USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 GLN : amide:sc= 0 K(o=1.3,f=0.58) USER MOD Set 1.2: A 34 SER OG : rot 95:sc= 1.3 USER MOD Set 2.1: A 18 THR OG1 : rot -167:sc= -0.289 USER MOD Set 2.2: A 21 ASN : amide:sc= 0.958 K(o=0.67,f=-2.2!) USER MOD Set 3.1: A 11 LYS NZ :NH3+ -137:sc= 1.51 (180deg=-1.12!) USER MOD Set 3.2: A 65 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 0 SER OG : rot -36:sc= 0.343 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.071 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 115:sc= 0.646 USER MOD Single : A -1 GLY N :NH3+ -145:sc= 0.0677 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 71:sc= 0.429 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 160:sc= -0.166 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 178:sc= 0 (180deg=-0.00239) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.627 USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0.995) USER MOD Single : A 38 ASN : amide:sc= 1.09 K(o=1.1,f=-0.17) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 58 ASN : amide:sc= -0.681 K(o=-0.68,f=-4.4!) USER MOD Single : A 60 GLN : amide:sc= -0.0129 K(o=-0.013,f=-0.97) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -0.75! (180deg=-1.06!) USER MOD Single : A 68 ASN : amide:sc= -0.519 K(o=-0.52,f=-6.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 18.054 7.012 -2.109 1.00 0.00 N ATOM 2 CA GLY A -1 17.480 8.325 -2.370 1.00 0.00 C ATOM 3 C GLY A -1 16.625 8.267 -3.596 1.00 0.00 C ATOM 4 O GLY A -1 15.975 7.254 -3.834 1.00 0.00 O ATOM 0 H1 GLY A -1 18.120 6.860 -1.082 1.00 0.00 H new ATOM 0 H2 GLY A -1 17.449 6.279 -2.530 1.00 0.00 H new ATOM 0 H3 GLY A -1 19.004 6.959 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A -1 16.886 8.649 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A -1 18.274 9.060 -2.503 1.00 0.00 H new ATOM 8 N SER A 0 16.612 9.356 -4.366 1.00 0.00 N ATOM 9 CA SER A 0 15.903 9.452 -5.640 1.00 0.00 C ATOM 10 C SER A 0 14.378 9.384 -5.434 1.00 0.00 C ATOM 11 O SER A 0 13.619 9.082 -6.350 1.00 0.00 O ATOM 12 CB SER A 0 16.413 8.359 -6.613 1.00 0.00 C ATOM 13 OG SER A 0 15.910 8.528 -7.934 1.00 0.00 O ATOM 0 H SER A 0 17.105 10.213 -4.115 1.00 0.00 H new ATOM 0 HA SER A 0 16.112 10.423 -6.090 1.00 0.00 H new ATOM 0 HB2 SER A 0 17.503 8.378 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 0 16.120 7.378 -6.239 1.00 0.00 H new ATOM 0 HG SER A 0 14.991 8.865 -7.893 1.00 0.00 H new ATOM 19 N MET A 1 13.933 9.719 -4.242 1.00 0.00 N ATOM 20 CA MET A 1 12.514 9.719 -3.957 1.00 0.00 C ATOM 21 C MET A 1 12.001 11.142 -3.862 1.00 0.00 C ATOM 22 O MET A 1 10.828 11.375 -3.583 1.00 0.00 O ATOM 23 CB MET A 1 12.174 8.922 -2.685 1.00 0.00 C ATOM 24 CG MET A 1 12.809 9.446 -1.411 1.00 0.00 C ATOM 25 SD MET A 1 12.298 8.512 0.044 1.00 0.00 S ATOM 26 CE MET A 1 13.269 9.331 1.305 1.00 0.00 C ATOM 0 H MET A 1 14.528 9.993 -3.460 1.00 0.00 H new ATOM 0 HA MET A 1 12.011 9.216 -4.783 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.092 8.915 -2.557 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.485 7.887 -2.829 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.894 9.403 -1.505 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.542 10.494 -1.279 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.070 8.872 2.273 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.329 9.234 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.001 10.387 1.342 1.00 0.00 H new ATOM 36 N SER A 2 12.877 12.091 -4.141 1.00 0.00 N ATOM 37 CA SER A 2 12.534 13.490 -4.134 1.00 0.00 C ATOM 38 C SER A 2 11.893 13.897 -5.455 1.00 0.00 C ATOM 39 O SER A 2 12.458 14.634 -6.255 1.00 0.00 O ATOM 40 CB SER A 2 13.756 14.326 -3.753 1.00 0.00 C ATOM 41 OG SER A 2 14.955 13.761 -4.318 1.00 0.00 O ATOM 0 H SER A 2 13.851 11.905 -4.380 1.00 0.00 H new ATOM 0 HA SER A 2 11.779 13.683 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.628 15.349 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.847 14.373 -2.668 1.00 0.00 H new ATOM 0 HG SER A 2 15.726 14.310 -4.065 1.00 0.00 H new ATOM 47 N TYR A 3 10.728 13.338 -5.662 1.00 0.00 N ATOM 48 CA TYR A 3 9.916 13.469 -6.858 1.00 0.00 C ATOM 49 C TYR A 3 8.533 12.990 -6.452 1.00 0.00 C ATOM 50 O TYR A 3 7.745 12.491 -7.253 1.00 0.00 O ATOM 51 CB TYR A 3 10.490 12.511 -7.905 1.00 0.00 C ATOM 52 CG TYR A 3 10.978 13.148 -9.179 1.00 0.00 C ATOM 53 CD1 TYR A 3 10.621 12.620 -10.399 1.00 0.00 C ATOM 54 CD2 TYR A 3 11.795 14.267 -9.159 1.00 0.00 C ATOM 55 CE1 TYR A 3 11.059 13.180 -11.573 1.00 0.00 C ATOM 56 CE2 TYR A 3 12.242 14.844 -10.337 1.00 0.00 C ATOM 57 CZ TYR A 3 11.867 14.287 -11.544 1.00 0.00 C ATOM 58 OH TYR A 3 12.292 14.845 -12.734 1.00 0.00 O ATOM 0 H TYR A 3 10.289 12.742 -4.961 1.00 0.00 H new ATOM 0 HA TYR A 3 9.893 14.483 -7.258 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.318 11.964 -7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.724 11.778 -8.158 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.984 11.748 -10.433 1.00 0.00 H new ATOM 0 HD2 TYR A 3 12.088 14.696 -8.212 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.767 12.749 -12.519 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.876 15.718 -10.312 1.00 0.00 H new ATOM 0 HH TYR A 3 12.857 15.624 -12.547 1.00 0.00 H new ATOM 68 N ASP A 4 8.270 13.168 -5.192 1.00 0.00 N ATOM 69 CA ASP A 4 7.135 12.617 -4.499 1.00 0.00 C ATOM 70 C ASP A 4 5.903 13.500 -4.617 1.00 0.00 C ATOM 71 O ASP A 4 5.983 14.660 -5.036 1.00 0.00 O ATOM 72 CB ASP A 4 7.508 12.518 -3.036 1.00 0.00 C ATOM 73 CG ASP A 4 7.709 13.885 -2.428 1.00 0.00 C ATOM 74 OD1 ASP A 4 8.718 14.542 -2.709 1.00 0.00 O ATOM 75 OD2 ASP A 4 6.851 14.331 -1.678 1.00 0.00 O ATOM 0 H ASP A 4 8.869 13.729 -4.586 1.00 0.00 H new ATOM 0 HA ASP A 4 6.893 11.649 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.725 11.988 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.421 11.933 -2.930 1.00 0.00 H new ATOM 80 N TYR A 5 4.766 12.960 -4.201 1.00 0.00 N ATOM 81 CA TYR A 5 3.522 13.711 -4.226 1.00 0.00 C ATOM 82 C TYR A 5 3.196 14.297 -2.853 1.00 0.00 C ATOM 83 O TYR A 5 2.169 14.943 -2.684 1.00 0.00 O ATOM 84 CB TYR A 5 2.340 12.852 -4.692 1.00 0.00 C ATOM 85 CG TYR A 5 2.471 12.278 -6.084 1.00 0.00 C ATOM 86 CD1 TYR A 5 2.671 10.919 -6.282 1.00 0.00 C ATOM 87 CD2 TYR A 5 2.388 13.094 -7.196 1.00 0.00 C ATOM 88 CE1 TYR A 5 2.785 10.396 -7.556 1.00 0.00 C ATOM 89 CE2 TYR A 5 2.501 12.581 -8.468 1.00 0.00 C ATOM 90 CZ TYR A 5 2.699 11.234 -8.646 1.00 0.00 C ATOM 91 OH TYR A 5 2.813 10.719 -9.926 1.00 0.00 O ATOM 0 H TYR A 5 4.681 12.008 -3.844 1.00 0.00 H new ATOM 0 HA TYR A 5 3.672 14.521 -4.940 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.209 12.030 -3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.434 13.456 -4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.738 10.261 -5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.231 14.154 -7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.941 9.337 -7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.434 13.236 -9.324 1.00 0.00 H new ATOM 0 HH TYR A 5 2.728 11.445 -10.579 1.00 0.00 H new ATOM 101 N SER A 6 4.082 14.129 -1.897 1.00 0.00 N ATOM 102 CA SER A 6 3.858 14.649 -0.569 1.00 0.00 C ATOM 103 C SER A 6 4.223 16.130 -0.571 1.00 0.00 C ATOM 104 O SER A 6 3.554 16.945 0.060 1.00 0.00 O ATOM 105 CB SER A 6 4.659 13.846 0.470 1.00 0.00 C ATOM 106 OG SER A 6 4.432 14.318 1.785 1.00 0.00 O ATOM 0 H SER A 6 4.966 13.635 -2.016 1.00 0.00 H new ATOM 0 HA SER A 6 2.810 14.547 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.382 12.793 0.408 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.722 13.910 0.239 1.00 0.00 H new ATOM 0 HG SER A 6 4.955 13.784 2.419 1.00 0.00 H new ATOM 112 N SER A 7 5.269 16.464 -1.320 1.00 0.00 N ATOM 113 CA SER A 7 5.663 17.841 -1.573 1.00 0.00 C ATOM 114 C SER A 7 4.525 18.557 -2.299 1.00 0.00 C ATOM 115 O SER A 7 4.226 19.728 -2.044 1.00 0.00 O ATOM 116 CB SER A 7 6.912 17.840 -2.447 1.00 0.00 C ATOM 117 OG SER A 7 7.978 17.137 -1.809 1.00 0.00 O ATOM 0 H SER A 7 5.872 15.777 -1.772 1.00 0.00 H new ATOM 0 HA SER A 7 5.874 18.355 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.688 17.376 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.218 18.866 -2.652 1.00 0.00 H new ATOM 0 HG SER A 7 8.194 16.332 -2.325 1.00 0.00 H new ATOM 123 N LEU A 8 3.875 17.812 -3.183 1.00 0.00 N ATOM 124 CA LEU A 8 2.736 18.293 -3.910 1.00 0.00 C ATOM 125 C LEU A 8 1.632 18.620 -2.949 1.00 0.00 C ATOM 126 O LEU A 8 1.138 19.748 -2.936 1.00 0.00 O ATOM 127 CB LEU A 8 2.280 17.250 -4.922 1.00 0.00 C ATOM 128 CG LEU A 8 1.010 17.564 -5.721 1.00 0.00 C ATOM 129 CD1 LEU A 8 1.046 18.962 -6.315 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.853 16.546 -6.812 1.00 0.00 C ATOM 0 H LEU A 8 4.135 16.852 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 8 3.008 19.197 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.093 17.086 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.123 16.310 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 8 0.159 17.522 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.128 19.144 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.135 19.696 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.901 19.051 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.049 16.763 -7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.720 16.583 -7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.773 15.551 -6.373 1.00 0.00 H new ATOM 142 N LEU A 9 1.290 17.644 -2.116 1.00 0.00 N ATOM 143 CA LEU A 9 0.289 17.782 -1.109 1.00 0.00 C ATOM 144 C LEU A 9 0.587 18.964 -0.202 1.00 0.00 C ATOM 145 O LEU A 9 -0.326 19.675 0.235 1.00 0.00 O ATOM 146 CB LEU A 9 0.227 16.508 -0.289 1.00 0.00 C ATOM 147 CG LEU A 9 -0.366 15.270 -0.951 1.00 0.00 C ATOM 148 CD1 LEU A 9 -0.269 14.074 -0.018 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.808 15.517 -1.330 1.00 0.00 C ATOM 0 H LEU A 9 1.721 16.720 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.671 17.960 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.240 16.265 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.350 16.716 0.612 1.00 0.00 H new ATOM 0 HG LEU A 9 0.203 15.056 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.697 13.197 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.777 13.883 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.818 14.283 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.218 14.624 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.384 15.752 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.863 16.353 -2.027 1.00 0.00 H new ATOM 161 N GLY A 10 1.864 19.163 0.052 1.00 0.00 N ATOM 162 CA GLY A 10 2.324 20.245 0.849 1.00 0.00 C ATOM 163 C GLY A 10 1.948 21.589 0.276 1.00 0.00 C ATOM 164 O GLY A 10 1.364 22.418 0.989 1.00 0.00 O ATOM 0 H GLY A 10 2.609 18.562 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.910 20.154 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.408 20.186 0.945 1.00 0.00 H new ATOM 168 N LYS A 11 2.231 21.830 -1.015 1.00 0.00 N ATOM 169 CA LYS A 11 1.958 23.089 -1.553 1.00 0.00 C ATOM 170 C LYS A 11 0.436 23.229 -1.768 1.00 0.00 C ATOM 171 O LYS A 11 -0.092 24.331 -1.769 1.00 0.00 O ATOM 172 CB LYS A 11 2.801 23.329 -2.828 1.00 0.00 C ATOM 173 CG LYS A 11 2.490 22.590 -4.097 1.00 0.00 C ATOM 174 CD LYS A 11 1.311 23.282 -4.751 1.00 0.00 C ATOM 175 CE LYS A 11 1.219 23.035 -6.251 1.00 0.00 C ATOM 176 NZ LYS A 11 2.250 23.831 -6.996 1.00 0.00 N ATOM 0 H LYS A 11 2.641 21.156 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 11 2.253 23.876 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.746 24.394 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.838 23.110 -2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.353 22.592 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.253 21.547 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.391 22.941 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.383 24.355 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.357 21.973 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.223 23.302 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.819 24.250 -7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.614 24.588 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.033 23.207 -7.278 1.00 0.00 H new ATOM 190 N ILE A 12 -0.260 22.085 -1.924 1.00 0.00 N ATOM 191 CA ILE A 12 -1.720 22.053 -2.046 1.00 0.00 C ATOM 192 C ILE A 12 -2.359 22.657 -0.794 1.00 0.00 C ATOM 193 O ILE A 12 -3.342 23.393 -0.882 1.00 0.00 O ATOM 194 CB ILE A 12 -2.258 20.597 -2.275 1.00 0.00 C ATOM 195 CG1 ILE A 12 -1.758 20.057 -3.620 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.788 20.552 -2.212 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.164 18.624 -3.924 1.00 0.00 C ATOM 0 H ILE A 12 0.177 21.165 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.993 22.644 -2.920 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.876 19.963 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.131 20.702 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.670 20.123 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.129 19.530 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.122 20.895 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.203 21.200 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.765 18.331 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.767 17.962 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.251 18.550 -3.941 1.00 0.00 H new ATOM 209 N THR A 13 -1.769 22.389 0.351 1.00 0.00 N ATOM 210 CA THR A 13 -2.240 22.915 1.617 1.00 0.00 C ATOM 211 C THR A 13 -2.170 24.454 1.644 1.00 0.00 C ATOM 212 O THR A 13 -3.047 25.133 2.190 1.00 0.00 O ATOM 213 CB THR A 13 -1.389 22.343 2.761 1.00 0.00 C ATOM 214 OG1 THR A 13 -1.415 20.911 2.683 1.00 0.00 O ATOM 215 CG2 THR A 13 -1.924 22.779 4.113 1.00 0.00 C ATOM 0 H THR A 13 -0.943 21.796 0.432 1.00 0.00 H new ATOM 0 HA THR A 13 -3.281 22.618 1.742 1.00 0.00 H new ATOM 0 HB THR A 13 -0.370 22.716 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.891 20.616 1.909 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.302 22.359 4.903 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.907 23.867 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.948 22.425 4.231 1.00 0.00 H new ATOM 223 N GLU A 14 -1.169 24.983 1.015 1.00 0.00 N ATOM 224 CA GLU A 14 -0.944 26.393 0.999 1.00 0.00 C ATOM 225 C GLU A 14 -1.617 27.099 -0.179 1.00 0.00 C ATOM 226 O GLU A 14 -1.701 28.329 -0.220 1.00 0.00 O ATOM 227 CB GLU A 14 0.525 26.687 1.120 1.00 0.00 C ATOM 228 CG GLU A 14 1.080 26.337 2.498 1.00 0.00 C ATOM 229 CD GLU A 14 2.566 26.546 2.639 1.00 0.00 C ATOM 230 OE1 GLU A 14 3.315 25.547 2.632 1.00 0.00 O ATOM 231 OE2 GLU A 14 3.013 27.700 2.816 1.00 0.00 O ATOM 0 H GLU A 14 -0.479 24.443 0.493 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.434 26.819 1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.068 26.126 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.698 27.744 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.567 26.940 3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.849 25.294 2.716 1.00 0.00 H new ATOM 238 N LYS A 15 -2.068 26.329 -1.152 1.00 0.00 N ATOM 239 CA LYS A 15 -2.696 26.860 -2.314 1.00 0.00 C ATOM 240 C LYS A 15 -4.197 26.744 -2.241 1.00 0.00 C ATOM 241 O LYS A 15 -4.930 27.653 -2.626 1.00 0.00 O ATOM 242 CB LYS A 15 -2.186 26.112 -3.519 1.00 0.00 C ATOM 243 CG LYS A 15 -1.290 26.942 -4.408 1.00 0.00 C ATOM 244 CD LYS A 15 -0.029 27.359 -3.667 1.00 0.00 C ATOM 245 CE LYS A 15 0.699 28.449 -4.410 1.00 0.00 C ATOM 246 NZ LYS A 15 1.896 28.922 -3.690 1.00 0.00 N ATOM 0 H LYS A 15 -2.001 25.311 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.454 27.920 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.638 25.231 -3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.035 25.757 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.023 26.371 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.827 27.828 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.289 27.707 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.627 26.497 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.992 28.081 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.022 29.288 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.360 29.671 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.616 29.299 -2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.557 28.130 -3.557 1.00 0.00 H new ATOM 260 N CYS A 16 -4.642 25.636 -1.754 1.00 0.00 N ATOM 261 CA CYS A 16 -5.994 25.336 -1.679 1.00 0.00 C ATOM 262 C CYS A 16 -6.358 25.112 -0.241 1.00 0.00 C ATOM 263 O CYS A 16 -7.282 25.722 0.279 1.00 0.00 O ATOM 264 CB CYS A 16 -6.226 24.081 -2.479 1.00 0.00 C ATOM 265 SG CYS A 16 -5.885 24.239 -4.243 1.00 0.00 S ATOM 0 H CYS A 16 -4.036 24.901 -1.389 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.606 26.147 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.601 23.286 -2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.263 23.770 -2.349 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.699 23.059 -4.756 1.00 0.00 H new ATOM 271 N GLY A 17 -5.609 24.256 0.413 1.00 0.00 N ATOM 272 CA GLY A 17 -5.876 23.947 1.771 1.00 0.00 C ATOM 273 C GLY A 17 -5.688 22.497 2.054 1.00 0.00 C ATOM 274 O GLY A 17 -4.930 22.125 2.941 1.00 0.00 O ATOM 0 H GLY A 17 -4.809 23.766 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.217 24.531 2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.898 24.236 2.016 1.00 0.00 H new ATOM 278 N THR A 18 -6.341 21.693 1.264 1.00 0.00 N ATOM 279 CA THR A 18 -6.358 20.238 1.387 1.00 0.00 C ATOM 280 C THR A 18 -6.722 19.647 0.035 1.00 0.00 C ATOM 281 O THR A 18 -6.955 20.404 -0.929 1.00 0.00 O ATOM 282 CB THR A 18 -7.445 19.783 2.396 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.706 20.380 2.040 1.00 0.00 O ATOM 284 CG2 THR A 18 -7.080 20.140 3.822 1.00 0.00 C ATOM 0 H THR A 18 -6.902 22.032 0.482 1.00 0.00 H new ATOM 0 HA THR A 18 -5.378 19.906 1.729 1.00 0.00 H new ATOM 0 HB THR A 18 -7.521 18.697 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.341 20.267 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.869 19.803 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.142 19.654 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.966 21.221 3.909 1.00 0.00 H new ATOM 292 N GLN A 19 -6.810 18.318 -0.035 1.00 0.00 N ATOM 293 CA GLN A 19 -7.234 17.628 -1.253 1.00 0.00 C ATOM 294 C GLN A 19 -8.706 17.941 -1.537 1.00 0.00 C ATOM 295 O GLN A 19 -9.150 17.945 -2.685 1.00 0.00 O ATOM 296 CB GLN A 19 -7.045 16.118 -1.118 1.00 0.00 C ATOM 297 CG GLN A 19 -5.606 15.680 -0.904 1.00 0.00 C ATOM 298 CD GLN A 19 -5.467 14.171 -0.773 1.00 0.00 C ATOM 299 OE1 GLN A 19 -6.242 13.411 -1.339 1.00 0.00 O ATOM 300 NE2 GLN A 19 -4.484 13.732 -0.023 1.00 0.00 N ATOM 0 H GLN A 19 -6.592 17.695 0.743 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.618 17.979 -2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.648 15.762 -0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.429 15.635 -2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.997 16.026 -1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.215 16.157 -0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.857 14.394 0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.347 12.729 0.103 1.00 0.00 H new ATOM 309 N TYR A 20 -9.439 18.213 -0.467 1.00 0.00 N ATOM 310 CA TYR A 20 -10.832 18.590 -0.538 1.00 0.00 C ATOM 311 C TYR A 20 -10.949 19.900 -1.264 1.00 0.00 C ATOM 312 O TYR A 20 -11.578 19.994 -2.296 1.00 0.00 O ATOM 313 CB TYR A 20 -11.375 18.767 0.872 1.00 0.00 C ATOM 314 CG TYR A 20 -12.845 19.117 0.941 1.00 0.00 C ATOM 315 CD1 TYR A 20 -13.816 18.174 0.667 1.00 0.00 C ATOM 316 CD2 TYR A 20 -13.253 20.394 1.295 1.00 0.00 C ATOM 317 CE1 TYR A 20 -15.159 18.489 0.743 1.00 0.00 C ATOM 318 CE2 TYR A 20 -14.588 20.721 1.371 1.00 0.00 C ATOM 319 CZ TYR A 20 -15.539 19.767 1.097 1.00 0.00 C ATOM 320 OH TYR A 20 -16.880 20.096 1.170 1.00 0.00 O ATOM 0 H TYR A 20 -9.073 18.176 0.484 1.00 0.00 H new ATOM 0 HA TYR A 20 -11.394 17.817 -1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.208 17.846 1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.805 19.550 1.371 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.520 17.173 0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.510 21.146 1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.906 17.740 0.527 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.887 21.722 1.645 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.972 21.035 1.434 1.00 0.00 H new ATOM 330 N ASN A 21 -10.312 20.897 -0.701 1.00 0.00 N ATOM 331 CA ASN A 21 -10.290 22.263 -1.241 1.00 0.00 C ATOM 332 C ASN A 21 -9.809 22.286 -2.693 1.00 0.00 C ATOM 333 O ASN A 21 -10.319 23.058 -3.509 1.00 0.00 O ATOM 334 CB ASN A 21 -9.372 23.142 -0.413 1.00 0.00 C ATOM 335 CG ASN A 21 -9.849 23.431 1.001 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.574 22.653 1.609 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.416 24.534 1.539 1.00 0.00 N ATOM 0 H ASN A 21 -9.779 20.795 0.163 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.311 22.642 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.393 22.666 -0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.237 24.090 -0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.679 24.773 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.813 25.160 1.005 1.00 0.00 H new ATOM 344 N PHE A 22 -8.802 21.454 -2.982 1.00 0.00 N ATOM 345 CA PHE A 22 -8.278 21.240 -4.345 1.00 0.00 C ATOM 346 C PHE A 22 -9.447 20.940 -5.258 1.00 0.00 C ATOM 347 O PHE A 22 -9.692 21.651 -6.239 1.00 0.00 O ATOM 348 CB PHE A 22 -7.355 20.002 -4.329 1.00 0.00 C ATOM 349 CG PHE A 22 -6.565 19.693 -5.605 1.00 0.00 C ATOM 350 CD1 PHE A 22 -5.203 19.523 -5.545 1.00 0.00 C ATOM 351 CD2 PHE A 22 -7.186 19.547 -6.841 1.00 0.00 C ATOM 352 CE1 PHE A 22 -4.468 19.214 -6.677 1.00 0.00 C ATOM 353 CE2 PHE A 22 -6.459 19.246 -7.974 1.00 0.00 C ATOM 354 CZ PHE A 22 -5.099 19.077 -7.891 1.00 0.00 C ATOM 0 H PHE A 22 -8.320 20.902 -2.272 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.733 22.120 -4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.642 20.124 -3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.965 19.130 -4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.696 19.632 -4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.256 19.671 -6.915 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.399 19.081 -6.606 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.959 19.143 -8.926 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.527 18.837 -8.775 1.00 0.00 H new ATOM 364 N ALA A 23 -10.176 19.893 -4.888 1.00 0.00 N ATOM 365 CA ALA A 23 -11.322 19.414 -5.636 1.00 0.00 C ATOM 366 C ALA A 23 -12.332 20.529 -5.846 1.00 0.00 C ATOM 367 O ALA A 23 -12.808 20.735 -6.951 1.00 0.00 O ATOM 368 CB ALA A 23 -11.992 18.286 -4.881 1.00 0.00 C ATOM 0 H ALA A 23 -9.981 19.349 -4.048 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.971 19.061 -6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.852 17.930 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.284 17.469 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.323 18.646 -3.907 1.00 0.00 H new ATOM 374 N ILE A 24 -12.617 21.257 -4.771 1.00 0.00 N ATOM 375 CA ILE A 24 -13.583 22.344 -4.755 1.00 0.00 C ATOM 376 C ILE A 24 -13.249 23.412 -5.794 1.00 0.00 C ATOM 377 O ILE A 24 -14.067 23.742 -6.642 1.00 0.00 O ATOM 378 CB ILE A 24 -13.592 23.014 -3.368 1.00 0.00 C ATOM 379 CG1 ILE A 24 -13.852 21.985 -2.269 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.619 24.139 -3.300 1.00 0.00 C ATOM 381 CD1 ILE A 24 -15.180 21.280 -2.335 1.00 0.00 C ATOM 0 H ILE A 24 -12.171 21.102 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.557 21.914 -4.987 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.606 23.450 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.061 21.235 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.774 22.485 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.599 24.590 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.380 24.895 -4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.613 23.737 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.258 20.573 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.984 22.012 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.260 20.743 -3.280 1.00 0.00 H new ATOM 393 N ALA A 25 -12.029 23.912 -5.734 1.00 0.00 N ATOM 394 CA ALA A 25 -11.602 25.006 -6.590 1.00 0.00 C ATOM 395 C ALA A 25 -11.391 24.564 -8.041 1.00 0.00 C ATOM 396 O ALA A 25 -11.414 25.392 -8.959 1.00 0.00 O ATOM 397 CB ALA A 25 -10.346 25.648 -6.026 1.00 0.00 C ATOM 0 H ALA A 25 -11.309 23.575 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.403 25.745 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.033 26.467 -6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.551 26.034 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.551 24.905 -5.971 1.00 0.00 H new ATOM 403 N MET A 26 -11.152 23.279 -8.239 1.00 0.00 N ATOM 404 CA MET A 26 -10.976 22.735 -9.534 1.00 0.00 C ATOM 405 C MET A 26 -12.321 22.385 -10.172 1.00 0.00 C ATOM 406 O MET A 26 -12.510 22.551 -11.378 1.00 0.00 O ATOM 407 CB MET A 26 -10.141 21.499 -9.428 1.00 0.00 C ATOM 408 CG MET A 26 -9.566 21.140 -10.731 1.00 0.00 C ATOM 409 SD MET A 26 -8.498 19.712 -10.684 1.00 0.00 S ATOM 410 CE MET A 26 -8.052 19.645 -12.403 1.00 0.00 C ATOM 0 H MET A 26 -11.078 22.595 -7.486 1.00 0.00 H new ATOM 0 HA MET A 26 -10.484 23.477 -10.163 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.341 21.657 -8.704 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.750 20.675 -9.056 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.377 20.952 -11.435 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.002 21.990 -11.114 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.351 18.827 -12.565 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.946 19.482 -13.005 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.585 20.586 -12.695 1.00 0.00 H new ATOM 420 N GLY A 27 -13.244 21.919 -9.357 1.00 0.00 N ATOM 421 CA GLY A 27 -14.542 21.509 -9.847 1.00 0.00 C ATOM 422 C GLY A 27 -14.674 19.998 -9.895 1.00 0.00 C ATOM 423 O GLY A 27 -15.461 19.447 -10.677 1.00 0.00 O ATOM 0 H GLY A 27 -13.118 21.815 -8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.320 21.922 -9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.701 21.920 -10.844 1.00 0.00 H new ATOM 427 N LEU A 28 -13.915 19.331 -9.059 1.00 0.00 N ATOM 428 CA LEU A 28 -13.907 17.880 -8.983 1.00 0.00 C ATOM 429 C LEU A 28 -14.591 17.397 -7.732 1.00 0.00 C ATOM 430 O LEU A 28 -14.873 18.172 -6.817 1.00 0.00 O ATOM 431 CB LEU A 28 -12.470 17.345 -8.951 1.00 0.00 C ATOM 432 CG LEU A 28 -11.643 17.463 -10.218 1.00 0.00 C ATOM 433 CD1 LEU A 28 -10.264 16.900 -9.972 1.00 0.00 C ATOM 434 CD2 LEU A 28 -12.293 16.690 -11.321 1.00 0.00 C ATOM 0 H LEU A 28 -13.277 19.781 -8.403 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.434 17.517 -9.866 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.937 17.863 -8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.511 16.291 -8.675 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.571 18.513 -10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.669 16.984 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.781 17.458 -9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.345 15.851 -9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.695 16.778 -12.228 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.367 15.641 -11.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.291 17.087 -11.504 1.00 0.00 H new ATOM 446 N SER A 29 -14.851 16.120 -7.702 1.00 0.00 N ATOM 447 CA SER A 29 -15.310 15.467 -6.515 1.00 0.00 C ATOM 448 C SER A 29 -14.019 15.044 -5.825 1.00 0.00 C ATOM 449 O SER A 29 -13.083 14.605 -6.523 1.00 0.00 O ATOM 450 CB SER A 29 -16.140 14.240 -6.904 1.00 0.00 C ATOM 451 OG SER A 29 -16.860 13.694 -5.814 1.00 0.00 O ATOM 0 H SER A 29 -14.749 15.502 -8.507 1.00 0.00 H new ATOM 0 HA SER A 29 -15.939 16.092 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.839 14.516 -7.693 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.480 13.477 -7.316 1.00 0.00 H new ATOM 0 HG SER A 29 -17.373 12.916 -6.118 1.00 0.00 H new ATOM 457 N GLU A 30 -13.939 15.145 -4.511 1.00 0.00 N ATOM 458 CA GLU A 30 -12.661 14.941 -3.827 1.00 0.00 C ATOM 459 C GLU A 30 -12.088 13.572 -3.998 1.00 0.00 C ATOM 460 O GLU A 30 -10.869 13.419 -4.114 1.00 0.00 O ATOM 461 CB GLU A 30 -12.642 15.428 -2.377 1.00 0.00 C ATOM 462 CG GLU A 30 -13.571 14.767 -1.392 1.00 0.00 C ATOM 463 CD GLU A 30 -13.239 13.341 -1.047 1.00 0.00 C ATOM 464 OE1 GLU A 30 -12.067 13.048 -0.735 1.00 0.00 O ATOM 465 OE2 GLU A 30 -14.162 12.497 -1.024 1.00 0.00 O ATOM 0 H GLU A 30 -14.725 15.363 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.973 15.602 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.625 15.317 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.865 16.495 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.576 15.353 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.583 14.799 -1.796 1.00 0.00 H new ATOM 472 N ARG A 31 -12.948 12.579 -4.093 1.00 0.00 N ATOM 473 CA ARG A 31 -12.509 11.249 -4.267 1.00 0.00 C ATOM 474 C ARG A 31 -11.852 11.070 -5.621 1.00 0.00 C ATOM 475 O ARG A 31 -10.868 10.375 -5.731 1.00 0.00 O ATOM 476 CB ARG A 31 -13.647 10.255 -4.086 1.00 0.00 C ATOM 477 CG ARG A 31 -13.828 9.727 -2.669 1.00 0.00 C ATOM 478 CD ARG A 31 -12.642 8.863 -2.267 1.00 0.00 C ATOM 479 NE ARG A 31 -12.759 8.317 -0.910 1.00 0.00 N ATOM 480 CZ ARG A 31 -11.944 7.386 -0.392 1.00 0.00 C ATOM 481 NH1 ARG A 31 -11.060 6.773 -1.167 1.00 0.00 N ATOM 482 NH2 ARG A 31 -12.049 7.039 0.885 1.00 0.00 N ATOM 0 H ARG A 31 -13.961 12.691 -4.050 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.767 11.046 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.576 10.730 -4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.479 9.409 -4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.930 10.561 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.747 9.145 -2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.543 8.041 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.729 9.455 -2.336 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.512 8.670 -0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.000 7.009 -2.157 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.440 6.065 -0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.752 7.481 1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.427 6.330 1.274 1.00 0.00 H new ATOM 496 N THR A 32 -12.343 11.791 -6.614 1.00 0.00 N ATOM 497 CA THR A 32 -11.879 11.661 -7.972 1.00 0.00 C ATOM 498 C THR A 32 -10.442 12.145 -8.071 1.00 0.00 C ATOM 499 O THR A 32 -9.576 11.479 -8.657 1.00 0.00 O ATOM 500 CB THR A 32 -12.779 12.486 -8.908 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.151 12.150 -8.652 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.447 12.195 -10.360 1.00 0.00 C ATOM 0 H THR A 32 -13.080 12.486 -6.493 1.00 0.00 H new ATOM 0 HA THR A 32 -11.922 10.613 -8.270 1.00 0.00 H new ATOM 0 HB THR A 32 -12.611 13.547 -8.721 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.732 12.673 -9.243 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.094 12.788 -11.007 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.406 12.452 -10.554 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.603 11.136 -10.564 1.00 0.00 H new ATOM 510 N VAL A 33 -10.196 13.278 -7.448 1.00 0.00 N ATOM 511 CA VAL A 33 -8.889 13.884 -7.399 1.00 0.00 C ATOM 512 C VAL A 33 -7.981 12.950 -6.688 1.00 0.00 C ATOM 513 O VAL A 33 -6.897 12.628 -7.166 1.00 0.00 O ATOM 514 CB VAL A 33 -8.904 15.158 -6.563 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.897 16.118 -7.027 1.00 0.00 C ATOM 516 CG2 VAL A 33 -10.227 15.773 -6.522 1.00 0.00 C ATOM 0 H VAL A 33 -10.913 13.810 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.576 14.104 -8.420 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.648 14.866 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.936 17.014 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.906 15.670 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.099 16.384 -8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.189 16.678 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.541 16.028 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.940 15.073 -6.086 1.00 0.00 H new ATOM 526 N SER A 34 -8.476 12.476 -5.562 1.00 0.00 N ATOM 527 CA SER A 34 -7.746 11.622 -4.707 1.00 0.00 C ATOM 528 C SER A 34 -7.297 10.353 -5.419 1.00 0.00 C ATOM 529 O SER A 34 -6.176 9.949 -5.287 1.00 0.00 O ATOM 530 CB SER A 34 -8.553 11.259 -3.471 1.00 0.00 C ATOM 531 OG SER A 34 -8.890 12.409 -2.697 1.00 0.00 O ATOM 0 H SER A 34 -9.416 12.690 -5.228 1.00 0.00 H new ATOM 0 HA SER A 34 -6.857 12.173 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.465 10.744 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.982 10.563 -2.857 1.00 0.00 H new ATOM 0 HG SER A 34 -9.785 12.721 -2.947 1.00 0.00 H new ATOM 537 N LEU A 35 -8.171 9.760 -6.214 1.00 0.00 N ATOM 538 CA LEU A 35 -7.850 8.510 -6.875 1.00 0.00 C ATOM 539 C LEU A 35 -6.741 8.688 -7.910 1.00 0.00 C ATOM 540 O LEU A 35 -5.866 7.817 -8.048 1.00 0.00 O ATOM 541 CB LEU A 35 -9.092 7.898 -7.504 1.00 0.00 C ATOM 542 CG LEU A 35 -10.272 7.687 -6.564 1.00 0.00 C ATOM 543 CD1 LEU A 35 -11.437 7.056 -7.285 1.00 0.00 C ATOM 544 CD2 LEU A 35 -9.881 6.892 -5.324 1.00 0.00 C ATOM 0 H LEU A 35 -9.103 10.122 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.477 7.822 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.415 8.539 -8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.821 6.936 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.590 8.671 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.264 6.918 -6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.754 7.705 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.135 6.089 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.753 6.766 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.506 5.913 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.104 7.428 -4.779 1.00 0.00 H new ATOM 556 N LYS A 36 -6.767 9.816 -8.622 1.00 0.00 N ATOM 557 CA LYS A 36 -5.764 10.138 -9.612 1.00 0.00 C ATOM 558 C LYS A 36 -4.451 10.442 -8.951 1.00 0.00 C ATOM 559 O LYS A 36 -3.387 10.037 -9.404 1.00 0.00 O ATOM 560 CB LYS A 36 -6.195 11.352 -10.372 1.00 0.00 C ATOM 561 CG LYS A 36 -7.346 11.123 -11.303 1.00 0.00 C ATOM 562 CD LYS A 36 -8.072 12.395 -11.463 1.00 0.00 C ATOM 563 CE LYS A 36 -9.341 12.242 -12.286 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.073 11.996 -13.720 1.00 0.00 N ATOM 0 H LYS A 36 -7.491 10.528 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.648 9.283 -10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.468 12.133 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.348 11.726 -10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.988 10.766 -12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.009 10.355 -10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.326 12.791 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.419 13.125 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.930 11.417 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.945 13.144 -12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.849 11.437 -14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.001 12.905 -14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.180 11.473 -13.822 1.00 0.00 H new ATOM 578 N LEU A 37 -4.557 11.158 -7.872 1.00 0.00 N ATOM 579 CA LEU A 37 -3.435 11.624 -7.121 1.00 0.00 C ATOM 580 C LEU A 37 -2.808 10.515 -6.320 1.00 0.00 C ATOM 581 O LEU A 37 -1.591 10.516 -6.086 1.00 0.00 O ATOM 582 CB LEU A 37 -3.892 12.768 -6.216 1.00 0.00 C ATOM 583 CG LEU A 37 -2.877 13.427 -5.344 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.085 14.414 -6.114 1.00 0.00 C ATOM 585 CD2 LEU A 37 -3.519 14.047 -4.132 1.00 0.00 C ATOM 0 H LEU A 37 -5.455 11.441 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.669 11.985 -7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.336 13.536 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.686 12.387 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.189 12.662 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.351 14.882 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.571 13.909 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.749 15.177 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.754 14.519 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.244 14.797 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.025 13.274 -3.553 1.00 0.00 H new ATOM 597 N ASN A 38 -3.600 9.566 -5.920 1.00 0.00 N ATOM 598 CA ASN A 38 -3.098 8.540 -5.078 1.00 0.00 C ATOM 599 C ASN A 38 -2.531 7.378 -5.860 1.00 0.00 C ATOM 600 O ASN A 38 -1.307 7.222 -5.922 1.00 0.00 O ATOM 601 CB ASN A 38 -4.131 8.060 -4.049 1.00 0.00 C ATOM 602 CG ASN A 38 -3.500 7.270 -2.895 1.00 0.00 C ATOM 603 OD1 ASN A 38 -3.023 7.852 -1.909 1.00 0.00 O ATOM 604 ND2 ASN A 38 -3.543 5.972 -2.966 1.00 0.00 N ATOM 0 H ASN A 38 -4.587 9.487 -6.164 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.276 8.992 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.662 8.922 -3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.871 7.435 -4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.179 5.407 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.941 5.519 -3.789 1.00 0.00 H new ATOM 611 N ASP A 39 -3.382 6.604 -6.534 1.00 0.00 N ATOM 612 CA ASP A 39 -2.882 5.334 -7.087 1.00 0.00 C ATOM 613 C ASP A 39 -3.774 4.696 -8.147 1.00 0.00 C ATOM 614 O ASP A 39 -3.316 3.786 -8.835 1.00 0.00 O ATOM 615 CB ASP A 39 -2.709 4.296 -5.958 1.00 0.00 C ATOM 616 CG ASP A 39 -4.038 3.771 -5.429 1.00 0.00 C ATOM 617 OD1 ASP A 39 -4.807 4.546 -4.832 1.00 0.00 O ATOM 618 OD2 ASP A 39 -4.319 2.564 -5.576 1.00 0.00 O ATOM 0 H ASP A 39 -4.366 6.811 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.939 5.599 -7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.115 3.460 -6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.150 4.747 -5.138 1.00 0.00 H new ATOM 623 N LYS A 40 -5.026 5.117 -8.304 1.00 0.00 N ATOM 624 CA LYS A 40 -5.881 4.406 -9.197 1.00 0.00 C ATOM 625 C LYS A 40 -5.831 4.949 -10.558 1.00 0.00 C ATOM 626 O LYS A 40 -5.856 4.201 -11.526 1.00 0.00 O ATOM 627 CB LYS A 40 -7.320 4.453 -8.762 1.00 0.00 C ATOM 628 CG LYS A 40 -7.600 3.924 -7.363 1.00 0.00 C ATOM 629 CD LYS A 40 -9.098 3.794 -7.118 1.00 0.00 C ATOM 630 CE LYS A 40 -9.386 3.233 -5.735 1.00 0.00 C ATOM 631 NZ LYS A 40 -10.836 3.086 -5.465 1.00 0.00 N ATOM 0 H LYS A 40 -5.444 5.921 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.513 3.380 -9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.664 5.486 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.915 3.881 -9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.121 2.953 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.164 4.595 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.572 4.770 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.537 3.144 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.902 2.262 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.946 3.888 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.974 2.700 -4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.298 4.015 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.255 2.439 -6.163 1.00 0.00 H new ATOM 645 N VAL A 41 -5.755 6.241 -10.669 1.00 0.00 N ATOM 646 CA VAL A 41 -5.974 6.782 -11.945 1.00 0.00 C ATOM 647 C VAL A 41 -4.803 7.615 -12.394 1.00 0.00 C ATOM 648 O VAL A 41 -3.907 7.934 -11.606 1.00 0.00 O ATOM 649 CB VAL A 41 -7.273 7.613 -12.011 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.016 7.176 -13.184 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.146 7.446 -10.807 1.00 0.00 C ATOM 0 H VAL A 41 -5.552 6.902 -9.920 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.084 5.937 -12.625 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.994 8.666 -12.057 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.943 7.745 -13.261 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.414 7.340 -14.078 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.248 6.115 -13.093 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.041 8.058 -10.919 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.432 6.399 -10.707 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.601 7.760 -9.916 1.00 0.00 H new ATOM 661 N THR A 42 -4.820 7.959 -13.639 1.00 0.00 N ATOM 662 CA THR A 42 -3.763 8.696 -14.266 1.00 0.00 C ATOM 663 C THR A 42 -4.201 10.163 -14.461 1.00 0.00 C ATOM 664 O THR A 42 -5.396 10.487 -14.344 1.00 0.00 O ATOM 665 CB THR A 42 -3.513 8.077 -15.649 1.00 0.00 C ATOM 666 OG1 THR A 42 -3.615 6.652 -15.548 1.00 0.00 O ATOM 667 CG2 THR A 42 -2.132 8.407 -16.154 1.00 0.00 C ATOM 0 H THR A 42 -5.589 7.731 -14.269 1.00 0.00 H new ATOM 0 HA THR A 42 -2.865 8.661 -13.649 1.00 0.00 H new ATOM 0 HB THR A 42 -4.253 8.482 -16.339 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.458 6.250 -16.428 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.986 7.955 -17.135 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.022 9.489 -16.233 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.388 8.017 -15.460 1.00 0.00 H new ATOM 675 N TRP A 43 -3.250 11.028 -14.735 1.00 0.00 N ATOM 676 CA TRP A 43 -3.537 12.400 -15.079 1.00 0.00 C ATOM 677 C TRP A 43 -3.349 12.603 -16.556 1.00 0.00 C ATOM 678 O TRP A 43 -2.300 12.270 -17.114 1.00 0.00 O ATOM 679 CB TRP A 43 -2.640 13.406 -14.355 1.00 0.00 C ATOM 680 CG TRP A 43 -2.921 13.610 -12.907 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.022 14.203 -12.361 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.060 13.287 -11.825 1.00 0.00 C ATOM 683 NE1 TRP A 43 -3.900 14.251 -11.000 1.00 0.00 N ATOM 684 CE2 TRP A 43 -2.702 13.693 -10.644 1.00 0.00 C ATOM 685 CE3 TRP A 43 -0.808 12.684 -11.739 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.128 13.518 -9.395 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -0.244 12.508 -10.501 1.00 0.00 C ATOM 688 CH2 TRP A 43 -0.901 12.921 -9.344 1.00 0.00 C ATOM 0 H TRP A 43 -2.256 10.799 -14.725 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.567 12.579 -14.772 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.605 13.081 -14.461 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.726 14.368 -14.860 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.865 14.579 -12.921 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.589 14.639 -10.356 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.291 12.361 -12.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.632 13.841 -8.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.727 12.041 -10.422 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.429 12.765 -8.385 1.00 0.00 H new ATOM 699 N LYS A 44 -4.358 13.105 -17.189 1.00 0.00 N ATOM 700 CA LYS A 44 -4.269 13.501 -18.559 1.00 0.00 C ATOM 701 C LYS A 44 -3.812 14.942 -18.584 1.00 0.00 C ATOM 702 O LYS A 44 -3.842 15.612 -17.541 1.00 0.00 O ATOM 703 CB LYS A 44 -5.633 13.367 -19.221 1.00 0.00 C ATOM 704 CG LYS A 44 -6.123 11.937 -19.346 1.00 0.00 C ATOM 705 CD LYS A 44 -5.265 11.159 -20.321 1.00 0.00 C ATOM 706 CE LYS A 44 -5.724 9.723 -20.475 1.00 0.00 C ATOM 707 NZ LYS A 44 -4.966 9.034 -21.538 1.00 0.00 N ATOM 0 H LYS A 44 -5.275 13.254 -16.768 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.565 12.871 -19.103 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.361 13.940 -18.647 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.588 13.812 -20.215 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.101 11.454 -18.369 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.160 11.931 -19.682 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.287 11.651 -21.293 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.230 11.172 -19.981 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.595 9.194 -19.531 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.788 9.701 -20.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.300 8.053 -21.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.109 9.528 -22.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.954 9.036 -21.299 1.00 0.00 H new ATOM 721 N ASP A 45 -3.422 15.440 -19.744 1.00 0.00 N ATOM 722 CA ASP A 45 -2.960 16.831 -19.855 1.00 0.00 C ATOM 723 C ASP A 45 -4.076 17.779 -19.506 1.00 0.00 C ATOM 724 O ASP A 45 -3.835 18.844 -18.995 1.00 0.00 O ATOM 725 CB ASP A 45 -2.368 17.176 -21.239 1.00 0.00 C ATOM 726 CG ASP A 45 -3.368 17.156 -22.381 1.00 0.00 C ATOM 727 OD1 ASP A 45 -4.016 18.186 -22.652 1.00 0.00 O ATOM 728 OD2 ASP A 45 -3.503 16.102 -23.044 1.00 0.00 O ATOM 0 H ASP A 45 -3.412 14.917 -20.619 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.144 16.944 -19.141 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.915 18.166 -21.188 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.568 16.470 -21.463 1.00 0.00 H new ATOM 733 N ASP A 46 -5.300 17.338 -19.736 1.00 0.00 N ATOM 734 CA ASP A 46 -6.506 18.102 -19.406 1.00 0.00 C ATOM 735 C ASP A 46 -6.545 18.380 -17.918 1.00 0.00 C ATOM 736 O ASP A 46 -6.824 19.505 -17.483 1.00 0.00 O ATOM 737 CB ASP A 46 -7.753 17.296 -19.775 1.00 0.00 C ATOM 738 CG ASP A 46 -7.818 16.931 -21.229 1.00 0.00 C ATOM 739 OD1 ASP A 46 -8.305 17.743 -22.030 1.00 0.00 O ATOM 740 OD2 ASP A 46 -7.386 15.818 -21.598 1.00 0.00 O ATOM 0 H ASP A 46 -5.494 16.431 -20.161 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.487 19.038 -19.965 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.777 16.384 -19.178 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.640 17.873 -19.513 1.00 0.00 H new ATOM 745 N GLU A 47 -6.194 17.361 -17.155 1.00 0.00 N ATOM 746 CA GLU A 47 -6.214 17.418 -15.707 1.00 0.00 C ATOM 747 C GLU A 47 -5.108 18.342 -15.259 1.00 0.00 C ATOM 748 O GLU A 47 -5.320 19.236 -14.443 1.00 0.00 O ATOM 749 CB GLU A 47 -5.966 16.023 -15.121 1.00 0.00 C ATOM 750 CG GLU A 47 -6.856 14.927 -15.687 1.00 0.00 C ATOM 751 CD GLU A 47 -8.318 15.134 -15.412 1.00 0.00 C ATOM 752 OE1 GLU A 47 -8.996 15.834 -16.192 1.00 0.00 O ATOM 753 OE2 GLU A 47 -8.834 14.549 -14.447 1.00 0.00 O ATOM 0 H GLU A 47 -5.885 16.463 -17.527 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.184 17.778 -15.365 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.925 15.751 -15.294 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.109 16.067 -14.041 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.703 14.867 -16.765 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.549 13.969 -15.268 1.00 0.00 H new ATOM 760 N ILE A 48 -3.933 18.135 -15.849 1.00 0.00 N ATOM 761 CA ILE A 48 -2.751 18.925 -15.558 1.00 0.00 C ATOM 762 C ILE A 48 -3.026 20.404 -15.826 1.00 0.00 C ATOM 763 O ILE A 48 -2.844 21.226 -14.946 1.00 0.00 O ATOM 764 CB ILE A 48 -1.525 18.448 -16.396 1.00 0.00 C ATOM 765 CG1 ILE A 48 -1.211 16.973 -16.085 1.00 0.00 C ATOM 766 CG2 ILE A 48 -0.302 19.329 -16.123 1.00 0.00 C ATOM 767 CD1 ILE A 48 -0.070 16.388 -16.902 1.00 0.00 C ATOM 0 H ILE A 48 -3.779 17.407 -16.547 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.510 18.789 -14.504 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.774 18.537 -17.453 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.968 16.881 -15.026 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.108 16.379 -16.259 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.540 18.977 -16.719 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.530 20.361 -16.391 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.045 19.277 -15.065 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.083 15.347 -16.619 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.316 16.444 -17.962 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.842 16.954 -16.711 1.00 0.00 H new ATOM 779 N LEU A 49 -3.533 20.703 -17.024 1.00 0.00 N ATOM 780 CA LEU A 49 -3.852 22.032 -17.463 1.00 0.00 C ATOM 781 C LEU A 49 -4.745 22.753 -16.494 1.00 0.00 C ATOM 782 O LEU A 49 -4.478 23.888 -16.112 1.00 0.00 O ATOM 783 CB LEU A 49 -4.548 21.945 -18.799 1.00 0.00 C ATOM 784 CG LEU A 49 -3.693 21.681 -20.017 1.00 0.00 C ATOM 785 CD1 LEU A 49 -4.572 21.623 -21.253 1.00 0.00 C ATOM 786 CD2 LEU A 49 -2.615 22.749 -20.168 1.00 0.00 C ATOM 0 H LEU A 49 -3.734 19.991 -17.727 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.921 22.594 -17.536 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.297 21.156 -18.737 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.083 22.881 -18.961 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.191 20.721 -19.894 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.954 21.433 -22.130 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.302 20.821 -21.143 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.092 22.573 -21.375 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.013 22.536 -21.052 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.084 23.727 -20.275 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.976 22.748 -19.285 1.00 0.00 H new ATOM 798 N LYS A 50 -5.801 22.112 -16.101 1.00 0.00 N ATOM 799 CA LYS A 50 -6.716 22.725 -15.211 1.00 0.00 C ATOM 800 C LYS A 50 -6.200 22.855 -13.800 1.00 0.00 C ATOM 801 O LYS A 50 -6.525 23.812 -13.097 1.00 0.00 O ATOM 802 CB LYS A 50 -8.066 22.124 -15.318 1.00 0.00 C ATOM 803 CG LYS A 50 -8.847 22.827 -16.419 1.00 0.00 C ATOM 804 CD LYS A 50 -8.293 22.573 -17.833 1.00 0.00 C ATOM 805 CE LYS A 50 -8.970 23.465 -18.857 1.00 0.00 C ATOM 806 NZ LYS A 50 -8.442 23.270 -20.229 1.00 0.00 N ATOM 0 H LYS A 50 -6.045 21.164 -16.387 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.822 23.760 -15.534 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.986 21.059 -15.537 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.593 22.215 -14.368 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.886 22.499 -16.381 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.845 23.900 -16.225 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.218 22.754 -17.843 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.442 21.527 -18.102 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.042 23.266 -18.854 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.839 24.507 -18.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.940 23.904 -20.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.425 23.486 -20.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.590 22.283 -20.521 1.00 0.00 H new ATOM 820 N ALA A 51 -5.336 21.937 -13.403 1.00 0.00 N ATOM 821 CA ALA A 51 -4.692 22.015 -12.111 1.00 0.00 C ATOM 822 C ALA A 51 -3.702 23.182 -12.100 1.00 0.00 C ATOM 823 O ALA A 51 -3.546 23.845 -11.088 1.00 0.00 O ATOM 824 CB ALA A 51 -3.995 20.707 -11.765 1.00 0.00 C ATOM 0 H ALA A 51 -5.066 21.128 -13.962 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.453 22.189 -11.350 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.520 20.795 -10.788 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.727 19.900 -11.741 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.238 20.488 -12.518 1.00 0.00 H new ATOM 830 N VAL A 52 -3.075 23.451 -13.260 1.00 0.00 N ATOM 831 CA VAL A 52 -2.124 24.575 -13.434 1.00 0.00 C ATOM 832 C VAL A 52 -2.763 25.891 -13.016 1.00 0.00 C ATOM 833 O VAL A 52 -2.144 26.717 -12.348 1.00 0.00 O ATOM 834 CB VAL A 52 -1.627 24.715 -14.929 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.747 25.946 -15.126 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.875 23.481 -15.402 1.00 0.00 C ATOM 0 H VAL A 52 -3.211 22.898 -14.106 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.267 24.351 -12.799 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.529 24.826 -15.531 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.428 26.003 -16.167 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.312 26.842 -14.870 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.129 25.874 -14.482 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.554 23.624 -16.434 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.002 23.322 -14.769 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.529 22.611 -15.343 1.00 0.00 H new ATOM 846 N HIS A 53 -4.008 26.033 -13.362 1.00 0.00 N ATOM 847 CA HIS A 53 -4.741 27.261 -13.157 1.00 0.00 C ATOM 848 C HIS A 53 -5.136 27.438 -11.708 1.00 0.00 C ATOM 849 O HIS A 53 -5.223 28.552 -11.211 1.00 0.00 O ATOM 850 CB HIS A 53 -5.986 27.222 -14.018 1.00 0.00 C ATOM 851 CG HIS A 53 -6.709 28.530 -14.164 1.00 0.00 C ATOM 852 ND1 HIS A 53 -7.962 28.758 -13.658 1.00 0.00 N ATOM 853 CD2 HIS A 53 -6.363 29.656 -14.812 1.00 0.00 C ATOM 854 CE1 HIS A 53 -8.355 29.965 -13.985 1.00 0.00 C ATOM 855 NE2 HIS A 53 -7.403 30.535 -14.686 1.00 0.00 N ATOM 0 H HIS A 53 -4.556 25.293 -13.801 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.103 28.101 -13.431 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.710 26.866 -15.011 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.675 26.490 -13.597 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.435 29.834 -15.335 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.301 30.414 -13.722 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.434 31.478 -15.073 1.00 0.00 H new ATOM 863 N VAL A 54 -5.376 26.351 -11.050 1.00 0.00 N ATOM 864 CA VAL A 54 -5.887 26.397 -9.707 1.00 0.00 C ATOM 865 C VAL A 54 -4.750 26.360 -8.701 1.00 0.00 C ATOM 866 O VAL A 54 -4.580 27.267 -7.881 1.00 0.00 O ATOM 867 CB VAL A 54 -6.877 25.232 -9.448 1.00 0.00 C ATOM 868 CG1 VAL A 54 -7.434 25.288 -8.036 1.00 0.00 C ATOM 869 CG2 VAL A 54 -8.011 25.261 -10.459 1.00 0.00 C ATOM 0 H VAL A 54 -5.227 25.411 -11.418 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.428 27.335 -9.585 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.328 24.297 -9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.125 24.459 -7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.616 25.215 -7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.961 26.231 -7.890 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.696 24.436 -10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.548 26.206 -10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.604 25.162 -11.465 1.00 0.00 H new ATOM 879 N LEU A 55 -3.970 25.328 -8.810 1.00 0.00 N ATOM 880 CA LEU A 55 -2.913 25.007 -7.928 1.00 0.00 C ATOM 881 C LEU A 55 -1.636 25.761 -8.186 1.00 0.00 C ATOM 882 O LEU A 55 -0.696 25.633 -7.388 1.00 0.00 O ATOM 883 CB LEU A 55 -2.635 23.557 -8.143 1.00 0.00 C ATOM 884 CG LEU A 55 -3.471 22.541 -7.410 1.00 0.00 C ATOM 885 CD1 LEU A 55 -3.098 22.494 -5.946 1.00 0.00 C ATOM 886 CD2 LEU A 55 -4.969 22.764 -7.559 1.00 0.00 C ATOM 0 H LEU A 55 -4.069 24.652 -9.567 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.222 25.270 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.733 23.357 -9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.592 23.378 -7.880 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.249 21.581 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.715 21.753 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.047 22.221 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.263 23.473 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.508 21.995 -7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.232 23.746 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.242 22.710 -8.613 1.00 0.00 H new ATOM 898 N GLU A 56 -1.584 26.506 -9.288 1.00 0.00 N ATOM 899 CA GLU A 56 -0.368 27.183 -9.726 1.00 0.00 C ATOM 900 C GLU A 56 0.698 26.169 -10.109 1.00 0.00 C ATOM 901 O GLU A 56 1.398 25.602 -9.250 1.00 0.00 O ATOM 902 CB GLU A 56 0.207 28.175 -8.705 1.00 0.00 C ATOM 903 CG GLU A 56 -0.612 29.417 -8.461 1.00 0.00 C ATOM 904 CD GLU A 56 0.085 30.330 -7.490 1.00 0.00 C ATOM 905 OE1 GLU A 56 1.205 30.807 -7.802 1.00 0.00 O ATOM 906 OE2 GLU A 56 -0.452 30.585 -6.402 1.00 0.00 O ATOM 0 H GLU A 56 -2.385 26.657 -9.902 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.663 27.773 -10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.336 27.656 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.199 28.477 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.780 29.939 -9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.592 29.142 -8.070 1.00 0.00 H new ATOM 913 N LEU A 57 0.778 25.889 -11.360 1.00 0.00 N ATOM 914 CA LEU A 57 1.781 25.008 -11.859 1.00 0.00 C ATOM 915 C LEU A 57 2.443 25.660 -13.024 1.00 0.00 C ATOM 916 O LEU A 57 2.009 26.719 -13.484 1.00 0.00 O ATOM 917 CB LEU A 57 1.209 23.686 -12.295 1.00 0.00 C ATOM 918 CG LEU A 57 0.423 22.869 -11.259 1.00 0.00 C ATOM 919 CD1 LEU A 57 -0.230 21.675 -11.927 1.00 0.00 C ATOM 920 CD2 LEU A 57 1.339 22.396 -10.145 1.00 0.00 C ATOM 0 H LEU A 57 0.150 26.263 -12.071 1.00 0.00 H new ATOM 0 HA LEU A 57 2.492 24.811 -11.057 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.552 23.869 -13.145 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.031 23.068 -12.655 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.348 23.508 -10.829 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.785 21.101 -11.185 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.913 22.021 -12.703 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.538 21.043 -12.374 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.764 21.819 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.127 21.770 -10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.785 23.259 -9.650 1.00 0.00 H new ATOM 932 N ASN A 58 3.469 25.060 -13.491 1.00 0.00 N ATOM 933 CA ASN A 58 4.193 25.518 -14.612 1.00 0.00 C ATOM 934 C ASN A 58 4.724 24.289 -15.293 1.00 0.00 C ATOM 935 O ASN A 58 5.084 23.344 -14.601 1.00 0.00 O ATOM 936 CB ASN A 58 5.333 26.396 -14.111 1.00 0.00 C ATOM 937 CG ASN A 58 6.215 26.920 -15.194 1.00 0.00 C ATOM 938 OD1 ASN A 58 7.215 26.309 -15.531 1.00 0.00 O ATOM 939 ND2 ASN A 58 5.845 28.021 -15.748 1.00 0.00 N ATOM 0 H ASN A 58 3.843 24.201 -13.087 1.00 0.00 H new ATOM 0 HA ASN A 58 3.586 26.103 -15.303 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.914 27.237 -13.558 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.938 25.823 -13.409 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.397 28.421 -16.506 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.999 28.494 -15.429 1.00 0.00 H new ATOM 946 N PRO A 59 4.793 24.258 -16.634 1.00 0.00 N ATOM 947 CA PRO A 59 5.260 23.079 -17.392 1.00 0.00 C ATOM 948 C PRO A 59 6.678 22.608 -16.997 1.00 0.00 C ATOM 949 O PRO A 59 7.038 21.442 -17.187 1.00 0.00 O ATOM 950 CB PRO A 59 5.237 23.558 -18.850 1.00 0.00 C ATOM 951 CG PRO A 59 5.162 25.044 -18.776 1.00 0.00 C ATOM 952 CD PRO A 59 4.380 25.343 -17.547 1.00 0.00 C ATOM 0 HA PRO A 59 4.629 22.212 -17.197 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.131 23.236 -19.384 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.381 23.147 -19.385 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.158 25.485 -18.724 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.676 25.457 -19.660 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.619 26.327 -17.143 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.307 25.328 -17.735 1.00 0.00 H new ATOM 960 N GLN A 60 7.458 23.503 -16.422 1.00 0.00 N ATOM 961 CA GLN A 60 8.826 23.197 -16.022 1.00 0.00 C ATOM 962 C GLN A 60 8.851 22.732 -14.567 1.00 0.00 C ATOM 963 O GLN A 60 9.836 22.145 -14.085 1.00 0.00 O ATOM 964 CB GLN A 60 9.665 24.450 -16.173 1.00 0.00 C ATOM 965 CG GLN A 60 9.560 25.063 -17.551 1.00 0.00 C ATOM 966 CD GLN A 60 10.215 26.412 -17.641 1.00 0.00 C ATOM 967 OE1 GLN A 60 10.284 27.159 -16.665 1.00 0.00 O ATOM 968 NE2 GLN A 60 10.677 26.747 -18.789 1.00 0.00 N ATOM 0 H GLN A 60 7.167 24.459 -16.218 1.00 0.00 H new ATOM 0 HA GLN A 60 9.226 22.401 -16.650 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.352 25.183 -15.429 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.708 24.211 -15.965 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.019 24.392 -18.278 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.509 25.156 -17.823 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.603 26.103 -19.576 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.119 27.658 -18.915 1.00 0.00 H new ATOM 977 N ASP A 61 7.754 22.972 -13.880 1.00 0.00 N ATOM 978 CA ASP A 61 7.629 22.631 -12.464 1.00 0.00 C ATOM 979 C ASP A 61 6.904 21.309 -12.338 1.00 0.00 C ATOM 980 O ASP A 61 6.961 20.645 -11.313 1.00 0.00 O ATOM 981 CB ASP A 61 6.842 23.710 -11.737 1.00 0.00 C ATOM 982 CG ASP A 61 7.211 23.839 -10.286 1.00 0.00 C ATOM 983 OD1 ASP A 61 6.406 24.378 -9.512 1.00 0.00 O ATOM 984 OD2 ASP A 61 8.326 23.451 -9.911 1.00 0.00 O ATOM 0 H ASP A 61 6.922 23.407 -14.279 1.00 0.00 H new ATOM 0 HA ASP A 61 8.622 22.556 -12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.007 24.667 -12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.778 23.489 -11.816 1.00 0.00 H new ATOM 989 N ILE A 62 6.245 20.927 -13.431 1.00 0.00 N ATOM 990 CA ILE A 62 5.484 19.682 -13.534 1.00 0.00 C ATOM 991 C ILE A 62 6.245 18.430 -13.057 1.00 0.00 C ATOM 992 O ILE A 62 5.737 17.741 -12.199 1.00 0.00 O ATOM 993 CB ILE A 62 4.932 19.435 -14.969 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.964 20.546 -15.368 1.00 0.00 C ATOM 995 CG2 ILE A 62 4.250 18.064 -15.090 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.762 20.718 -14.459 1.00 0.00 C ATOM 0 H ILE A 62 6.224 21.484 -14.285 1.00 0.00 H new ATOM 0 HA ILE A 62 4.650 19.834 -12.849 1.00 0.00 H new ATOM 0 HB ILE A 62 5.782 19.442 -15.652 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.512 21.488 -15.400 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.608 20.349 -16.379 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.879 17.931 -16.106 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.970 17.278 -14.861 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.417 18.009 -14.389 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.139 21.532 -14.830 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.183 19.795 -14.443 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.100 20.951 -13.449 1.00 0.00 H new ATOM 1008 N PRO A 63 7.513 18.146 -13.529 1.00 0.00 N ATOM 1009 CA PRO A 63 8.168 16.869 -13.227 1.00 0.00 C ATOM 1010 C PRO A 63 8.600 16.746 -11.781 1.00 0.00 C ATOM 1011 O PRO A 63 8.945 15.669 -11.315 1.00 0.00 O ATOM 1012 CB PRO A 63 9.372 16.852 -14.151 1.00 0.00 C ATOM 1013 CG PRO A 63 9.702 18.278 -14.397 1.00 0.00 C ATOM 1014 CD PRO A 63 8.410 19.034 -14.313 1.00 0.00 C ATOM 0 HA PRO A 63 7.488 16.031 -13.378 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.211 16.328 -13.693 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.144 16.335 -15.083 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.415 18.644 -13.658 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.164 18.406 -15.376 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.545 19.997 -13.821 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.003 19.236 -15.304 1.00 0.00 H new ATOM 1022 N LYS A 64 8.583 17.852 -11.094 1.00 0.00 N ATOM 1023 CA LYS A 64 8.936 17.875 -9.696 1.00 0.00 C ATOM 1024 C LYS A 64 7.802 17.257 -8.897 1.00 0.00 C ATOM 1025 O LYS A 64 8.024 16.459 -7.989 1.00 0.00 O ATOM 1026 CB LYS A 64 9.167 19.298 -9.189 1.00 0.00 C ATOM 1027 CG LYS A 64 10.081 20.168 -10.032 1.00 0.00 C ATOM 1028 CD LYS A 64 10.552 21.362 -9.204 1.00 0.00 C ATOM 1029 CE LYS A 64 11.407 22.345 -9.990 1.00 0.00 C ATOM 1030 NZ LYS A 64 10.656 22.990 -11.078 1.00 0.00 N ATOM 0 H LYS A 64 8.326 18.760 -11.480 1.00 0.00 H new ATOM 0 HA LYS A 64 9.863 17.314 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.200 19.794 -9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.581 19.240 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.938 19.589 -10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.554 20.514 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.682 21.885 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.122 20.999 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.793 23.109 -9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.269 21.823 -10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.227 23.757 -11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.441 22.288 -11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.769 23.381 -10.703 1.00 0.00 H new ATOM 1044 N TYR A 65 6.589 17.623 -9.258 1.00 0.00 N ATOM 1045 CA TYR A 65 5.418 17.147 -8.583 1.00 0.00 C ATOM 1046 C TYR A 65 4.877 15.893 -9.283 1.00 0.00 C ATOM 1047 O TYR A 65 4.825 14.807 -8.712 1.00 0.00 O ATOM 1048 CB TYR A 65 4.310 18.206 -8.618 1.00 0.00 C ATOM 1049 CG TYR A 65 4.594 19.569 -7.992 1.00 0.00 C ATOM 1050 CD1 TYR A 65 4.577 19.752 -6.604 1.00 0.00 C ATOM 1051 CD2 TYR A 65 4.780 20.700 -8.798 1.00 0.00 C ATOM 1052 CE1 TYR A 65 4.739 21.021 -6.051 1.00 0.00 C ATOM 1053 CE2 TYR A 65 4.960 21.942 -8.243 1.00 0.00 C ATOM 1054 CZ TYR A 65 4.935 22.098 -6.881 1.00 0.00 C ATOM 1055 OH TYR A 65 5.048 23.356 -6.342 1.00 0.00 O ATOM 0 H TYR A 65 6.396 18.261 -10.030 1.00 0.00 H new ATOM 0 HA TYR A 65 5.698 16.924 -7.553 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.038 18.369 -9.661 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.434 17.788 -8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.437 18.900 -5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.782 20.593 -9.873 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.711 21.156 -4.980 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.122 22.799 -8.880 1.00 0.00 H new ATOM 0 HH TYR A 65 5.184 24.009 -7.060 1.00 0.00 H new ATOM 1065 N PHE A 66 4.525 16.058 -10.540 1.00 0.00 N ATOM 1066 CA PHE A 66 3.837 15.052 -11.305 1.00 0.00 C ATOM 1067 C PHE A 66 4.797 14.273 -12.176 1.00 0.00 C ATOM 1068 O PHE A 66 4.978 14.587 -13.354 1.00 0.00 O ATOM 1069 CB PHE A 66 2.741 15.682 -12.193 1.00 0.00 C ATOM 1070 CG PHE A 66 1.718 16.511 -11.461 1.00 0.00 C ATOM 1071 CD1 PHE A 66 1.892 17.878 -11.310 1.00 0.00 C ATOM 1072 CD2 PHE A 66 0.582 15.929 -10.937 1.00 0.00 C ATOM 1073 CE1 PHE A 66 0.954 18.640 -10.649 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -0.362 16.687 -10.275 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.176 18.044 -10.131 1.00 0.00 C ATOM 0 H PHE A 66 4.714 16.912 -11.064 1.00 0.00 H new ATOM 0 HA PHE A 66 3.372 14.371 -10.592 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.221 16.308 -12.945 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.224 14.884 -12.725 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.774 18.351 -11.716 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.430 14.865 -11.047 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.104 19.704 -10.537 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.246 16.217 -9.870 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.913 18.640 -9.614 1.00 0.00 H new ATOM 1085 N PHE A 67 5.448 13.306 -11.591 1.00 0.00 N ATOM 1086 CA PHE A 67 6.326 12.425 -12.337 1.00 0.00 C ATOM 1087 C PHE A 67 6.575 11.192 -11.509 1.00 0.00 C ATOM 1088 O PHE A 67 6.337 10.081 -11.966 1.00 0.00 O ATOM 1089 CB PHE A 67 7.657 13.103 -12.671 1.00 0.00 C ATOM 1090 CG PHE A 67 8.358 12.519 -13.867 1.00 0.00 C ATOM 1091 CD1 PHE A 67 8.214 13.112 -15.112 1.00 0.00 C ATOM 1092 CD2 PHE A 67 9.154 11.392 -13.756 1.00 0.00 C ATOM 1093 CE1 PHE A 67 8.852 12.593 -16.219 1.00 0.00 C ATOM 1094 CE2 PHE A 67 9.793 10.869 -14.860 1.00 0.00 C ATOM 1095 CZ PHE A 67 9.642 11.471 -16.093 1.00 0.00 C ATOM 0 H PHE A 67 5.391 13.101 -10.593 1.00 0.00 H new ATOM 0 HA PHE A 67 5.847 12.166 -13.281 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.478 14.163 -12.849 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.316 13.032 -11.806 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.595 13.991 -15.216 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.276 10.917 -12.794 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.733 13.065 -17.183 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.411 9.989 -14.760 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.143 11.063 -16.958 1.00 0.00 H new ATOM 1105 N ASN A 68 6.990 11.420 -10.256 1.00 0.00 N ATOM 1106 CA ASN A 68 7.282 10.438 -9.283 1.00 0.00 C ATOM 1107 C ASN A 68 8.400 9.451 -9.646 1.00 0.00 C ATOM 1108 O ASN A 68 8.368 8.778 -10.664 1.00 0.00 O ATOM 1109 CB ASN A 68 6.032 9.765 -8.856 1.00 0.00 C ATOM 1110 CG ASN A 68 6.204 9.152 -7.536 1.00 0.00 C ATOM 1111 OD1 ASN A 68 6.500 7.974 -7.403 1.00 0.00 O ATOM 1112 ND2 ASN A 68 6.102 9.981 -6.547 1.00 0.00 N ATOM 0 H ASN A 68 7.130 12.367 -9.903 1.00 0.00 H new ATOM 0 HA ASN A 68 7.710 10.973 -8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.216 10.487 -8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.755 9.003 -9.584 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.273 9.661 -5.594 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.851 10.954 -6.721 1.00 0.00 H new ATOM 1119 N ALA A 69 9.386 9.373 -8.783 1.00 0.00 N ATOM 1120 CA ALA A 69 10.508 8.466 -8.974 1.00 0.00 C ATOM 1121 C ALA A 69 10.496 7.412 -7.875 1.00 0.00 C ATOM 1122 O ALA A 69 11.523 6.848 -7.489 1.00 0.00 O ATOM 1123 CB ALA A 69 11.815 9.241 -8.997 1.00 0.00 C ATOM 0 H ALA A 69 9.439 9.931 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 69 10.415 7.960 -9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.645 8.550 -9.141 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.797 9.961 -9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.942 9.769 -8.052 1.00 0.00 H new ATOM 1129 N LYS A 70 9.307 7.145 -7.399 1.00 0.00 N ATOM 1130 CA LYS A 70 9.056 6.146 -6.366 1.00 0.00 C ATOM 1131 C LYS A 70 8.038 5.153 -6.935 1.00 0.00 C ATOM 1132 O LYS A 70 7.486 4.297 -6.251 1.00 0.00 O ATOM 1133 CB LYS A 70 8.513 6.854 -5.092 1.00 0.00 C ATOM 1134 CG LYS A 70 8.175 5.950 -3.900 1.00 0.00 C ATOM 1135 CD LYS A 70 7.426 6.732 -2.827 1.00 0.00 C ATOM 1136 CE LYS A 70 6.892 5.827 -1.716 1.00 0.00 C ATOM 1137 NZ LYS A 70 7.958 5.215 -0.905 1.00 0.00 N ATOM 0 H LYS A 70 8.463 7.620 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 70 9.965 5.615 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.252 7.586 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.615 7.408 -5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.568 5.109 -4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.091 5.534 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.091 7.480 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.596 7.270 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.238 6.408 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.283 5.039 -2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.533 4.614 -0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.569 4.636 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.525 5.962 -0.456 1.00 0.00 H new ATOM 1151 N VAL A 71 7.874 5.235 -8.217 1.00 0.00 N ATOM 1152 CA VAL A 71 6.882 4.437 -8.928 1.00 0.00 C ATOM 1153 C VAL A 71 7.609 3.471 -9.859 1.00 0.00 C ATOM 1154 O VAL A 71 7.008 2.805 -10.705 1.00 0.00 O ATOM 1155 CB VAL A 71 5.895 5.364 -9.719 1.00 0.00 C ATOM 1156 CG1 VAL A 71 6.596 6.110 -10.831 1.00 0.00 C ATOM 1157 CG2 VAL A 71 4.659 4.624 -10.231 1.00 0.00 C ATOM 0 H VAL A 71 8.418 5.855 -8.817 1.00 0.00 H new ATOM 0 HA VAL A 71 6.285 3.865 -8.218 1.00 0.00 H new ATOM 0 HB VAL A 71 5.534 6.101 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.878 6.741 -11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.386 6.732 -10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.030 5.396 -11.531 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.016 5.320 -10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.967 3.821 -10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.112 4.203 -9.388 1.00 0.00 H new ATOM 1167 N HIS A 72 8.892 3.354 -9.599 1.00 0.00 N ATOM 1168 CA HIS A 72 9.828 2.573 -10.389 1.00 0.00 C ATOM 1169 C HIS A 72 9.948 3.154 -11.802 1.00 0.00 C ATOM 1170 O HIS A 72 10.704 4.123 -11.968 1.00 0.00 O ATOM 1171 CB HIS A 72 9.470 1.074 -10.408 1.00 0.00 C ATOM 1172 CG HIS A 72 10.493 0.227 -11.090 1.00 0.00 C ATOM 1173 ND1 HIS A 72 10.508 0.021 -12.437 1.00 0.00 N ATOM 1174 CD2 HIS A 72 11.548 -0.450 -10.598 1.00 0.00 C ATOM 1175 CE1 HIS A 72 11.522 -0.738 -12.753 1.00 0.00 C ATOM 1176 NE2 HIS A 72 12.174 -1.044 -11.656 1.00 0.00 N ATOM 0 H HIS A 72 9.332 3.816 -8.803 1.00 0.00 H new ATOM 0 HA HIS A 72 10.805 2.641 -9.911 1.00 0.00 H new ATOM 0 HB2 HIS A 72 9.346 0.725 -9.383 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.510 0.944 -10.908 1.00 0.00 H new ATOM 0 HD2 HIS A 72 11.843 -0.512 -9.561 1.00 0.00 H new ATOM 0 HE1 HIS A 72 11.781 -1.060 -13.751 1.00 0.00 H new ATOM 0 HE2 HIS A 72 13.009 -1.628 -11.603 1.00 0.00 H new TER 1184 HIS A 72