USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 Single : A 1 VAL N :NH3+ 151:sc= -0.152 (180deg=-0.501) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.735 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.73 K(o=-2.7,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 20 GLN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.18 X(o=-1.2,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -86:sc= 0.925 USER MOD Single : A 29 ASN : amide:sc= 0.171 K(o=0.17,f=-3.6!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.259 USER MOD Single : A 35 TYR OH : rot -67:sc= 1.3 USER MOD Single : A 37 GLN : amide:sc= -0.0433 X(o=-0.043,f=-0.34) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.993 K(o=-0.99,f=-2.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.0152 (180deg=-0.203) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.096 -0.138 0.226 1.00 71.03 N ATOM 2 CA VAL A 1 2.860 -0.136 -1.016 1.00 2.10 C ATOM 3 C VAL A 1 3.636 1.166 -1.181 1.00 62.24 C ATOM 4 O VAL A 1 3.435 2.120 -0.430 1.00 22.01 O ATOM 5 CB VAL A 1 1.945 -0.334 -2.239 1.00 32.12 C ATOM 6 CG1 VAL A 1 1.508 -1.787 -2.349 1.00 42.02 C ATOM 7 CG2 VAL A 1 0.739 0.589 -2.156 1.00 35.11 C ATOM 0 H1 VAL A 1 1.249 -0.731 0.112 1.00 71.03 H new ATOM 0 H2 VAL A 1 2.684 -0.519 0.995 1.00 71.03 H new ATOM 0 H3 VAL A 1 1.809 0.834 0.459 1.00 71.03 H new ATOM 0 HA VAL A 1 3.561 -0.969 -0.958 1.00 2.10 H new ATOM 0 HB VAL A 1 2.508 -0.080 -3.137 1.00 32.12 H new ATOM 0 HG11 VAL A 1 0.862 -1.908 -3.219 1.00 42.02 H new ATOM 0 HG12 VAL A 1 2.386 -2.424 -2.458 1.00 42.02 H new ATOM 0 HG13 VAL A 1 0.962 -2.072 -1.450 1.00 42.02 H new ATOM 0 HG21 VAL A 1 0.103 0.436 -3.028 1.00 35.11 H new ATOM 0 HG22 VAL A 1 0.173 0.368 -1.251 1.00 35.11 H new ATOM 0 HG23 VAL A 1 1.075 1.626 -2.129 1.00 35.11 H new ATOM 17 N ARG A 2 4.523 1.198 -2.171 1.00 23.15 N ATOM 18 CA ARG A 2 5.331 2.383 -2.435 1.00 34.33 C ATOM 19 C ARG A 2 5.751 2.438 -3.900 1.00 50.54 C ATOM 20 O ARG A 2 5.930 1.405 -4.545 1.00 73.11 O ATOM 21 CB ARG A 2 6.569 2.392 -1.537 1.00 43.40 C ATOM 22 CG ARG A 2 7.698 1.512 -2.047 1.00 61.33 C ATOM 23 CD ARG A 2 7.285 0.049 -2.095 1.00 62.12 C ATOM 24 NE ARG A 2 6.635 -0.377 -0.859 1.00 20.12 N ATOM 25 CZ ARG A 2 7.298 -0.729 0.237 1.00 65.11 C ATOM 26 NH1 ARG A 2 8.624 -0.706 0.249 1.00 1.45 N ATOM 27 NH2 ARG A 2 6.636 -1.105 1.323 1.00 32.22 N ATOM 0 H ARG A 2 4.700 0.417 -2.803 1.00 23.15 H new ATOM 0 HA ARG A 2 4.725 3.262 -2.215 1.00 34.33 H new ATOM 0 HB2 ARG A 2 6.932 3.416 -1.443 1.00 43.40 H new ATOM 0 HB3 ARG A 2 6.285 2.061 -0.538 1.00 43.40 H new ATOM 0 HG2 ARG A 2 7.995 1.840 -3.043 1.00 61.33 H new ATOM 0 HG3 ARG A 2 8.569 1.625 -1.401 1.00 61.33 H new ATOM 0 HD2 ARG A 2 6.607 -0.109 -2.934 1.00 62.12 H new ATOM 0 HD3 ARG A 2 8.164 -0.570 -2.274 1.00 62.12 H new ATOM 0 HE ARG A 2 5.616 -0.406 -0.836 1.00 20.12 H new ATOM 0 HH11 ARG A 2 9.137 -0.418 -0.584 1.00 1.45 H new ATOM 0 HH12 ARG A 2 9.131 -0.977 1.092 1.00 1.45 H new ATOM 0 HH21 ARG A 2 5.616 -1.124 1.318 1.00 32.22 H new ATOM 0 HH22 ARG A 2 7.147 -1.375 2.164 1.00 32.22 H new ATOM 41 N ASP A 3 5.906 3.651 -4.420 1.00 45.11 N ATOM 42 CA ASP A 3 6.306 3.842 -5.809 1.00 42.15 C ATOM 43 C ASP A 3 7.826 3.896 -5.935 1.00 54.12 C ATOM 44 O ASP A 3 8.511 4.443 -5.071 1.00 73.34 O ATOM 45 CB ASP A 3 5.690 5.126 -6.368 1.00 31.40 C ATOM 46 CG ASP A 3 4.461 5.561 -5.595 1.00 55.43 C ATOM 47 OD1 ASP A 3 3.566 4.718 -5.378 1.00 74.53 O ATOM 48 OD2 ASP A 3 4.394 6.746 -5.207 1.00 13.23 O ATOM 0 H ASP A 3 5.761 4.517 -3.900 1.00 45.11 H new ATOM 0 HA ASP A 3 5.941 2.992 -6.386 1.00 42.15 H new ATOM 0 HB2 ASP A 3 6.433 5.923 -6.343 1.00 31.40 H new ATOM 0 HB3 ASP A 3 5.423 4.972 -7.414 1.00 31.40 H new ATOM 53 N ALA A 4 8.345 3.324 -7.016 1.00 44.24 N ATOM 54 CA ALA A 4 9.783 3.308 -7.256 1.00 2.04 C ATOM 55 C ALA A 4 10.118 2.555 -8.539 1.00 12.32 C ATOM 56 O ALA A 4 9.225 2.109 -9.259 1.00 55.23 O ATOM 57 CB ALA A 4 10.508 2.685 -6.072 1.00 2.23 C ATOM 0 H ALA A 4 7.791 2.865 -7.740 1.00 44.24 H new ATOM 0 HA ALA A 4 10.118 4.339 -7.373 1.00 2.04 H new ATOM 0 HB1 ALA A 4 11.581 2.679 -6.264 1.00 2.23 H new ATOM 0 HB2 ALA A 4 10.304 3.267 -5.173 1.00 2.23 H new ATOM 0 HB3 ALA A 4 10.160 1.662 -5.929 1.00 2.23 H new ATOM 63 N TYR A 5 11.409 2.418 -8.819 1.00 50.31 N ATOM 64 CA TYR A 5 11.861 1.722 -10.018 1.00 2.13 C ATOM 65 C TYR A 5 11.831 0.210 -9.814 1.00 11.51 C ATOM 66 O TYR A 5 12.707 -0.357 -9.161 1.00 4.41 O ATOM 67 CB TYR A 5 13.276 2.169 -10.390 1.00 11.54 C ATOM 68 CG TYR A 5 13.317 3.470 -11.160 1.00 31.20 C ATOM 69 CD1 TYR A 5 13.056 3.500 -12.524 1.00 74.04 C ATOM 70 CD2 TYR A 5 13.618 4.668 -10.524 1.00 71.12 C ATOM 71 CE1 TYR A 5 13.093 4.686 -13.233 1.00 35.53 C ATOM 72 CE2 TYR A 5 13.656 5.858 -11.224 1.00 53.21 C ATOM 73 CZ TYR A 5 13.393 5.862 -12.578 1.00 75.11 C ATOM 74 OH TYR A 5 13.431 7.045 -13.279 1.00 55.42 O ATOM 0 H TYR A 5 12.161 2.780 -8.232 1.00 50.31 H new ATOM 0 HA TYR A 5 11.181 1.975 -10.832 1.00 2.13 H new ATOM 0 HB2 TYR A 5 13.865 2.277 -9.479 1.00 11.54 H new ATOM 0 HB3 TYR A 5 13.750 1.389 -10.986 1.00 11.54 H new ATOM 0 HD1 TYR A 5 12.820 2.581 -13.039 1.00 74.04 H new ATOM 0 HD2 TYR A 5 13.826 4.669 -9.464 1.00 71.12 H new ATOM 0 HE1 TYR A 5 12.888 4.692 -14.293 1.00 35.53 H new ATOM 0 HE2 TYR A 5 13.890 6.781 -10.714 1.00 53.21 H new ATOM 0 HH TYR A 5 13.656 7.779 -12.670 1.00 55.42 H new ATOM 84 N ILE A 6 10.816 -0.436 -10.378 1.00 40.40 N ATOM 85 CA ILE A 6 10.671 -1.881 -10.260 1.00 65.24 C ATOM 86 C ILE A 6 11.878 -2.604 -10.850 1.00 32.11 C ATOM 87 O ILE A 6 12.476 -2.144 -11.822 1.00 74.22 O ATOM 88 CB ILE A 6 9.395 -2.378 -10.964 1.00 71.40 C ATOM 89 CG1 ILE A 6 9.311 -3.905 -10.897 1.00 11.30 C ATOM 90 CG2 ILE A 6 9.368 -1.904 -12.409 1.00 72.03 C ATOM 91 CD1 ILE A 6 7.925 -4.446 -11.167 1.00 75.12 C ATOM 0 H ILE A 6 10.082 0.019 -10.921 1.00 40.40 H new ATOM 0 HA ILE A 6 10.600 -2.105 -9.196 1.00 65.24 H new ATOM 0 HB ILE A 6 8.529 -1.962 -10.450 1.00 71.40 H new ATOM 0 HG12 ILE A 6 10.006 -4.331 -11.621 1.00 11.30 H new ATOM 0 HG13 ILE A 6 9.636 -4.236 -9.910 1.00 11.30 H new ATOM 0 HG21 ILE A 6 8.460 -2.264 -12.893 1.00 72.03 H new ATOM 0 HG22 ILE A 6 9.386 -0.814 -12.435 1.00 72.03 H new ATOM 0 HG23 ILE A 6 10.239 -2.294 -12.936 1.00 72.03 H new ATOM 0 HD11 ILE A 6 7.940 -5.534 -11.103 1.00 75.12 H new ATOM 0 HD12 ILE A 6 7.229 -4.049 -10.428 1.00 75.12 H new ATOM 0 HD13 ILE A 6 7.605 -4.146 -12.165 1.00 75.12 H new ATOM 103 N ALA A 7 12.229 -3.740 -10.255 1.00 50.43 N ATOM 104 CA ALA A 7 13.361 -4.529 -10.724 1.00 5.33 C ATOM 105 C ALA A 7 13.205 -5.996 -10.339 1.00 10.13 C ATOM 106 O ALA A 7 12.288 -6.361 -9.603 1.00 73.32 O ATOM 107 CB ALA A 7 14.661 -3.970 -10.164 1.00 64.02 C ATOM 0 H ALA A 7 11.746 -4.134 -9.448 1.00 50.43 H new ATOM 0 HA ALA A 7 13.390 -4.467 -11.812 1.00 5.33 H new ATOM 0 HB1 ALA A 7 15.499 -4.569 -10.522 1.00 64.02 H new ATOM 0 HB2 ALA A 7 14.785 -2.938 -10.493 1.00 64.02 H new ATOM 0 HB3 ALA A 7 14.632 -4.002 -9.075 1.00 64.02 H new ATOM 113 N LYS A 8 14.106 -6.834 -10.841 1.00 13.23 N ATOM 114 CA LYS A 8 14.069 -8.262 -10.549 1.00 71.04 C ATOM 115 C LYS A 8 15.359 -8.713 -9.873 1.00 4.23 C ATOM 116 O LYS A 8 16.451 -8.238 -10.186 1.00 65.42 O ATOM 117 CB LYS A 8 13.850 -9.060 -11.836 1.00 74.45 C ATOM 118 CG LYS A 8 15.016 -8.983 -12.806 1.00 61.32 C ATOM 119 CD LYS A 8 15.685 -10.336 -12.982 1.00 62.13 C ATOM 120 CE LYS A 8 17.150 -10.188 -13.364 1.00 50.14 C ATOM 121 NZ LYS A 8 17.488 -10.975 -14.583 1.00 32.15 N ATOM 0 H LYS A 8 14.871 -6.548 -11.452 1.00 13.23 H new ATOM 0 HA LYS A 8 13.239 -8.447 -9.867 1.00 71.04 H new ATOM 0 HB2 LYS A 8 13.670 -10.104 -11.580 1.00 74.45 H new ATOM 0 HB3 LYS A 8 12.951 -8.694 -12.332 1.00 74.45 H new ATOM 0 HG2 LYS A 8 14.663 -8.622 -13.772 1.00 61.32 H new ATOM 0 HG3 LYS A 8 15.746 -8.260 -12.442 1.00 61.32 H new ATOM 0 HD2 LYS A 8 15.605 -10.906 -12.056 1.00 62.13 H new ATOM 0 HD3 LYS A 8 15.163 -10.904 -13.752 1.00 62.13 H new ATOM 0 HE2 LYS A 8 17.376 -9.136 -13.537 1.00 50.14 H new ATOM 0 HE3 LYS A 8 17.776 -10.516 -12.535 1.00 50.14 H new ATOM 0 HZ1 LYS A 8 18.495 -10.848 -14.810 1.00 32.15 H new ATOM 0 HZ2 LYS A 8 17.297 -11.983 -14.410 1.00 32.15 H new ATOM 0 HZ3 LYS A 8 16.909 -10.645 -15.381 1.00 32.15 H new ATOM 135 N PRO A 9 15.234 -9.652 -8.923 1.00 10.40 N ATOM 136 CA PRO A 9 16.381 -10.188 -8.184 1.00 34.20 C ATOM 137 C PRO A 9 17.280 -11.054 -9.059 1.00 64.20 C ATOM 138 O PRO A 9 16.847 -11.574 -10.086 1.00 71.34 O ATOM 139 CB PRO A 9 15.731 -11.032 -7.085 1.00 33.50 C ATOM 140 CG PRO A 9 14.401 -11.415 -7.637 1.00 50.24 C ATOM 141 CD PRO A 9 13.963 -10.262 -8.498 1.00 1.02 C ATOM 0 HA PRO A 9 17.029 -9.397 -7.806 1.00 34.20 H new ATOM 0 HB2 PRO A 9 16.332 -11.912 -6.854 1.00 33.50 H new ATOM 0 HB3 PRO A 9 15.627 -10.465 -6.160 1.00 33.50 H new ATOM 0 HG2 PRO A 9 14.470 -12.333 -8.220 1.00 50.24 H new ATOM 0 HG3 PRO A 9 13.684 -11.599 -6.837 1.00 50.24 H new ATOM 0 HD2 PRO A 9 13.374 -10.599 -9.351 1.00 1.02 H new ATOM 0 HD3 PRO A 9 13.345 -9.557 -7.942 1.00 1.02 H new ATOM 149 N GLU A 10 18.534 -11.204 -8.644 1.00 65.43 N ATOM 150 CA GLU A 10 19.014 -10.574 -7.420 1.00 43.54 C ATOM 151 C GLU A 10 19.466 -9.141 -7.688 1.00 1.31 C ATOM 152 O GLU A 10 20.455 -8.910 -8.382 1.00 72.05 O ATOM 153 CB GLU A 10 20.169 -11.381 -6.823 1.00 12.20 C ATOM 154 CG GLU A 10 20.004 -11.674 -5.341 1.00 52.41 C ATOM 155 CD GLU A 10 20.774 -10.704 -4.466 1.00 31.14 C ATOM 156 OE1 GLU A 10 21.998 -10.891 -4.307 1.00 42.10 O ATOM 157 OE2 GLU A 10 20.151 -9.758 -3.939 1.00 61.12 O ATOM 0 H GLU A 10 19.235 -11.756 -9.137 1.00 65.43 H new ATOM 0 HA GLU A 10 18.190 -10.550 -6.707 1.00 43.54 H new ATOM 0 HB2 GLU A 10 20.260 -12.323 -7.363 1.00 12.20 H new ATOM 0 HB3 GLU A 10 21.100 -10.835 -6.975 1.00 12.20 H new ATOM 0 HG2 GLU A 10 18.946 -11.631 -5.081 1.00 52.41 H new ATOM 0 HG3 GLU A 10 20.342 -12.690 -5.135 1.00 52.41 H new ATOM 164 N ASN A 11 18.733 -8.182 -7.131 1.00 42.22 N ATOM 165 CA ASN A 11 19.057 -6.771 -7.310 1.00 70.11 C ATOM 166 C ASN A 11 19.490 -6.490 -8.746 1.00 32.12 C ATOM 167 O ASN A 11 20.663 -6.227 -9.012 1.00 51.41 O ATOM 168 CB ASN A 11 20.165 -6.354 -6.341 1.00 13.23 C ATOM 169 CG ASN A 11 20.063 -4.895 -5.940 1.00 12.22 C ATOM 170 OD1 ASN A 11 18.983 -4.304 -5.975 1.00 4.20 O ATOM 171 ND2 ASN A 11 21.190 -4.307 -5.556 1.00 50.42 N ATOM 0 H ASN A 11 17.911 -8.356 -6.552 1.00 42.22 H new ATOM 0 HA ASN A 11 18.160 -6.188 -7.099 1.00 70.11 H new ATOM 0 HB2 ASN A 11 20.117 -6.978 -5.448 1.00 13.23 H new ATOM 0 HB3 ASN A 11 21.135 -6.534 -6.804 1.00 13.23 H new ATOM 0 HD21 ASN A 11 21.183 -3.327 -5.274 1.00 50.42 H new ATOM 0 HD22 ASN A 11 22.062 -4.836 -5.543 1.00 50.42 H new ATOM 178 N CYS A 12 18.535 -6.548 -9.668 1.00 13.41 N ATOM 179 CA CYS A 12 18.815 -6.299 -11.077 1.00 23.42 C ATOM 180 C CYS A 12 17.753 -5.393 -11.692 1.00 32.03 C ATOM 181 O CYS A 12 16.555 -5.599 -11.493 1.00 43.24 O ATOM 182 CB CYS A 12 18.881 -7.621 -11.846 1.00 4.44 C ATOM 183 SG CYS A 12 20.568 -8.125 -12.313 1.00 61.23 S ATOM 0 H CYS A 12 17.559 -6.765 -9.464 1.00 13.41 H new ATOM 0 HA CYS A 12 19.780 -5.796 -11.147 1.00 23.42 H new ATOM 0 HB2 CYS A 12 18.434 -8.406 -11.236 1.00 4.44 H new ATOM 0 HB3 CYS A 12 18.276 -7.535 -12.749 1.00 4.44 H new ATOM 188 N VAL A 13 18.200 -4.389 -12.439 1.00 51.03 N ATOM 189 CA VAL A 13 17.289 -3.452 -13.085 1.00 14.43 C ATOM 190 C VAL A 13 16.563 -4.107 -14.254 1.00 60.42 C ATOM 191 O VAL A 13 16.970 -5.164 -14.737 1.00 30.42 O ATOM 192 CB VAL A 13 18.034 -2.203 -13.592 1.00 63.24 C ATOM 193 CG1 VAL A 13 18.786 -1.530 -12.454 1.00 60.21 C ATOM 194 CG2 VAL A 13 18.982 -2.573 -14.723 1.00 43.34 C ATOM 0 H VAL A 13 19.188 -4.204 -12.612 1.00 51.03 H new ATOM 0 HA VAL A 13 16.560 -3.151 -12.332 1.00 14.43 H new ATOM 0 HB VAL A 13 17.301 -1.495 -13.978 1.00 63.24 H new ATOM 0 HG11 VAL A 13 19.306 -0.650 -12.832 1.00 60.21 H new ATOM 0 HG12 VAL A 13 18.081 -1.230 -11.679 1.00 60.21 H new ATOM 0 HG13 VAL A 13 19.511 -2.227 -12.034 1.00 60.21 H new ATOM 0 HG21 VAL A 13 19.501 -1.679 -15.070 1.00 43.34 H new ATOM 0 HG22 VAL A 13 19.711 -3.299 -14.364 1.00 43.34 H new ATOM 0 HG23 VAL A 13 18.414 -3.006 -15.547 1.00 43.34 H new ATOM 204 N TYR A 14 15.487 -3.473 -14.706 1.00 33.32 N ATOM 205 CA TYR A 14 14.702 -3.996 -15.818 1.00 43.12 C ATOM 206 C TYR A 14 14.588 -2.964 -16.936 1.00 63.35 C ATOM 207 O TYR A 14 13.722 -2.092 -16.904 1.00 14.53 O ATOM 208 CB TYR A 14 13.307 -4.402 -15.340 1.00 24.13 C ATOM 209 CG TYR A 14 13.002 -5.869 -15.540 1.00 22.45 C ATOM 210 CD1 TYR A 14 13.276 -6.498 -16.748 1.00 20.12 C ATOM 211 CD2 TYR A 14 12.441 -6.627 -14.519 1.00 73.42 C ATOM 212 CE1 TYR A 14 12.998 -7.838 -16.935 1.00 30.31 C ATOM 213 CE2 TYR A 14 12.161 -7.969 -14.697 1.00 13.52 C ATOM 214 CZ TYR A 14 12.441 -8.569 -15.906 1.00 74.25 C ATOM 215 OH TYR A 14 12.164 -9.905 -16.088 1.00 55.23 O ATOM 0 H TYR A 14 15.138 -2.596 -14.319 1.00 33.32 H new ATOM 0 HA TYR A 14 15.214 -4.875 -16.209 1.00 43.12 H new ATOM 0 HB2 TYR A 14 13.210 -4.160 -14.282 1.00 24.13 H new ATOM 0 HB3 TYR A 14 12.563 -3.809 -15.872 1.00 24.13 H new ATOM 0 HD1 TYR A 14 13.714 -5.929 -17.555 1.00 20.12 H new ATOM 0 HD2 TYR A 14 12.220 -6.160 -13.571 1.00 73.42 H new ATOM 0 HE1 TYR A 14 13.215 -8.311 -17.881 1.00 30.31 H new ATOM 0 HE2 TYR A 14 11.725 -8.544 -13.893 1.00 13.52 H new ATOM 0 HH TYR A 14 11.776 -10.273 -15.267 1.00 55.23 H new ATOM 225 N GLU A 15 15.470 -3.073 -17.925 1.00 61.13 N ATOM 226 CA GLU A 15 15.469 -2.150 -19.054 1.00 51.10 C ATOM 227 C GLU A 15 14.524 -2.633 -20.151 1.00 4.00 C ATOM 228 O GLU A 15 14.585 -3.788 -20.574 1.00 14.12 O ATOM 229 CB GLU A 15 16.884 -1.994 -19.616 1.00 34.51 C ATOM 230 CG GLU A 15 17.466 -3.286 -20.164 1.00 60.23 C ATOM 231 CD GLU A 15 18.946 -3.173 -20.474 1.00 61.52 C ATOM 232 OE1 GLU A 15 19.540 -2.121 -20.160 1.00 22.20 O ATOM 233 OE2 GLU A 15 19.510 -4.139 -21.031 1.00 41.32 O ATOM 0 H GLU A 15 16.194 -3.791 -17.967 1.00 61.13 H new ATOM 0 HA GLU A 15 15.119 -1.181 -18.698 1.00 51.10 H new ATOM 0 HB2 GLU A 15 16.871 -1.246 -20.409 1.00 34.51 H new ATOM 0 HB3 GLU A 15 17.538 -1.615 -18.831 1.00 34.51 H new ATOM 0 HG2 GLU A 15 17.310 -4.086 -19.440 1.00 60.23 H new ATOM 0 HG3 GLU A 15 16.929 -3.567 -21.070 1.00 60.23 H new ATOM 240 N CYS A 16 13.652 -1.741 -20.607 1.00 52.23 N ATOM 241 CA CYS A 16 12.693 -2.074 -21.654 1.00 21.11 C ATOM 242 C CYS A 16 12.706 -1.021 -22.759 1.00 30.54 C ATOM 243 O CYS A 16 13.510 -0.091 -22.735 1.00 2.14 O ATOM 244 CB CYS A 16 11.286 -2.195 -21.066 1.00 11.22 C ATOM 245 SG CYS A 16 10.821 -0.822 -19.962 1.00 21.43 S ATOM 0 H CYS A 16 13.589 -0.781 -20.268 1.00 52.23 H new ATOM 0 HA CYS A 16 12.983 -3.032 -22.086 1.00 21.11 H new ATOM 0 HB2 CYS A 16 10.566 -2.250 -21.883 1.00 11.22 H new ATOM 0 HB3 CYS A 16 11.214 -3.132 -20.513 1.00 11.22 H new ATOM 250 N GLY A 17 11.808 -1.176 -23.727 1.00 32.42 N ATOM 251 CA GLY A 17 11.732 -0.233 -24.827 1.00 3.33 C ATOM 252 C GLY A 17 10.803 -0.700 -25.929 1.00 33.11 C ATOM 253 O GLY A 17 9.808 -0.041 -26.232 1.00 13.23 O ATOM 0 H GLY A 17 11.132 -1.938 -23.769 1.00 32.42 H new ATOM 0 HA2 GLY A 17 11.389 0.731 -24.452 1.00 3.33 H new ATOM 0 HA3 GLY A 17 12.730 -0.079 -25.238 1.00 3.33 H new ATOM 257 N ILE A 18 11.127 -1.839 -26.531 1.00 63.12 N ATOM 258 CA ILE A 18 10.314 -2.393 -27.606 1.00 51.04 C ATOM 259 C ILE A 18 9.143 -3.197 -27.052 1.00 22.44 C ATOM 260 O ILE A 18 7.981 -2.896 -27.327 1.00 4.52 O ATOM 261 CB ILE A 18 11.147 -3.295 -28.536 1.00 25.04 C ATOM 262 CG1 ILE A 18 12.376 -2.540 -29.048 1.00 54.12 C ATOM 263 CG2 ILE A 18 10.298 -3.787 -29.698 1.00 1.10 C ATOM 264 CD1 ILE A 18 13.685 -3.091 -28.528 1.00 35.13 C ATOM 0 H ILE A 18 11.947 -2.396 -26.292 1.00 63.12 H new ATOM 0 HA ILE A 18 9.933 -1.548 -28.179 1.00 51.04 H new ATOM 0 HB ILE A 18 11.487 -4.161 -27.969 1.00 25.04 H new ATOM 0 HG12 ILE A 18 12.385 -2.573 -30.137 1.00 54.12 H new ATOM 0 HG13 ILE A 18 12.293 -1.492 -28.762 1.00 54.12 H new ATOM 0 HG21 ILE A 18 10.901 -4.423 -30.346 1.00 1.10 H new ATOM 0 HG22 ILE A 18 9.452 -4.358 -29.315 1.00 1.10 H new ATOM 0 HG23 ILE A 18 9.931 -2.933 -30.268 1.00 1.10 H new ATOM 0 HD11 ILE A 18 14.512 -2.507 -28.932 1.00 35.13 H new ATOM 0 HD12 ILE A 18 13.698 -3.033 -27.440 1.00 35.13 H new ATOM 0 HD13 ILE A 18 13.790 -4.131 -28.837 1.00 35.13 H new ATOM 276 N THR A 19 9.457 -4.223 -26.266 1.00 75.43 N ATOM 277 CA THR A 19 8.431 -5.072 -25.671 1.00 44.54 C ATOM 278 C THR A 19 7.381 -4.238 -24.946 1.00 61.12 C ATOM 279 O THR A 19 6.189 -4.341 -25.232 1.00 73.24 O ATOM 280 CB THR A 19 9.042 -6.081 -24.682 1.00 24.25 C ATOM 281 OG1 THR A 19 10.463 -5.911 -24.623 1.00 20.13 O ATOM 282 CG2 THR A 19 8.714 -7.509 -25.093 1.00 1.53 C ATOM 0 H THR A 19 10.413 -4.486 -26.027 1.00 75.43 H new ATOM 0 HA THR A 19 7.958 -5.617 -26.488 1.00 44.54 H new ATOM 0 HB THR A 19 8.613 -5.895 -23.697 1.00 24.25 H new ATOM 0 HG1 THR A 19 10.844 -6.555 -23.990 1.00 20.13 H new ATOM 0 HG21 THR A 19 9.156 -8.204 -24.379 1.00 1.53 H new ATOM 0 HG22 THR A 19 7.632 -7.644 -25.108 1.00 1.53 H new ATOM 0 HG23 THR A 19 9.118 -7.704 -26.087 1.00 1.53 H new ATOM 290 N GLN A 20 7.832 -3.413 -24.007 1.00 42.32 N ATOM 291 CA GLN A 20 6.930 -2.561 -23.241 1.00 74.42 C ATOM 292 C GLN A 20 5.889 -3.397 -22.503 1.00 0.22 C ATOM 293 O GLN A 20 4.695 -3.319 -22.794 1.00 45.15 O ATOM 294 CB GLN A 20 6.235 -1.559 -24.164 1.00 13.42 C ATOM 295 CG GLN A 20 5.681 -0.344 -23.436 1.00 21.43 C ATOM 296 CD GLN A 20 5.797 0.928 -24.251 1.00 54.15 C ATOM 297 OE1 GLN A 20 6.235 1.963 -23.749 1.00 40.54 O ATOM 298 NE2 GLN A 20 5.403 0.858 -25.518 1.00 20.33 N ATOM 0 H GLN A 20 8.816 -3.316 -23.758 1.00 42.32 H new ATOM 0 HA GLN A 20 7.521 -2.017 -22.505 1.00 74.42 H new ATOM 0 HB2 GLN A 20 6.942 -1.226 -24.923 1.00 13.42 H new ATOM 0 HB3 GLN A 20 5.421 -2.062 -24.686 1.00 13.42 H new ATOM 0 HG2 GLN A 20 4.634 -0.519 -23.190 1.00 21.43 H new ATOM 0 HG3 GLN A 20 6.213 -0.217 -22.493 1.00 21.43 H new ATOM 0 HE21 GLN A 20 5.046 -0.021 -25.893 1.00 20.33 H new ATOM 0 HE22 GLN A 20 5.457 1.683 -26.115 1.00 20.33 H new ATOM 307 N ASP A 21 6.349 -4.196 -21.546 1.00 43.53 N ATOM 308 CA ASP A 21 5.458 -5.045 -20.765 1.00 61.42 C ATOM 309 C ASP A 21 5.592 -4.748 -19.275 1.00 33.21 C ATOM 310 O ASP A 21 5.368 -5.620 -18.435 1.00 32.05 O ATOM 311 CB ASP A 21 5.761 -6.520 -21.033 1.00 32.51 C ATOM 312 CG ASP A 21 7.028 -6.986 -20.342 1.00 73.15 C ATOM 313 OD1 ASP A 21 8.127 -6.687 -20.855 1.00 21.25 O ATOM 314 OD2 ASP A 21 6.920 -7.649 -19.290 1.00 11.44 O ATOM 0 H ASP A 21 7.334 -4.273 -21.293 1.00 43.53 H new ATOM 0 HA ASP A 21 4.433 -4.831 -21.069 1.00 61.42 H new ATOM 0 HB2 ASP A 21 4.922 -7.128 -20.695 1.00 32.51 H new ATOM 0 HB3 ASP A 21 5.857 -6.679 -22.107 1.00 32.51 H new ATOM 319 N CYS A 22 5.959 -3.512 -18.954 1.00 31.21 N ATOM 320 CA CYS A 22 6.124 -3.099 -17.566 1.00 23.35 C ATOM 321 C CYS A 22 4.784 -3.093 -16.836 1.00 53.05 C ATOM 322 O CYS A 22 4.660 -3.636 -15.740 1.00 35.51 O ATOM 323 CB CYS A 22 6.761 -1.710 -17.497 1.00 50.32 C ATOM 324 SG CYS A 22 8.216 -1.505 -18.575 1.00 14.45 S ATOM 0 H CYS A 22 6.148 -2.779 -19.637 1.00 31.21 H new ATOM 0 HA CYS A 22 6.781 -3.817 -17.076 1.00 23.35 H new ATOM 0 HB2 CYS A 22 6.013 -0.965 -17.769 1.00 50.32 H new ATOM 0 HB3 CYS A 22 7.054 -1.507 -16.467 1.00 50.32 H new ATOM 329 N ASN A 23 3.783 -2.474 -17.455 1.00 22.02 N ATOM 330 CA ASN A 23 2.452 -2.396 -16.865 1.00 75.51 C ATOM 331 C ASN A 23 1.908 -3.790 -16.564 1.00 10.22 C ATOM 332 O ASN A 23 1.305 -4.020 -15.516 1.00 32.15 O ATOM 333 CB ASN A 23 1.497 -1.657 -17.805 1.00 3.33 C ATOM 334 CG ASN A 23 0.469 -0.833 -17.054 1.00 2.15 C ATOM 335 OD1 ASN A 23 0.207 0.319 -17.400 1.00 2.12 O ATOM 336 ND2 ASN A 23 -0.119 -1.422 -16.019 1.00 3.45 N ATOM 0 H ASN A 23 3.869 -2.020 -18.364 1.00 22.02 H new ATOM 0 HA ASN A 23 2.529 -1.844 -15.928 1.00 75.51 H new ATOM 0 HB2 ASN A 23 2.071 -1.005 -18.463 1.00 3.33 H new ATOM 0 HB3 ASN A 23 0.985 -2.380 -18.441 1.00 3.33 H new ATOM 0 HD21 ASN A 23 -0.819 -0.917 -15.475 1.00 3.45 H new ATOM 0 HD22 ASN A 23 0.129 -2.379 -15.768 1.00 3.45 H new ATOM 343 N LYS A 24 2.126 -4.717 -17.490 1.00 42.02 N ATOM 344 CA LYS A 24 1.661 -6.089 -17.325 1.00 12.11 C ATOM 345 C LYS A 24 2.388 -6.775 -16.173 1.00 1.01 C ATOM 346 O LYS A 24 1.760 -7.349 -15.283 1.00 34.24 O ATOM 347 CB LYS A 24 1.871 -6.880 -18.618 1.00 1.10 C ATOM 348 CG LYS A 24 0.917 -8.051 -18.776 1.00 63.34 C ATOM 349 CD LYS A 24 0.067 -7.913 -20.028 1.00 65.14 C ATOM 350 CE LYS A 24 -0.857 -9.107 -20.209 1.00 34.02 C ATOM 351 NZ LYS A 24 -1.890 -8.856 -21.252 1.00 70.10 N ATOM 0 H LYS A 24 2.623 -4.543 -18.364 1.00 42.02 H new ATOM 0 HA LYS A 24 0.596 -6.060 -17.093 1.00 12.11 H new ATOM 0 HB2 LYS A 24 1.753 -6.208 -19.468 1.00 1.10 H new ATOM 0 HB3 LYS A 24 2.896 -7.251 -18.645 1.00 1.10 H new ATOM 0 HG2 LYS A 24 1.485 -8.980 -18.821 1.00 63.34 H new ATOM 0 HG3 LYS A 24 0.270 -8.115 -17.901 1.00 63.34 H new ATOM 0 HD2 LYS A 24 -0.525 -7.000 -19.968 1.00 65.14 H new ATOM 0 HD3 LYS A 24 0.714 -7.817 -20.900 1.00 65.14 H new ATOM 0 HE2 LYS A 24 -0.269 -9.983 -20.484 1.00 34.02 H new ATOM 0 HE3 LYS A 24 -1.345 -9.335 -19.262 1.00 34.02 H new ATOM 0 HZ1 LYS A 24 -2.500 -9.693 -21.345 1.00 70.10 H new ATOM 0 HZ2 LYS A 24 -2.468 -8.036 -20.978 1.00 70.10 H new ATOM 0 HZ3 LYS A 24 -1.425 -8.663 -22.162 1.00 70.10 H new ATOM 365 N LEU A 25 3.715 -6.711 -16.195 1.00 13.31 N ATOM 366 CA LEU A 25 4.528 -7.325 -15.151 1.00 11.31 C ATOM 367 C LEU A 25 4.183 -6.747 -13.782 1.00 30.32 C ATOM 368 O LEU A 25 4.082 -7.478 -12.796 1.00 11.34 O ATOM 369 CB LEU A 25 6.014 -7.115 -15.446 1.00 23.55 C ATOM 370 CG LEU A 25 6.983 -8.025 -14.689 1.00 70.21 C ATOM 371 CD1 LEU A 25 7.112 -9.368 -15.391 1.00 30.33 C ATOM 372 CD2 LEU A 25 8.345 -7.359 -14.554 1.00 35.22 C ATOM 0 H LEU A 25 4.251 -6.240 -16.924 1.00 13.31 H new ATOM 0 HA LEU A 25 4.314 -8.394 -15.138 1.00 11.31 H new ATOM 0 HB2 LEU A 25 6.175 -7.255 -16.515 1.00 23.55 H new ATOM 0 HB3 LEU A 25 6.266 -6.079 -15.218 1.00 23.55 H new ATOM 0 HG LEU A 25 6.584 -8.197 -13.689 1.00 70.21 H new ATOM 0 HD11 LEU A 25 7.805 -10.002 -14.838 1.00 30.33 H new ATOM 0 HD12 LEU A 25 6.136 -9.850 -15.436 1.00 30.33 H new ATOM 0 HD13 LEU A 25 7.488 -9.215 -16.403 1.00 30.33 H new ATOM 0 HD21 LEU A 25 9.021 -8.021 -14.013 1.00 35.22 H new ATOM 0 HD22 LEU A 25 8.751 -7.157 -15.545 1.00 35.22 H new ATOM 0 HD23 LEU A 25 8.239 -6.422 -14.007 1.00 35.22 H new ATOM 384 N CYS A 26 4.001 -5.432 -13.729 1.00 22.12 N ATOM 385 CA CYS A 26 3.666 -4.756 -12.482 1.00 14.42 C ATOM 386 C CYS A 26 2.335 -5.260 -11.931 1.00 11.34 C ATOM 387 O CYS A 26 2.246 -5.675 -10.775 1.00 34.04 O ATOM 388 CB CYS A 26 3.600 -3.243 -12.700 1.00 14.33 C ATOM 389 SG CYS A 26 4.285 -2.263 -11.325 1.00 51.13 S ATOM 0 H CYS A 26 4.080 -4.813 -14.536 1.00 22.12 H new ATOM 0 HA CYS A 26 4.448 -4.978 -11.756 1.00 14.42 H new ATOM 0 HB2 CYS A 26 4.140 -2.994 -13.614 1.00 14.33 H new ATOM 0 HB3 CYS A 26 2.561 -2.954 -12.856 1.00 14.33 H new ATOM 394 N THR A 27 1.302 -5.221 -12.766 1.00 55.42 N ATOM 395 CA THR A 27 -0.024 -5.672 -12.364 1.00 34.05 C ATOM 396 C THR A 27 0.015 -7.109 -11.855 1.00 53.40 C ATOM 397 O THR A 27 -0.456 -7.400 -10.756 1.00 71.12 O ATOM 398 CB THR A 27 -1.027 -5.579 -13.529 1.00 34.11 C ATOM 399 OG1 THR A 27 -0.386 -5.941 -14.757 1.00 51.31 O ATOM 400 CG2 THR A 27 -1.596 -4.173 -13.643 1.00 0.23 C ATOM 0 H THR A 27 1.358 -4.881 -13.726 1.00 55.42 H new ATOM 0 HA THR A 27 -0.351 -5.013 -11.560 1.00 34.05 H new ATOM 0 HB THR A 27 -1.846 -6.270 -13.330 1.00 34.11 H new ATOM 0 HG1 THR A 27 0.053 -5.154 -15.142 1.00 51.31 H new ATOM 0 HG21 THR A 27 -2.302 -4.132 -14.473 1.00 0.23 H new ATOM 0 HG22 THR A 27 -2.109 -3.912 -12.717 1.00 0.23 H new ATOM 0 HG23 THR A 27 -0.786 -3.466 -13.821 1.00 0.23 H new ATOM 408 N GLU A 28 0.580 -8.002 -12.661 1.00 54.24 N ATOM 409 CA GLU A 28 0.679 -9.409 -12.291 1.00 44.33 C ATOM 410 C GLU A 28 1.378 -9.569 -10.944 1.00 43.32 C ATOM 411 O GLU A 28 0.955 -10.361 -10.104 1.00 22.40 O ATOM 412 CB GLU A 28 1.437 -10.190 -13.367 1.00 41.42 C ATOM 413 CG GLU A 28 0.583 -11.220 -14.086 1.00 70.14 C ATOM 414 CD GLU A 28 0.347 -12.465 -13.254 1.00 71.52 C ATOM 415 OE1 GLU A 28 1.227 -13.352 -13.249 1.00 14.44 O ATOM 416 OE2 GLU A 28 -0.718 -12.553 -12.608 1.00 73.30 O ATOM 0 H GLU A 28 0.976 -7.777 -13.574 1.00 54.24 H new ATOM 0 HA GLU A 28 -0.332 -9.808 -12.206 1.00 44.33 H new ATOM 0 HB2 GLU A 28 1.838 -9.488 -14.098 1.00 41.42 H new ATOM 0 HB3 GLU A 28 2.288 -10.693 -12.908 1.00 41.42 H new ATOM 0 HG2 GLU A 28 -0.377 -10.773 -14.345 1.00 70.14 H new ATOM 0 HG3 GLU A 28 1.068 -11.499 -15.022 1.00 70.14 H new ATOM 423 N ASN A 29 2.451 -8.810 -10.747 1.00 44.31 N ATOM 424 CA ASN A 29 3.210 -8.867 -9.503 1.00 64.41 C ATOM 425 C ASN A 29 2.331 -8.498 -8.312 1.00 24.40 C ATOM 426 O ASN A 29 2.597 -8.905 -7.182 1.00 0.24 O ATOM 427 CB ASN A 29 4.416 -7.927 -9.573 1.00 34.44 C ATOM 428 CG ASN A 29 5.712 -8.668 -9.835 1.00 25.42 C ATOM 429 OD1 ASN A 29 6.451 -8.997 -8.906 1.00 43.24 O ATOM 430 ND2 ASN A 29 5.995 -8.935 -11.105 1.00 1.13 N ATOM 0 H ASN A 29 2.815 -8.148 -11.433 1.00 44.31 H new ATOM 0 HA ASN A 29 3.563 -9.890 -9.368 1.00 64.41 H new ATOM 0 HB2 ASN A 29 4.255 -7.192 -10.362 1.00 34.44 H new ATOM 0 HB3 ASN A 29 4.499 -7.376 -8.636 1.00 34.44 H new ATOM 0 HD21 ASN A 29 6.854 -9.432 -11.343 1.00 1.13 H new ATOM 0 HD22 ASN A 29 5.354 -8.644 -11.843 1.00 1.13 H new ATOM 437 N GLY A 30 1.282 -7.725 -8.575 1.00 21.14 N ATOM 438 CA GLY A 30 0.380 -7.314 -7.515 1.00 35.50 C ATOM 439 C GLY A 30 0.509 -5.842 -7.181 1.00 42.42 C ATOM 440 O GLY A 30 0.114 -5.406 -6.100 1.00 61.12 O ATOM 0 H GLY A 30 1.041 -7.376 -9.503 1.00 21.14 H new ATOM 0 HA2 GLY A 30 -0.647 -7.527 -7.813 1.00 35.50 H new ATOM 0 HA3 GLY A 30 0.581 -7.905 -6.622 1.00 35.50 H new ATOM 444 N ALA A 31 1.066 -5.073 -8.111 1.00 40.52 N ATOM 445 CA ALA A 31 1.247 -3.640 -7.910 1.00 74.23 C ATOM 446 C ALA A 31 0.055 -2.856 -8.449 1.00 10.20 C ATOM 447 O ALA A 31 -0.870 -3.431 -9.022 1.00 44.21 O ATOM 448 CB ALA A 31 2.533 -3.172 -8.575 1.00 31.15 C ATOM 0 H ALA A 31 1.400 -5.418 -9.011 1.00 40.52 H new ATOM 0 HA ALA A 31 1.317 -3.454 -6.838 1.00 74.23 H new ATOM 0 HB1 ALA A 31 2.655 -2.100 -8.417 1.00 31.15 H new ATOM 0 HB2 ALA A 31 3.381 -3.702 -8.141 1.00 31.15 H new ATOM 0 HB3 ALA A 31 2.485 -3.378 -9.644 1.00 31.15 H new ATOM 454 N GLU A 32 0.084 -1.540 -8.260 1.00 60.20 N ATOM 455 CA GLU A 32 -0.996 -0.678 -8.726 1.00 63.24 C ATOM 456 C GLU A 32 -0.819 -0.336 -10.203 1.00 13.31 C ATOM 457 O GLU A 32 -1.593 -0.780 -11.051 1.00 13.31 O ATOM 458 CB GLU A 32 -1.047 0.606 -7.896 1.00 55.23 C ATOM 459 CG GLU A 32 -2.344 1.382 -8.056 1.00 41.31 C ATOM 460 CD GLU A 32 -2.114 2.826 -8.459 1.00 63.11 C ATOM 461 OE1 GLU A 32 -1.101 3.411 -8.021 1.00 31.40 O ATOM 462 OE2 GLU A 32 -2.947 3.371 -9.213 1.00 61.33 O ATOM 0 H GLU A 32 0.843 -1.048 -7.788 1.00 60.20 H new ATOM 0 HA GLU A 32 -1.936 -1.217 -8.606 1.00 63.24 H new ATOM 0 HB2 GLU A 32 -0.911 0.355 -6.844 1.00 55.23 H new ATOM 0 HB3 GLU A 32 -0.212 1.247 -8.181 1.00 55.23 H new ATOM 0 HG2 GLU A 32 -2.965 0.894 -8.807 1.00 41.31 H new ATOM 0 HG3 GLU A 32 -2.898 1.354 -7.118 1.00 41.31 H new ATOM 469 N SER A 33 0.204 0.458 -10.502 1.00 64.41 N ATOM 470 CA SER A 33 0.481 0.864 -11.875 1.00 73.00 C ATOM 471 C SER A 33 1.935 0.586 -12.242 1.00 23.24 C ATOM 472 O SER A 33 2.789 0.436 -11.369 1.00 24.11 O ATOM 473 CB SER A 33 0.171 2.351 -12.061 1.00 63.33 C ATOM 474 OG SER A 33 -0.540 2.867 -10.950 1.00 21.23 O ATOM 0 H SER A 33 0.855 0.833 -9.812 1.00 64.41 H new ATOM 0 HA SER A 33 -0.159 0.281 -12.536 1.00 73.00 H new ATOM 0 HB2 SER A 33 1.100 2.906 -12.191 1.00 63.33 H new ATOM 0 HB3 SER A 33 -0.415 2.493 -12.969 1.00 63.33 H new ATOM 0 HG SER A 33 -0.724 3.819 -11.093 1.00 21.23 H new ATOM 480 N GLY A 34 2.209 0.518 -13.541 1.00 43.10 N ATOM 481 CA GLY A 34 3.561 0.258 -14.002 1.00 34.03 C ATOM 482 C GLY A 34 3.751 0.606 -15.465 1.00 24.53 C ATOM 483 O GLY A 34 2.851 0.406 -16.280 1.00 15.00 O ATOM 0 H GLY A 34 1.519 0.638 -14.283 1.00 43.10 H new ATOM 0 HA2 GLY A 34 4.264 0.834 -13.400 1.00 34.03 H new ATOM 0 HA3 GLY A 34 3.798 -0.795 -13.848 1.00 34.03 H new ATOM 487 N TYR A 35 4.926 1.128 -15.798 1.00 40.25 N ATOM 488 CA TYR A 35 5.231 1.508 -17.173 1.00 14.42 C ATOM 489 C TYR A 35 6.738 1.551 -17.405 1.00 31.20 C ATOM 490 O TYR A 35 7.527 1.382 -16.475 1.00 34.24 O ATOM 491 CB TYR A 35 4.615 2.871 -17.495 1.00 42.14 C ATOM 492 CG TYR A 35 4.810 3.898 -16.403 1.00 25.33 C ATOM 493 CD1 TYR A 35 6.065 4.436 -16.145 1.00 23.15 C ATOM 494 CD2 TYR A 35 3.741 4.329 -15.628 1.00 31.21 C ATOM 495 CE1 TYR A 35 6.249 5.374 -15.147 1.00 32.32 C ATOM 496 CE2 TYR A 35 3.915 5.267 -14.629 1.00 52.21 C ATOM 497 CZ TYR A 35 5.170 5.786 -14.392 1.00 44.42 C ATOM 498 OH TYR A 35 5.348 6.720 -13.397 1.00 40.33 O ATOM 0 H TYR A 35 5.683 1.298 -15.135 1.00 40.25 H new ATOM 0 HA TYR A 35 4.801 0.756 -17.835 1.00 14.42 H new ATOM 0 HB2 TYR A 35 5.052 3.249 -18.419 1.00 42.14 H new ATOM 0 HB3 TYR A 35 3.548 2.744 -17.676 1.00 42.14 H new ATOM 0 HD1 TYR A 35 6.911 4.116 -16.735 1.00 23.15 H new ATOM 0 HD2 TYR A 35 2.757 3.924 -15.810 1.00 31.21 H new ATOM 0 HE1 TYR A 35 7.231 5.782 -14.959 1.00 32.32 H new ATOM 0 HE2 TYR A 35 3.072 5.592 -14.037 1.00 52.21 H new ATOM 0 HH TYR A 35 5.889 6.333 -12.678 1.00 40.33 H new ATOM 508 N CYS A 36 7.131 1.778 -18.654 1.00 3.43 N ATOM 509 CA CYS A 36 8.543 1.844 -19.011 1.00 61.23 C ATOM 510 C CYS A 36 9.058 3.278 -18.933 1.00 1.11 C ATOM 511 O CYS A 36 8.634 4.143 -19.699 1.00 72.41 O ATOM 512 CB CYS A 36 8.760 1.289 -20.420 1.00 61.33 C ATOM 513 SG CYS A 36 8.804 -0.531 -20.504 1.00 41.41 S ATOM 0 H CYS A 36 6.491 1.919 -19.436 1.00 3.43 H new ATOM 0 HA CYS A 36 9.101 1.237 -18.298 1.00 61.23 H new ATOM 0 HB2 CYS A 36 7.963 1.653 -21.069 1.00 61.33 H new ATOM 0 HB3 CYS A 36 9.697 1.683 -20.814 1.00 61.33 H new ATOM 518 N GLN A 37 9.975 3.522 -18.002 1.00 31.31 N ATOM 519 CA GLN A 37 10.547 4.851 -17.823 1.00 62.14 C ATOM 520 C GLN A 37 11.777 5.037 -18.706 1.00 51.12 C ATOM 521 O GLN A 37 12.887 4.664 -18.327 1.00 1.41 O ATOM 522 CB GLN A 37 10.919 5.076 -16.357 1.00 13.52 C ATOM 523 CG GLN A 37 10.140 6.204 -15.698 1.00 74.53 C ATOM 524 CD GLN A 37 10.382 7.545 -16.361 1.00 1.43 C ATOM 525 OE1 GLN A 37 11.508 7.869 -16.740 1.00 0.11 O ATOM 526 NE2 GLN A 37 9.324 8.335 -16.504 1.00 21.00 N ATOM 0 H GLN A 37 10.337 2.817 -17.360 1.00 31.31 H new ATOM 0 HA GLN A 37 9.796 5.585 -18.117 1.00 62.14 H new ATOM 0 HB2 GLN A 37 10.747 4.154 -15.802 1.00 13.52 H new ATOM 0 HB3 GLN A 37 11.985 5.294 -16.291 1.00 13.52 H new ATOM 0 HG2 GLN A 37 9.075 5.973 -15.732 1.00 74.53 H new ATOM 0 HG3 GLN A 37 10.419 6.267 -14.646 1.00 74.53 H new ATOM 0 HE21 GLN A 37 8.409 8.026 -16.175 1.00 21.00 H new ATOM 0 HE22 GLN A 37 9.426 9.250 -16.942 1.00 21.00 H new ATOM 535 N TRP A 38 11.571 5.615 -19.884 1.00 61.10 N ATOM 536 CA TRP A 38 12.664 5.850 -20.821 1.00 72.01 C ATOM 537 C TRP A 38 13.378 7.160 -20.507 1.00 52.01 C ATOM 538 O TRP A 38 13.015 8.215 -21.025 1.00 13.44 O ATOM 539 CB TRP A 38 12.136 5.874 -22.256 1.00 73.14 C ATOM 540 CG TRP A 38 12.413 4.610 -23.013 1.00 4.13 C ATOM 541 CD1 TRP A 38 12.564 3.358 -22.489 1.00 32.21 C ATOM 542 CD2 TRP A 38 12.576 4.477 -24.429 1.00 34.11 C ATOM 543 NE1 TRP A 38 12.810 2.454 -23.494 1.00 52.13 N ATOM 544 CE2 TRP A 38 12.821 3.115 -24.694 1.00 1.31 C ATOM 545 CE3 TRP A 38 12.535 5.375 -25.499 1.00 63.41 C ATOM 546 CZ2 TRP A 38 13.026 2.634 -25.984 1.00 62.40 C ATOM 547 CZ3 TRP A 38 12.739 4.895 -26.779 1.00 23.11 C ATOM 548 CH2 TRP A 38 12.981 3.535 -27.013 1.00 24.31 C ATOM 0 H TRP A 38 10.658 5.929 -20.213 1.00 61.10 H new ATOM 0 HA TRP A 38 13.380 5.034 -20.718 1.00 72.01 H new ATOM 0 HB2 TRP A 38 11.060 6.049 -22.237 1.00 73.14 H new ATOM 0 HB3 TRP A 38 12.586 6.713 -22.787 1.00 73.14 H new ATOM 0 HD1 TRP A 38 12.500 3.114 -21.439 1.00 32.21 H new ATOM 0 HE1 TRP A 38 12.960 1.453 -23.367 1.00 52.13 H new ATOM 0 HE3 TRP A 38 12.347 6.425 -25.329 1.00 63.41 H new ATOM 0 HZ2 TRP A 38 13.214 1.586 -26.166 1.00 62.40 H new ATOM 0 HZ3 TRP A 38 12.711 5.580 -27.613 1.00 23.11 H new ATOM 0 HH2 TRP A 38 13.135 3.191 -28.025 1.00 24.31 H new ATOM 559 N GLY A 39 14.396 7.085 -19.656 1.00 23.15 N ATOM 560 CA GLY A 39 15.145 8.272 -19.288 1.00 11.42 C ATOM 561 C GLY A 39 14.886 8.701 -17.857 1.00 42.00 C ATOM 562 O GLY A 39 14.077 9.593 -17.605 1.00 61.24 O ATOM 0 H GLY A 39 14.716 6.223 -19.214 1.00 23.15 H new ATOM 0 HA2 GLY A 39 16.210 8.081 -19.420 1.00 11.42 H new ATOM 0 HA3 GLY A 39 14.882 9.087 -19.962 1.00 11.42 H new ATOM 566 N GLY A 40 15.575 8.062 -16.916 1.00 12.43 N ATOM 567 CA GLY A 40 15.400 8.395 -15.514 1.00 51.30 C ATOM 568 C GLY A 40 16.698 8.325 -14.735 1.00 22.10 C ATOM 569 O GLY A 40 17.781 8.460 -15.305 1.00 24.33 O ATOM 0 H GLY A 40 16.251 7.320 -17.099 1.00 12.43 H new ATOM 0 HA2 GLY A 40 14.984 9.399 -15.431 1.00 51.30 H new ATOM 0 HA3 GLY A 40 14.676 7.712 -15.069 1.00 51.30 H new ATOM 573 N LYS A 41 16.591 8.115 -13.427 1.00 61.34 N ATOM 574 CA LYS A 41 17.765 8.027 -12.567 1.00 42.03 C ATOM 575 C LYS A 41 18.778 7.035 -13.129 1.00 63.31 C ATOM 576 O LYS A 41 19.941 7.376 -13.346 1.00 62.13 O ATOM 577 CB LYS A 41 17.357 7.609 -11.153 1.00 13.41 C ATOM 578 CG LYS A 41 18.040 8.414 -10.060 1.00 75.31 C ATOM 579 CD LYS A 41 17.109 8.658 -8.884 1.00 3.42 C ATOM 580 CE LYS A 41 16.986 7.423 -8.005 1.00 14.32 C ATOM 581 NZ LYS A 41 15.652 7.342 -7.347 1.00 1.01 N ATOM 0 H LYS A 41 15.702 8.003 -12.939 1.00 61.34 H new ATOM 0 HA LYS A 41 18.230 9.012 -12.528 1.00 42.03 H new ATOM 0 HB2 LYS A 41 16.277 7.714 -11.049 1.00 13.41 H new ATOM 0 HB3 LYS A 41 17.589 6.553 -11.014 1.00 13.41 H new ATOM 0 HG2 LYS A 41 18.929 7.884 -9.718 1.00 75.31 H new ATOM 0 HG3 LYS A 41 18.374 9.369 -10.465 1.00 75.31 H new ATOM 0 HD2 LYS A 41 17.482 9.493 -8.290 1.00 3.42 H new ATOM 0 HD3 LYS A 41 16.124 8.944 -9.252 1.00 3.42 H new ATOM 0 HE2 LYS A 41 17.148 6.530 -8.608 1.00 14.32 H new ATOM 0 HE3 LYS A 41 17.766 7.440 -7.244 1.00 14.32 H new ATOM 0 HZ1 LYS A 41 15.607 6.487 -6.757 1.00 1.01 H new ATOM 0 HZ2 LYS A 41 15.507 8.182 -6.751 1.00 1.01 H new ATOM 0 HZ3 LYS A 41 14.909 7.301 -8.073 1.00 1.01 H new ATOM 595 N TYR A 42 18.329 5.807 -13.363 1.00 62.34 N ATOM 596 CA TYR A 42 19.197 4.765 -13.899 1.00 61.22 C ATOM 597 C TYR A 42 19.060 4.668 -15.416 1.00 0.14 C ATOM 598 O TYR A 42 19.323 3.623 -16.009 1.00 35.22 O ATOM 599 CB TYR A 42 18.865 3.416 -13.259 1.00 30.01 C ATOM 600 CG TYR A 42 19.393 3.268 -11.850 1.00 2.11 C ATOM 601 CD1 TYR A 42 20.684 2.811 -11.616 1.00 23.14 C ATOM 602 CD2 TYR A 42 18.601 3.584 -10.753 1.00 43.51 C ATOM 603 CE1 TYR A 42 21.171 2.674 -10.330 1.00 61.51 C ATOM 604 CE2 TYR A 42 19.080 3.452 -9.464 1.00 62.42 C ATOM 605 CZ TYR A 42 20.365 2.996 -9.258 1.00 25.42 C ATOM 606 OH TYR A 42 20.846 2.860 -7.975 1.00 52.54 O ATOM 0 H TYR A 42 17.369 5.509 -13.190 1.00 62.34 H new ATOM 0 HA TYR A 42 20.228 5.029 -13.661 1.00 61.22 H new ATOM 0 HB2 TYR A 42 17.783 3.285 -13.248 1.00 30.01 H new ATOM 0 HB3 TYR A 42 19.276 2.619 -13.878 1.00 30.01 H new ATOM 0 HD1 TYR A 42 21.318 2.559 -12.453 1.00 23.14 H new ATOM 0 HD2 TYR A 42 17.593 3.939 -10.911 1.00 43.51 H new ATOM 0 HE1 TYR A 42 22.177 2.317 -10.165 1.00 61.51 H new ATOM 0 HE2 TYR A 42 18.452 3.704 -8.623 1.00 62.42 H new ATOM 0 HH TYR A 42 20.154 3.130 -7.336 1.00 52.54 H new ATOM 616 N GLY A 43 18.647 5.768 -16.037 1.00 53.44 N ATOM 617 CA GLY A 43 18.482 5.788 -17.479 1.00 50.21 C ATOM 618 C GLY A 43 17.214 5.088 -17.928 1.00 4.45 C ATOM 619 O GLY A 43 16.119 5.427 -17.480 1.00 64.23 O ATOM 0 H GLY A 43 18.424 6.646 -15.568 1.00 53.44 H new ATOM 0 HA2 GLY A 43 18.465 6.821 -17.825 1.00 50.21 H new ATOM 0 HA3 GLY A 43 19.342 5.309 -17.947 1.00 50.21 H new ATOM 623 N ASN A 44 17.363 4.110 -18.815 1.00 55.43 N ATOM 624 CA ASN A 44 16.220 3.363 -19.326 1.00 75.54 C ATOM 625 C ASN A 44 15.851 2.220 -18.384 1.00 45.42 C ATOM 626 O ASN A 44 16.556 1.215 -18.307 1.00 21.42 O ATOM 627 CB ASN A 44 16.527 2.810 -20.720 1.00 12.23 C ATOM 628 CG ASN A 44 16.031 3.722 -21.825 1.00 72.14 C ATOM 629 OD1 ASN A 44 15.438 3.265 -22.803 1.00 31.02 O ATOM 630 ND2 ASN A 44 16.272 5.019 -21.675 1.00 42.13 N ATOM 0 H ASN A 44 18.263 3.816 -19.195 1.00 55.43 H new ATOM 0 HA ASN A 44 15.372 4.045 -19.391 1.00 75.54 H new ATOM 0 HB2 ASN A 44 17.603 2.670 -20.824 1.00 12.23 H new ATOM 0 HB3 ASN A 44 16.066 1.828 -20.828 1.00 12.23 H new ATOM 0 HD21 ASN A 44 15.962 5.681 -22.387 1.00 42.13 H new ATOM 0 HD22 ASN A 44 16.767 5.353 -20.848 1.00 42.13 H new ATOM 637 N ALA A 45 14.742 2.384 -17.670 1.00 65.32 N ATOM 638 CA ALA A 45 14.279 1.366 -16.735 1.00 70.14 C ATOM 639 C ALA A 45 12.767 1.437 -16.551 1.00 51.24 C ATOM 640 O ALA A 45 12.158 2.491 -16.737 1.00 14.23 O ATOM 641 CB ALA A 45 14.983 1.520 -15.396 1.00 24.14 C ATOM 0 H ALA A 45 14.148 3.212 -17.721 1.00 65.32 H new ATOM 0 HA ALA A 45 14.523 0.388 -17.151 1.00 70.14 H new ATOM 0 HB1 ALA A 45 14.627 0.753 -14.708 1.00 24.14 H new ATOM 0 HB2 ALA A 45 16.059 1.412 -15.536 1.00 24.14 H new ATOM 0 HB3 ALA A 45 14.768 2.506 -14.983 1.00 24.14 H new ATOM 647 N CYS A 46 12.166 0.309 -16.187 1.00 1.53 N ATOM 648 CA CYS A 46 10.725 0.243 -15.979 1.00 13.03 C ATOM 649 C CYS A 46 10.350 0.763 -14.594 1.00 4.22 C ATOM 650 O CYS A 46 10.860 0.283 -13.581 1.00 15.20 O ATOM 651 CB CYS A 46 10.230 -1.195 -16.146 1.00 51.14 C ATOM 652 SG CYS A 46 9.951 -1.688 -17.878 1.00 32.13 S ATOM 0 H CYS A 46 12.655 -0.572 -16.030 1.00 1.53 H new ATOM 0 HA CYS A 46 10.246 0.875 -16.727 1.00 13.03 H new ATOM 0 HB2 CYS A 46 10.957 -1.873 -15.699 1.00 51.14 H new ATOM 0 HB3 CYS A 46 9.300 -1.315 -15.591 1.00 51.14 H new ATOM 657 N TRP A 47 9.458 1.746 -14.559 1.00 1.13 N ATOM 658 CA TRP A 47 9.015 2.331 -13.298 1.00 42.43 C ATOM 659 C TRP A 47 7.655 1.777 -12.889 1.00 51.52 C ATOM 660 O TRP A 47 6.827 1.446 -13.739 1.00 3.33 O ATOM 661 CB TRP A 47 8.945 3.855 -13.417 1.00 32.34 C ATOM 662 CG TRP A 47 8.342 4.517 -12.215 1.00 31.44 C ATOM 663 CD1 TRP A 47 7.012 4.650 -11.933 1.00 43.42 C ATOM 664 CD2 TRP A 47 9.047 5.136 -11.134 1.00 2.44 C ATOM 665 NE1 TRP A 47 6.848 5.316 -10.742 1.00 44.13 N ATOM 666 CE2 TRP A 47 8.081 5.624 -10.232 1.00 5.24 C ATOM 667 CE3 TRP A 47 10.400 5.325 -10.839 1.00 21.22 C ATOM 668 CZ2 TRP A 47 8.428 6.288 -9.058 1.00 10.41 C ATOM 669 CZ3 TRP A 47 10.742 5.984 -9.674 1.00 3.42 C ATOM 670 CH2 TRP A 47 9.760 6.459 -8.795 1.00 11.15 C ATOM 0 H TRP A 47 9.027 2.155 -15.388 1.00 1.13 H new ATOM 0 HA TRP A 47 9.740 2.066 -12.528 1.00 42.43 H new ATOM 0 HB2 TRP A 47 9.950 4.247 -13.573 1.00 32.34 H new ATOM 0 HB3 TRP A 47 8.360 4.117 -14.299 1.00 32.34 H new ATOM 0 HD1 TRP A 47 6.208 4.285 -12.555 1.00 43.42 H new ATOM 0 HE1 TRP A 47 5.953 5.544 -10.308 1.00 44.13 H new ATOM 0 HE3 TRP A 47 11.165 4.962 -11.510 1.00 21.22 H new ATOM 0 HZ2 TRP A 47 7.672 6.655 -8.379 1.00 10.41 H new ATOM 0 HZ3 TRP A 47 11.785 6.136 -9.437 1.00 3.42 H new ATOM 0 HH2 TRP A 47 10.060 6.970 -7.892 1.00 11.15 H new ATOM 681 N CYS A 48 7.429 1.679 -11.583 1.00 42.34 N ATOM 682 CA CYS A 48 6.169 1.165 -11.061 1.00 51.22 C ATOM 683 C CYS A 48 5.637 2.060 -9.945 1.00 62.21 C ATOM 684 O CYS A 48 6.409 2.671 -9.205 1.00 53.23 O ATOM 685 CB CYS A 48 6.352 -0.262 -10.542 1.00 23.20 C ATOM 686 SG CYS A 48 6.057 -1.552 -11.794 1.00 21.43 S ATOM 0 H CYS A 48 8.103 1.949 -10.867 1.00 42.34 H new ATOM 0 HA CYS A 48 5.443 1.158 -11.874 1.00 51.22 H new ATOM 0 HB2 CYS A 48 7.366 -0.370 -10.157 1.00 23.20 H new ATOM 0 HB3 CYS A 48 5.674 -0.422 -9.704 1.00 23.20 H new ATOM 691 N ILE A 49 4.315 2.131 -9.830 1.00 64.53 N ATOM 692 CA ILE A 49 3.681 2.949 -8.804 1.00 71.42 C ATOM 693 C ILE A 49 2.880 2.088 -7.832 1.00 43.45 C ATOM 694 O ILE A 49 2.061 1.266 -8.243 1.00 65.23 O ATOM 695 CB ILE A 49 2.749 4.006 -9.424 1.00 54.22 C ATOM 696 CG1 ILE A 49 3.527 4.900 -10.392 1.00 22.40 C ATOM 697 CG2 ILE A 49 2.095 4.841 -8.333 1.00 43.10 C ATOM 698 CD1 ILE A 49 2.643 5.669 -11.348 1.00 41.12 C ATOM 0 H ILE A 49 3.663 1.632 -10.435 1.00 64.53 H new ATOM 0 HA ILE A 49 4.481 3.454 -8.263 1.00 71.42 H new ATOM 0 HB ILE A 49 1.965 3.494 -9.982 1.00 54.22 H new ATOM 0 HG12 ILE A 49 4.128 5.606 -9.819 1.00 22.40 H new ATOM 0 HG13 ILE A 49 4.219 4.284 -10.966 1.00 22.40 H new ATOM 0 HG21 ILE A 49 1.439 5.584 -8.787 1.00 43.10 H new ATOM 0 HG22 ILE A 49 1.511 4.193 -7.679 1.00 43.10 H new ATOM 0 HG23 ILE A 49 2.865 5.345 -7.750 1.00 43.10 H new ATOM 0 HD11 ILE A 49 3.262 6.281 -12.004 1.00 41.12 H new ATOM 0 HD12 ILE A 49 2.061 4.969 -11.948 1.00 41.12 H new ATOM 0 HD13 ILE A 49 1.968 6.312 -10.783 1.00 41.12 H new ATOM 710 N LYS A 50 3.121 2.285 -6.541 1.00 32.14 N ATOM 711 CA LYS A 50 2.421 1.530 -5.508 1.00 53.20 C ATOM 712 C LYS A 50 2.743 0.043 -5.608 1.00 64.32 C ATOM 713 O LYS A 50 1.953 -0.740 -6.136 1.00 74.40 O ATOM 714 CB LYS A 50 0.910 1.744 -5.627 1.00 0.23 C ATOM 715 CG LYS A 50 0.361 2.765 -4.645 1.00 45.30 C ATOM 716 CD LYS A 50 -1.122 2.556 -4.394 1.00 15.01 C ATOM 717 CE LYS A 50 -1.827 3.869 -4.091 1.00 11.51 C ATOM 718 NZ LYS A 50 -2.295 3.935 -2.679 1.00 31.03 N ATOM 0 H LYS A 50 3.796 2.961 -6.184 1.00 32.14 H new ATOM 0 HA LYS A 50 2.758 1.892 -4.537 1.00 53.20 H new ATOM 0 HB2 LYS A 50 0.676 2.066 -6.642 1.00 0.23 H new ATOM 0 HB3 LYS A 50 0.403 0.792 -5.470 1.00 0.23 H new ATOM 0 HG2 LYS A 50 0.904 2.693 -3.703 1.00 45.30 H new ATOM 0 HG3 LYS A 50 0.527 3.770 -5.033 1.00 45.30 H new ATOM 0 HD2 LYS A 50 -1.578 2.090 -5.268 1.00 15.01 H new ATOM 0 HD3 LYS A 50 -1.257 1.868 -3.559 1.00 15.01 H new ATOM 0 HE2 LYS A 50 -1.149 4.699 -4.288 1.00 11.51 H new ATOM 0 HE3 LYS A 50 -2.678 3.987 -4.761 1.00 11.51 H new ATOM 0 HZ1 LYS A 50 -2.770 4.845 -2.513 1.00 31.03 H new ATOM 0 HZ2 LYS A 50 -2.962 3.158 -2.498 1.00 31.03 H new ATOM 0 HZ3 LYS A 50 -1.480 3.848 -2.039 1.00 31.03 H new ATOM 732 N LEU A 51 3.908 -0.341 -5.097 1.00 42.15 N ATOM 733 CA LEU A 51 4.335 -1.736 -5.128 1.00 12.40 C ATOM 734 C LEU A 51 4.384 -2.321 -3.720 1.00 43.22 C ATOM 735 O LEU A 51 4.762 -1.654 -2.757 1.00 44.30 O ATOM 736 CB LEU A 51 5.708 -1.855 -5.791 1.00 3.02 C ATOM 737 CG LEU A 51 5.845 -2.939 -6.860 1.00 65.22 C ATOM 738 CD1 LEU A 51 6.397 -2.351 -8.149 1.00 42.54 C ATOM 739 CD2 LEU A 51 6.736 -4.069 -6.363 1.00 41.44 C ATOM 0 H LEU A 51 4.574 0.294 -4.656 1.00 42.15 H new ATOM 0 HA LEU A 51 3.607 -2.301 -5.711 1.00 12.40 H new ATOM 0 HB2 LEU A 51 5.956 -0.894 -6.242 1.00 3.02 H new ATOM 0 HB3 LEU A 51 6.449 -2.043 -5.014 1.00 3.02 H new ATOM 0 HG LEU A 51 4.855 -3.347 -7.065 1.00 65.22 H new ATOM 0 HD11 LEU A 51 6.488 -3.138 -8.898 1.00 42.54 H new ATOM 0 HD12 LEU A 51 5.722 -1.578 -8.515 1.00 42.54 H new ATOM 0 HD13 LEU A 51 7.378 -1.916 -7.959 1.00 42.54 H new ATOM 0 HD21 LEU A 51 6.822 -4.832 -7.137 1.00 41.44 H new ATOM 0 HD22 LEU A 51 7.725 -3.676 -6.129 1.00 41.44 H new ATOM 0 HD23 LEU A 51 6.299 -4.509 -5.467 1.00 41.44 H new ATOM 751 N PRO A 52 3.995 -3.599 -3.596 1.00 45.53 N ATOM 752 CA PRO A 52 3.989 -4.303 -2.311 1.00 2.13 C ATOM 753 C PRO A 52 5.397 -4.579 -1.794 1.00 0.31 C ATOM 754 O PRO A 52 6.335 -4.741 -2.575 1.00 74.11 O ATOM 755 CB PRO A 52 3.270 -5.616 -2.629 1.00 53.11 C ATOM 756 CG PRO A 52 3.492 -5.826 -4.087 1.00 45.01 C ATOM 757 CD PRO A 52 3.533 -4.454 -4.702 1.00 33.23 C ATOM 0 HA PRO A 52 3.509 -3.717 -1.528 1.00 2.13 H new ATOM 0 HB2 PRO A 52 3.676 -6.441 -2.044 1.00 53.11 H new ATOM 0 HB3 PRO A 52 2.207 -5.552 -2.396 1.00 53.11 H new ATOM 0 HG2 PRO A 52 4.424 -6.362 -4.267 1.00 45.01 H new ATOM 0 HG3 PRO A 52 2.691 -6.425 -4.521 1.00 45.01 H new ATOM 0 HD2 PRO A 52 4.214 -4.415 -5.552 1.00 33.23 H new ATOM 0 HD3 PRO A 52 2.552 -4.147 -5.065 1.00 33.23 H new ATOM 765 N ASP A 53 5.538 -4.631 -0.474 1.00 10.40 N ATOM 766 CA ASP A 53 6.832 -4.889 0.147 1.00 11.52 C ATOM 767 C ASP A 53 7.407 -6.220 -0.327 1.00 52.41 C ATOM 768 O ASP A 53 8.622 -6.378 -0.437 1.00 45.14 O ATOM 769 CB ASP A 53 6.699 -4.890 1.671 1.00 72.31 C ATOM 770 CG ASP A 53 7.841 -4.164 2.353 1.00 42.53 C ATOM 771 OD1 ASP A 53 8.995 -4.626 2.232 1.00 22.14 O ATOM 772 OD2 ASP A 53 7.582 -3.132 3.006 1.00 54.40 O ATOM 0 H ASP A 53 4.772 -4.498 0.187 1.00 10.40 H new ATOM 0 HA ASP A 53 7.515 -4.093 -0.150 1.00 11.52 H new ATOM 0 HB2 ASP A 53 5.756 -4.421 1.951 1.00 72.31 H new ATOM 0 HB3 ASP A 53 6.662 -5.919 2.029 1.00 72.31 H new ATOM 777 N SER A 54 6.524 -7.174 -0.605 1.00 44.13 N ATOM 778 CA SER A 54 6.944 -8.493 -1.063 1.00 63.31 C ATOM 779 C SER A 54 7.923 -8.378 -2.228 1.00 31.11 C ATOM 780 O SER A 54 8.782 -9.239 -2.419 1.00 43.42 O ATOM 781 CB SER A 54 5.728 -9.321 -1.484 1.00 25.24 C ATOM 782 OG SER A 54 5.566 -10.451 -0.644 1.00 60.32 O ATOM 0 H SER A 54 5.514 -7.058 -0.521 1.00 44.13 H new ATOM 0 HA SER A 54 7.448 -8.994 -0.236 1.00 63.31 H new ATOM 0 HB2 SER A 54 4.831 -8.703 -1.444 1.00 25.24 H new ATOM 0 HB3 SER A 54 5.845 -9.646 -2.518 1.00 25.24 H new ATOM 0 HG SER A 54 4.782 -10.963 -0.932 1.00 60.32 H new ATOM 788 N VAL A 55 7.786 -7.308 -3.004 1.00 53.13 N ATOM 789 CA VAL A 55 8.657 -7.078 -4.150 1.00 44.12 C ATOM 790 C VAL A 55 9.362 -5.730 -4.043 1.00 23.53 C ATOM 791 O VAL A 55 8.901 -4.717 -4.568 1.00 1.12 O ATOM 792 CB VAL A 55 7.870 -7.129 -5.473 1.00 64.12 C ATOM 793 CG1 VAL A 55 8.768 -6.758 -6.644 1.00 24.05 C ATOM 794 CG2 VAL A 55 7.259 -8.507 -5.676 1.00 32.21 C ATOM 0 H VAL A 55 7.080 -6.586 -2.860 1.00 53.13 H new ATOM 0 HA VAL A 55 9.400 -7.875 -4.147 1.00 44.12 H new ATOM 0 HB VAL A 55 7.060 -6.401 -5.422 1.00 64.12 H new ATOM 0 HG11 VAL A 55 8.194 -6.800 -7.570 1.00 24.05 H new ATOM 0 HG12 VAL A 55 9.154 -5.749 -6.501 1.00 24.05 H new ATOM 0 HG13 VAL A 55 9.600 -7.460 -6.701 1.00 24.05 H new ATOM 0 HG21 VAL A 55 6.707 -8.525 -6.615 1.00 32.21 H new ATOM 0 HG22 VAL A 55 8.051 -9.255 -5.706 1.00 32.21 H new ATOM 0 HG23 VAL A 55 6.581 -8.729 -4.852 1.00 32.21 H new ATOM 804 N PRO A 56 10.509 -5.716 -3.346 1.00 74.33 N ATOM 805 CA PRO A 56 11.303 -4.499 -3.154 1.00 61.51 C ATOM 806 C PRO A 56 11.967 -4.031 -4.444 1.00 41.14 C ATOM 807 O PRO A 56 12.637 -4.807 -5.126 1.00 21.41 O ATOM 808 CB PRO A 56 12.361 -4.924 -2.132 1.00 74.11 C ATOM 809 CG PRO A 56 12.486 -6.398 -2.307 1.00 30.21 C ATOM 810 CD PRO A 56 11.117 -6.887 -2.693 1.00 65.32 C ATOM 0 HA PRO A 56 10.689 -3.659 -2.829 1.00 61.51 H new ATOM 0 HB2 PRO A 56 13.311 -4.422 -2.314 1.00 74.11 H new ATOM 0 HB3 PRO A 56 12.055 -4.670 -1.117 1.00 74.11 H new ATOM 0 HG2 PRO A 56 13.218 -6.639 -3.078 1.00 30.21 H new ATOM 0 HG3 PRO A 56 12.825 -6.873 -1.386 1.00 30.21 H new ATOM 0 HD2 PRO A 56 11.171 -7.741 -3.368 1.00 65.32 H new ATOM 0 HD3 PRO A 56 10.543 -7.205 -1.822 1.00 65.32 H new ATOM 818 N ILE A 57 11.777 -2.758 -4.773 1.00 42.34 N ATOM 819 CA ILE A 57 12.360 -2.186 -5.981 1.00 74.44 C ATOM 820 C ILE A 57 13.869 -2.397 -6.017 1.00 24.25 C ATOM 821 O ILE A 57 14.449 -2.967 -5.091 1.00 54.24 O ATOM 822 CB ILE A 57 12.060 -0.680 -6.092 1.00 42.25 C ATOM 823 CG1 ILE A 57 12.439 0.035 -4.794 1.00 24.12 C ATOM 824 CG2 ILE A 57 10.591 -0.454 -6.418 1.00 63.31 C ATOM 825 CD1 ILE A 57 13.921 0.312 -4.667 1.00 40.00 C ATOM 0 H ILE A 57 11.224 -2.103 -4.220 1.00 42.34 H new ATOM 0 HA ILE A 57 11.904 -2.702 -6.826 1.00 74.44 H new ATOM 0 HB ILE A 57 12.659 -0.265 -6.902 1.00 42.25 H new ATOM 0 HG12 ILE A 57 11.895 0.978 -4.736 1.00 24.12 H new ATOM 0 HG13 ILE A 57 12.117 -0.571 -3.947 1.00 24.12 H new ATOM 0 HG21 ILE A 57 10.395 0.616 -6.493 1.00 63.31 H new ATOM 0 HG22 ILE A 57 10.351 -0.934 -7.367 1.00 63.31 H new ATOM 0 HG23 ILE A 57 9.973 -0.881 -5.628 1.00 63.31 H new ATOM 0 HD11 ILE A 57 14.116 0.821 -3.723 1.00 40.00 H new ATOM 0 HD12 ILE A 57 14.471 -0.629 -4.693 1.00 40.00 H new ATOM 0 HD13 ILE A 57 14.245 0.944 -5.494 1.00 40.00 H new ATOM 837 N ARG A 58 14.501 -1.932 -7.089 1.00 64.43 N ATOM 838 CA ARG A 58 15.945 -2.069 -7.245 1.00 35.41 C ATOM 839 C ARG A 58 16.685 -1.238 -6.202 1.00 2.23 C ATOM 840 O ARG A 58 16.584 -0.011 -6.184 1.00 40.14 O ATOM 841 CB ARG A 58 16.370 -1.641 -8.650 1.00 43.24 C ATOM 842 CG ARG A 58 17.383 -2.575 -9.291 1.00 61.44 C ATOM 843 CD ARG A 58 18.768 -2.393 -8.690 1.00 32.31 C ATOM 844 NE ARG A 58 19.791 -3.114 -9.443 1.00 33.33 N ATOM 845 CZ ARG A 58 21.061 -3.196 -9.064 1.00 3.12 C ATOM 846 NH1 ARG A 58 21.463 -2.605 -7.947 1.00 52.52 N ATOM 847 NH2 ARG A 58 21.933 -3.871 -9.802 1.00 41.44 N ATOM 0 H ARG A 58 14.036 -1.457 -7.863 1.00 64.43 H new ATOM 0 HA ARG A 58 16.204 -3.118 -7.099 1.00 35.41 H new ATOM 0 HB2 ARG A 58 15.487 -1.585 -9.286 1.00 43.24 H new ATOM 0 HB3 ARG A 58 16.793 -0.637 -8.603 1.00 43.24 H new ATOM 0 HG2 ARG A 58 17.061 -3.608 -9.159 1.00 61.44 H new ATOM 0 HG3 ARG A 58 17.424 -2.388 -10.364 1.00 61.44 H new ATOM 0 HD2 ARG A 58 19.016 -1.332 -8.666 1.00 32.31 H new ATOM 0 HD3 ARG A 58 18.764 -2.743 -7.658 1.00 32.31 H new ATOM 0 HE ARG A 58 19.515 -3.580 -10.307 1.00 33.33 H new ATOM 0 HH11 ARG A 58 20.796 -2.086 -7.376 1.00 52.52 H new ATOM 0 HH12 ARG A 58 22.439 -2.670 -7.659 1.00 52.52 H new ATOM 0 HH21 ARG A 58 21.628 -4.328 -10.662 1.00 41.44 H new ATOM 0 HH22 ARG A 58 22.908 -3.933 -9.510 1.00 41.44 H new ATOM 861 N VAL A 59 17.430 -1.914 -5.333 1.00 34.33 N ATOM 862 CA VAL A 59 18.188 -1.239 -4.287 1.00 12.44 C ATOM 863 C VAL A 59 19.610 -0.938 -4.746 1.00 22.34 C ATOM 864 O VAL A 59 20.147 -1.582 -5.647 1.00 23.51 O ATOM 865 CB VAL A 59 18.243 -2.082 -2.999 1.00 72.32 C ATOM 866 CG1 VAL A 59 16.880 -2.116 -2.324 1.00 61.22 C ATOM 867 CG2 VAL A 59 18.730 -3.490 -3.306 1.00 22.31 C ATOM 0 H VAL A 59 17.525 -2.930 -5.333 1.00 34.33 H new ATOM 0 HA VAL A 59 17.671 -0.303 -4.077 1.00 12.44 H new ATOM 0 HB VAL A 59 18.950 -1.618 -2.311 1.00 72.32 H new ATOM 0 HG11 VAL A 59 16.939 -2.716 -1.416 1.00 61.22 H new ATOM 0 HG12 VAL A 59 16.575 -1.101 -2.069 1.00 61.22 H new ATOM 0 HG13 VAL A 59 16.149 -2.555 -3.003 1.00 61.22 H new ATOM 0 HG21 VAL A 59 18.763 -4.072 -2.385 1.00 22.31 H new ATOM 0 HG22 VAL A 59 18.048 -3.965 -4.012 1.00 22.31 H new ATOM 0 HG23 VAL A 59 19.728 -3.443 -3.742 1.00 22.31 H new ATOM 877 N PRO A 60 20.237 0.064 -4.112 1.00 24.44 N ATOM 878 CA PRO A 60 21.607 0.472 -4.437 1.00 61.02 C ATOM 879 C PRO A 60 22.638 -0.570 -4.017 1.00 41.00 C ATOM 880 O PRO A 60 22.962 -0.696 -2.837 1.00 32.31 O ATOM 881 CB PRO A 60 21.793 1.762 -3.635 1.00 11.14 C ATOM 882 CG PRO A 60 20.838 1.642 -2.498 1.00 35.22 C ATOM 883 CD PRO A 60 19.658 0.875 -3.028 1.00 31.53 C ATOM 0 HA PRO A 60 21.751 0.597 -5.510 1.00 61.02 H new ATOM 0 HB2 PRO A 60 22.819 1.864 -3.281 1.00 11.14 H new ATOM 0 HB3 PRO A 60 21.577 2.641 -4.243 1.00 11.14 H new ATOM 0 HG2 PRO A 60 21.296 1.121 -1.657 1.00 35.22 H new ATOM 0 HG3 PRO A 60 20.535 2.625 -2.138 1.00 35.22 H new ATOM 0 HD2 PRO A 60 19.205 0.251 -2.257 1.00 31.53 H new ATOM 0 HD3 PRO A 60 18.879 1.541 -3.397 1.00 31.53 H new ATOM 891 N GLY A 61 23.151 -1.315 -4.992 1.00 4.24 N ATOM 892 CA GLY A 61 24.141 -2.336 -4.702 1.00 31.10 C ATOM 893 C GLY A 61 24.512 -3.148 -5.927 1.00 74.20 C ATOM 894 O GLY A 61 24.339 -2.694 -7.058 1.00 73.13 O ATOM 0 H GLY A 61 22.899 -1.230 -5.977 1.00 4.24 H new ATOM 0 HA2 GLY A 61 25.037 -1.865 -4.297 1.00 31.10 H new ATOM 0 HA3 GLY A 61 23.756 -3.003 -3.931 1.00 31.10 H new ATOM 898 N LYS A 62 25.025 -4.353 -5.703 1.00 73.21 N ATOM 899 CA LYS A 62 25.422 -5.232 -6.797 1.00 11.40 C ATOM 900 C LYS A 62 24.276 -6.156 -7.196 1.00 41.10 C ATOM 901 O LYS A 62 23.299 -6.304 -6.461 1.00 4.12 O ATOM 902 CB LYS A 62 26.644 -6.061 -6.395 1.00 13.34 C ATOM 903 CG LYS A 62 27.825 -5.900 -7.336 1.00 53.10 C ATOM 904 CD LYS A 62 28.484 -4.540 -7.177 1.00 15.11 C ATOM 905 CE LYS A 62 29.303 -4.171 -8.404 1.00 5.24 C ATOM 906 NZ LYS A 62 28.439 -3.850 -9.573 1.00 12.23 N ATOM 0 H LYS A 62 25.176 -4.744 -4.773 1.00 73.21 H new ATOM 0 HA LYS A 62 25.679 -4.610 -7.654 1.00 11.40 H new ATOM 0 HB2 LYS A 62 26.951 -5.776 -5.389 1.00 13.34 H new ATOM 0 HB3 LYS A 62 26.362 -7.113 -6.356 1.00 13.34 H new ATOM 0 HG2 LYS A 62 28.556 -6.685 -7.141 1.00 53.10 H new ATOM 0 HG3 LYS A 62 27.490 -6.025 -8.366 1.00 53.10 H new ATOM 0 HD2 LYS A 62 27.720 -3.782 -7.007 1.00 15.11 H new ATOM 0 HD3 LYS A 62 29.128 -4.547 -6.297 1.00 15.11 H new ATOM 0 HE2 LYS A 62 29.935 -3.314 -8.174 1.00 5.24 H new ATOM 0 HE3 LYS A 62 29.967 -4.997 -8.659 1.00 5.24 H new ATOM 0 HZ1 LYS A 62 28.996 -3.336 -10.285 1.00 12.23 H new ATOM 0 HZ2 LYS A 62 28.075 -4.731 -9.988 1.00 12.23 H new ATOM 0 HZ3 LYS A 62 27.642 -3.258 -9.263 1.00 12.23 H new ATOM 920 N CYS A 63 24.402 -6.777 -8.364 1.00 23.11 N ATOM 921 CA CYS A 63 23.378 -7.688 -8.861 1.00 24.24 C ATOM 922 C CYS A 63 23.857 -9.135 -8.789 1.00 32.40 C ATOM 923 O CYS A 63 25.034 -9.421 -9.007 1.00 32.31 O ATOM 924 CB CYS A 63 23.006 -7.333 -10.302 1.00 31.44 C ATOM 925 SG CYS A 63 21.856 -8.510 -11.083 1.00 52.05 S ATOM 0 H CYS A 63 25.204 -6.666 -8.984 1.00 23.11 H new ATOM 0 HA CYS A 63 22.496 -7.584 -8.229 1.00 24.24 H new ATOM 0 HB2 CYS A 63 22.558 -6.340 -10.316 1.00 31.44 H new ATOM 0 HB3 CYS A 63 23.917 -7.280 -10.899 1.00 31.44 H new ATOM 930 N GLN A 64 22.935 -10.043 -8.482 1.00 45.04 N ATOM 931 CA GLN A 64 23.264 -11.460 -8.382 1.00 34.13 C ATOM 932 C GLN A 64 22.166 -12.318 -9.001 1.00 73.44 C ATOM 933 O GLN A 64 21.165 -11.801 -9.499 1.00 30.01 O ATOM 934 CB GLN A 64 23.471 -11.855 -6.918 1.00 52.53 C ATOM 935 CG GLN A 64 24.731 -12.671 -6.681 1.00 0.22 C ATOM 936 CD GLN A 64 25.082 -12.788 -5.211 1.00 3.43 C ATOM 937 OE1 GLN A 64 25.472 -11.808 -4.574 1.00 63.41 O ATOM 938 NE2 GLN A 64 24.945 -13.989 -4.663 1.00 24.42 N ATOM 0 H GLN A 64 21.956 -9.823 -8.299 1.00 45.04 H new ATOM 0 HA GLN A 64 24.189 -11.632 -8.932 1.00 34.13 H new ATOM 0 HB2 GLN A 64 23.513 -10.952 -6.309 1.00 52.53 H new ATOM 0 HB3 GLN A 64 22.608 -12.428 -6.579 1.00 52.53 H new ATOM 0 HG2 GLN A 64 24.597 -13.669 -7.099 1.00 0.22 H new ATOM 0 HG3 GLN A 64 25.563 -12.211 -7.214 1.00 0.22 H new ATOM 0 HE21 GLN A 64 24.619 -14.773 -5.228 1.00 24.42 H new ATOM 0 HE22 GLN A 64 25.166 -14.128 -3.677 1.00 24.42 H new TER 947 GLN A 64