USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 577 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 3 THR OG1 : rot -36:sc= 0.248 USER MOD Single : A 16 GLN : amide:sc= -0.0653 X(o=-0.065,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.584 K(o=-0.58,f=-1.7!) USER MOD Single : A 23 TYR OH : rot -62:sc= -1.27 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -52:sc= 0.86 USER MOD Single : A 47 GLN : amide:sc=-0.00443 K(o=-0.0044,f=-0.61) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 74 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 7.784 -4.209 -3.176 1.00 31.22 N ATOM 26 CA THR A 3 9.233 -4.360 -3.192 1.00 64.42 C ATOM 27 C THR A 3 9.742 -4.931 -1.873 1.00 54.30 C ATOM 28 O THR A 3 9.160 -4.686 -0.815 1.00 62.24 O ATOM 29 CB THR A 3 9.935 -3.016 -3.462 1.00 24.05 C ATOM 30 OG1 THR A 3 9.375 -1.995 -2.628 1.00 71.15 O ATOM 31 CG2 THR A 3 9.798 -2.617 -4.923 1.00 61.21 C ATOM 0 HA THR A 3 9.469 -5.053 -3.999 1.00 64.42 H new ATOM 0 HB THR A 3 10.994 -3.132 -3.232 1.00 24.05 H new ATOM 0 HG1 THR A 3 8.413 -2.150 -2.523 1.00 71.15 H new ATOM 0 HG21 THR A 3 10.302 -1.665 -5.089 1.00 61.21 H new ATOM 0 HG22 THR A 3 10.252 -3.382 -5.553 1.00 61.21 H new ATOM 0 HG23 THR A 3 8.742 -2.518 -5.176 1.00 61.21 H new ATOM 39 N ILE A 4 10.829 -5.691 -1.942 1.00 43.34 N ATOM 40 CA ILE A 4 11.416 -6.294 -0.752 1.00 43.04 C ATOM 41 C ILE A 4 11.644 -5.252 0.337 1.00 10.41 C ATOM 42 O ILE A 4 11.474 -5.532 1.524 1.00 42.32 O ATOM 43 CB ILE A 4 12.754 -6.985 -1.073 1.00 65.44 C ATOM 44 CG1 ILE A 4 12.546 -8.093 -2.108 1.00 71.01 C ATOM 45 CG2 ILE A 4 13.377 -7.549 0.195 1.00 3.33 C ATOM 46 CD1 ILE A 4 11.542 -9.140 -1.678 1.00 64.15 C ATOM 0 H ILE A 4 11.321 -5.904 -2.810 1.00 43.34 H new ATOM 0 HA ILE A 4 10.707 -7.041 -0.394 1.00 43.04 H new ATOM 0 HB ILE A 4 13.436 -6.245 -1.492 1.00 65.44 H new ATOM 0 HG12 ILE A 4 12.214 -7.646 -3.045 1.00 71.01 H new ATOM 0 HG13 ILE A 4 13.502 -8.578 -2.307 1.00 71.01 H new ATOM 0 HG21 ILE A 4 14.322 -8.034 -0.049 1.00 3.33 H new ATOM 0 HG22 ILE A 4 13.556 -6.740 0.903 1.00 3.33 H new ATOM 0 HG23 ILE A 4 12.699 -8.277 0.640 1.00 3.33 H new ATOM 0 HD11 ILE A 4 11.445 -9.894 -2.459 1.00 64.15 H new ATOM 0 HD12 ILE A 4 11.882 -9.614 -0.757 1.00 64.15 H new ATOM 0 HD13 ILE A 4 10.575 -8.668 -1.507 1.00 64.15 H new ATOM 58 N ASP A 5 12.028 -4.048 -0.074 1.00 74.14 N ATOM 59 CA ASP A 5 12.276 -2.962 0.866 1.00 12.32 C ATOM 60 C ASP A 5 11.080 -2.760 1.791 1.00 54.50 C ATOM 61 O ASP A 5 11.233 -2.337 2.937 1.00 32.01 O ATOM 62 CB ASP A 5 12.579 -1.666 0.113 1.00 55.52 C ATOM 63 CG ASP A 5 13.803 -1.784 -0.774 1.00 13.42 C ATOM 64 OD1 ASP A 5 14.912 -1.973 -0.232 1.00 1.10 O ATOM 65 OD2 ASP A 5 13.651 -1.688 -2.009 1.00 43.44 O ATOM 0 H ASP A 5 12.174 -3.800 -1.053 1.00 74.14 H new ATOM 0 HA ASP A 5 13.141 -3.231 1.473 1.00 12.32 H new ATOM 0 HB2 ASP A 5 11.717 -1.393 -0.496 1.00 55.52 H new ATOM 0 HB3 ASP A 5 12.730 -0.859 0.830 1.00 55.52 H new ATOM 70 N ASP A 6 9.889 -3.063 1.285 1.00 44.10 N ATOM 71 CA ASP A 6 8.666 -2.915 2.065 1.00 4.44 C ATOM 72 C ASP A 6 8.691 -3.822 3.292 1.00 40.32 C ATOM 73 O ASP A 6 8.140 -3.482 4.338 1.00 5.35 O ATOM 74 CB ASP A 6 7.444 -3.235 1.204 1.00 41.45 C ATOM 75 CG ASP A 6 6.240 -2.390 1.571 1.00 74.41 C ATOM 76 OD1 ASP A 6 6.379 -1.151 1.624 1.00 55.41 O ATOM 77 OD2 ASP A 6 5.158 -2.969 1.806 1.00 23.53 O ATOM 0 H ASP A 6 9.745 -3.413 0.338 1.00 44.10 H new ATOM 0 HA ASP A 6 8.602 -1.880 2.401 1.00 4.44 H new ATOM 0 HB2 ASP A 6 7.691 -3.074 0.154 1.00 41.45 H new ATOM 0 HB3 ASP A 6 7.191 -4.290 1.314 1.00 41.45 H new ATOM 82 N ALA A 7 9.332 -4.978 3.154 1.00 43.52 N ATOM 83 CA ALA A 7 9.429 -5.933 4.250 1.00 3.13 C ATOM 84 C ALA A 7 10.301 -5.389 5.377 1.00 40.20 C ATOM 85 O ALA A 7 9.883 -5.347 6.534 1.00 13.22 O ATOM 86 CB ALA A 7 9.980 -7.259 3.748 1.00 62.14 C ATOM 0 H ALA A 7 9.792 -5.275 2.293 1.00 43.52 H new ATOM 0 HA ALA A 7 8.427 -6.095 4.647 1.00 3.13 H new ATOM 0 HB1 ALA A 7 10.047 -7.963 4.578 1.00 62.14 H new ATOM 0 HB2 ALA A 7 9.317 -7.662 2.983 1.00 62.14 H new ATOM 0 HB3 ALA A 7 10.972 -7.103 3.323 1.00 62.14 H new ATOM 92 N PHE A 8 11.515 -4.974 5.032 1.00 42.54 N ATOM 93 CA PHE A 8 12.447 -4.433 6.015 1.00 71.42 C ATOM 94 C PHE A 8 11.843 -3.230 6.733 1.00 33.52 C ATOM 95 O PHE A 8 11.988 -3.081 7.947 1.00 62.25 O ATOM 96 CB PHE A 8 13.759 -4.031 5.338 1.00 21.53 C ATOM 97 CG PHE A 8 14.316 -5.092 4.432 1.00 53.01 C ATOM 98 CD1 PHE A 8 14.245 -6.430 4.784 1.00 34.23 C ATOM 99 CD2 PHE A 8 14.909 -4.751 3.227 1.00 5.14 C ATOM 100 CE1 PHE A 8 14.757 -7.408 3.952 1.00 13.24 C ATOM 101 CE2 PHE A 8 15.423 -5.724 2.391 1.00 30.32 C ATOM 102 CZ PHE A 8 15.346 -7.055 2.754 1.00 55.31 C ATOM 0 H PHE A 8 11.877 -5.002 4.079 1.00 42.54 H new ATOM 0 HA PHE A 8 12.650 -5.210 6.752 1.00 71.42 H new ATOM 0 HB2 PHE A 8 13.597 -3.120 4.761 1.00 21.53 H new ATOM 0 HB3 PHE A 8 14.497 -3.795 6.105 1.00 21.53 H new ATOM 0 HD1 PHE A 8 13.784 -6.712 5.719 1.00 34.23 H new ATOM 0 HD2 PHE A 8 14.970 -3.712 2.938 1.00 5.14 H new ATOM 0 HE1 PHE A 8 14.696 -8.447 4.239 1.00 13.24 H new ATOM 0 HE2 PHE A 8 15.884 -5.444 1.455 1.00 30.32 H new ATOM 0 HZ PHE A 8 15.746 -7.818 2.102 1.00 55.31 H new ATOM 112 N ARG A 9 11.165 -2.375 5.975 1.00 72.12 N ATOM 113 CA ARG A 9 10.540 -1.184 6.538 1.00 71.23 C ATOM 114 C ARG A 9 9.549 -1.558 7.636 1.00 1.14 C ATOM 115 O ARG A 9 9.380 -0.824 8.609 1.00 11.42 O ATOM 116 CB ARG A 9 9.827 -0.390 5.442 1.00 71.03 C ATOM 117 CG ARG A 9 10.766 0.439 4.581 1.00 24.20 C ATOM 118 CD ARG A 9 10.005 1.230 3.529 1.00 45.12 C ATOM 119 NE ARG A 9 9.648 2.565 4.000 1.00 3.43 N ATOM 120 CZ ARG A 9 9.163 3.518 3.212 1.00 60.24 C ATOM 121 NH1 ARG A 9 8.978 3.283 1.920 1.00 54.00 N ATOM 122 NH2 ARG A 9 8.862 4.708 3.715 1.00 74.01 N ATOM 0 H ARG A 9 11.034 -2.485 4.969 1.00 72.12 H new ATOM 0 HA ARG A 9 11.324 -0.565 6.975 1.00 71.23 H new ATOM 0 HB2 ARG A 9 9.278 -1.082 4.803 1.00 71.03 H new ATOM 0 HB3 ARG A 9 9.092 0.270 5.903 1.00 71.03 H new ATOM 0 HG2 ARG A 9 11.332 1.123 5.213 1.00 24.20 H new ATOM 0 HG3 ARG A 9 11.488 -0.216 4.093 1.00 24.20 H new ATOM 0 HD2 ARG A 9 10.613 1.314 2.628 1.00 45.12 H new ATOM 0 HD3 ARG A 9 9.100 0.689 3.253 1.00 45.12 H new ATOM 0 HE ARG A 9 9.778 2.778 4.989 1.00 3.43 H new ATOM 0 HH11 ARG A 9 9.208 2.369 1.530 1.00 54.00 H new ATOM 0 HH12 ARG A 9 8.605 4.016 1.317 1.00 54.00 H new ATOM 0 HH21 ARG A 9 9.003 4.892 4.708 1.00 74.01 H new ATOM 0 HH22 ARG A 9 8.490 5.439 3.108 1.00 74.01 H new ATOM 136 N ALA A 10 8.897 -2.704 7.473 1.00 73.11 N ATOM 137 CA ALA A 10 7.924 -3.176 8.451 1.00 43.12 C ATOM 138 C ALA A 10 8.617 -3.729 9.691 1.00 23.23 C ATOM 139 O ALA A 10 8.159 -3.521 10.815 1.00 55.01 O ATOM 140 CB ALA A 10 7.023 -4.234 7.831 1.00 2.32 C ATOM 0 H ALA A 10 9.025 -3.323 6.673 1.00 73.11 H new ATOM 0 HA ALA A 10 7.312 -2.328 8.757 1.00 43.12 H new ATOM 0 HB1 ALA A 10 6.302 -4.577 8.572 1.00 2.32 H new ATOM 0 HB2 ALA A 10 6.493 -3.807 6.980 1.00 2.32 H new ATOM 0 HB3 ALA A 10 7.628 -5.077 7.496 1.00 2.32 H new ATOM 146 N ILE A 11 9.723 -4.435 9.480 1.00 21.02 N ATOM 147 CA ILE A 11 10.479 -5.018 10.582 1.00 51.30 C ATOM 148 C ILE A 11 10.782 -3.975 11.652 1.00 4.05 C ATOM 149 O ILE A 11 10.546 -4.202 12.838 1.00 31.34 O ATOM 150 CB ILE A 11 11.802 -5.635 10.093 1.00 43.14 C ATOM 151 CG1 ILE A 11 11.526 -6.772 9.106 1.00 3.44 C ATOM 152 CG2 ILE A 11 12.621 -6.137 11.273 1.00 72.14 C ATOM 153 CD1 ILE A 11 12.780 -7.448 8.598 1.00 70.22 C ATOM 0 H ILE A 11 10.115 -4.617 8.556 1.00 21.02 H new ATOM 0 HA ILE A 11 9.858 -5.805 11.010 1.00 51.30 H new ATOM 0 HB ILE A 11 12.377 -4.865 9.579 1.00 43.14 H new ATOM 0 HG12 ILE A 11 10.892 -7.516 9.589 1.00 3.44 H new ATOM 0 HG13 ILE A 11 10.966 -6.378 8.258 1.00 3.44 H new ATOM 0 HG21 ILE A 11 13.553 -6.570 10.911 1.00 72.14 H new ATOM 0 HG22 ILE A 11 12.843 -5.305 11.942 1.00 72.14 H new ATOM 0 HG23 ILE A 11 12.054 -6.895 11.813 1.00 72.14 H new ATOM 0 HD11 ILE A 11 12.509 -8.243 7.903 1.00 70.22 H new ATOM 0 HD12 ILE A 11 13.406 -6.717 8.086 1.00 70.22 H new ATOM 0 HD13 ILE A 11 13.331 -7.872 9.438 1.00 70.22 H new ATOM 165 N GLU A 12 11.306 -2.830 11.224 1.00 21.45 N ATOM 166 CA GLU A 12 11.641 -1.752 12.147 1.00 32.12 C ATOM 167 C GLU A 12 10.454 -1.416 13.045 1.00 33.44 C ATOM 168 O GLU A 12 10.620 -1.128 14.231 1.00 45.05 O ATOM 169 CB GLU A 12 12.077 -0.506 11.374 1.00 64.23 C ATOM 170 CG GLU A 12 12.361 0.693 12.262 1.00 3.40 C ATOM 171 CD GLU A 12 13.076 1.809 11.525 1.00 42.12 C ATOM 172 OE1 GLU A 12 12.510 2.328 10.540 1.00 4.32 O ATOM 173 OE2 GLU A 12 14.202 2.163 11.933 1.00 1.14 O ATOM 0 H GLU A 12 11.507 -2.626 10.245 1.00 21.45 H new ATOM 0 HA GLU A 12 12.466 -2.089 12.775 1.00 32.12 H new ATOM 0 HB2 GLU A 12 12.972 -0.741 10.798 1.00 64.23 H new ATOM 0 HB3 GLU A 12 11.298 -0.241 10.659 1.00 64.23 H new ATOM 0 HG2 GLU A 12 11.422 1.072 12.665 1.00 3.40 H new ATOM 0 HG3 GLU A 12 12.967 0.376 13.111 1.00 3.40 H new ATOM 180 N ARG A 13 9.255 -1.456 12.472 1.00 45.13 N ATOM 181 CA ARG A 13 8.040 -1.154 13.219 1.00 64.41 C ATOM 182 C ARG A 13 7.662 -2.316 14.133 1.00 2.13 C ATOM 183 O ARG A 13 7.047 -2.119 15.181 1.00 72.33 O ATOM 184 CB ARG A 13 6.888 -0.851 12.259 1.00 3.34 C ATOM 185 CG ARG A 13 6.144 0.433 12.588 1.00 1.12 C ATOM 186 CD ARG A 13 6.721 1.620 11.833 1.00 1.53 C ATOM 187 NE ARG A 13 5.693 2.358 11.105 1.00 55.12 N ATOM 188 CZ ARG A 13 5.959 3.336 10.246 1.00 14.12 C ATOM 189 NH1 ARG A 13 7.214 3.692 10.010 1.00 73.14 N ATOM 190 NH2 ARG A 13 4.968 3.960 9.622 1.00 50.23 N ATOM 0 H ARG A 13 9.099 -1.695 11.493 1.00 45.13 H new ATOM 0 HA ARG A 13 8.231 -0.276 13.836 1.00 64.41 H new ATOM 0 HB2 ARG A 13 7.280 -0.784 11.244 1.00 3.34 H new ATOM 0 HB3 ARG A 13 6.184 -1.683 12.275 1.00 3.34 H new ATOM 0 HG2 ARG A 13 5.090 0.318 12.337 1.00 1.12 H new ATOM 0 HG3 ARG A 13 6.198 0.621 13.660 1.00 1.12 H new ATOM 0 HD2 ARG A 13 7.219 2.289 12.535 1.00 1.53 H new ATOM 0 HD3 ARG A 13 7.480 1.270 11.133 1.00 1.53 H new ATOM 0 HE ARG A 13 4.717 2.109 11.265 1.00 55.12 H new ATOM 0 HH11 ARG A 13 7.978 3.215 10.488 1.00 73.14 H new ATOM 0 HH12 ARG A 13 7.416 4.443 9.350 1.00 73.14 H new ATOM 0 HH21 ARG A 13 4.001 3.689 9.802 1.00 50.23 H new ATOM 0 HH22 ARG A 13 5.173 4.711 8.963 1.00 50.23 H new ATOM 204 N ALA A 14 8.035 -3.526 13.729 1.00 15.01 N ATOM 205 CA ALA A 14 7.736 -4.718 14.512 1.00 31.53 C ATOM 206 C ALA A 14 8.518 -4.726 15.821 1.00 0.33 C ATOM 207 O ALA A 14 7.944 -4.901 16.897 1.00 45.12 O ATOM 208 CB ALA A 14 8.043 -5.971 13.705 1.00 41.13 C ATOM 0 H ALA A 14 8.545 -3.706 12.864 1.00 15.01 H new ATOM 0 HA ALA A 14 6.673 -4.706 14.754 1.00 31.53 H new ATOM 0 HB1 ALA A 14 7.815 -6.854 14.303 1.00 41.13 H new ATOM 0 HB2 ALA A 14 7.436 -5.979 12.800 1.00 41.13 H new ATOM 0 HB3 ALA A 14 9.099 -5.979 13.434 1.00 41.13 H new ATOM 214 N ILE A 15 9.829 -4.535 15.723 1.00 63.14 N ATOM 215 CA ILE A 15 10.689 -4.519 16.900 1.00 61.55 C ATOM 216 C ILE A 15 10.281 -3.411 17.864 1.00 34.31 C ATOM 217 O ILE A 15 10.410 -3.555 19.080 1.00 75.15 O ATOM 218 CB ILE A 15 12.168 -4.329 16.514 1.00 70.52 C ATOM 219 CG1 ILE A 15 13.053 -4.378 17.761 1.00 62.02 C ATOM 220 CG2 ILE A 15 12.358 -3.014 15.774 1.00 55.21 C ATOM 221 CD1 ILE A 15 14.092 -5.477 17.722 1.00 44.52 C ATOM 0 H ILE A 15 10.319 -4.389 14.840 1.00 63.14 H new ATOM 0 HA ILE A 15 10.571 -5.485 17.390 1.00 61.55 H new ATOM 0 HB ILE A 15 12.462 -5.142 15.850 1.00 70.52 H new ATOM 0 HG12 ILE A 15 13.556 -3.418 17.878 1.00 62.02 H new ATOM 0 HG13 ILE A 15 12.422 -4.516 18.639 1.00 62.02 H new ATOM 0 HG21 ILE A 15 13.408 -2.895 15.508 1.00 55.21 H new ATOM 0 HG22 ILE A 15 11.752 -3.016 14.868 1.00 55.21 H new ATOM 0 HG23 ILE A 15 12.050 -2.188 16.415 1.00 55.21 H new ATOM 0 HD11 ILE A 15 14.683 -5.452 18.638 1.00 44.52 H new ATOM 0 HD12 ILE A 15 13.596 -6.444 17.637 1.00 44.52 H new ATOM 0 HD13 ILE A 15 14.747 -5.328 16.864 1.00 44.52 H new ATOM 233 N GLN A 16 9.786 -2.307 17.313 1.00 21.44 N ATOM 234 CA GLN A 16 9.357 -1.175 18.126 1.00 63.12 C ATOM 235 C GLN A 16 8.205 -1.569 19.044 1.00 73.05 C ATOM 236 O GLN A 16 7.972 -0.933 20.071 1.00 33.42 O ATOM 237 CB GLN A 16 8.936 -0.008 17.230 1.00 21.55 C ATOM 238 CG GLN A 16 9.886 1.177 17.289 1.00 12.12 C ATOM 239 CD GLN A 16 9.223 2.430 17.827 1.00 73.13 C ATOM 240 OE1 GLN A 16 9.673 3.009 18.815 1.00 2.35 O ATOM 241 NE2 GLN A 16 8.146 2.856 17.177 1.00 71.44 N ATOM 0 H GLN A 16 9.672 -2.173 16.308 1.00 21.44 H new ATOM 0 HA GLN A 16 10.199 -0.864 18.744 1.00 63.12 H new ATOM 0 HB2 GLN A 16 8.868 -0.358 16.200 1.00 21.55 H new ATOM 0 HB3 GLN A 16 7.939 0.322 17.521 1.00 21.55 H new ATOM 0 HG2 GLN A 16 10.739 0.923 17.918 1.00 12.12 H new ATOM 0 HG3 GLN A 16 10.275 1.376 16.290 1.00 12.12 H new ATOM 0 HE21 GLN A 16 7.807 2.345 16.362 1.00 71.44 H new ATOM 0 HE22 GLN A 16 7.658 3.694 17.493 1.00 71.44 H new ATOM 250 N ALA A 17 7.486 -2.621 18.665 1.00 64.10 N ATOM 251 CA ALA A 17 6.359 -3.101 19.455 1.00 41.42 C ATOM 252 C ALA A 17 6.734 -3.226 20.927 1.00 25.34 C ATOM 253 O ALA A 17 6.001 -2.772 21.805 1.00 40.03 O ATOM 254 CB ALA A 17 5.868 -4.437 18.917 1.00 4.24 C ATOM 0 H ALA A 17 7.664 -3.157 17.816 1.00 64.10 H new ATOM 0 HA ALA A 17 5.553 -2.371 19.374 1.00 41.42 H new ATOM 0 HB1 ALA A 17 5.026 -4.783 19.517 1.00 4.24 H new ATOM 0 HB2 ALA A 17 5.551 -4.318 17.881 1.00 4.24 H new ATOM 0 HB3 ALA A 17 6.675 -5.168 18.968 1.00 4.24 H new ATOM 260 N GLU A 18 7.881 -3.846 21.190 1.00 33.25 N ATOM 261 CA GLU A 18 8.351 -4.032 22.558 1.00 64.30 C ATOM 262 C GLU A 18 7.348 -4.843 23.373 1.00 20.12 C ATOM 263 O GLU A 18 6.784 -4.351 24.349 1.00 34.02 O ATOM 264 CB GLU A 18 8.592 -2.677 23.227 1.00 63.41 C ATOM 265 CG GLU A 18 9.612 -1.814 22.504 1.00 63.34 C ATOM 266 CD GLU A 18 9.236 -0.345 22.501 1.00 64.32 C ATOM 267 OE1 GLU A 18 8.433 0.062 23.366 1.00 53.34 O ATOM 268 OE2 GLU A 18 9.745 0.396 21.635 1.00 41.34 O ATOM 0 H GLU A 18 8.501 -4.227 20.475 1.00 33.25 H new ATOM 0 HA GLU A 18 9.291 -4.582 22.520 1.00 64.30 H new ATOM 0 HB2 GLU A 18 7.647 -2.137 23.285 1.00 63.41 H new ATOM 0 HB3 GLU A 18 8.928 -2.841 24.251 1.00 63.41 H new ATOM 0 HG2 GLU A 18 10.586 -1.935 22.978 1.00 63.34 H new ATOM 0 HG3 GLU A 18 9.713 -2.161 21.476 1.00 63.34 H new ATOM 275 N ASN A 19 7.131 -6.089 22.964 1.00 42.11 N ATOM 276 CA ASN A 19 6.195 -6.968 23.655 1.00 62.41 C ATOM 277 C ASN A 19 6.168 -8.350 23.008 1.00 50.22 C ATOM 278 O ASN A 19 6.976 -8.650 22.130 1.00 71.13 O ATOM 279 CB ASN A 19 4.791 -6.361 23.646 1.00 10.00 C ATOM 280 CG ASN A 19 4.032 -6.640 24.929 1.00 3.01 C ATOM 281 OD1 ASN A 19 4.619 -6.699 26.010 1.00 51.11 O ATOM 282 ND2 ASN A 19 2.721 -6.814 24.815 1.00 53.41 N ATOM 0 H ASN A 19 7.591 -6.512 22.158 1.00 42.11 H new ATOM 0 HA ASN A 19 6.530 -7.075 24.687 1.00 62.41 H new ATOM 0 HB2 ASN A 19 4.865 -5.284 23.498 1.00 10.00 H new ATOM 0 HB3 ASN A 19 4.231 -6.761 22.801 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.158 -7.005 25.644 1.00 53.41 H new ATOM 0 HD22 ASN A 19 2.277 -6.756 23.899 1.00 53.41 H new ATOM 289 N GLU A 20 5.233 -9.185 23.448 1.00 35.44 N ATOM 290 CA GLU A 20 5.101 -10.535 22.912 1.00 53.21 C ATOM 291 C GLU A 20 3.640 -10.863 22.618 1.00 33.11 C ATOM 292 O GLU A 20 2.851 -11.108 23.530 1.00 4.54 O ATOM 293 CB GLU A 20 5.677 -11.557 23.894 1.00 12.33 C ATOM 294 CG GLU A 20 5.254 -11.321 25.335 1.00 64.42 C ATOM 295 CD GLU A 20 5.056 -12.614 26.103 1.00 12.50 C ATOM 296 OE1 GLU A 20 6.068 -13.237 26.486 1.00 41.01 O ATOM 297 OE2 GLU A 20 3.889 -13.001 26.321 1.00 22.41 O ATOM 0 H GLU A 20 4.556 -8.951 24.174 1.00 35.44 H new ATOM 0 HA GLU A 20 5.662 -10.584 21.978 1.00 53.21 H new ATOM 0 HB2 GLU A 20 5.364 -12.556 23.591 1.00 12.33 H new ATOM 0 HB3 GLU A 20 6.765 -11.532 23.835 1.00 12.33 H new ATOM 0 HG2 GLU A 20 6.009 -10.716 25.837 1.00 64.42 H new ATOM 0 HG3 GLU A 20 4.326 -10.749 25.349 1.00 64.42 H new ATOM 304 N GLY A 21 3.286 -10.866 21.336 1.00 11.03 N ATOM 305 CA GLY A 21 1.921 -11.164 20.944 1.00 31.42 C ATOM 306 C GLY A 21 1.701 -11.018 19.451 1.00 24.45 C ATOM 307 O GLY A 21 1.369 -11.987 18.769 1.00 73.25 O ATOM 0 H GLY A 21 3.920 -10.667 20.562 1.00 11.03 H new ATOM 0 HA2 GLY A 21 1.673 -12.181 21.247 1.00 31.42 H new ATOM 0 HA3 GLY A 21 1.240 -10.499 21.475 1.00 31.42 H new ATOM 311 N ARG A 22 1.886 -9.804 18.944 1.00 62.12 N ATOM 312 CA ARG A 22 1.703 -9.534 17.523 1.00 63.22 C ATOM 313 C ARG A 22 2.936 -9.953 16.727 1.00 50.22 C ATOM 314 O ARG A 22 2.857 -10.193 15.522 1.00 43.23 O ATOM 315 CB ARG A 22 1.417 -8.048 17.297 1.00 65.42 C ATOM 316 CG ARG A 22 -0.058 -7.693 17.376 1.00 32.22 C ATOM 317 CD ARG A 22 -0.526 -7.574 18.818 1.00 22.43 C ATOM 318 NE ARG A 22 -1.407 -8.675 19.201 1.00 45.14 N ATOM 319 CZ ARG A 22 -1.724 -8.959 20.459 1.00 54.23 C ATOM 320 NH1 ARG A 22 -1.237 -8.227 21.451 1.00 45.44 N ATOM 321 NH2 ARG A 22 -2.532 -9.977 20.727 1.00 53.33 N ATOM 0 H ARG A 22 2.162 -8.992 19.496 1.00 62.12 H new ATOM 0 HA ARG A 22 0.851 -10.118 17.174 1.00 63.22 H new ATOM 0 HB2 ARG A 22 1.963 -7.465 18.039 1.00 65.42 H new ATOM 0 HB3 ARG A 22 1.800 -7.758 16.319 1.00 65.42 H new ATOM 0 HG2 ARG A 22 -0.235 -6.752 16.856 1.00 32.22 H new ATOM 0 HG3 ARG A 22 -0.645 -8.455 16.864 1.00 32.22 H new ATOM 0 HD2 ARG A 22 0.340 -7.556 19.480 1.00 22.43 H new ATOM 0 HD3 ARG A 22 -1.050 -6.627 18.952 1.00 22.43 H new ATOM 0 HE ARG A 22 -1.800 -9.257 18.462 1.00 45.14 H new ATOM 0 HH11 ARG A 22 -0.617 -7.443 21.249 1.00 45.44 H new ATOM 0 HH12 ARG A 22 -1.483 -8.448 22.416 1.00 45.44 H new ATOM 0 HH21 ARG A 22 -2.910 -10.542 19.967 1.00 53.33 H new ATOM 0 HH22 ARG A 22 -2.775 -10.195 21.693 1.00 53.33 H new ATOM 335 N TYR A 23 4.073 -10.038 17.408 1.00 11.24 N ATOM 336 CA TYR A 23 5.323 -10.424 16.765 1.00 72.33 C ATOM 337 C TYR A 23 5.145 -11.706 15.956 1.00 45.43 C ATOM 338 O TYR A 23 5.531 -11.774 14.789 1.00 71.45 O ATOM 339 CB TYR A 23 6.422 -10.617 17.811 1.00 14.33 C ATOM 340 CG TYR A 23 7.151 -9.340 18.165 1.00 34.35 C ATOM 341 CD1 TYR A 23 8.258 -8.924 17.437 1.00 21.31 C ATOM 342 CD2 TYR A 23 6.731 -8.550 19.228 1.00 10.34 C ATOM 343 CE1 TYR A 23 8.928 -7.759 17.758 1.00 75.31 C ATOM 344 CE2 TYR A 23 7.393 -7.382 19.555 1.00 24.34 C ATOM 345 CZ TYR A 23 8.491 -6.992 18.818 1.00 43.34 C ATOM 346 OH TYR A 23 9.155 -5.830 19.139 1.00 15.34 O ATOM 0 H TYR A 23 4.155 -9.845 18.406 1.00 11.24 H new ATOM 0 HA TYR A 23 5.615 -9.623 16.086 1.00 72.33 H new ATOM 0 HB2 TYR A 23 5.982 -11.037 18.715 1.00 14.33 H new ATOM 0 HB3 TYR A 23 7.142 -11.346 17.439 1.00 14.33 H new ATOM 0 HD1 TYR A 23 8.601 -9.522 16.605 1.00 21.31 H new ATOM 0 HD2 TYR A 23 5.873 -8.854 19.809 1.00 10.34 H new ATOM 0 HE1 TYR A 23 9.788 -7.451 17.183 1.00 75.31 H new ATOM 0 HE2 TYR A 23 7.052 -6.778 20.383 1.00 24.34 H new ATOM 0 HH TYR A 23 10.078 -6.040 19.394 1.00 15.34 H new ATOM 356 N ARG A 24 4.559 -12.718 16.585 1.00 33.51 N ATOM 357 CA ARG A 24 4.330 -13.998 15.925 1.00 30.34 C ATOM 358 C ARG A 24 3.614 -13.803 14.592 1.00 12.53 C ATOM 359 O ARG A 24 3.921 -14.474 13.608 1.00 41.31 O ATOM 360 CB ARG A 24 3.508 -14.921 16.827 1.00 24.42 C ATOM 361 CG ARG A 24 2.134 -14.372 17.171 1.00 54.44 C ATOM 362 CD ARG A 24 1.061 -14.945 16.258 1.00 15.13 C ATOM 363 NE ARG A 24 -0.206 -14.228 16.385 1.00 23.52 N ATOM 364 CZ ARG A 24 -1.378 -14.738 16.023 1.00 1.02 C ATOM 365 NH1 ARG A 24 -1.444 -15.961 15.515 1.00 54.30 N ATOM 366 NH2 ARG A 24 -2.487 -14.024 16.170 1.00 63.12 N ATOM 0 H ARG A 24 4.234 -12.677 17.551 1.00 33.51 H new ATOM 0 HA ARG A 24 5.300 -14.457 15.733 1.00 30.34 H new ATOM 0 HB2 ARG A 24 3.391 -15.886 16.334 1.00 24.42 H new ATOM 0 HB3 ARG A 24 4.060 -15.099 17.750 1.00 24.42 H new ATOM 0 HG2 ARG A 24 1.895 -14.609 18.208 1.00 54.44 H new ATOM 0 HG3 ARG A 24 2.143 -13.285 17.086 1.00 54.44 H new ATOM 0 HD2 ARG A 24 1.402 -14.898 15.224 1.00 15.13 H new ATOM 0 HD3 ARG A 24 0.907 -15.998 16.495 1.00 15.13 H new ATOM 0 HE ARG A 24 -0.190 -13.285 16.773 1.00 23.52 H new ATOM 0 HH11 ARG A 24 -0.594 -16.513 15.401 1.00 54.30 H new ATOM 0 HH12 ARG A 24 -2.345 -16.350 15.238 1.00 54.30 H new ATOM 0 HH21 ARG A 24 -2.440 -13.083 16.561 1.00 63.12 H new ATOM 0 HH22 ARG A 24 -3.387 -14.416 15.892 1.00 63.12 H new ATOM 380 N GLU A 25 2.658 -12.879 14.570 1.00 33.10 N ATOM 381 CA GLU A 25 1.897 -12.597 13.358 1.00 4.21 C ATOM 382 C GLU A 25 2.728 -11.779 12.373 1.00 32.01 C ATOM 383 O GLU A 25 2.740 -12.058 11.175 1.00 43.45 O ATOM 384 CB GLU A 25 0.609 -11.847 13.701 1.00 15.11 C ATOM 385 CG GLU A 25 -0.636 -12.717 13.642 1.00 2.21 C ATOM 386 CD GLU A 25 -1.378 -12.585 12.326 1.00 12.35 C ATOM 387 OE1 GLU A 25 -1.019 -13.299 11.368 1.00 60.24 O ATOM 388 OE2 GLU A 25 -2.319 -11.766 12.257 1.00 70.34 O ATOM 0 H GLU A 25 2.392 -12.314 15.376 1.00 33.10 H new ATOM 0 HA GLU A 25 1.641 -13.548 12.890 1.00 4.21 H new ATOM 0 HB2 GLU A 25 0.700 -11.425 14.702 1.00 15.11 H new ATOM 0 HB3 GLU A 25 0.491 -11.011 13.012 1.00 15.11 H new ATOM 0 HG2 GLU A 25 -0.354 -13.759 13.793 1.00 2.21 H new ATOM 0 HG3 GLU A 25 -1.303 -12.446 14.460 1.00 2.21 H new ATOM 395 N ALA A 26 3.420 -10.768 12.888 1.00 32.12 N ATOM 396 CA ALA A 26 4.254 -9.910 12.055 1.00 31.44 C ATOM 397 C ALA A 26 5.206 -10.737 11.197 1.00 54.41 C ATOM 398 O ALA A 26 5.299 -10.535 9.985 1.00 1.24 O ATOM 399 CB ALA A 26 5.035 -8.932 12.921 1.00 73.51 C ATOM 0 H ALA A 26 3.420 -10.523 13.878 1.00 32.12 H new ATOM 0 HA ALA A 26 3.601 -9.347 11.388 1.00 31.44 H new ATOM 0 HB1 ALA A 26 5.654 -8.298 12.286 1.00 73.51 H new ATOM 0 HB2 ALA A 26 4.340 -8.312 13.487 1.00 73.51 H new ATOM 0 HB3 ALA A 26 5.672 -9.485 13.611 1.00 73.51 H new ATOM 405 N LEU A 27 5.911 -11.667 11.831 1.00 11.53 N ATOM 406 CA LEU A 27 6.857 -12.524 11.125 1.00 11.42 C ATOM 407 C LEU A 27 6.161 -13.302 10.013 1.00 44.22 C ATOM 408 O LEU A 27 6.767 -13.618 8.989 1.00 43.13 O ATOM 409 CB LEU A 27 7.524 -13.494 12.102 1.00 54.10 C ATOM 410 CG LEU A 27 8.575 -12.891 13.035 1.00 53.04 C ATOM 411 CD1 LEU A 27 9.176 -13.966 13.927 1.00 12.30 C ATOM 412 CD2 LEU A 27 9.662 -12.192 12.232 1.00 62.14 C ATOM 0 H LEU A 27 5.846 -11.847 12.833 1.00 11.53 H new ATOM 0 HA LEU A 27 7.620 -11.889 10.676 1.00 11.42 H new ATOM 0 HB2 LEU A 27 6.747 -13.955 12.712 1.00 54.10 H new ATOM 0 HB3 LEU A 27 7.993 -14.292 11.527 1.00 54.10 H new ATOM 0 HG LEU A 27 8.088 -12.151 13.670 1.00 53.04 H new ATOM 0 HD11 LEU A 27 9.922 -13.519 14.584 1.00 12.30 H new ATOM 0 HD12 LEU A 27 8.389 -14.422 14.528 1.00 12.30 H new ATOM 0 HD13 LEU A 27 9.648 -14.729 13.309 1.00 12.30 H new ATOM 0 HD21 LEU A 27 10.401 -11.769 12.912 1.00 62.14 H new ATOM 0 HD22 LEU A 27 10.146 -12.911 11.572 1.00 62.14 H new ATOM 0 HD23 LEU A 27 9.218 -11.394 11.636 1.00 62.14 H new ATOM 424 N LYS A 28 4.885 -13.606 10.220 1.00 73.12 N ATOM 425 CA LYS A 28 4.104 -14.344 9.234 1.00 60.10 C ATOM 426 C LYS A 28 4.053 -13.593 7.908 1.00 54.35 C ATOM 427 O LYS A 28 3.908 -14.198 6.845 1.00 53.01 O ATOM 428 CB LYS A 28 2.684 -14.583 9.752 1.00 1.34 C ATOM 429 CG LYS A 28 2.205 -16.014 9.578 1.00 42.50 C ATOM 430 CD LYS A 28 1.677 -16.588 10.882 1.00 43.21 C ATOM 431 CE LYS A 28 2.723 -17.447 11.576 1.00 33.41 C ATOM 432 NZ LYS A 28 2.101 -18.454 12.480 1.00 23.51 N ATOM 0 H LYS A 28 4.369 -13.353 11.062 1.00 73.12 H new ATOM 0 HA LYS A 28 4.590 -15.306 9.069 1.00 60.10 H new ATOM 0 HB2 LYS A 28 2.643 -14.321 10.809 1.00 1.34 H new ATOM 0 HB3 LYS A 28 1.999 -13.914 9.231 1.00 1.34 H new ATOM 0 HG2 LYS A 28 1.421 -16.047 8.821 1.00 42.50 H new ATOM 0 HG3 LYS A 28 3.026 -16.632 9.214 1.00 42.50 H new ATOM 0 HD2 LYS A 28 1.375 -15.775 11.543 1.00 43.21 H new ATOM 0 HD3 LYS A 28 0.787 -17.185 10.684 1.00 43.21 H new ATOM 0 HE2 LYS A 28 3.330 -17.956 10.827 1.00 33.41 H new ATOM 0 HE3 LYS A 28 3.395 -16.809 12.150 1.00 33.41 H new ATOM 0 HZ1 LYS A 28 2.846 -19.020 12.934 1.00 23.51 H new ATOM 0 HZ2 LYS A 28 1.542 -17.967 13.210 1.00 23.51 H new ATOM 0 HZ3 LYS A 28 1.480 -19.079 11.928 1.00 23.51 H new ATOM 446 N HIS A 29 4.174 -12.271 7.976 1.00 13.33 N ATOM 447 CA HIS A 29 4.143 -11.437 6.780 1.00 42.02 C ATOM 448 C HIS A 29 5.483 -11.483 6.051 1.00 32.20 C ATOM 449 O HIS A 29 5.532 -11.633 4.830 1.00 51.41 O ATOM 450 CB HIS A 29 3.799 -9.993 7.147 1.00 32.33 C ATOM 451 CG HIS A 29 2.791 -9.367 6.234 1.00 51.24 C ATOM 452 ND1 HIS A 29 3.102 -8.355 5.351 1.00 42.54 N ATOM 453 CD2 HIS A 29 1.471 -9.616 6.068 1.00 12.20 C ATOM 454 CE1 HIS A 29 2.017 -8.007 4.683 1.00 52.34 C ATOM 455 NE2 HIS A 29 1.013 -8.757 5.099 1.00 71.41 N ATOM 0 H HIS A 29 4.294 -11.754 8.847 1.00 13.33 H new ATOM 0 HA HIS A 29 3.373 -11.828 6.115 1.00 42.02 H new ATOM 0 HB2 HIS A 29 3.418 -9.967 8.168 1.00 32.33 H new ATOM 0 HB3 HIS A 29 4.711 -9.396 7.132 1.00 32.33 H new ATOM 0 HD2 HIS A 29 0.887 -10.353 6.599 1.00 12.20 H new ATOM 0 HE1 HIS A 29 1.961 -7.239 3.925 1.00 52.34 H new ATOM 0 HE2 HIS A 29 0.054 -8.707 4.757 1.00 71.41 H new ATOM 463 N PHE A 30 6.567 -11.353 6.808 1.00 64.42 N ATOM 464 CA PHE A 30 7.908 -11.379 6.234 1.00 54.43 C ATOM 465 C PHE A 30 8.163 -12.695 5.506 1.00 72.14 C ATOM 466 O PHE A 30 8.693 -12.710 4.394 1.00 73.33 O ATOM 467 CB PHE A 30 8.958 -11.176 7.328 1.00 70.02 C ATOM 468 CG PHE A 30 8.738 -9.937 8.148 1.00 71.10 C ATOM 469 CD1 PHE A 30 8.364 -8.748 7.544 1.00 53.33 C ATOM 470 CD2 PHE A 30 8.905 -9.962 9.523 1.00 32.02 C ATOM 471 CE1 PHE A 30 8.161 -7.606 8.296 1.00 24.21 C ATOM 472 CE2 PHE A 30 8.703 -8.824 10.281 1.00 45.41 C ATOM 473 CZ PHE A 30 8.330 -7.644 9.666 1.00 23.44 C ATOM 0 H PHE A 30 6.544 -11.229 7.820 1.00 64.42 H new ATOM 0 HA PHE A 30 7.983 -10.565 5.513 1.00 54.43 H new ATOM 0 HB2 PHE A 30 8.956 -12.044 7.988 1.00 70.02 H new ATOM 0 HB3 PHE A 30 9.945 -11.127 6.868 1.00 70.02 H new ATOM 0 HD1 PHE A 30 8.229 -8.713 6.473 1.00 53.33 H new ATOM 0 HD2 PHE A 30 9.197 -10.882 10.008 1.00 32.02 H new ATOM 0 HE1 PHE A 30 7.871 -6.685 7.813 1.00 24.21 H new ATOM 0 HE2 PHE A 30 8.836 -8.857 11.352 1.00 45.41 H new ATOM 0 HZ PHE A 30 8.171 -6.753 10.256 1.00 23.44 H new ATOM 483 N LEU A 31 7.783 -13.798 6.140 1.00 34.43 N ATOM 484 CA LEU A 31 7.970 -15.121 5.554 1.00 20.24 C ATOM 485 C LEU A 31 7.259 -15.227 4.209 1.00 13.42 C ATOM 486 O LEU A 31 7.755 -15.867 3.282 1.00 33.01 O ATOM 487 CB LEU A 31 7.449 -16.200 6.505 1.00 24.25 C ATOM 488 CG LEU A 31 8.503 -17.134 7.102 1.00 10.03 C ATOM 489 CD1 LEU A 31 9.378 -16.386 8.096 1.00 14.24 C ATOM 490 CD2 LEU A 31 7.839 -18.331 7.768 1.00 3.42 C ATOM 0 H LEU A 31 7.343 -13.803 7.060 1.00 34.43 H new ATOM 0 HA LEU A 31 9.037 -15.272 5.393 1.00 20.24 H new ATOM 0 HB2 LEU A 31 6.921 -15.711 7.323 1.00 24.25 H new ATOM 0 HB3 LEU A 31 6.717 -16.805 5.970 1.00 24.25 H new ATOM 0 HG LEU A 31 9.137 -17.499 6.294 1.00 10.03 H new ATOM 0 HD11 LEU A 31 10.122 -17.067 8.510 1.00 14.24 H new ATOM 0 HD12 LEU A 31 9.882 -15.563 7.590 1.00 14.24 H new ATOM 0 HD13 LEU A 31 8.758 -15.992 8.902 1.00 14.24 H new ATOM 0 HD21 LEU A 31 8.604 -18.985 8.187 1.00 3.42 H new ATOM 0 HD22 LEU A 31 7.181 -17.985 8.565 1.00 3.42 H new ATOM 0 HD23 LEU A 31 7.256 -18.881 7.029 1.00 3.42 H new ATOM 502 N ASP A 32 6.096 -14.593 4.110 1.00 54.33 N ATOM 503 CA ASP A 32 5.317 -14.612 2.877 1.00 62.23 C ATOM 504 C ASP A 32 5.987 -13.767 1.798 1.00 40.12 C ATOM 505 O ASP A 32 5.915 -14.085 0.612 1.00 54.14 O ATOM 506 CB ASP A 32 3.899 -14.101 3.135 1.00 1.15 C ATOM 507 CG ASP A 32 3.038 -15.121 3.855 1.00 42.25 C ATOM 508 OD1 ASP A 32 3.080 -16.308 3.471 1.00 62.24 O ATOM 509 OD2 ASP A 32 2.322 -14.732 4.801 1.00 52.53 O ATOM 0 H ASP A 32 5.672 -14.059 4.869 1.00 54.33 H new ATOM 0 HA ASP A 32 5.264 -15.643 2.526 1.00 62.23 H new ATOM 0 HB2 ASP A 32 3.947 -13.188 3.728 1.00 1.15 H new ATOM 0 HB3 ASP A 32 3.431 -13.841 2.185 1.00 1.15 H new ATOM 514 N GLY A 33 6.639 -12.687 2.219 1.00 54.15 N ATOM 515 CA GLY A 33 7.311 -11.812 1.276 1.00 53.21 C ATOM 516 C GLY A 33 8.569 -12.433 0.704 1.00 62.45 C ATOM 517 O GLY A 33 8.796 -12.392 -0.505 1.00 3.32 O ATOM 0 H GLY A 33 6.714 -12.403 3.196 1.00 54.15 H new ATOM 0 HA2 GLY A 33 6.628 -11.567 0.462 1.00 53.21 H new ATOM 0 HA3 GLY A 33 7.565 -10.875 1.772 1.00 53.21 H new ATOM 521 N GLY A 34 9.391 -13.011 1.575 1.00 43.14 N ATOM 522 CA GLY A 34 10.624 -13.634 1.130 1.00 4.21 C ATOM 523 C GLY A 34 10.390 -14.693 0.071 1.00 1.31 C ATOM 524 O GLY A 34 11.213 -14.875 -0.826 1.00 12.53 O ATOM 0 H GLY A 34 9.225 -13.059 2.580 1.00 43.14 H new ATOM 0 HA2 GLY A 34 11.291 -12.869 0.733 1.00 4.21 H new ATOM 0 HA3 GLY A 34 11.129 -14.085 1.985 1.00 4.21 H new ATOM 528 N GLU A 35 9.266 -15.394 0.176 1.00 54.10 N ATOM 529 CA GLU A 35 8.928 -16.442 -0.780 1.00 31.12 C ATOM 530 C GLU A 35 8.785 -15.870 -2.187 1.00 51.21 C ATOM 531 O GLU A 35 8.820 -16.604 -3.174 1.00 30.53 O ATOM 532 CB GLU A 35 7.630 -17.141 -0.367 1.00 44.52 C ATOM 533 CG GLU A 35 7.707 -17.812 0.994 1.00 54.41 C ATOM 534 CD GLU A 35 7.895 -19.313 0.894 1.00 5.25 C ATOM 535 OE1 GLU A 35 8.999 -19.747 0.502 1.00 50.52 O ATOM 536 OE2 GLU A 35 6.941 -20.054 1.209 1.00 53.43 O ATOM 0 H GLU A 35 8.574 -15.256 0.913 1.00 54.10 H new ATOM 0 HA GLU A 35 9.739 -17.170 -0.783 1.00 31.12 H new ATOM 0 HB2 GLU A 35 6.821 -16.411 -0.357 1.00 44.52 H new ATOM 0 HB3 GLU A 35 7.375 -17.889 -1.118 1.00 44.52 H new ATOM 0 HG2 GLU A 35 8.534 -17.383 1.560 1.00 54.41 H new ATOM 0 HG3 GLU A 35 6.795 -17.600 1.552 1.00 54.41 H new ATOM 543 N MET A 36 8.623 -14.553 -2.270 1.00 61.35 N ATOM 544 CA MET A 36 8.475 -13.882 -3.557 1.00 4.25 C ATOM 545 C MET A 36 9.733 -14.048 -4.404 1.00 52.40 C ATOM 546 O MET A 36 9.653 -14.249 -5.616 1.00 41.32 O ATOM 547 CB MET A 36 8.179 -12.395 -3.349 1.00 33.42 C ATOM 548 CG MET A 36 6.858 -12.132 -2.644 1.00 74.15 C ATOM 549 SD MET A 36 5.587 -11.508 -3.762 1.00 22.05 S ATOM 550 CE MET A 36 4.809 -10.267 -2.730 1.00 65.13 C ATOM 0 H MET A 36 8.591 -13.930 -1.463 1.00 61.35 H new ATOM 0 HA MET A 36 7.639 -14.342 -4.085 1.00 4.25 H new ATOM 0 HB2 MET A 36 8.987 -11.950 -2.768 1.00 33.42 H new ATOM 0 HB3 MET A 36 8.170 -11.895 -4.318 1.00 33.42 H new ATOM 0 HG2 MET A 36 6.508 -13.054 -2.180 1.00 74.15 H new ATOM 0 HG3 MET A 36 7.016 -11.412 -1.841 1.00 74.15 H new ATOM 0 HE1 MET A 36 4.000 -9.790 -3.282 1.00 65.13 H new ATOM 0 HE2 MET A 36 4.407 -10.739 -1.833 1.00 65.13 H new ATOM 0 HE3 MET A 36 5.546 -9.516 -2.446 1.00 65.13 H new ATOM 560 N ILE A 37 10.891 -13.962 -3.759 1.00 3.21 N ATOM 561 CA ILE A 37 12.165 -14.103 -4.454 1.00 75.32 C ATOM 562 C ILE A 37 12.494 -15.571 -4.705 1.00 53.11 C ATOM 563 O ILE A 37 13.234 -15.903 -5.631 1.00 40.21 O ATOM 564 CB ILE A 37 13.315 -13.460 -3.658 1.00 42.53 C ATOM 565 CG1 ILE A 37 14.508 -13.184 -4.576 1.00 71.43 C ATOM 566 CG2 ILE A 37 13.726 -14.358 -2.501 1.00 44.13 C ATOM 567 CD1 ILE A 37 14.220 -12.158 -5.650 1.00 21.41 C ATOM 0 H ILE A 37 10.974 -13.795 -2.756 1.00 3.21 H new ATOM 0 HA ILE A 37 12.062 -13.587 -5.409 1.00 75.32 H new ATOM 0 HB ILE A 37 12.968 -12.511 -3.249 1.00 42.53 H new ATOM 0 HG12 ILE A 37 15.348 -12.840 -3.973 1.00 71.43 H new ATOM 0 HG13 ILE A 37 14.815 -14.117 -5.049 1.00 71.43 H new ATOM 0 HG21 ILE A 37 14.540 -13.889 -1.948 1.00 44.13 H new ATOM 0 HG22 ILE A 37 12.875 -14.508 -1.837 1.00 44.13 H new ATOM 0 HG23 ILE A 37 14.058 -15.321 -2.888 1.00 44.13 H new ATOM 0 HD11 ILE A 37 15.110 -12.013 -6.263 1.00 21.41 H new ATOM 0 HD12 ILE A 37 13.401 -12.508 -6.278 1.00 21.41 H new ATOM 0 HD13 ILE A 37 13.942 -11.212 -5.185 1.00 21.41 H new ATOM 579 N VAL A 38 11.937 -16.447 -3.875 1.00 20.03 N ATOM 580 CA VAL A 38 12.169 -17.880 -4.008 1.00 33.32 C ATOM 581 C VAL A 38 11.522 -18.426 -5.276 1.00 35.23 C ATOM 582 O VAL A 38 12.178 -19.074 -6.092 1.00 54.45 O ATOM 583 CB VAL A 38 11.622 -18.652 -2.792 1.00 62.53 C ATOM 584 CG1 VAL A 38 11.819 -20.149 -2.978 1.00 74.30 C ATOM 585 CG2 VAL A 38 12.291 -18.173 -1.513 1.00 31.33 C ATOM 0 H VAL A 38 11.322 -16.189 -3.103 1.00 20.03 H new ATOM 0 HA VAL A 38 13.248 -18.022 -4.064 1.00 33.32 H new ATOM 0 HB VAL A 38 10.553 -18.458 -2.710 1.00 62.53 H new ATOM 0 HG11 VAL A 38 11.427 -20.678 -2.110 1.00 74.30 H new ATOM 0 HG12 VAL A 38 11.290 -20.477 -3.873 1.00 74.30 H new ATOM 0 HG13 VAL A 38 12.882 -20.366 -3.085 1.00 74.30 H new ATOM 0 HG21 VAL A 38 11.893 -18.729 -0.664 1.00 31.33 H new ATOM 0 HG22 VAL A 38 13.366 -18.337 -1.582 1.00 31.33 H new ATOM 0 HG23 VAL A 38 12.094 -17.110 -1.375 1.00 31.33 H new ATOM 595 N THR A 39 10.229 -18.160 -5.435 1.00 73.53 N ATOM 596 CA THR A 39 9.491 -18.625 -6.603 1.00 64.24 C ATOM 597 C THR A 39 10.216 -18.257 -7.893 1.00 53.32 C ATOM 598 O THR A 39 10.234 -19.031 -8.849 1.00 75.42 O ATOM 599 CB THR A 39 8.069 -18.036 -6.641 1.00 33.22 C ATOM 600 OG1 THR A 39 7.433 -18.370 -7.879 1.00 54.05 O ATOM 601 CG2 THR A 39 8.104 -16.524 -6.474 1.00 63.54 C ATOM 0 H THR A 39 9.671 -17.625 -4.769 1.00 73.53 H new ATOM 0 HA THR A 39 9.424 -19.710 -6.523 1.00 64.24 H new ATOM 0 HB THR A 39 7.501 -18.463 -5.815 1.00 33.22 H new ATOM 0 HG1 THR A 39 6.529 -17.993 -7.894 1.00 54.05 H new ATOM 0 HG21 THR A 39 7.088 -16.131 -6.504 1.00 63.54 H new ATOM 0 HG22 THR A 39 8.561 -16.274 -5.517 1.00 63.54 H new ATOM 0 HG23 THR A 39 8.688 -16.082 -7.281 1.00 63.54 H new ATOM 609 N ALA A 40 10.813 -17.070 -7.913 1.00 12.54 N ATOM 610 CA ALA A 40 11.541 -16.600 -9.085 1.00 2.15 C ATOM 611 C ALA A 40 12.752 -17.483 -9.369 1.00 13.43 C ATOM 612 O ALA A 40 13.072 -17.759 -10.524 1.00 64.31 O ATOM 613 CB ALA A 40 11.973 -15.154 -8.893 1.00 5.33 C ATOM 0 H ALA A 40 10.807 -16.416 -7.130 1.00 12.54 H new ATOM 0 HA ALA A 40 10.873 -16.657 -9.944 1.00 2.15 H new ATOM 0 HB1 ALA A 40 12.516 -14.816 -9.776 1.00 5.33 H new ATOM 0 HB2 ALA A 40 11.093 -14.528 -8.746 1.00 5.33 H new ATOM 0 HB3 ALA A 40 12.620 -15.081 -8.019 1.00 5.33 H new ATOM 619 N ALA A 41 13.421 -17.921 -8.307 1.00 74.24 N ATOM 620 CA ALA A 41 14.595 -18.774 -8.443 1.00 41.33 C ATOM 621 C ALA A 41 14.199 -20.197 -8.821 1.00 25.34 C ATOM 622 O ALA A 41 14.783 -20.794 -9.725 1.00 2.13 O ATOM 623 CB ALA A 41 15.401 -18.772 -7.153 1.00 34.25 C ATOM 0 H ALA A 41 13.170 -17.699 -7.344 1.00 74.24 H new ATOM 0 HA ALA A 41 15.214 -18.373 -9.245 1.00 41.33 H new ATOM 0 HB1 ALA A 41 16.275 -19.413 -7.269 1.00 34.25 H new ATOM 0 HB2 ALA A 41 15.724 -17.756 -6.927 1.00 34.25 H new ATOM 0 HB3 ALA A 41 14.783 -19.146 -6.337 1.00 34.25 H new ATOM 629 N GLU A 42 13.205 -20.735 -8.121 1.00 61.34 N ATOM 630 CA GLU A 42 12.734 -22.090 -8.383 1.00 74.13 C ATOM 631 C GLU A 42 12.259 -22.231 -9.827 1.00 21.52 C ATOM 632 O GLU A 42 12.689 -23.131 -10.549 1.00 30.53 O ATOM 633 CB GLU A 42 11.598 -22.453 -7.424 1.00 23.31 C ATOM 634 CG GLU A 42 11.999 -22.400 -5.959 1.00 52.21 C ATOM 635 CD GLU A 42 11.954 -23.761 -5.292 1.00 41.20 C ATOM 636 OE1 GLU A 42 12.854 -24.583 -5.563 1.00 22.24 O ATOM 637 OE2 GLU A 42 11.020 -24.004 -4.500 1.00 54.32 O ATOM 0 H GLU A 42 12.711 -20.254 -7.369 1.00 61.34 H new ATOM 0 HA GLU A 42 13.567 -22.774 -8.224 1.00 74.13 H new ATOM 0 HB2 GLU A 42 10.763 -21.772 -7.589 1.00 23.31 H new ATOM 0 HB3 GLU A 42 11.242 -23.456 -7.659 1.00 23.31 H new ATOM 0 HG2 GLU A 42 13.007 -21.992 -5.877 1.00 52.21 H new ATOM 0 HG3 GLU A 42 11.335 -21.718 -5.429 1.00 52.21 H new ATOM 644 N LYS A 43 11.369 -21.336 -10.241 1.00 62.11 N ATOM 645 CA LYS A 43 10.835 -21.358 -11.598 1.00 22.43 C ATOM 646 C LYS A 43 11.942 -21.131 -12.622 1.00 3.50 C ATOM 647 O LYS A 43 11.832 -21.553 -13.772 1.00 54.14 O ATOM 648 CB LYS A 43 9.750 -20.292 -11.758 1.00 52.43 C ATOM 649 CG LYS A 43 8.876 -20.493 -12.984 1.00 14.01 C ATOM 650 CD LYS A 43 8.882 -19.266 -13.881 1.00 35.43 C ATOM 651 CE LYS A 43 7.539 -19.073 -14.569 1.00 42.13 C ATOM 652 NZ LYS A 43 7.554 -17.908 -15.497 1.00 24.01 N ATOM 0 H LYS A 43 11.002 -20.586 -9.656 1.00 62.11 H new ATOM 0 HA LYS A 43 10.398 -22.341 -11.774 1.00 22.43 H new ATOM 0 HB2 LYS A 43 9.119 -20.291 -10.869 1.00 52.43 H new ATOM 0 HB3 LYS A 43 10.222 -19.311 -11.815 1.00 52.43 H new ATOM 0 HG2 LYS A 43 9.230 -21.357 -13.546 1.00 14.01 H new ATOM 0 HG3 LYS A 43 7.855 -20.712 -12.672 1.00 14.01 H new ATOM 0 HD2 LYS A 43 9.119 -18.382 -13.289 1.00 35.43 H new ATOM 0 HD3 LYS A 43 9.666 -19.366 -14.632 1.00 35.43 H new ATOM 0 HE2 LYS A 43 7.282 -19.976 -15.123 1.00 42.13 H new ATOM 0 HE3 LYS A 43 6.763 -18.929 -13.817 1.00 42.13 H new ATOM 0 HZ1 LYS A 43 6.621 -17.810 -15.946 1.00 24.01 H new ATOM 0 HZ2 LYS A 43 7.775 -17.043 -14.964 1.00 24.01 H new ATOM 0 HZ3 LYS A 43 8.277 -18.057 -16.230 1.00 24.01 H new ATOM 666 N GLU A 44 13.009 -20.462 -12.195 1.00 51.31 N ATOM 667 CA GLU A 44 14.136 -20.179 -13.076 1.00 72.24 C ATOM 668 C GLU A 44 15.161 -21.309 -13.028 1.00 12.41 C ATOM 669 O GLU A 44 14.959 -22.316 -12.351 1.00 14.14 O ATOM 670 CB GLU A 44 14.799 -18.857 -12.685 1.00 52.23 C ATOM 671 CG GLU A 44 14.086 -17.633 -13.235 1.00 13.45 C ATOM 672 CD GLU A 44 13.972 -17.653 -14.746 1.00 61.15 C ATOM 673 OE1 GLU A 44 15.018 -17.777 -15.418 1.00 31.52 O ATOM 674 OE2 GLU A 44 12.838 -17.545 -15.258 1.00 44.54 O ATOM 0 H GLU A 44 13.116 -20.106 -11.245 1.00 51.31 H new ATOM 0 HA GLU A 44 13.756 -20.099 -14.095 1.00 72.24 H new ATOM 0 HB2 GLU A 44 14.837 -18.787 -11.598 1.00 52.23 H new ATOM 0 HB3 GLU A 44 15.829 -18.858 -13.041 1.00 52.23 H new ATOM 0 HG2 GLU A 44 13.088 -17.573 -12.800 1.00 13.45 H new ATOM 0 HG3 GLU A 44 14.623 -16.736 -12.927 1.00 13.45 H new ATOM 681 N ALA A 45 16.261 -21.133 -13.752 1.00 42.50 N ATOM 682 CA ALA A 45 17.319 -22.135 -13.791 1.00 34.00 C ATOM 683 C ALA A 45 18.571 -21.586 -14.465 1.00 42.23 C ATOM 684 O ALA A 45 19.686 -21.784 -13.982 1.00 33.12 O ATOM 685 CB ALA A 45 16.834 -23.385 -14.511 1.00 24.14 C ATOM 0 H ALA A 45 16.443 -20.305 -14.320 1.00 42.50 H new ATOM 0 HA ALA A 45 17.577 -22.396 -12.765 1.00 34.00 H new ATOM 0 HB1 ALA A 45 17.634 -24.125 -14.533 1.00 24.14 H new ATOM 0 HB2 ALA A 45 15.973 -23.797 -13.985 1.00 24.14 H new ATOM 0 HB3 ALA A 45 16.548 -23.129 -15.531 1.00 24.14 H new ATOM 691 N SER A 46 18.381 -20.895 -15.585 1.00 74.40 N ATOM 692 CA SER A 46 19.496 -20.321 -16.328 1.00 60.34 C ATOM 693 C SER A 46 19.775 -18.893 -15.872 1.00 1.42 C ATOM 694 O SER A 46 19.958 -17.993 -16.691 1.00 60.05 O ATOM 695 CB SER A 46 19.200 -20.341 -17.829 1.00 51.52 C ATOM 696 OG SER A 46 20.270 -19.776 -18.567 1.00 53.14 O ATOM 0 H SER A 46 17.465 -20.719 -15.997 1.00 74.40 H new ATOM 0 HA SER A 46 20.381 -20.926 -16.131 1.00 60.34 H new ATOM 0 HB2 SER A 46 19.030 -21.367 -18.156 1.00 51.52 H new ATOM 0 HB3 SER A 46 18.283 -19.787 -18.030 1.00 51.52 H new ATOM 0 HG SER A 46 20.487 -18.892 -18.203 1.00 53.14 H new ATOM 702 N GLN A 47 19.806 -18.693 -14.558 1.00 71.21 N ATOM 703 CA GLN A 47 20.062 -17.374 -13.992 1.00 31.11 C ATOM 704 C GLN A 47 21.219 -17.423 -13.000 1.00 2.21 C ATOM 705 O GLN A 47 21.254 -18.274 -12.111 1.00 12.11 O ATOM 706 CB GLN A 47 18.806 -16.839 -13.302 1.00 74.43 C ATOM 707 CG GLN A 47 18.687 -15.324 -13.344 1.00 21.45 C ATOM 708 CD GLN A 47 17.846 -14.836 -14.506 1.00 74.22 C ATOM 709 OE1 GLN A 47 17.695 -15.529 -15.513 1.00 23.32 O ATOM 710 NE2 GLN A 47 17.291 -13.637 -14.374 1.00 20.04 N ATOM 0 H GLN A 47 19.657 -19.427 -13.866 1.00 71.21 H new ATOM 0 HA GLN A 47 20.334 -16.703 -14.807 1.00 31.11 H new ATOM 0 HB2 GLN A 47 17.927 -17.277 -13.775 1.00 74.43 H new ATOM 0 HB3 GLN A 47 18.805 -17.166 -12.262 1.00 74.43 H new ATOM 0 HG2 GLN A 47 18.248 -14.972 -12.410 1.00 21.45 H new ATOM 0 HG3 GLN A 47 19.683 -14.887 -13.413 1.00 21.45 H new ATOM 0 HE21 GLN A 47 17.442 -13.096 -13.523 1.00 20.04 H new ATOM 0 HE22 GLN A 47 16.714 -13.257 -15.124 1.00 20.04 H new ATOM 719 N LYS A 48 22.166 -16.504 -13.158 1.00 23.42 N ATOM 720 CA LYS A 48 23.326 -16.441 -12.276 1.00 12.20 C ATOM 721 C LYS A 48 22.954 -15.823 -10.932 1.00 31.12 C ATOM 722 O LYS A 48 23.547 -16.147 -9.903 1.00 3.00 O ATOM 723 CB LYS A 48 24.446 -15.629 -12.930 1.00 51.31 C ATOM 724 CG LYS A 48 24.840 -16.135 -14.307 1.00 12.20 C ATOM 725 CD LYS A 48 26.350 -16.200 -14.466 1.00 75.21 C ATOM 726 CE LYS A 48 26.872 -17.612 -14.248 1.00 4.33 C ATOM 727 NZ LYS A 48 27.281 -18.256 -15.527 1.00 3.25 N ATOM 0 H LYS A 48 22.153 -15.792 -13.889 1.00 23.42 H new ATOM 0 HA LYS A 48 23.676 -17.459 -12.104 1.00 12.20 H new ATOM 0 HB2 LYS A 48 24.130 -14.589 -13.011 1.00 51.31 H new ATOM 0 HB3 LYS A 48 25.322 -15.646 -12.282 1.00 51.31 H new ATOM 0 HG2 LYS A 48 24.413 -17.125 -14.468 1.00 12.20 H new ATOM 0 HG3 LYS A 48 24.421 -15.480 -15.070 1.00 12.20 H new ATOM 0 HD2 LYS A 48 26.627 -15.858 -15.463 1.00 75.21 H new ATOM 0 HD3 LYS A 48 26.822 -15.522 -13.754 1.00 75.21 H new ATOM 0 HE2 LYS A 48 27.723 -17.584 -13.567 1.00 4.33 H new ATOM 0 HE3 LYS A 48 26.100 -18.214 -13.769 1.00 4.33 H new ATOM 0 HZ1 LYS A 48 27.631 -19.217 -15.336 1.00 3.25 H new ATOM 0 HZ2 LYS A 48 26.463 -18.306 -16.167 1.00 3.25 H new ATOM 0 HZ3 LYS A 48 28.035 -17.695 -15.972 1.00 3.25 H new ATOM 741 N VAL A 49 21.967 -14.933 -10.948 1.00 10.34 N ATOM 742 CA VAL A 49 21.514 -14.272 -9.729 1.00 42.35 C ATOM 743 C VAL A 49 20.632 -15.196 -8.898 1.00 25.33 C ATOM 744 O VAL A 49 20.623 -15.122 -7.669 1.00 11.01 O ATOM 745 CB VAL A 49 20.732 -12.983 -10.047 1.00 61.54 C ATOM 746 CG1 VAL A 49 21.661 -11.921 -10.616 1.00 32.32 C ATOM 747 CG2 VAL A 49 19.592 -13.277 -11.011 1.00 32.04 C ATOM 0 H VAL A 49 21.466 -14.653 -11.791 1.00 10.34 H new ATOM 0 HA VAL A 49 22.406 -14.016 -9.158 1.00 42.35 H new ATOM 0 HB VAL A 49 20.305 -12.599 -9.120 1.00 61.54 H new ATOM 0 HG11 VAL A 49 21.091 -11.018 -10.834 1.00 32.32 H new ATOM 0 HG12 VAL A 49 22.440 -11.691 -9.889 1.00 32.32 H new ATOM 0 HG13 VAL A 49 22.119 -12.292 -11.533 1.00 32.32 H new ATOM 0 HG21 VAL A 49 19.050 -12.356 -11.225 1.00 32.04 H new ATOM 0 HG22 VAL A 49 19.995 -13.685 -11.938 1.00 32.04 H new ATOM 0 HG23 VAL A 49 18.913 -14.001 -10.561 1.00 32.04 H new ATOM 757 N ARG A 50 19.893 -16.068 -9.576 1.00 11.31 N ATOM 758 CA ARG A 50 19.007 -17.007 -8.899 1.00 74.15 C ATOM 759 C ARG A 50 19.692 -17.620 -7.682 1.00 33.33 C ATOM 760 O ARG A 50 19.091 -17.743 -6.615 1.00 53.53 O ATOM 761 CB ARG A 50 18.569 -18.112 -9.862 1.00 65.55 C ATOM 762 CG ARG A 50 17.871 -19.276 -9.178 1.00 4.04 C ATOM 763 CD ARG A 50 18.663 -20.566 -9.325 1.00 41.25 C ATOM 764 NE ARG A 50 19.493 -20.836 -8.154 1.00 74.23 N ATOM 765 CZ ARG A 50 19.969 -22.039 -7.853 1.00 62.01 C ATOM 766 NH1 ARG A 50 19.700 -23.077 -8.633 1.00 41.22 N ATOM 767 NH2 ARG A 50 20.717 -22.205 -6.770 1.00 21.53 N ATOM 0 H ARG A 50 19.890 -16.144 -10.593 1.00 11.31 H new ATOM 0 HA ARG A 50 18.127 -16.459 -8.561 1.00 74.15 H new ATOM 0 HB2 ARG A 50 17.899 -17.686 -10.609 1.00 65.55 H new ATOM 0 HB3 ARG A 50 19.444 -18.486 -10.394 1.00 65.55 H new ATOM 0 HG2 ARG A 50 17.736 -19.050 -8.120 1.00 4.04 H new ATOM 0 HG3 ARG A 50 16.877 -19.407 -9.606 1.00 4.04 H new ATOM 0 HD2 ARG A 50 17.976 -21.397 -9.481 1.00 41.25 H new ATOM 0 HD3 ARG A 50 19.295 -20.504 -10.211 1.00 41.25 H new ATOM 0 HE ARG A 50 19.719 -20.059 -7.534 1.00 74.23 H new ATOM 0 HH11 ARG A 50 19.126 -22.953 -9.467 1.00 41.22 H new ATOM 0 HH12 ARG A 50 20.067 -23.999 -8.399 1.00 41.22 H new ATOM 0 HH21 ARG A 50 20.927 -21.409 -6.168 1.00 21.53 H new ATOM 0 HH22 ARG A 50 21.082 -23.129 -6.539 1.00 21.53 H new ATOM 781 N ASN A 51 20.953 -18.005 -7.850 1.00 11.44 N ATOM 782 CA ASN A 51 21.720 -18.606 -6.765 1.00 35.24 C ATOM 783 C ASN A 51 21.774 -17.676 -5.556 1.00 70.43 C ATOM 784 O ASN A 51 21.501 -18.089 -4.428 1.00 74.24 O ATOM 785 CB ASN A 51 23.138 -18.933 -7.235 1.00 23.20 C ATOM 786 CG ASN A 51 23.978 -19.566 -6.142 1.00 61.34 C ATOM 787 OD1 ASN A 51 24.015 -20.789 -6.003 1.00 3.15 O ATOM 788 ND2 ASN A 51 24.657 -18.734 -5.361 1.00 62.43 N ATOM 0 H ASN A 51 21.465 -17.911 -8.727 1.00 11.44 H new ATOM 0 HA ASN A 51 21.221 -19.529 -6.469 1.00 35.24 H new ATOM 0 HB2 ASN A 51 23.088 -19.609 -8.089 1.00 23.20 H new ATOM 0 HB3 ASN A 51 23.623 -18.020 -7.580 1.00 23.20 H new ATOM 0 HD21 ASN A 51 25.240 -19.102 -4.609 1.00 62.43 H new ATOM 0 HD22 ASN A 51 24.596 -17.727 -5.513 1.00 62.43 H new ATOM 795 N LEU A 52 22.128 -16.419 -5.800 1.00 20.43 N ATOM 796 CA LEU A 52 22.218 -15.429 -4.732 1.00 32.40 C ATOM 797 C LEU A 52 20.832 -15.068 -4.206 1.00 63.14 C ATOM 798 O LEU A 52 20.671 -14.722 -3.035 1.00 64.41 O ATOM 799 CB LEU A 52 22.929 -14.172 -5.234 1.00 41.33 C ATOM 800 CG LEU A 52 23.548 -13.277 -4.160 1.00 44.44 C ATOM 801 CD1 LEU A 52 24.662 -14.011 -3.431 1.00 5.12 C ATOM 802 CD2 LEU A 52 24.071 -11.987 -4.777 1.00 63.41 C ATOM 0 H LEU A 52 22.357 -16.061 -6.727 1.00 20.43 H new ATOM 0 HA LEU A 52 22.795 -15.863 -3.915 1.00 32.40 H new ATOM 0 HB2 LEU A 52 23.716 -14.475 -5.924 1.00 41.33 H new ATOM 0 HB3 LEU A 52 22.215 -13.579 -5.806 1.00 41.33 H new ATOM 0 HG LEU A 52 22.774 -13.022 -3.436 1.00 44.44 H new ATOM 0 HD11 LEU A 52 25.091 -13.358 -2.670 1.00 5.12 H new ATOM 0 HD12 LEU A 52 24.259 -14.905 -2.956 1.00 5.12 H new ATOM 0 HD13 LEU A 52 25.437 -14.296 -4.143 1.00 5.12 H new ATOM 0 HD21 LEU A 52 24.508 -11.362 -3.998 1.00 63.41 H new ATOM 0 HD22 LEU A 52 24.831 -12.222 -5.522 1.00 63.41 H new ATOM 0 HD23 LEU A 52 23.249 -11.452 -5.253 1.00 63.41 H new ATOM 814 N LEU A 53 19.834 -15.152 -5.079 1.00 31.33 N ATOM 815 CA LEU A 53 18.460 -14.837 -4.702 1.00 43.42 C ATOM 816 C LEU A 53 17.988 -15.733 -3.562 1.00 62.43 C ATOM 817 O LEU A 53 17.409 -15.259 -2.584 1.00 24.22 O ATOM 818 CB LEU A 53 17.532 -14.993 -5.908 1.00 34.04 C ATOM 819 CG LEU A 53 17.314 -13.739 -6.754 1.00 53.43 C ATOM 820 CD1 LEU A 53 18.545 -12.846 -6.713 1.00 73.54 C ATOM 821 CD2 LEU A 53 16.974 -14.116 -8.189 1.00 13.22 C ATOM 0 H LEU A 53 19.950 -15.435 -6.052 1.00 31.33 H new ATOM 0 HA LEU A 53 18.431 -13.802 -4.360 1.00 43.42 H new ATOM 0 HB2 LEU A 53 17.934 -15.776 -6.551 1.00 34.04 H new ATOM 0 HB3 LEU A 53 16.562 -15.340 -5.552 1.00 34.04 H new ATOM 0 HG LEU A 53 16.474 -13.184 -6.336 1.00 53.43 H new ATOM 0 HD11 LEU A 53 18.371 -11.958 -7.321 1.00 73.54 H new ATOM 0 HD12 LEU A 53 18.744 -12.548 -5.684 1.00 73.54 H new ATOM 0 HD13 LEU A 53 19.403 -13.392 -7.105 1.00 73.54 H new ATOM 0 HD21 LEU A 53 16.822 -13.211 -8.777 1.00 13.22 H new ATOM 0 HD22 LEU A 53 17.793 -14.694 -8.617 1.00 13.22 H new ATOM 0 HD23 LEU A 53 16.063 -14.714 -8.202 1.00 13.22 H new ATOM 833 N LEU A 54 18.241 -17.031 -3.694 1.00 53.10 N ATOM 834 CA LEU A 54 17.844 -17.995 -2.674 1.00 34.13 C ATOM 835 C LEU A 54 18.781 -17.933 -1.472 1.00 14.23 C ATOM 836 O LEU A 54 18.342 -18.019 -0.324 1.00 60.42 O ATOM 837 CB LEU A 54 17.836 -19.410 -3.256 1.00 40.51 C ATOM 838 CG LEU A 54 17.041 -19.599 -4.549 1.00 5.13 C ATOM 839 CD1 LEU A 54 17.820 -20.458 -5.533 1.00 2.20 C ATOM 840 CD2 LEU A 54 15.684 -20.220 -4.254 1.00 52.01 C ATOM 0 H LEU A 54 18.719 -17.440 -4.497 1.00 53.10 H new ATOM 0 HA LEU A 54 16.838 -17.740 -2.341 1.00 34.13 H new ATOM 0 HB2 LEU A 54 18.867 -19.712 -3.440 1.00 40.51 H new ATOM 0 HB3 LEU A 54 17.434 -20.089 -2.504 1.00 40.51 H new ATOM 0 HG LEU A 54 16.880 -18.620 -5.001 1.00 5.13 H new ATOM 0 HD11 LEU A 54 17.239 -20.582 -6.447 1.00 2.20 H new ATOM 0 HD12 LEU A 54 18.768 -19.973 -5.768 1.00 2.20 H new ATOM 0 HD13 LEU A 54 18.012 -21.435 -5.090 1.00 2.20 H new ATOM 0 HD21 LEU A 54 15.132 -20.347 -5.185 1.00 52.01 H new ATOM 0 HD22 LEU A 54 15.824 -21.191 -3.779 1.00 52.01 H new ATOM 0 HD23 LEU A 54 15.123 -19.567 -3.586 1.00 52.01 H new ATOM 852 N HIS A 55 20.073 -17.780 -1.742 1.00 50.15 N ATOM 853 CA HIS A 55 21.072 -17.703 -0.683 1.00 2.23 C ATOM 854 C HIS A 55 20.798 -16.517 0.237 1.00 45.41 C ATOM 855 O HIS A 55 20.775 -16.658 1.460 1.00 53.33 O ATOM 856 CB HIS A 55 22.474 -17.586 -1.282 1.00 51.41 C ATOM 857 CG HIS A 55 23.571 -17.734 -0.273 1.00 50.32 C ATOM 858 ND1 HIS A 55 24.225 -16.659 0.291 1.00 53.40 N ATOM 859 CD2 HIS A 55 24.127 -18.840 0.274 1.00 45.34 C ATOM 860 CE1 HIS A 55 25.137 -17.097 1.140 1.00 40.01 C ATOM 861 NE2 HIS A 55 25.098 -18.417 1.148 1.00 21.23 N ATOM 0 H HIS A 55 20.453 -17.707 -2.686 1.00 50.15 H new ATOM 0 HA HIS A 55 21.012 -18.618 -0.094 1.00 2.23 H new ATOM 0 HB2 HIS A 55 22.595 -18.347 -2.053 1.00 51.41 H new ATOM 0 HB3 HIS A 55 22.571 -16.617 -1.772 1.00 51.41 H new ATOM 0 HD2 HIS A 55 23.857 -19.864 0.063 1.00 45.34 H new ATOM 0 HE1 HIS A 55 25.801 -16.481 1.728 1.00 40.01 H new ATOM 0 HE2 HIS A 55 25.693 -19.024 1.712 1.00 21.23 H new ATOM 869 N LYS A 56 20.593 -15.347 -0.359 1.00 71.14 N ATOM 870 CA LYS A 56 20.320 -14.136 0.405 1.00 43.42 C ATOM 871 C LYS A 56 18.900 -14.151 0.961 1.00 22.22 C ATOM 872 O LYS A 56 18.639 -13.617 2.038 1.00 23.33 O ATOM 873 CB LYS A 56 20.522 -12.898 -0.473 1.00 30.21 C ATOM 874 CG LYS A 56 21.970 -12.451 -0.570 1.00 2.32 C ATOM 875 CD LYS A 56 22.086 -10.936 -0.580 1.00 2.40 C ATOM 876 CE LYS A 56 22.697 -10.432 -1.879 1.00 21.13 C ATOM 877 NZ LYS A 56 22.834 -8.949 -1.889 1.00 23.41 N ATOM 0 H LYS A 56 20.611 -15.212 -1.370 1.00 71.14 H new ATOM 0 HA LYS A 56 21.018 -14.099 1.241 1.00 43.42 H new ATOM 0 HB2 LYS A 56 20.148 -13.108 -1.475 1.00 30.21 H new ATOM 0 HB3 LYS A 56 19.924 -12.079 -0.075 1.00 30.21 H new ATOM 0 HG2 LYS A 56 22.533 -12.854 0.271 1.00 2.32 H new ATOM 0 HG3 LYS A 56 22.417 -12.857 -1.477 1.00 2.32 H new ATOM 0 HD2 LYS A 56 21.099 -10.494 -0.445 1.00 2.40 H new ATOM 0 HD3 LYS A 56 22.698 -10.611 0.261 1.00 2.40 H new ATOM 0 HE2 LYS A 56 23.677 -10.888 -2.020 1.00 21.13 H new ATOM 0 HE3 LYS A 56 22.076 -10.745 -2.718 1.00 21.13 H new ATOM 0 HZ1 LYS A 56 23.254 -8.645 -2.791 1.00 23.41 H new ATOM 0 HZ2 LYS A 56 21.896 -8.513 -1.780 1.00 23.41 H new ATOM 0 HZ3 LYS A 56 23.448 -8.652 -1.104 1.00 23.41 H new ATOM 891 N GLY A 57 17.985 -14.769 0.220 1.00 44.34 N ATOM 892 CA GLY A 57 16.603 -14.843 0.656 1.00 25.43 C ATOM 893 C GLY A 57 16.424 -15.744 1.862 1.00 24.22 C ATOM 894 O GLY A 57 15.590 -15.478 2.727 1.00 33.23 O ATOM 0 H GLY A 57 18.177 -15.220 -0.675 1.00 44.34 H new ATOM 0 HA2 GLY A 57 16.247 -13.842 0.898 1.00 25.43 H new ATOM 0 HA3 GLY A 57 15.986 -15.211 -0.164 1.00 25.43 H new ATOM 898 N LYS A 58 17.209 -16.815 1.921 1.00 71.05 N ATOM 899 CA LYS A 58 17.134 -17.760 3.029 1.00 51.43 C ATOM 900 C LYS A 58 17.768 -17.174 4.286 1.00 31.25 C ATOM 901 O LYS A 58 17.335 -17.463 5.402 1.00 43.53 O ATOM 902 CB LYS A 58 17.830 -19.070 2.656 1.00 24.55 C ATOM 903 CG LYS A 58 18.636 -19.675 3.793 1.00 21.21 C ATOM 904 CD LYS A 58 20.038 -19.092 3.855 1.00 60.34 C ATOM 905 CE LYS A 58 21.095 -20.153 3.586 1.00 51.31 C ATOM 906 NZ LYS A 58 21.354 -20.995 4.787 1.00 53.44 N ATOM 0 H LYS A 58 17.905 -17.050 1.213 1.00 71.05 H new ATOM 0 HA LYS A 58 16.082 -17.961 3.234 1.00 51.43 H new ATOM 0 HB2 LYS A 58 17.080 -19.790 2.330 1.00 24.55 H new ATOM 0 HB3 LYS A 58 18.491 -18.892 1.808 1.00 24.55 H new ATOM 0 HG2 LYS A 58 18.124 -19.496 4.739 1.00 21.21 H new ATOM 0 HG3 LYS A 58 18.696 -20.756 3.663 1.00 21.21 H new ATOM 0 HD2 LYS A 58 20.132 -18.289 3.124 1.00 60.34 H new ATOM 0 HD3 LYS A 58 20.206 -18.650 4.837 1.00 60.34 H new ATOM 0 HE2 LYS A 58 20.771 -20.787 2.761 1.00 51.31 H new ATOM 0 HE3 LYS A 58 22.022 -19.672 3.273 1.00 51.31 H new ATOM 0 HZ1 LYS A 58 22.080 -21.705 4.563 1.00 53.44 H new ATOM 0 HZ2 LYS A 58 21.687 -20.394 5.567 1.00 53.44 H new ATOM 0 HZ3 LYS A 58 20.476 -21.475 5.071 1.00 53.44 H new ATOM 920 N GLU A 59 18.794 -16.350 4.098 1.00 20.21 N ATOM 921 CA GLU A 59 19.486 -15.724 5.219 1.00 60.43 C ATOM 922 C GLU A 59 18.639 -14.610 5.827 1.00 5.10 C ATOM 923 O GLU A 59 18.279 -14.660 7.003 1.00 31.30 O ATOM 924 CB GLU A 59 20.836 -15.165 4.765 1.00 51.30 C ATOM 925 CG GLU A 59 21.996 -16.120 4.986 1.00 63.31 C ATOM 926 CD GLU A 59 22.240 -16.413 6.454 1.00 73.13 C ATOM 927 OE1 GLU A 59 22.304 -15.452 7.248 1.00 4.02 O ATOM 928 OE2 GLU A 59 22.365 -17.604 6.807 1.00 22.35 O ATOM 0 H GLU A 59 19.164 -16.100 3.181 1.00 20.21 H new ATOM 0 HA GLU A 59 19.654 -16.485 5.981 1.00 60.43 H new ATOM 0 HB2 GLU A 59 20.779 -14.916 3.705 1.00 51.30 H new ATOM 0 HB3 GLU A 59 21.034 -14.237 5.301 1.00 51.30 H new ATOM 0 HG2 GLU A 59 21.797 -17.054 4.461 1.00 63.31 H new ATOM 0 HG3 GLU A 59 22.900 -15.695 4.549 1.00 63.31 H new ATOM 935 N VAL A 60 18.326 -13.603 5.017 1.00 22.51 N ATOM 936 CA VAL A 60 17.522 -12.476 5.474 1.00 60.40 C ATOM 937 C VAL A 60 16.241 -12.953 6.149 1.00 22.25 C ATOM 938 O VAL A 60 15.726 -12.301 7.059 1.00 72.14 O ATOM 939 CB VAL A 60 17.156 -11.539 4.308 1.00 1.20 C ATOM 940 CG1 VAL A 60 16.365 -12.289 3.247 1.00 21.13 C ATOM 941 CG2 VAL A 60 16.375 -10.337 4.817 1.00 52.34 C ATOM 0 H VAL A 60 18.617 -13.545 4.041 1.00 22.51 H new ATOM 0 HA VAL A 60 18.127 -11.927 6.196 1.00 60.40 H new ATOM 0 HB VAL A 60 18.078 -11.178 3.851 1.00 1.20 H new ATOM 0 HG11 VAL A 60 16.116 -11.610 2.431 1.00 21.13 H new ATOM 0 HG12 VAL A 60 16.964 -13.114 2.862 1.00 21.13 H new ATOM 0 HG13 VAL A 60 15.448 -12.681 3.686 1.00 21.13 H new ATOM 0 HG21 VAL A 60 16.124 -9.685 3.980 1.00 52.34 H new ATOM 0 HG22 VAL A 60 15.459 -10.676 5.300 1.00 52.34 H new ATOM 0 HG23 VAL A 60 16.982 -9.787 5.536 1.00 52.34 H new ATOM 951 N LEU A 61 15.732 -14.095 5.700 1.00 13.22 N ATOM 952 CA LEU A 61 14.510 -14.661 6.262 1.00 40.14 C ATOM 953 C LEU A 61 14.700 -15.015 7.733 1.00 63.51 C ATOM 954 O LEU A 61 13.856 -14.700 8.571 1.00 61.22 O ATOM 955 CB LEU A 61 14.093 -15.905 5.475 1.00 14.22 C ATOM 956 CG LEU A 61 12.871 -15.747 4.569 1.00 63.32 C ATOM 957 CD1 LEU A 61 11.601 -15.641 5.398 1.00 21.03 C ATOM 958 CD2 LEU A 61 13.027 -14.529 3.671 1.00 43.15 C ATOM 0 H LEU A 61 16.146 -14.647 4.949 1.00 13.22 H new ATOM 0 HA LEU A 61 13.723 -13.911 6.188 1.00 40.14 H new ATOM 0 HB2 LEU A 61 14.936 -16.222 4.862 1.00 14.22 H new ATOM 0 HB3 LEU A 61 13.894 -16.709 6.184 1.00 14.22 H new ATOM 0 HG LEU A 61 12.795 -16.632 3.937 1.00 63.32 H new ATOM 0 HD11 LEU A 61 10.742 -15.529 4.736 1.00 21.03 H new ATOM 0 HD12 LEU A 61 11.482 -16.543 5.998 1.00 21.03 H new ATOM 0 HD13 LEU A 61 11.667 -14.774 6.056 1.00 21.03 H new ATOM 0 HD21 LEU A 61 12.148 -14.432 3.033 1.00 43.15 H new ATOM 0 HD22 LEU A 61 13.130 -13.635 4.286 1.00 43.15 H new ATOM 0 HD23 LEU A 61 13.915 -14.646 3.050 1.00 43.15 H new ATOM 970 N GLU A 62 15.816 -15.671 8.039 1.00 75.10 N ATOM 971 CA GLU A 62 16.116 -16.067 9.410 1.00 44.22 C ATOM 972 C GLU A 62 16.706 -14.899 10.196 1.00 20.41 C ATOM 973 O GLU A 62 16.579 -14.834 11.419 1.00 63.12 O ATOM 974 CB GLU A 62 17.090 -17.247 9.421 1.00 32.34 C ATOM 975 CG GLU A 62 16.403 -18.602 9.468 1.00 42.11 C ATOM 976 CD GLU A 62 16.543 -19.281 10.816 1.00 3.05 C ATOM 977 OE1 GLU A 62 17.564 -19.966 11.033 1.00 5.13 O ATOM 978 OE2 GLU A 62 15.631 -19.127 11.655 1.00 12.22 O ATOM 0 H GLU A 62 16.526 -15.939 7.357 1.00 75.10 H new ATOM 0 HA GLU A 62 15.184 -16.370 9.887 1.00 44.22 H new ATOM 0 HB2 GLU A 62 17.718 -17.198 8.531 1.00 32.34 H new ATOM 0 HB3 GLU A 62 17.751 -17.154 10.283 1.00 32.34 H new ATOM 0 HG2 GLU A 62 15.345 -18.477 9.237 1.00 42.11 H new ATOM 0 HG3 GLU A 62 16.824 -19.246 8.696 1.00 42.11 H new ATOM 985 N TRP A 63 17.351 -13.981 9.486 1.00 73.25 N ATOM 986 CA TRP A 63 17.961 -12.816 10.116 1.00 32.24 C ATOM 987 C TRP A 63 16.896 -11.885 10.685 1.00 31.02 C ATOM 988 O TRP A 63 16.944 -11.516 11.858 1.00 13.11 O ATOM 989 CB TRP A 63 18.830 -12.062 9.109 1.00 2.10 C ATOM 990 CG TRP A 63 19.528 -10.874 9.699 1.00 54.41 C ATOM 991 CD1 TRP A 63 19.438 -9.578 9.277 1.00 43.13 C ATOM 992 CD2 TRP A 63 20.422 -10.873 10.817 1.00 42.33 C ATOM 993 NE1 TRP A 63 20.223 -8.771 10.065 1.00 65.52 N ATOM 994 CE2 TRP A 63 20.837 -9.541 11.017 1.00 33.44 C ATOM 995 CE3 TRP A 63 20.912 -11.866 11.669 1.00 74.10 C ATOM 996 CZ2 TRP A 63 21.718 -9.182 12.034 1.00 53.32 C ATOM 997 CZ3 TRP A 63 21.786 -11.507 12.677 1.00 21.40 C ATOM 998 CH2 TRP A 63 22.181 -10.175 12.853 1.00 3.33 C ATOM 0 H TRP A 63 17.465 -14.021 8.473 1.00 73.25 H new ATOM 0 HA TRP A 63 18.588 -13.165 10.936 1.00 32.24 H new ATOM 0 HB2 TRP A 63 19.574 -12.745 8.699 1.00 2.10 H new ATOM 0 HB3 TRP A 63 18.207 -11.732 8.277 1.00 2.10 H new ATOM 0 HD1 TRP A 63 18.838 -9.238 8.446 1.00 43.13 H new ATOM 0 HE1 TRP A 63 20.331 -7.762 9.958 1.00 65.52 H new ATOM 0 HE3 TRP A 63 20.613 -12.896 11.542 1.00 74.10 H new ATOM 0 HZ2 TRP A 63 22.025 -8.156 12.171 1.00 53.32 H new ATOM 0 HZ3 TRP A 63 22.171 -12.267 13.341 1.00 21.40 H new ATOM 0 HH2 TRP A 63 22.865 -9.927 13.651 1.00 3.33 H new ATOM 1009 N ALA A 64 15.936 -11.509 9.847 1.00 73.02 N ATOM 1010 CA ALA A 64 14.858 -10.623 10.268 1.00 50.41 C ATOM 1011 C ALA A 64 14.133 -11.181 11.488 1.00 53.05 C ATOM 1012 O ALA A 64 13.629 -10.427 12.320 1.00 63.42 O ATOM 1013 CB ALA A 64 13.879 -10.402 9.124 1.00 11.03 C ATOM 0 H ALA A 64 15.883 -11.804 8.872 1.00 73.02 H new ATOM 0 HA ALA A 64 15.296 -9.665 10.546 1.00 50.41 H new ATOM 0 HB1 ALA A 64 13.079 -9.738 9.453 1.00 11.03 H new ATOM 0 HB2 ALA A 64 14.401 -9.951 8.280 1.00 11.03 H new ATOM 0 HB3 ALA A 64 13.454 -11.358 8.819 1.00 11.03 H new ATOM 1019 N GLU A 65 14.083 -12.506 11.586 1.00 50.23 N ATOM 1020 CA GLU A 65 13.417 -13.164 12.704 1.00 42.23 C ATOM 1021 C GLU A 65 14.283 -13.112 13.959 1.00 21.32 C ATOM 1022 O GLU A 65 13.783 -13.237 15.078 1.00 72.14 O ATOM 1023 CB GLU A 65 13.097 -14.618 12.351 1.00 11.12 C ATOM 1024 CG GLU A 65 12.018 -14.764 11.292 1.00 52.35 C ATOM 1025 CD GLU A 65 10.954 -15.773 11.677 1.00 12.14 C ATOM 1026 OE1 GLU A 65 11.264 -16.688 12.469 1.00 10.42 O ATOM 1027 OE2 GLU A 65 9.812 -15.648 11.188 1.00 71.41 O ATOM 0 H GLU A 65 14.495 -13.144 10.905 1.00 50.23 H new ATOM 0 HA GLU A 65 12.486 -12.633 12.904 1.00 42.23 H new ATOM 0 HB2 GLU A 65 14.006 -15.107 12.001 1.00 11.12 H new ATOM 0 HB3 GLU A 65 12.781 -15.141 13.254 1.00 11.12 H new ATOM 0 HG2 GLU A 65 11.549 -13.795 11.121 1.00 52.35 H new ATOM 0 HG3 GLU A 65 12.477 -15.067 10.351 1.00 52.35 H new ATOM 1034 N HIS A 66 15.585 -12.928 13.766 1.00 63.12 N ATOM 1035 CA HIS A 66 16.522 -12.860 14.882 1.00 51.11 C ATOM 1036 C HIS A 66 16.119 -11.763 15.863 1.00 41.11 C ATOM 1037 O HIS A 66 15.962 -12.012 17.059 1.00 71.21 O ATOM 1038 CB HIS A 66 17.940 -12.607 14.370 1.00 23.02 C ATOM 1039 CG HIS A 66 18.997 -13.319 15.157 1.00 31.32 C ATOM 1040 ND1 HIS A 66 19.084 -13.254 16.532 1.00 51.22 N ATOM 1041 CD2 HIS A 66 20.014 -14.117 14.755 1.00 73.10 C ATOM 1042 CE1 HIS A 66 20.110 -13.979 16.941 1.00 54.11 C ATOM 1043 NE2 HIS A 66 20.690 -14.514 15.882 1.00 3.11 N ATOM 0 H HIS A 66 16.015 -12.823 12.847 1.00 63.12 H new ATOM 0 HA HIS A 66 16.498 -13.817 15.404 1.00 51.11 H new ATOM 0 HB2 HIS A 66 18.002 -12.920 13.328 1.00 23.02 H new ATOM 0 HB3 HIS A 66 18.140 -11.536 14.394 1.00 23.02 H new ATOM 0 HD2 HIS A 66 20.250 -14.390 13.737 1.00 73.10 H new ATOM 0 HE1 HIS A 66 20.421 -14.112 17.967 1.00 54.11 H new ATOM 0 HE2 HIS A 66 21.508 -15.123 15.899 1.00 3.11 H new ATOM 1051 N LEU A 67 15.954 -10.549 15.350 1.00 44.31 N ATOM 1052 CA LEU A 67 15.571 -9.413 16.181 1.00 54.33 C ATOM 1053 C LEU A 67 14.134 -9.559 16.673 1.00 4.22 C ATOM 1054 O LEU A 67 13.830 -9.261 17.828 1.00 43.53 O ATOM 1055 CB LEU A 67 15.723 -8.108 15.397 1.00 52.10 C ATOM 1056 CG LEU A 67 14.771 -7.920 14.215 1.00 63.12 C ATOM 1057 CD1 LEU A 67 13.515 -7.183 14.653 1.00 70.44 C ATOM 1058 CD2 LEU A 67 15.465 -7.172 13.086 1.00 54.42 C ATOM 0 H LEU A 67 16.079 -10.326 14.363 1.00 44.31 H new ATOM 0 HA LEU A 67 16.232 -9.388 17.047 1.00 54.33 H new ATOM 0 HB2 LEU A 67 15.583 -7.275 16.086 1.00 52.10 H new ATOM 0 HB3 LEU A 67 16.746 -8.047 15.027 1.00 52.10 H new ATOM 0 HG LEU A 67 14.480 -8.904 13.847 1.00 63.12 H new ATOM 0 HD11 LEU A 67 12.850 -7.058 13.799 1.00 70.44 H new ATOM 0 HD12 LEU A 67 13.007 -7.758 15.428 1.00 70.44 H new ATOM 0 HD13 LEU A 67 13.787 -6.204 15.047 1.00 70.44 H new ATOM 0 HD21 LEU A 67 14.773 -7.047 12.253 1.00 54.42 H new ATOM 0 HD22 LEU A 67 15.786 -6.193 13.441 1.00 54.42 H new ATOM 0 HD23 LEU A 67 16.334 -7.740 12.754 1.00 54.42 H new ATOM 1070 N ALA A 68 13.256 -10.022 15.790 1.00 12.21 N ATOM 1071 CA ALA A 68 11.853 -10.212 16.136 1.00 14.12 C ATOM 1072 C ALA A 68 11.695 -11.252 17.240 1.00 65.20 C ATOM 1073 O ALA A 68 10.727 -11.224 17.998 1.00 13.31 O ATOM 1074 CB ALA A 68 11.056 -10.621 14.906 1.00 43.42 C ATOM 0 H ALA A 68 13.491 -10.272 14.830 1.00 12.21 H new ATOM 0 HA ALA A 68 11.465 -9.264 16.508 1.00 14.12 H new ATOM 0 HB1 ALA A 68 10.010 -10.759 15.180 1.00 43.42 H new ATOM 0 HB2 ALA A 68 11.133 -9.842 14.147 1.00 43.42 H new ATOM 0 HB3 ALA A 68 11.454 -11.555 14.509 1.00 43.42 H new ATOM 1080 N GLU A 69 12.654 -12.169 17.323 1.00 21.43 N ATOM 1081 CA GLU A 69 12.620 -13.220 18.334 1.00 13.43 C ATOM 1082 C GLU A 69 13.116 -12.697 19.679 1.00 3.32 C ATOM 1083 O GLU A 69 12.780 -13.241 20.731 1.00 41.11 O ATOM 1084 CB GLU A 69 13.471 -14.412 17.892 1.00 1.25 C ATOM 1085 CG GLU A 69 12.695 -15.456 17.107 1.00 3.11 C ATOM 1086 CD GLU A 69 12.413 -16.705 17.919 1.00 74.24 C ATOM 1087 OE1 GLU A 69 13.291 -17.112 18.708 1.00 74.24 O ATOM 1088 OE2 GLU A 69 11.312 -17.276 17.764 1.00 3.32 O ATOM 0 H GLU A 69 13.463 -12.206 16.703 1.00 21.43 H new ATOM 0 HA GLU A 69 11.586 -13.545 18.449 1.00 13.43 H new ATOM 0 HB2 GLU A 69 14.298 -14.051 17.281 1.00 1.25 H new ATOM 0 HB3 GLU A 69 13.908 -14.882 18.773 1.00 1.25 H new ATOM 0 HG2 GLU A 69 11.752 -15.025 16.770 1.00 3.11 H new ATOM 0 HG3 GLU A 69 13.258 -15.727 16.214 1.00 3.11 H new ATOM 1095 N TRP A 70 13.918 -11.639 19.636 1.00 11.20 N ATOM 1096 CA TRP A 70 14.462 -11.042 20.851 1.00 72.22 C ATOM 1097 C TRP A 70 13.375 -10.869 21.906 1.00 20.31 C ATOM 1098 O TRP A 70 13.535 -11.295 23.050 1.00 30.52 O ATOM 1099 CB TRP A 70 15.104 -9.690 20.536 1.00 22.21 C ATOM 1100 CG TRP A 70 15.792 -9.070 21.715 1.00 75.41 C ATOM 1101 CD1 TRP A 70 15.210 -8.344 22.714 1.00 34.25 C ATOM 1102 CD2 TRP A 70 17.190 -9.121 22.015 1.00 5.13 C ATOM 1103 NE1 TRP A 70 16.163 -7.940 23.618 1.00 34.21 N ATOM 1104 CE2 TRP A 70 17.386 -8.405 23.212 1.00 13.44 C ATOM 1105 CE3 TRP A 70 18.297 -9.703 21.391 1.00 72.20 C ATOM 1106 CZ2 TRP A 70 18.642 -8.256 23.794 1.00 51.41 C ATOM 1107 CZ3 TRP A 70 19.543 -9.554 21.969 1.00 30.12 C ATOM 1108 CH2 TRP A 70 19.707 -8.836 23.161 1.00 4.11 C ATOM 0 H TRP A 70 14.206 -11.177 18.773 1.00 11.20 H new ATOM 0 HA TRP A 70 15.223 -11.714 21.247 1.00 72.22 H new ATOM 0 HB2 TRP A 70 15.826 -9.818 19.729 1.00 22.21 H new ATOM 0 HB3 TRP A 70 14.336 -9.007 20.172 1.00 22.21 H new ATOM 0 HD1 TRP A 70 14.156 -8.120 22.784 1.00 34.25 H new ATOM 0 HE1 TRP A 70 15.988 -7.384 24.455 1.00 34.21 H new ATOM 0 HE3 TRP A 70 18.180 -10.260 20.473 1.00 72.20 H new ATOM 0 HZ2 TRP A 70 18.771 -7.702 24.712 1.00 51.41 H new ATOM 0 HZ3 TRP A 70 20.405 -9.998 21.494 1.00 30.12 H new ATOM 0 HH2 TRP A 70 20.694 -8.739 23.589 1.00 4.11 H new ATOM 1119 N ILE A 71 12.271 -10.242 21.515 1.00 73.53 N ATOM 1120 CA ILE A 71 11.158 -10.015 22.428 1.00 74.21 C ATOM 1121 C ILE A 71 10.727 -11.313 23.103 1.00 53.10 C ATOM 1122 O ILE A 71 10.411 -11.331 24.293 1.00 30.25 O ATOM 1123 CB ILE A 71 9.947 -9.403 21.699 1.00 43.44 C ATOM 1124 CG1 ILE A 71 9.620 -10.210 20.440 1.00 3.44 C ATOM 1125 CG2 ILE A 71 10.222 -7.949 21.345 1.00 1.44 C ATOM 1126 CD1 ILE A 71 8.366 -11.046 20.568 1.00 43.33 C ATOM 0 H ILE A 71 12.123 -9.882 20.572 1.00 73.53 H new ATOM 0 HA ILE A 71 11.509 -9.313 23.185 1.00 74.21 H new ATOM 0 HB ILE A 71 9.085 -9.439 22.365 1.00 43.44 H new ATOM 0 HG12 ILE A 71 9.507 -9.526 19.599 1.00 3.44 H new ATOM 0 HG13 ILE A 71 10.461 -10.864 20.208 1.00 3.44 H new ATOM 0 HG21 ILE A 71 9.357 -7.530 20.830 1.00 1.44 H new ATOM 0 HG22 ILE A 71 10.412 -7.382 22.257 1.00 1.44 H new ATOM 0 HG23 ILE A 71 11.094 -7.892 20.694 1.00 1.44 H new ATOM 0 HD11 ILE A 71 8.196 -11.591 19.639 1.00 43.33 H new ATOM 0 HD12 ILE A 71 8.483 -11.754 21.388 1.00 43.33 H new ATOM 0 HD13 ILE A 71 7.514 -10.396 20.769 1.00 43.33 H new ATOM 1138 N LEU A 72 10.717 -12.397 22.336 1.00 25.40 N ATOM 1139 CA LEU A 72 10.327 -13.702 22.860 1.00 2.20 C ATOM 1140 C LEU A 72 11.354 -14.215 23.864 1.00 2.45 C ATOM 1141 O LEU A 72 11.000 -14.659 24.956 1.00 41.11 O ATOM 1142 CB LEU A 72 10.169 -14.706 21.717 1.00 23.11 C ATOM 1143 CG LEU A 72 9.399 -14.213 20.492 1.00 43.34 C ATOM 1144 CD1 LEU A 72 9.694 -15.092 19.286 1.00 32.24 C ATOM 1145 CD2 LEU A 72 7.905 -14.180 20.778 1.00 21.21 C ATOM 0 H LEU A 72 10.974 -12.399 21.349 1.00 25.40 H new ATOM 0 HA LEU A 72 9.371 -13.589 23.371 1.00 2.20 H new ATOM 0 HB2 LEU A 72 11.162 -15.019 21.395 1.00 23.11 H new ATOM 0 HB3 LEU A 72 9.666 -15.592 22.105 1.00 23.11 H new ATOM 0 HG LEU A 72 9.727 -13.199 20.265 1.00 43.34 H new ATOM 0 HD11 LEU A 72 9.137 -14.726 18.424 1.00 32.24 H new ATOM 0 HD12 LEU A 72 10.761 -15.063 19.067 1.00 32.24 H new ATOM 0 HD13 LEU A 72 9.395 -16.118 19.502 1.00 32.24 H new ATOM 0 HD21 LEU A 72 7.373 -13.827 19.895 1.00 21.21 H new ATOM 0 HD22 LEU A 72 7.561 -15.183 21.032 1.00 21.21 H new ATOM 0 HD23 LEU A 72 7.709 -13.507 21.613 1.00 21.21 H new ATOM 1157 N GLU A 73 12.627 -14.147 23.488 1.00 25.30 N ATOM 1158 CA GLU A 73 13.705 -14.604 24.357 1.00 5.23 C ATOM 1159 C GLU A 73 13.740 -13.796 25.651 1.00 10.14 C ATOM 1160 O GLU A 73 14.152 -14.297 26.698 1.00 1.53 O ATOM 1161 CB GLU A 73 15.052 -14.494 23.638 1.00 13.44 C ATOM 1162 CG GLU A 73 16.089 -15.488 24.133 1.00 72.04 C ATOM 1163 CD GLU A 73 17.303 -15.563 23.227 1.00 31.12 C ATOM 1164 OE1 GLU A 73 17.236 -15.032 22.099 1.00 4.32 O ATOM 1165 OE2 GLU A 73 18.320 -16.154 23.648 1.00 40.54 O ATOM 0 H GLU A 73 12.937 -13.780 22.588 1.00 25.30 H new ATOM 0 HA GLU A 73 13.518 -15.649 24.606 1.00 5.23 H new ATOM 0 HB2 GLU A 73 14.897 -14.645 22.570 1.00 13.44 H new ATOM 0 HB3 GLU A 73 15.440 -13.483 23.764 1.00 13.44 H new ATOM 0 HG2 GLU A 73 16.406 -15.207 25.137 1.00 72.04 H new ATOM 0 HG3 GLU A 73 15.634 -16.476 24.207 1.00 72.04 H new ATOM 1172 N HIS A 74 13.305 -12.542 25.571 1.00 33.44 N ATOM 1173 CA HIS A 74 13.285 -11.664 26.736 1.00 64.03 C ATOM 1174 C HIS A 74 12.372 -12.223 27.823 1.00 44.12 C ATOM 1175 O HIS A 74 11.848 -11.477 28.651 1.00 44.34 O ATOM 1176 CB HIS A 74 12.823 -10.263 26.336 1.00 41.51 C ATOM 1177 CG HIS A 74 13.284 -9.190 27.274 1.00 15.41 C ATOM 1178 ND1 HIS A 74 12.891 -7.872 27.162 1.00 61.52 N ATOM 1179 CD2 HIS A 74 14.107 -9.245 28.347 1.00 60.21 C ATOM 1180 CE1 HIS A 74 13.455 -7.164 28.124 1.00 53.01 C ATOM 1181 NE2 HIS A 74 14.197 -7.974 28.857 1.00 2.52 N ATOM 0 H HIS A 74 12.962 -12.111 24.712 1.00 33.44 H new ATOM 0 HA HIS A 74 14.298 -11.605 27.133 1.00 64.03 H new ATOM 0 HB2 HIS A 74 13.190 -10.041 25.334 1.00 41.51 H new ATOM 0 HB3 HIS A 74 11.734 -10.248 26.287 1.00 41.51 H new ATOM 0 HD2 HIS A 74 14.601 -10.125 28.731 1.00 60.21 H new ATOM 0 HE1 HIS A 74 13.330 -6.103 28.284 1.00 53.01 H new ATOM 0 HE2 HIS A 74 14.748 -7.699 29.670 1.00 2.52 H new