 1.00 13.24 H new ATOM 0 HB1 ALA A 59 4.987 -8.449 15.463 1.00 72.32 H new ATOM 0 HB2 ALA A 59 4.046 -9.940 15.223 1.00 72.32 H new ATOM 0 HB3 ALA A 59 5.009 -9.724 16.704 1.00 72.32 H new ATOM 876 N ILE A 60 8.068 -10.183 16.450 1.00 3.45 N ATOM 877 CA ILE A 60 9.316 -9.691 17.022 1.00 52.42 C ATOM 878 C ILE A 60 10.430 -9.678 15.981 1.00 51.23 C ATOM 879 O ILE A 60 11.060 -8.647 15.742 1.00 60.54 O ATOM 880 CB ILE A 60 9.761 -10.546 18.223 1.00 52.21 C ATOM 881 CG1 ILE A 60 8.678 -10.548 19.304 1.00 21.21 C ATOM 882 CG2 ILE A 60 11.076 -10.027 18.784 1.00 23.01 C ATOM 883 CD1 ILE A 60 8.920 -11.563 20.399 1.00 21.22 C ATOM 0 H ILE A 60 7.716 -11.039 16.878 1.00 3.45 H new ATOM 0 HA ILE A 60 9.127 -8.673 17.362 1.00 52.42 H new ATOM 0 HB ILE A 60 9.912 -11.571 17.885 1.00 52.21 H new ATOM 0 HG12 ILE A 60 8.617 -9.554 19.748 1.00 21.21 H new ATOM 0 HG13 ILE A 60 7.713 -10.750 18.840 1.00 21.21 H new ATOM 0 HG21 ILE A 60 11.377 -10.642 19.632 1.00 23.01 H new ATOM 0 HG22 ILE A 60 11.844 -10.072 18.012 1.00 23.01 H new ATOM 0 HG23 ILE A 60 10.950 -8.995 19.110 1.00 23.01 H new ATOM 0 HD11 ILE A 60 8.114 -11.509 21.130 1.00 21.22 H new ATOM 0 HD12 ILE A 60 8.951 -12.563 19.967 1.00 21.22 H new ATOM 0 HD13 ILE A 60 9.870 -11.350 20.890 1.00 21.22 H new ATOM 895 N LYS A 61 10.667 -10.829 15.362 1.00 61.52 N ATOM 896 CA LYS A 61 11.703 -10.952 14.343 1.00 31.00 C ATOM 897 C LYS A 61 11.350 -10.131 13.107 1.00 72.54 C ATOM 898 O LYS A 61 12.226 -9.752 12.331 1.00 1.12 O ATOM 899 CB LYS A 61 11.895 -12.420 13.956 1.00 63.10 C ATOM 900 CG LYS A 61 10.785 -12.967 13.075 1.00 24.43 C ATOM 901 CD LYS A 61 11.240 -13.115 11.633 1.00 55.32 C ATOM 902 CE LYS A 61 10.187 -13.814 10.786 1.00 42.22 C ATOM 903 NZ LYS A 61 10.547 -15.233 10.515 1.00 74.33 N ATOM 0 H LYS A 61 10.155 -11.691 15.548 1.00 61.52 H new ATOM 0 HA LYS A 61 12.634 -10.568 14.759 1.00 31.00 H new ATOM 0 HB2 LYS A 61 12.847 -12.528 13.436 1.00 63.10 H new ATOM 0 HB3 LYS A 61 11.957 -13.021 14.863 1.00 63.10 H new ATOM 0 HG2 LYS A 61 10.460 -13.935 13.456 1.00 24.43 H new ATOM 0 HG3 LYS A 61 9.923 -12.302 13.119 1.00 24.43 H new ATOM 0 HD2 LYS A 61 11.451 -12.131 11.214 1.00 55.32 H new ATOM 0 HD3 LYS A 61 12.170 -13.682 11.600 1.00 55.32 H new ATOM 0 HE2 LYS A 61 9.225 -13.774 11.297 1.00 42.22 H new ATOM 0 HE3 LYS A 61 10.069 -13.282 9.842 1.00 42.22 H new ATOM 0 HZ1 LYS A 61 9.805 -15.675 9.935 1.00 74.33 H new ATOM 0 HZ2 LYS A 61 11.453 -15.270 10.005 1.00 74.33 H new ATOM 0 HZ3 LYS A 61 10.635 -15.747 11.415 1.00 74.33 H new ATOM 917 N ASN A 62 10.061 -9.860 12.930 1.00 34.33 N ATOM 918 CA ASN A 62 9.592 -9.084 11.788 1.00 2.42 C ATOM 919 C ASN A 62 9.941 -7.608 11.954 1.00 2.33 C ATOM 920 O ASN A 62 10.124 -6.888 10.973 1.00 63.53 O ATOM 921 CB ASN A 62 8.080 -9.246 11.620 1.00 2.12 C ATOM 922 CG ASN A 62 7.722 -10.215 10.510 1.00 45.22 C ATOM 923 OD1 ASN A 62 8.048 -9.988 9.344 1.00 22.34 O ATOM 924 ND2 ASN A 62 7.049 -11.302 10.867 1.00 15.45 N ATOM 0 H ASN A 62 9.322 -10.167 13.563 1.00 34.33 H new ATOM 0 HA ASN A 62 10.092 -9.460 10.895 1.00 2.42 H new ATOM 0 HB2 ASN A 62 7.649 -9.596 12.558 1.00 2.12 H new ATOM 0 HB3 ASN A 62 7.635 -8.274 11.408 1.00 2.12 H new ATOM 0 HD21 ASN A 62 6.781 -11.990 10.163 1.00 15.45 H new ATOM 0 HD22 ASN A 62 6.800 -11.449 11.845 1.00 15.45 H new ATOM 931 N ALA A 63 10.032 -7.164 13.204 1.00 42.34 N ATOM 932 CA ALA A 63 10.362 -5.775 13.499 1.00 52.13 C ATOM 933 C ALA A 63 11.857 -5.607 13.749 1.00 54.42 C ATOM 934 O ALA A 63 12.573 -6.563 14.045 1.00 74.52 O ATOM 935 CB ALA A 63 9.566 -5.287 14.700 1.00 34.31 C ATOM 0 H ALA A 63 9.882 -7.746 14.028 1.00 42.34 H new ATOM 0 HA ALA A 63 10.095 -5.172 12.631 1.00 52.13 H new ATOM 0 HB1 ALA A 63 9.823 -4.248 14.909 1.00 34.31 H new ATOM 0 HB2 ALA A 63 8.500 -5.361 14.485 1.00 34.31 H new ATOM 0 HB3 ALA A 63 9.804 -5.901 15.568 1.00 34.31 H new