USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 502 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 3 HIS : no HD1:sc= -0.0777 X(o=-0.22,f=-0.11) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.145 K(o=-0.22,f=-2.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.81 (180deg=0.444) USER MOD Single : A 2 THR OG1 : rot -120:sc= 0.00124 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 9 MET CE :methyl -161:sc= -2.63 (180deg=-3.85) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 179:sc= -0.165 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 167:sc= 0.892 USER MOD Single : A 17 HIS : no HE2:sc= 0.338 K(o=0.34,f=-6.4!) USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= 0.577 (180deg=-0.88!) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00407) USER MOD Single : A 29 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 30 SER OG : rot 45:sc= 0.373 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 151:sc= -0.853 USER MOD Single : A 48 THR OG1 : rot 89:sc= 1.18 USER MOD Single : A 49 SER OG : rot 92:sc= 0.121 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.171 -3.888 -2.054 1.00 0.00 N ATOM 2 CA MET A 1 1.003 -2.679 -2.258 1.00 0.00 C ATOM 3 C MET A 1 0.131 -1.466 -2.557 1.00 0.00 C ATOM 4 O MET A 1 -0.130 -0.643 -1.679 1.00 0.00 O ATOM 5 CB MET A 1 1.993 -2.900 -3.405 1.00 0.00 C ATOM 6 CG MET A 1 3.121 -1.882 -3.437 1.00 0.00 C ATOM 7 SD MET A 1 3.219 -1.008 -5.010 1.00 0.00 S ATOM 8 CE MET A 1 4.448 -1.994 -5.862 1.00 0.00 C ATOM 0 H1 MET A 1 0.732 -4.736 -2.271 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.147 -3.927 -1.065 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.657 -3.850 -2.683 1.00 0.00 H new ATOM 0 HA MET A 1 1.558 -2.492 -1.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.419 -3.900 -3.319 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.454 -2.863 -4.352 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.978 -1.160 -2.633 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.068 -2.388 -3.247 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.621 -1.580 -6.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.380 -1.982 -5.296 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.092 -3.020 -5.953 1.00 0.00 H new ATOM 20 N THR A 2 -0.320 -1.358 -3.798 1.00 0.00 N ATOM 21 CA THR A 2 -1.131 -0.232 -4.223 1.00 0.00 C ATOM 22 C THR A 2 -2.531 -0.283 -3.618 1.00 0.00 C ATOM 23 O THR A 2 -3.200 -1.317 -3.653 1.00 0.00 O ATOM 24 CB THR A 2 -1.243 -0.204 -5.754 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.230 -1.050 -6.323 1.00 0.00 O ATOM 26 CG2 THR A 2 -1.101 1.216 -6.281 1.00 0.00 C ATOM 0 H THR A 2 -0.135 -2.043 -4.531 1.00 0.00 H new ATOM 0 HA THR A 2 -0.637 0.673 -3.871 1.00 0.00 H new ATOM 0 HB THR A 2 -2.227 -0.573 -6.042 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.353 -0.517 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.184 1.211 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.889 1.841 -5.860 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.129 1.615 -5.993 1.00 0.00 H new ATOM 34 N HIS A 3 -2.955 0.828 -3.034 1.00 0.00 N ATOM 35 CA HIS A 3 -4.317 0.951 -2.538 1.00 0.00 C ATOM 36 C HIS A 3 -5.181 1.609 -3.596 1.00 0.00 C ATOM 37 O HIS A 3 -4.780 2.594 -4.220 1.00 0.00 O ATOM 38 CB HIS A 3 -4.384 1.780 -1.254 1.00 0.00 C ATOM 39 CG HIS A 3 -3.599 1.226 -0.103 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.427 1.910 1.080 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.944 0.051 0.047 1.00 0.00 C ATOM 42 CE1 HIS A 3 -2.696 1.183 1.904 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.393 0.050 1.303 1.00 0.00 N ATOM 0 H HIS A 3 -2.376 1.656 -2.892 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.680 -0.052 -2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.024 2.786 -1.469 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.427 1.872 -0.952 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.869 -0.739 -0.686 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.397 1.468 2.902 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.839 -0.705 1.706 1.00 0.00 H new ATOM 52 N LEU A 4 -6.361 1.070 -3.789 1.00 0.00 N ATOM 53 CA LEU A 4 -7.281 1.587 -4.784 1.00 0.00 C ATOM 54 C LEU A 4 -8.459 2.256 -4.098 1.00 0.00 C ATOM 55 O LEU A 4 -8.865 1.848 -3.013 1.00 0.00 O ATOM 56 CB LEU A 4 -7.774 0.462 -5.697 1.00 0.00 C ATOM 57 CG LEU A 4 -6.970 0.271 -6.986 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.921 -0.814 -6.806 1.00 0.00 C ATOM 59 CD2 LEU A 4 -7.896 -0.068 -8.143 1.00 0.00 C ATOM 0 H LEU A 4 -6.712 0.267 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.757 2.322 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.759 -0.473 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.813 0.659 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.459 1.206 -7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.360 -0.935 -7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.240 -0.532 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.410 -1.755 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.309 -0.201 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.434 -0.990 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.610 0.743 -8.287 1.00 0.00 H new ATOM 71 N LYS A 5 -8.994 3.283 -4.722 1.00 0.00 N ATOM 72 CA LYS A 5 -10.136 3.988 -4.170 1.00 0.00 C ATOM 73 C LYS A 5 -11.407 3.530 -4.864 1.00 0.00 C ATOM 74 O LYS A 5 -11.493 3.544 -6.091 1.00 0.00 O ATOM 75 CB LYS A 5 -9.958 5.499 -4.324 1.00 0.00 C ATOM 76 CG LYS A 5 -11.040 6.318 -3.637 1.00 0.00 C ATOM 77 CD LYS A 5 -10.706 6.568 -2.176 1.00 0.00 C ATOM 78 CE LYS A 5 -11.810 7.348 -1.480 1.00 0.00 C ATOM 79 NZ LYS A 5 -11.439 8.769 -1.269 1.00 0.00 N ATOM 0 H LYS A 5 -8.658 3.650 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.211 3.760 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.987 5.784 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.946 5.748 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.159 7.271 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.994 5.796 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.555 5.616 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.768 7.119 -2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.721 7.296 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.031 6.884 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.219 9.264 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.584 8.821 -0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.253 9.219 -2.188 1.00 0.00 H new ATOM 93 N ILE A 6 -12.383 3.111 -4.080 1.00 0.00 N ATOM 94 CA ILE A 6 -13.637 2.627 -4.623 1.00 0.00 C ATOM 95 C ILE A 6 -14.716 3.692 -4.449 1.00 0.00 C ATOM 96 O ILE A 6 -14.906 4.222 -3.354 1.00 0.00 O ATOM 97 CB ILE A 6 -14.045 1.284 -3.955 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.799 0.121 -4.923 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.499 1.290 -3.494 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.336 -0.196 -5.139 1.00 0.00 C ATOM 0 H ILE A 6 -12.330 3.096 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.516 2.432 -5.689 1.00 0.00 H new ATOM 0 HB ILE A 6 -13.425 1.156 -3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.301 -0.768 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.255 0.358 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.739 0.331 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -15.647 2.089 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.152 1.454 -4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.243 -1.029 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.831 0.678 -5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.878 -0.466 -4.187 1.00 0.00 H new ATOM 112 N THR A 7 -15.398 4.025 -5.534 1.00 0.00 N ATOM 113 CA THR A 7 -16.374 5.091 -5.504 1.00 0.00 C ATOM 114 C THR A 7 -17.546 4.788 -6.435 1.00 0.00 C ATOM 115 O THR A 7 -17.399 4.057 -7.418 1.00 0.00 O ATOM 116 CB THR A 7 -15.715 6.423 -5.908 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.376 6.186 -6.372 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.680 7.383 -4.731 1.00 0.00 C ATOM 0 H THR A 7 -15.291 3.571 -6.441 1.00 0.00 H new ATOM 0 HA THR A 7 -16.757 5.172 -4.487 1.00 0.00 H new ATOM 0 HB THR A 7 -16.306 6.869 -6.708 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.406 5.760 -7.254 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.211 8.318 -5.038 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.697 7.582 -4.393 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.107 6.939 -3.917 1.00 0.00 H new ATOM 126 N GLY A 8 -18.717 5.320 -6.095 1.00 0.00 N ATOM 127 CA GLY A 8 -19.886 5.181 -6.949 1.00 0.00 C ATOM 128 C GLY A 8 -20.630 3.872 -6.748 1.00 0.00 C ATOM 129 O GLY A 8 -21.826 3.788 -7.014 1.00 0.00 O ATOM 0 H GLY A 8 -18.878 5.848 -5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.567 6.010 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.576 5.257 -7.991 1.00 0.00 H new ATOM 133 N MET A 9 -19.925 2.855 -6.271 1.00 0.00 N ATOM 134 CA MET A 9 -20.511 1.526 -6.104 1.00 0.00 C ATOM 135 C MET A 9 -21.304 1.427 -4.809 1.00 0.00 C ATOM 136 O MET A 9 -22.078 0.493 -4.621 1.00 0.00 O ATOM 137 CB MET A 9 -19.425 0.456 -6.110 1.00 0.00 C ATOM 138 CG MET A 9 -18.195 0.875 -6.883 1.00 0.00 C ATOM 139 SD MET A 9 -16.947 -0.419 -6.991 1.00 0.00 S ATOM 140 CE MET A 9 -17.100 -1.191 -5.383 1.00 0.00 C ATOM 0 H MET A 9 -18.946 2.922 -5.992 1.00 0.00 H new ATOM 0 HA MET A 9 -21.188 1.363 -6.942 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.142 0.226 -5.083 1.00 0.00 H new ATOM 0 HB3 MET A 9 -19.826 -0.460 -6.543 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.490 1.170 -7.890 1.00 0.00 H new ATOM 0 HG3 MET A 9 -17.758 1.753 -6.408 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.199 -1.765 -5.168 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.231 -0.422 -4.621 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.963 -1.856 -5.379 1.00 0.00 H new ATOM 150 N THR A 10 -21.096 2.395 -3.920 1.00 0.00 N ATOM 151 CA THR A 10 -21.705 2.389 -2.602 1.00 0.00 C ATOM 152 C THR A 10 -21.237 1.168 -1.778 1.00 0.00 C ATOM 153 O THR A 10 -21.789 0.859 -0.721 1.00 0.00 O ATOM 154 CB THR A 10 -23.229 2.417 -2.775 1.00 0.00 C ATOM 155 OG1 THR A 10 -23.582 3.466 -3.690 1.00 0.00 O ATOM 156 CG2 THR A 10 -23.966 2.623 -1.457 1.00 0.00 C ATOM 0 H THR A 10 -20.500 3.203 -4.098 1.00 0.00 H new ATOM 0 HA THR A 10 -21.393 3.271 -2.042 1.00 0.00 H new ATOM 0 HB THR A 10 -23.532 1.445 -3.165 1.00 0.00 H new ATOM 0 HG1 THR A 10 -24.555 3.486 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.041 2.635 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 10 -23.722 1.810 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 10 -23.663 3.572 -1.015 1.00 0.00 H new ATOM 164 N CYS A 11 -20.155 0.532 -2.253 1.00 0.00 N ATOM 165 CA CYS A 11 -19.578 -0.667 -1.630 1.00 0.00 C ATOM 166 C CYS A 11 -20.627 -1.734 -1.294 1.00 0.00 C ATOM 167 O CYS A 11 -21.756 -1.669 -1.768 1.00 0.00 O ATOM 168 CB CYS A 11 -18.788 -0.289 -0.392 1.00 0.00 C ATOM 169 SG CYS A 11 -18.534 1.487 -0.154 1.00 0.00 S ATOM 0 H CYS A 11 -19.653 0.838 -3.086 1.00 0.00 H new ATOM 0 HA CYS A 11 -18.909 -1.112 -2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -19.302 -0.687 0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -17.814 -0.776 -0.439 1.00 0.00 H new ATOM 0 HG CYS A 11 -17.865 1.687 0.943 1.00 0.00 H new ATOM 175 N ASP A 12 -20.205 -2.737 -0.513 1.00 0.00 N ATOM 176 CA ASP A 12 -21.061 -3.865 -0.091 1.00 0.00 C ATOM 177 C ASP A 12 -21.707 -4.589 -1.274 1.00 0.00 C ATOM 178 O ASP A 12 -22.607 -4.063 -1.926 1.00 0.00 O ATOM 179 CB ASP A 12 -22.141 -3.404 0.892 1.00 0.00 C ATOM 180 CG ASP A 12 -22.859 -4.569 1.546 1.00 0.00 C ATOM 181 OD1 ASP A 12 -22.187 -5.396 2.200 1.00 0.00 O ATOM 182 OD2 ASP A 12 -24.097 -4.667 1.406 1.00 0.00 O ATOM 0 H ASP A 12 -19.253 -2.793 -0.151 1.00 0.00 H new ATOM 0 HA ASP A 12 -20.403 -4.575 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.686 -2.782 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.866 -2.782 0.367 1.00 0.00 H new ATOM 187 N SER A 13 -21.242 -5.813 -1.525 1.00 0.00 N ATOM 188 CA SER A 13 -21.640 -6.599 -2.698 1.00 0.00 C ATOM 189 C SER A 13 -21.047 -5.991 -3.967 1.00 0.00 C ATOM 190 O SER A 13 -20.438 -6.692 -4.773 1.00 0.00 O ATOM 191 CB SER A 13 -23.164 -6.727 -2.804 1.00 0.00 C ATOM 192 OG SER A 13 -23.682 -7.473 -1.712 1.00 0.00 O ATOM 0 H SER A 13 -20.575 -6.291 -0.919 1.00 0.00 H new ATOM 0 HA SER A 13 -21.243 -7.607 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.617 -5.736 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.429 -7.215 -3.742 1.00 0.00 H new ATOM 0 HG SER A 13 -24.656 -7.543 -1.796 1.00 0.00 H new ATOM 198 N CYS A 14 -21.199 -4.683 -4.123 1.00 0.00 N ATOM 199 CA CYS A 14 -20.499 -3.962 -5.168 1.00 0.00 C ATOM 200 C CYS A 14 -19.003 -4.084 -4.939 1.00 0.00 C ATOM 201 O CYS A 14 -18.226 -4.275 -5.871 1.00 0.00 O ATOM 202 CB CYS A 14 -20.914 -2.490 -5.169 1.00 0.00 C ATOM 203 SG CYS A 14 -22.699 -2.236 -5.317 1.00 0.00 S ATOM 0 H CYS A 14 -21.801 -4.103 -3.538 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.756 -4.390 -6.137 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.565 -2.023 -4.248 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.414 -1.982 -5.994 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.985 -0.998 -5.042 1.00 0.00 H new ATOM 209 N ALA A 15 -18.610 -4.007 -3.671 1.00 0.00 N ATOM 210 CA ALA A 15 -17.211 -4.146 -3.304 1.00 0.00 C ATOM 211 C ALA A 15 -16.785 -5.604 -3.392 1.00 0.00 C ATOM 212 O ALA A 15 -15.611 -5.906 -3.586 1.00 0.00 O ATOM 213 CB ALA A 15 -16.971 -3.597 -1.904 1.00 0.00 C ATOM 0 H ALA A 15 -19.241 -3.850 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.607 -3.569 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.918 -3.709 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.241 -2.541 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.581 -4.147 -1.188 1.00 0.00 H new ATOM 219 N ALA A 16 -17.755 -6.500 -3.271 1.00 0.00 N ATOM 220 CA ALA A 16 -17.489 -7.928 -3.333 1.00 0.00 C ATOM 221 C ALA A 16 -17.238 -8.367 -4.769 1.00 0.00 C ATOM 222 O ALA A 16 -16.273 -9.071 -5.049 1.00 0.00 O ATOM 223 CB ALA A 16 -18.637 -8.714 -2.723 1.00 0.00 C ATOM 0 H ALA A 16 -18.736 -6.260 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.589 -8.133 -2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.418 -9.780 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.763 -8.424 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.555 -8.502 -3.272 1.00 0.00 H new ATOM 229 N HIS A 17 -18.097 -7.931 -5.683 1.00 0.00 N ATOM 230 CA HIS A 17 -17.932 -8.271 -7.089 1.00 0.00 C ATOM 231 C HIS A 17 -16.690 -7.604 -7.658 1.00 0.00 C ATOM 232 O HIS A 17 -16.012 -8.168 -8.517 1.00 0.00 O ATOM 233 CB HIS A 17 -19.160 -7.871 -7.905 1.00 0.00 C ATOM 234 CG HIS A 17 -19.617 -8.950 -8.838 1.00 0.00 C ATOM 235 ND1 HIS A 17 -19.368 -10.289 -8.621 1.00 0.00 N ATOM 236 CD2 HIS A 17 -20.309 -8.886 -10.001 1.00 0.00 C ATOM 237 CE1 HIS A 17 -19.883 -10.997 -9.605 1.00 0.00 C ATOM 238 NE2 HIS A 17 -20.463 -10.173 -10.456 1.00 0.00 N ATOM 0 H HIS A 17 -18.907 -7.347 -5.478 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.816 -9.353 -7.155 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.974 -7.616 -7.226 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.931 -6.974 -8.480 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -18.863 -10.672 -7.822 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -20.672 -7.989 -10.481 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -19.838 -12.072 -9.699 1.00 0.00 H new ATOM 247 N VAL A 18 -16.393 -6.401 -7.179 1.00 0.00 N ATOM 248 CA VAL A 18 -15.164 -5.720 -7.555 1.00 0.00 C ATOM 249 C VAL A 18 -13.970 -6.489 -7.003 1.00 0.00 C ATOM 250 O VAL A 18 -12.962 -6.671 -7.687 1.00 0.00 O ATOM 251 CB VAL A 18 -15.158 -4.255 -7.054 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.778 -3.809 -6.583 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.662 -3.335 -8.148 1.00 0.00 C ATOM 0 H VAL A 18 -16.985 -5.881 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.098 -5.689 -8.643 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.823 -4.200 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.827 -2.775 -6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.450 -4.447 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.070 -3.886 -7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.655 -2.306 -7.789 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.015 -3.419 -9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.679 -3.618 -8.421 1.00 0.00 H new ATOM 263 N LYS A 19 -14.114 -6.964 -5.770 1.00 0.00 N ATOM 264 CA LYS A 19 -13.104 -7.795 -5.136 1.00 0.00 C ATOM 265 C LYS A 19 -12.821 -9.029 -5.986 1.00 0.00 C ATOM 266 O LYS A 19 -11.668 -9.346 -6.277 1.00 0.00 O ATOM 267 CB LYS A 19 -13.588 -8.213 -3.748 1.00 0.00 C ATOM 268 CG LYS A 19 -12.474 -8.535 -2.775 1.00 0.00 C ATOM 269 CD LYS A 19 -13.023 -8.797 -1.385 1.00 0.00 C ATOM 270 CE LYS A 19 -12.530 -10.123 -0.828 1.00 0.00 C ATOM 271 NZ LYS A 19 -12.542 -11.196 -1.853 1.00 0.00 N ATOM 0 H LYS A 19 -14.931 -6.783 -5.187 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.181 -7.224 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.199 -7.412 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.232 -9.086 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.924 -9.409 -3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.766 -7.707 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.725 -7.988 -0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.112 -8.798 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.518 -10.001 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.157 -10.418 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.869 -12.084 -1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.184 -10.930 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.581 -11.327 -2.229 1.00 0.00 H new ATOM 285 N GLU A 20 -13.887 -9.703 -6.398 1.00 0.00 N ATOM 286 CA GLU A 20 -13.769 -10.895 -7.223 1.00 0.00 C ATOM 287 C GLU A 20 -13.190 -10.565 -8.590 1.00 0.00 C ATOM 288 O GLU A 20 -12.427 -11.351 -9.149 1.00 0.00 O ATOM 289 CB GLU A 20 -15.128 -11.577 -7.378 1.00 0.00 C ATOM 290 CG GLU A 20 -15.746 -11.990 -6.057 1.00 0.00 C ATOM 291 CD GLU A 20 -17.222 -12.299 -6.172 1.00 0.00 C ATOM 292 OE1 GLU A 20 -17.952 -11.526 -6.822 1.00 0.00 O ATOM 293 OE2 GLU A 20 -17.657 -13.324 -5.606 1.00 0.00 O ATOM 0 H GLU A 20 -14.847 -9.442 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.085 -11.580 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.809 -10.901 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.015 -12.458 -8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.224 -12.868 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.602 -11.192 -5.328 1.00 0.00 H new ATOM 300 N ALA A 21 -13.554 -9.406 -9.125 1.00 0.00 N ATOM 301 CA ALA A 21 -13.017 -8.960 -10.402 1.00 0.00 C ATOM 302 C ALA A 21 -11.511 -8.774 -10.300 1.00 0.00 C ATOM 303 O ALA A 21 -10.765 -9.133 -11.209 1.00 0.00 O ATOM 304 CB ALA A 21 -13.686 -7.666 -10.842 1.00 0.00 C ATOM 0 H ALA A 21 -14.217 -8.761 -8.695 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.225 -9.723 -11.152 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.271 -7.349 -11.799 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.759 -7.829 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.508 -6.892 -10.095 1.00 0.00 H new ATOM 310 N LEU A 22 -11.075 -8.219 -9.175 1.00 0.00 N ATOM 311 CA LEU A 22 -9.661 -8.019 -8.915 1.00 0.00 C ATOM 312 C LEU A 22 -8.955 -9.359 -8.733 1.00 0.00 C ATOM 313 O LEU A 22 -7.873 -9.585 -9.267 1.00 0.00 O ATOM 314 CB LEU A 22 -9.470 -7.146 -7.674 1.00 0.00 C ATOM 315 CG LEU A 22 -9.938 -5.698 -7.821 1.00 0.00 C ATOM 316 CD1 LEU A 22 -10.276 -5.108 -6.463 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.877 -4.861 -8.514 1.00 0.00 C ATOM 0 H LEU A 22 -11.688 -7.899 -8.426 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.220 -7.511 -9.773 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.006 -7.602 -6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.413 -7.145 -7.409 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.838 -5.689 -8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.607 -4.077 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.072 -5.692 -6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.392 -5.131 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.229 -3.834 -8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.959 -4.877 -7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.680 -5.270 -9.505 1.00 0.00 H new ATOM 329 N GLU A 23 -9.590 -10.250 -7.977 1.00 0.00 N ATOM 330 CA GLU A 23 -9.033 -11.568 -7.707 1.00 0.00 C ATOM 331 C GLU A 23 -9.159 -12.490 -8.917 1.00 0.00 C ATOM 332 O GLU A 23 -8.601 -13.590 -8.932 1.00 0.00 O ATOM 333 CB GLU A 23 -9.710 -12.189 -6.490 1.00 0.00 C ATOM 334 CG GLU A 23 -9.032 -11.818 -5.184 1.00 0.00 C ATOM 335 CD GLU A 23 -9.912 -12.061 -3.977 1.00 0.00 C ATOM 336 OE1 GLU A 23 -9.970 -13.216 -3.501 1.00 0.00 O ATOM 337 OE2 GLU A 23 -10.536 -11.103 -3.492 1.00 0.00 O ATOM 0 H GLU A 23 -10.495 -10.080 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.971 -11.444 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.751 -11.869 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.713 -13.274 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.113 -12.395 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.746 -10.767 -5.214 1.00 0.00 H new ATOM 344 N LYS A 24 -9.907 -12.050 -9.921 1.00 0.00 N ATOM 345 CA LYS A 24 -9.988 -12.766 -11.188 1.00 0.00 C ATOM 346 C LYS A 24 -8.694 -12.546 -11.968 1.00 0.00 C ATOM 347 O LYS A 24 -8.308 -13.356 -12.818 1.00 0.00 O ATOM 348 CB LYS A 24 -11.213 -12.290 -11.989 1.00 0.00 C ATOM 349 CG LYS A 24 -11.001 -12.219 -13.497 1.00 0.00 C ATOM 350 CD LYS A 24 -11.989 -13.101 -14.243 1.00 0.00 C ATOM 351 CE LYS A 24 -12.214 -12.607 -15.666 1.00 0.00 C ATOM 352 NZ LYS A 24 -10.984 -12.717 -16.494 1.00 0.00 N ATOM 0 H LYS A 24 -10.468 -11.199 -9.882 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.109 -13.834 -11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.047 -12.962 -11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.503 -11.303 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.108 -11.187 -13.832 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.984 -12.528 -13.737 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.618 -14.126 -14.267 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.939 -13.118 -13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.015 -13.184 -16.128 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.543 -11.568 -15.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.189 -12.402 -17.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.237 -12.119 -16.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.665 -13.707 -16.511 1.00 0.00 H new ATOM 366 N VAL A 25 -8.023 -11.449 -11.648 1.00 0.00 N ATOM 367 CA VAL A 25 -6.740 -11.125 -12.242 1.00 0.00 C ATOM 368 C VAL A 25 -5.644 -11.973 -11.600 1.00 0.00 C ATOM 369 O VAL A 25 -5.425 -11.908 -10.390 1.00 0.00 O ATOM 370 CB VAL A 25 -6.414 -9.625 -12.067 1.00 0.00 C ATOM 371 CG1 VAL A 25 -4.997 -9.305 -12.531 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.429 -8.775 -12.813 1.00 0.00 C ATOM 0 H VAL A 25 -8.354 -10.762 -10.971 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.790 -11.343 -13.309 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.473 -9.389 -11.004 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.801 -8.242 -12.394 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.283 -9.884 -11.946 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.893 -9.560 -13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.187 -7.720 -12.681 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.402 -9.024 -13.874 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.427 -8.971 -12.420 1.00 0.00 H new ATOM 382 N PRO A 26 -4.942 -12.784 -12.405 1.00 0.00 N ATOM 383 CA PRO A 26 -3.916 -13.714 -11.908 1.00 0.00 C ATOM 384 C PRO A 26 -2.660 -13.014 -11.383 1.00 0.00 C ATOM 385 O PRO A 26 -1.718 -13.666 -10.927 1.00 0.00 O ATOM 386 CB PRO A 26 -3.587 -14.570 -13.135 1.00 0.00 C ATOM 387 CG PRO A 26 -3.949 -13.722 -14.305 1.00 0.00 C ATOM 388 CD PRO A 26 -5.108 -12.872 -13.867 1.00 0.00 C ATOM 0 HA PRO A 26 -4.279 -14.284 -11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.531 -14.841 -13.156 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.155 -15.500 -13.131 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.106 -13.102 -14.612 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.221 -14.338 -15.162 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.081 -11.887 -14.333 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.062 -13.326 -14.135 1.00 0.00 H new ATOM 396 N GLY A 27 -2.648 -11.691 -11.441 1.00 0.00 N ATOM 397 CA GLY A 27 -1.541 -10.938 -10.884 1.00 0.00 C ATOM 398 C GLY A 27 -1.787 -10.578 -9.438 1.00 0.00 C ATOM 399 O GLY A 27 -0.949 -9.953 -8.791 1.00 0.00 O ATOM 0 H GLY A 27 -3.384 -11.125 -11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.625 -11.524 -10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.389 -10.029 -11.465 1.00 0.00 H new ATOM 403 N VAL A 28 -2.945 -10.967 -8.929 1.00 0.00 N ATOM 404 CA VAL A 28 -3.319 -10.653 -7.565 1.00 0.00 C ATOM 405 C VAL A 28 -2.977 -11.798 -6.612 1.00 0.00 C ATOM 406 O VAL A 28 -3.007 -12.975 -6.985 1.00 0.00 O ATOM 407 CB VAL A 28 -4.827 -10.313 -7.468 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.670 -11.553 -7.191 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.064 -9.252 -6.406 1.00 0.00 C ATOM 0 H VAL A 28 -3.643 -11.503 -9.445 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.742 -9.778 -7.266 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.140 -9.918 -8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.721 -11.272 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.533 -12.274 -7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.359 -12.001 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.128 -9.024 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.721 -9.621 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.513 -8.348 -6.665 1.00 0.00 H new ATOM 419 N GLN A 29 -2.617 -11.437 -5.394 1.00 0.00 N ATOM 420 CA GLN A 29 -2.453 -12.398 -4.323 1.00 0.00 C ATOM 421 C GLN A 29 -3.681 -12.357 -3.424 1.00 0.00 C ATOM 422 O GLN A 29 -4.195 -13.398 -3.016 1.00 0.00 O ATOM 423 CB GLN A 29 -1.192 -12.100 -3.509 1.00 0.00 C ATOM 424 CG GLN A 29 0.015 -11.738 -4.360 1.00 0.00 C ATOM 425 CD GLN A 29 1.110 -12.781 -4.293 1.00 0.00 C ATOM 426 OE1 GLN A 29 0.884 -13.957 -4.580 1.00 0.00 O ATOM 427 NE2 GLN A 29 2.305 -12.361 -3.913 1.00 0.00 N ATOM 0 H GLN A 29 -2.431 -10.472 -5.122 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.345 -13.394 -4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.400 -11.280 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.948 -12.971 -2.901 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.300 -11.614 -5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.412 -10.778 -4.030 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.451 -11.378 -3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.081 -13.020 -3.849 1.00 0.00 H new ATOM 436 N SER A 30 -4.151 -11.142 -3.130 1.00 0.00 N ATOM 437 CA SER A 30 -5.365 -10.957 -2.348 1.00 0.00 C ATOM 438 C SER A 30 -5.895 -9.539 -2.509 1.00 0.00 C ATOM 439 O SER A 30 -5.185 -8.566 -2.256 1.00 0.00 O ATOM 440 CB SER A 30 -5.102 -11.243 -0.868 1.00 0.00 C ATOM 441 OG SER A 30 -5.482 -12.565 -0.520 1.00 0.00 O ATOM 0 H SER A 30 -3.705 -10.273 -3.425 1.00 0.00 H new ATOM 0 HA SER A 30 -6.113 -11.659 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.044 -11.098 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.654 -10.531 -0.255 1.00 0.00 H new ATOM 0 HG SER A 30 -5.166 -13.188 -1.207 1.00 0.00 H new ATOM 447 N ALA A 31 -7.131 -9.427 -2.961 1.00 0.00 N ATOM 448 CA ALA A 31 -7.804 -8.145 -3.035 1.00 0.00 C ATOM 449 C ALA A 31 -8.603 -7.910 -1.761 1.00 0.00 C ATOM 450 O ALA A 31 -9.693 -8.448 -1.589 1.00 0.00 O ATOM 451 CB ALA A 31 -8.710 -8.088 -4.255 1.00 0.00 C ATOM 0 H ALA A 31 -7.692 -10.215 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.057 -7.357 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.207 -7.119 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.115 -8.227 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.459 -8.877 -4.189 1.00 0.00 H new ATOM 457 N LEU A 32 -8.056 -7.124 -0.859 1.00 0.00 N ATOM 458 CA LEU A 32 -8.708 -6.863 0.408 1.00 0.00 C ATOM 459 C LEU A 32 -9.446 -5.534 0.352 1.00 0.00 C ATOM 460 O LEU A 32 -9.034 -4.548 0.963 1.00 0.00 O ATOM 461 CB LEU A 32 -7.683 -6.875 1.542 1.00 0.00 C ATOM 462 CG LEU A 32 -6.993 -8.222 1.768 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.501 -8.032 1.994 1.00 0.00 C ATOM 464 CD2 LEU A 32 -7.622 -8.952 2.945 1.00 0.00 C ATOM 0 H LEU A 32 -7.159 -6.653 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.437 -7.650 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.922 -6.123 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.180 -6.578 2.465 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.128 -8.829 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.031 -9.002 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.059 -7.553 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.343 -7.405 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.119 -9.908 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.520 -8.346 3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.679 -9.125 2.743 1.00 0.00 H new ATOM 476 N VAL A 33 -10.527 -5.511 -0.409 1.00 0.00 N ATOM 477 CA VAL A 33 -11.354 -4.321 -0.531 1.00 0.00 C ATOM 478 C VAL A 33 -12.158 -4.103 0.744 1.00 0.00 C ATOM 479 O VAL A 33 -12.886 -4.993 1.189 1.00 0.00 O ATOM 480 CB VAL A 33 -12.323 -4.422 -1.727 1.00 0.00 C ATOM 481 CG1 VAL A 33 -12.972 -3.076 -2.014 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.606 -4.943 -2.962 1.00 0.00 C ATOM 0 H VAL A 33 -10.854 -6.308 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.685 -3.477 -0.697 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.108 -5.130 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.651 -3.173 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.530 -2.747 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.200 -2.343 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.310 -5.006 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.794 -4.265 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.199 -5.933 -2.756 1.00 0.00 H new ATOM 492 N SER A 34 -12.010 -2.926 1.326 1.00 0.00 N ATOM 493 CA SER A 34 -12.728 -2.565 2.533 1.00 0.00 C ATOM 494 C SER A 34 -13.967 -1.743 2.185 1.00 0.00 C ATOM 495 O SER A 34 -13.875 -0.546 1.891 1.00 0.00 O ATOM 496 CB SER A 34 -11.813 -1.777 3.477 1.00 0.00 C ATOM 497 OG SER A 34 -10.502 -2.322 3.489 1.00 0.00 O ATOM 0 H SER A 34 -11.390 -2.196 0.975 1.00 0.00 H new ATOM 0 HA SER A 34 -13.047 -3.477 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.774 -0.734 3.164 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.226 -1.792 4.486 1.00 0.00 H new ATOM 0 HG SER A 34 -9.937 -1.801 4.097 1.00 0.00 H new ATOM 503 N TYR A 35 -15.121 -2.399 2.220 1.00 0.00 N ATOM 504 CA TYR A 35 -16.390 -1.758 1.911 1.00 0.00 C ATOM 505 C TYR A 35 -16.699 -0.582 2.862 1.00 0.00 C ATOM 506 O TYR A 35 -17.129 0.469 2.392 1.00 0.00 O ATOM 507 CB TYR A 35 -17.526 -2.811 1.858 1.00 0.00 C ATOM 508 CG TYR A 35 -18.575 -2.740 2.954 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.569 -1.766 2.941 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.578 -3.661 3.995 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.529 -1.711 3.932 1.00 0.00 C ATOM 512 CE2 TYR A 35 -19.536 -3.611 4.991 1.00 0.00 C ATOM 513 CZ TYR A 35 -20.508 -2.632 4.956 1.00 0.00 C ATOM 514 OH TYR A 35 -21.465 -2.576 5.943 1.00 0.00 O ATOM 0 H TYR A 35 -15.202 -3.386 2.463 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.314 -1.311 0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.032 -2.718 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.073 -3.802 1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.590 -1.040 2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.819 -4.429 4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.293 -0.949 3.904 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.524 -4.335 5.793 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.311 -3.296 6.590 1.00 0.00 H new ATOM 524 N PRO A 36 -16.478 -0.702 4.198 1.00 0.00 N ATOM 525 CA PRO A 36 -16.795 0.386 5.135 1.00 0.00 C ATOM 526 C PRO A 36 -15.889 1.605 4.956 1.00 0.00 C ATOM 527 O PRO A 36 -16.204 2.699 5.427 1.00 0.00 O ATOM 528 CB PRO A 36 -16.571 -0.235 6.523 1.00 0.00 C ATOM 529 CG PRO A 36 -16.468 -1.705 6.297 1.00 0.00 C ATOM 530 CD PRO A 36 -15.922 -1.868 4.910 1.00 0.00 C ATOM 0 HA PRO A 36 -17.809 0.755 4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.663 0.155 6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.396 0.001 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.811 -2.169 7.033 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.442 -2.185 6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.832 -1.864 4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.241 -2.807 4.458 1.00 0.00 H new ATOM 538 N LYS A 37 -14.765 1.413 4.275 1.00 0.00 N ATOM 539 CA LYS A 37 -13.791 2.480 4.101 1.00 0.00 C ATOM 540 C LYS A 37 -13.823 3.038 2.681 1.00 0.00 C ATOM 541 O LYS A 37 -13.319 4.130 2.422 1.00 0.00 O ATOM 542 CB LYS A 37 -12.390 1.963 4.429 1.00 0.00 C ATOM 543 CG LYS A 37 -11.946 2.279 5.848 1.00 0.00 C ATOM 544 CD LYS A 37 -10.571 1.707 6.146 1.00 0.00 C ATOM 545 CE LYS A 37 -9.641 2.766 6.716 1.00 0.00 C ATOM 546 NZ LYS A 37 -8.251 2.265 6.869 1.00 0.00 N ATOM 0 H LYS A 37 -14.507 0.529 3.836 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.050 3.289 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.365 0.883 4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.677 2.397 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.930 3.359 5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.670 1.874 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.664 0.883 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.141 1.296 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.642 3.638 6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.016 3.094 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.651 3.019 7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.245 1.449 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.882 1.976 5.941 1.00 0.00 H new ATOM 560 N GLY A 38 -14.412 2.283 1.763 1.00 0.00 N ATOM 561 CA GLY A 38 -14.455 2.706 0.375 1.00 0.00 C ATOM 562 C GLY A 38 -13.089 2.648 -0.276 1.00 0.00 C ATOM 563 O GLY A 38 -12.782 3.414 -1.190 1.00 0.00 O ATOM 0 H GLY A 38 -14.860 1.387 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.147 2.070 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.842 3.724 0.317 1.00 0.00 H new ATOM 567 N THR A 39 -12.260 1.736 0.202 1.00 0.00 N ATOM 568 CA THR A 39 -10.910 1.593 -0.314 1.00 0.00 C ATOM 569 C THR A 39 -10.575 0.123 -0.502 1.00 0.00 C ATOM 570 O THR A 39 -11.186 -0.738 0.123 1.00 0.00 O ATOM 571 CB THR A 39 -9.880 2.232 0.636 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.543 2.731 1.806 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.133 3.363 -0.051 1.00 0.00 C ATOM 0 H THR A 39 -12.499 1.083 0.948 1.00 0.00 H new ATOM 0 HA THR A 39 -10.864 2.107 -1.274 1.00 0.00 H new ATOM 0 HB THR A 39 -9.158 1.467 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.927 2.703 2.568 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.412 3.797 0.642 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.609 2.975 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.842 4.130 -0.364 1.00 0.00 H new ATOM 581 N ALA A 40 -9.613 -0.165 -1.361 1.00 0.00 N ATOM 582 CA ALA A 40 -9.226 -1.537 -1.633 1.00 0.00 C ATOM 583 C ALA A 40 -7.739 -1.748 -1.385 1.00 0.00 C ATOM 584 O ALA A 40 -6.902 -1.052 -1.963 1.00 0.00 O ATOM 585 CB ALA A 40 -9.576 -1.904 -3.066 1.00 0.00 C ATOM 0 H ALA A 40 -9.085 0.535 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.777 -2.186 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.281 -2.935 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.650 -1.799 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.047 -1.241 -3.751 1.00 0.00 H new ATOM 591 N GLN A 41 -7.414 -2.697 -0.519 1.00 0.00 N ATOM 592 CA GLN A 41 -6.031 -3.080 -0.291 1.00 0.00 C ATOM 593 C GLN A 41 -5.678 -4.213 -1.247 1.00 0.00 C ATOM 594 O GLN A 41 -6.061 -5.363 -1.041 1.00 0.00 O ATOM 595 CB GLN A 41 -5.821 -3.485 1.182 1.00 0.00 C ATOM 596 CG GLN A 41 -4.734 -4.532 1.423 1.00 0.00 C ATOM 597 CD GLN A 41 -3.338 -4.053 1.067 1.00 0.00 C ATOM 598 OE1 GLN A 41 -3.150 -2.937 0.587 1.00 0.00 O ATOM 599 NE2 GLN A 41 -2.345 -4.905 1.280 1.00 0.00 N ATOM 0 H GLN A 41 -8.092 -3.216 0.038 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.368 -2.237 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.575 -2.591 1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.763 -3.867 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.751 -4.826 2.472 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.963 -5.423 0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.538 -5.823 1.680 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.388 -4.642 1.044 1.00 0.00 H new ATOM 608 N LEU A 42 -4.986 -3.876 -2.316 1.00 0.00 N ATOM 609 CA LEU A 42 -4.673 -4.855 -3.338 1.00 0.00 C ATOM 610 C LEU A 42 -3.277 -5.410 -3.140 1.00 0.00 C ATOM 611 O LEU A 42 -2.283 -4.680 -3.221 1.00 0.00 O ATOM 612 CB LEU A 42 -4.795 -4.240 -4.735 1.00 0.00 C ATOM 613 CG LEU A 42 -6.121 -4.492 -5.458 1.00 0.00 C ATOM 614 CD1 LEU A 42 -6.109 -5.856 -6.122 1.00 0.00 C ATOM 615 CD2 LEU A 42 -7.297 -4.379 -4.501 1.00 0.00 C ATOM 0 H LEU A 42 -4.631 -2.938 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.391 -5.671 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.646 -3.163 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.986 -4.627 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.237 -3.728 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.058 -6.021 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.296 -5.901 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.965 -6.628 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.225 -4.563 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.190 -5.115 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.320 -3.378 -4.070 1.00 0.00 H new ATOM 627 N ALA A 43 -3.203 -6.697 -2.862 1.00 0.00 N ATOM 628 CA ALA A 43 -1.935 -7.375 -2.781 1.00 0.00 C ATOM 629 C ALA A 43 -1.624 -7.992 -4.129 1.00 0.00 C ATOM 630 O ALA A 43 -1.926 -9.154 -4.370 1.00 0.00 O ATOM 631 CB ALA A 43 -1.962 -8.431 -1.689 1.00 0.00 C ATOM 0 H ALA A 43 -4.013 -7.292 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.152 -6.661 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.995 -8.932 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.171 -7.957 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.740 -9.162 -1.909 1.00 0.00 H new ATOM 637 N ILE A 44 -1.075 -7.188 -5.022 1.00 0.00 N ATOM 638 CA ILE A 44 -0.724 -7.650 -6.356 1.00 0.00 C ATOM 639 C ILE A 44 0.761 -7.957 -6.436 1.00 0.00 C ATOM 640 O ILE A 44 1.560 -7.397 -5.681 1.00 0.00 O ATOM 641 CB ILE A 44 -1.085 -6.613 -7.443 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.934 -5.185 -6.907 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.500 -6.848 -7.952 1.00 0.00 C ATOM 644 CD1 ILE A 44 -0.089 -4.293 -7.791 1.00 0.00 C ATOM 0 H ILE A 44 -0.861 -6.206 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.303 -8.555 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.393 -6.736 -8.276 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.923 -4.741 -6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.489 -5.224 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.739 -6.109 -8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.572 -7.848 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.204 -6.755 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.026 -3.298 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.912 -4.714 -7.882 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.544 -4.223 -8.779 1.00 0.00 H new ATOM 656 N VAL A 45 1.123 -8.851 -7.339 1.00 0.00 N ATOM 657 CA VAL A 45 2.516 -9.219 -7.523 1.00 0.00 C ATOM 658 C VAL A 45 3.244 -8.120 -8.288 1.00 0.00 C ATOM 659 O VAL A 45 2.746 -7.649 -9.314 1.00 0.00 O ATOM 660 CB VAL A 45 2.654 -10.556 -8.287 1.00 0.00 C ATOM 661 CG1 VAL A 45 4.071 -11.097 -8.178 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.654 -11.581 -7.771 1.00 0.00 C ATOM 0 H VAL A 45 0.472 -9.336 -7.957 1.00 0.00 H new ATOM 0 HA VAL A 45 2.961 -9.343 -6.536 1.00 0.00 H new ATOM 0 HB VAL A 45 2.438 -10.365 -9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.144 -12.038 -8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.769 -10.376 -8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.317 -11.265 -7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.770 -12.513 -8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.833 -11.763 -6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.641 -11.202 -7.908 1.00 0.00 H new ATOM 672 N PRO A 46 4.411 -7.675 -7.781 1.00 0.00 N ATOM 673 CA PRO A 46 5.224 -6.646 -8.437 1.00 0.00 C ATOM 674 C PRO A 46 5.423 -6.941 -9.918 1.00 0.00 C ATOM 675 O PRO A 46 5.976 -7.978 -10.290 1.00 0.00 O ATOM 676 CB PRO A 46 6.553 -6.710 -7.684 1.00 0.00 C ATOM 677 CG PRO A 46 6.191 -7.205 -6.329 1.00 0.00 C ATOM 678 CD PRO A 46 5.024 -8.137 -6.522 1.00 0.00 C ATOM 0 HA PRO A 46 4.756 -5.662 -8.403 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.256 -7.381 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.029 -5.730 -7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.031 -7.723 -5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.925 -6.378 -5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.348 -9.175 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.322 -8.078 -5.690 1.00 0.00 H new ATOM 686 N GLY A 47 4.948 -6.032 -10.753 1.00 0.00 N ATOM 687 CA GLY A 47 4.984 -6.232 -12.185 1.00 0.00 C ATOM 688 C GLY A 47 3.618 -6.025 -12.800 1.00 0.00 C ATOM 689 O GLY A 47 3.497 -5.519 -13.919 1.00 0.00 O ATOM 0 H GLY A 47 4.533 -5.148 -10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.697 -5.540 -12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.336 -7.240 -12.405 1.00 0.00 H new ATOM 693 N THR A 48 2.588 -6.416 -12.064 1.00 0.00 N ATOM 694 CA THR A 48 1.217 -6.232 -12.508 1.00 0.00 C ATOM 695 C THR A 48 0.790 -4.777 -12.366 1.00 0.00 C ATOM 696 O THR A 48 0.935 -4.177 -11.301 1.00 0.00 O ATOM 697 CB THR A 48 0.248 -7.134 -11.718 1.00 0.00 C ATOM 698 OG1 THR A 48 0.947 -8.283 -11.212 1.00 0.00 O ATOM 699 CG2 THR A 48 -0.914 -7.581 -12.596 1.00 0.00 C ATOM 0 H THR A 48 2.678 -6.865 -11.152 1.00 0.00 H new ATOM 0 HA THR A 48 1.177 -6.513 -13.560 1.00 0.00 H new ATOM 0 HB THR A 48 -0.151 -6.558 -10.883 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.325 -8.075 -10.332 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.584 -8.216 -12.017 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.459 -6.706 -12.951 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.531 -8.141 -13.449 1.00 0.00 H new ATOM 707 N SER A 49 0.278 -4.217 -13.450 1.00 0.00 N ATOM 708 CA SER A 49 -0.132 -2.829 -13.472 1.00 0.00 C ATOM 709 C SER A 49 -1.447 -2.628 -12.719 1.00 0.00 C ATOM 710 O SER A 49 -2.486 -3.158 -13.114 1.00 0.00 O ATOM 711 CB SER A 49 -0.273 -2.370 -14.919 1.00 0.00 C ATOM 712 OG SER A 49 0.375 -3.278 -15.797 1.00 0.00 O ATOM 0 H SER A 49 0.137 -4.710 -14.332 1.00 0.00 H new ATOM 0 HA SER A 49 0.629 -2.231 -12.971 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.328 -2.293 -15.181 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.157 -1.375 -15.034 1.00 0.00 H new ATOM 0 HG SER A 49 -0.267 -3.954 -16.100 1.00 0.00 H new ATOM 718 N PRO A 50 -1.423 -1.850 -11.626 1.00 0.00 N ATOM 719 CA PRO A 50 -2.611 -1.610 -10.808 1.00 0.00 C ATOM 720 C PRO A 50 -3.564 -0.603 -11.434 1.00 0.00 C ATOM 721 O PRO A 50 -4.741 -0.541 -11.073 1.00 0.00 O ATOM 722 CB PRO A 50 -2.033 -1.076 -9.499 1.00 0.00 C ATOM 723 CG PRO A 50 -0.757 -0.411 -9.890 1.00 0.00 C ATOM 724 CD PRO A 50 -0.233 -1.159 -11.090 1.00 0.00 C ATOM 0 HA PRO A 50 -3.211 -2.512 -10.687 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.716 -0.373 -9.023 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.857 -1.882 -8.786 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.925 0.639 -10.130 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.038 -0.440 -9.071 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.200 -0.481 -11.825 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.547 -1.867 -10.810 1.00 0.00 H new ATOM 732 N ASP A 51 -3.062 0.158 -12.394 1.00 0.00 N ATOM 733 CA ASP A 51 -3.867 1.134 -13.097 1.00 0.00 C ATOM 734 C ASP A 51 -4.815 0.411 -14.032 1.00 0.00 C ATOM 735 O ASP A 51 -5.845 0.942 -14.450 1.00 0.00 O ATOM 736 CB ASP A 51 -2.961 2.097 -13.864 1.00 0.00 C ATOM 737 CG ASP A 51 -2.725 1.700 -15.312 1.00 0.00 C ATOM 738 OD1 ASP A 51 -2.144 0.620 -15.549 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.144 2.453 -16.219 1.00 0.00 O ATOM 0 H ASP A 51 -2.091 0.114 -12.703 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.453 1.718 -12.388 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.402 3.093 -13.838 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.000 2.160 -13.354 1.00 0.00 H new ATOM 744 N ALA A 52 -4.461 -0.829 -14.325 1.00 0.00 N ATOM 745 CA ALA A 52 -5.284 -1.679 -15.156 1.00 0.00 C ATOM 746 C ALA A 52 -6.481 -2.171 -14.363 1.00 0.00 C ATOM 747 O ALA A 52 -7.559 -2.393 -14.908 1.00 0.00 O ATOM 748 CB ALA A 52 -4.476 -2.846 -15.705 1.00 0.00 C ATOM 0 H ALA A 52 -3.602 -1.268 -13.995 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.643 -1.099 -16.006 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.116 -3.471 -16.327 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.648 -2.466 -16.304 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.084 -3.438 -14.878 1.00 0.00 H new ATOM 754 N LEU A 53 -6.282 -2.317 -13.060 1.00 0.00 N ATOM 755 CA LEU A 53 -7.352 -2.710 -12.158 1.00 0.00 C ATOM 756 C LEU A 53 -8.339 -1.562 -12.026 1.00 0.00 C ATOM 757 O LEU A 53 -9.554 -1.762 -12.056 1.00 0.00 O ATOM 758 CB LEU A 53 -6.787 -3.083 -10.785 1.00 0.00 C ATOM 759 CG LEU A 53 -5.582 -4.031 -10.807 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.921 -4.087 -9.440 1.00 0.00 C ATOM 761 CD2 LEU A 53 -6.010 -5.423 -11.246 1.00 0.00 C ATOM 0 H LEU A 53 -5.382 -2.168 -12.603 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.861 -3.584 -12.564 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.499 -2.168 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.581 -3.544 -10.197 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.857 -3.648 -11.525 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.068 -4.765 -9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.581 -3.090 -9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.639 -4.446 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.143 -6.084 -11.256 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.754 -5.811 -10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.440 -5.373 -12.246 1.00 0.00 H new ATOM 773 N THR A 54 -7.798 -0.355 -11.907 1.00 0.00 N ATOM 774 CA THR A 54 -8.604 0.851 -11.854 1.00 0.00 C ATOM 775 C THR A 54 -9.471 0.976 -13.100 1.00 0.00 C ATOM 776 O THR A 54 -10.685 1.180 -13.009 1.00 0.00 O ATOM 777 CB THR A 54 -7.706 2.095 -11.736 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.484 1.754 -11.070 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.410 3.207 -10.982 1.00 0.00 C ATOM 0 H THR A 54 -6.794 -0.189 -11.845 1.00 0.00 H new ATOM 0 HA THR A 54 -9.247 0.784 -10.976 1.00 0.00 H new ATOM 0 HB THR A 54 -7.485 2.451 -12.742 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.917 2.550 -11.000 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.752 4.073 -10.914 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.322 3.484 -11.511 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.663 2.863 -9.979 1.00 0.00 H new ATOM 787 N ALA A 55 -8.838 0.825 -14.258 1.00 0.00 N ATOM 788 CA ALA A 55 -9.543 0.904 -15.528 1.00 0.00 C ATOM 789 C ALA A 55 -10.536 -0.241 -15.668 1.00 0.00 C ATOM 790 O ALA A 55 -11.615 -0.071 -16.237 1.00 0.00 O ATOM 791 CB ALA A 55 -8.552 0.900 -16.686 1.00 0.00 C ATOM 0 H ALA A 55 -7.837 0.647 -14.341 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.101 1.840 -15.553 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.095 0.960 -17.629 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.884 1.757 -16.597 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.967 -0.019 -16.661 1.00 0.00 H new ATOM 797 N ALA A 56 -10.176 -1.403 -15.135 1.00 0.00 N ATOM 798 CA ALA A 56 -11.060 -2.561 -15.174 1.00 0.00 C ATOM 799 C ALA A 56 -12.330 -2.294 -14.373 1.00 0.00 C ATOM 800 O ALA A 56 -13.435 -2.596 -14.826 1.00 0.00 O ATOM 801 CB ALA A 56 -10.354 -3.803 -14.649 1.00 0.00 C ATOM 0 H ALA A 56 -9.282 -1.568 -14.673 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.335 -2.739 -16.213 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.035 -4.653 -14.689 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.478 -4.011 -15.264 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.042 -3.636 -13.618 1.00 0.00 H new ATOM 807 N VAL A 57 -12.167 -1.718 -13.186 1.00 0.00 N ATOM 808 CA VAL A 57 -13.309 -1.394 -12.339 1.00 0.00 C ATOM 809 C VAL A 57 -14.130 -0.263 -12.954 1.00 0.00 C ATOM 810 O VAL A 57 -15.361 -0.322 -12.979 1.00 0.00 O ATOM 811 CB VAL A 57 -12.875 -1.011 -10.911 1.00 0.00 C ATOM 812 CG1 VAL A 57 -14.080 -0.642 -10.056 1.00 0.00 C ATOM 813 CG2 VAL A 57 -12.092 -2.145 -10.268 1.00 0.00 C ATOM 0 H VAL A 57 -11.261 -1.467 -12.791 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.925 -2.291 -12.273 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.227 -0.137 -10.978 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.747 -0.376 -9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.598 0.206 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.760 -1.492 -9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.794 -1.856 -9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.717 -3.037 -10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.203 -2.356 -10.862 1.00 0.00 H new ATOM 823 N ALA A 58 -13.445 0.759 -13.467 1.00 0.00 N ATOM 824 CA ALA A 58 -14.117 1.870 -14.133 1.00 0.00 C ATOM 825 C ALA A 58 -14.921 1.389 -15.340 1.00 0.00 C ATOM 826 O ALA A 58 -15.984 1.930 -15.650 1.00 0.00 O ATOM 827 CB ALA A 58 -13.105 2.925 -14.553 1.00 0.00 C ATOM 0 H ALA A 58 -12.429 0.839 -13.433 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.815 2.315 -13.424 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.621 3.747 -15.048 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.585 3.301 -13.672 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.383 2.483 -15.240 1.00 0.00 H new ATOM 833 N GLY A 59 -14.414 0.365 -16.011 1.00 0.00 N ATOM 834 CA GLY A 59 -15.105 -0.192 -17.160 1.00 0.00 C ATOM 835 C GLY A 59 -16.243 -1.115 -16.764 1.00 0.00 C ATOM 836 O GLY A 59 -17.093 -1.456 -17.587 1.00 0.00 O ATOM 0 H GLY A 59 -13.532 -0.093 -15.780 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.497 0.620 -17.773 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.394 -0.742 -17.776 1.00 0.00 H new ATOM 840 N LEU A 60 -16.274 -1.507 -15.497 1.00 0.00 N ATOM 841 CA LEU A 60 -17.309 -2.402 -14.996 1.00 0.00 C ATOM 842 C LEU A 60 -18.536 -1.623 -14.535 1.00 0.00 C ATOM 843 O LEU A 60 -19.391 -2.151 -13.830 1.00 0.00 O ATOM 844 CB LEU A 60 -16.768 -3.257 -13.850 1.00 0.00 C ATOM 845 CG LEU A 60 -16.546 -4.730 -14.188 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.219 -5.215 -13.624 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.696 -5.572 -13.659 1.00 0.00 C ATOM 0 H LEU A 60 -15.592 -1.218 -14.796 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.609 -3.056 -15.815 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.822 -2.831 -13.515 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.461 -3.193 -13.011 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.512 -4.836 -15.272 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.079 -6.266 -13.875 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.406 -4.629 -14.052 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.220 -5.098 -12.540 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.524 -6.619 -13.907 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.760 -5.461 -12.577 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.629 -5.240 -14.114 1.00 0.00 H new ATOM 859 N GLY A 61 -18.611 -0.364 -14.942 1.00 0.00 N ATOM 860 CA GLY A 61 -19.742 0.471 -14.581 1.00 0.00 C ATOM 861 C GLY A 61 -19.506 1.235 -13.295 1.00 0.00 C ATOM 862 O GLY A 61 -20.291 2.112 -12.929 1.00 0.00 O ATOM 0 H GLY A 61 -17.907 0.097 -15.518 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.942 1.176 -15.388 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.630 -0.151 -14.473 1.00 0.00 H new ATOM 866 N TYR A 62 -18.418 0.910 -12.616 1.00 0.00 N ATOM 867 CA TYR A 62 -18.085 1.544 -11.352 1.00 0.00 C ATOM 868 C TYR A 62 -17.157 2.731 -11.579 1.00 0.00 C ATOM 869 O TYR A 62 -16.829 3.064 -12.720 1.00 0.00 O ATOM 870 CB TYR A 62 -17.417 0.534 -10.419 1.00 0.00 C ATOM 871 CG TYR A 62 -18.191 -0.757 -10.245 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.459 -0.755 -9.680 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.659 -1.972 -10.658 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.177 -1.927 -9.532 1.00 0.00 C ATOM 875 CE2 TYR A 62 -18.372 -3.147 -10.517 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.593 -3.133 -9.897 1.00 0.00 C ATOM 877 OH TYR A 62 -20.341 -4.288 -9.815 1.00 0.00 O ATOM 0 H TYR A 62 -17.747 0.206 -12.922 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.006 1.902 -10.891 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.425 0.300 -10.805 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.278 0.996 -9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -19.892 0.178 -9.350 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.672 -1.999 -11.096 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.182 -1.905 -9.137 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.967 -4.074 -10.895 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.798 -5.051 -10.104 1.00 0.00 H new ATOM 887 N LYS A 63 -16.738 3.368 -10.494 1.00 0.00 N ATOM 888 CA LYS A 63 -15.819 4.489 -10.577 1.00 0.00 C ATOM 889 C LYS A 63 -14.641 4.263 -9.641 1.00 0.00 C ATOM 890 O LYS A 63 -14.700 4.594 -8.459 1.00 0.00 O ATOM 891 CB LYS A 63 -16.535 5.794 -10.218 1.00 0.00 C ATOM 892 CG LYS A 63 -16.934 6.621 -11.428 1.00 0.00 C ATOM 893 CD LYS A 63 -18.426 6.514 -11.706 1.00 0.00 C ATOM 894 CE LYS A 63 -18.769 6.977 -13.111 1.00 0.00 C ATOM 895 NZ LYS A 63 -20.229 6.904 -13.380 1.00 0.00 N ATOM 0 H LYS A 63 -17.022 3.125 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.451 4.566 -11.600 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.427 5.561 -9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.885 6.391 -9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.667 7.665 -11.261 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.375 6.285 -12.301 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.748 5.481 -11.574 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.976 7.114 -10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.426 8.002 -13.249 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.236 6.362 -13.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.420 7.229 -14.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.553 5.921 -13.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.737 7.511 -12.705 1.00 0.00 H new ATOM 909 N ALA A 64 -13.577 3.677 -10.159 1.00 0.00 N ATOM 910 CA ALA A 64 -12.420 3.383 -9.336 1.00 0.00 C ATOM 911 C ALA A 64 -11.352 4.458 -9.466 1.00 0.00 C ATOM 912 O ALA A 64 -11.219 5.104 -10.505 1.00 0.00 O ATOM 913 CB ALA A 64 -11.839 2.028 -9.696 1.00 0.00 C ATOM 0 H ALA A 64 -13.490 3.398 -11.136 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.754 3.364 -8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.972 1.825 -9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.591 1.256 -9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.536 2.029 -10.743 1.00 0.00 H new ATOM 919 N THR A 65 -10.609 4.647 -8.391 1.00 0.00 N ATOM 920 CA THR A 65 -9.459 5.533 -8.381 1.00 0.00 C ATOM 921 C THR A 65 -8.303 4.837 -7.664 1.00 0.00 C ATOM 922 O THR A 65 -8.294 3.609 -7.557 1.00 0.00 O ATOM 923 CB THR A 65 -9.790 6.874 -7.693 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.175 6.898 -7.317 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.492 8.045 -8.620 1.00 0.00 C ATOM 0 H THR A 65 -10.787 4.189 -7.497 1.00 0.00 H new ATOM 0 HA THR A 65 -9.176 5.756 -9.410 1.00 0.00 H new ATOM 0 HB THR A 65 -9.167 6.968 -6.803 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.380 7.750 -6.879 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.733 8.980 -8.114 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.435 8.038 -8.886 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.095 7.956 -9.524 1.00 0.00 H new ATOM 933 N LEU A 66 -7.353 5.596 -7.145 1.00 0.00 N ATOM 934 CA LEU A 66 -6.215 5.003 -6.460 1.00 0.00 C ATOM 935 C LEU A 66 -5.647 5.962 -5.429 1.00 0.00 C ATOM 936 O LEU A 66 -5.719 7.181 -5.597 1.00 0.00 O ATOM 937 CB LEU A 66 -5.125 4.605 -7.461 1.00 0.00 C ATOM 938 CG LEU A 66 -4.649 5.725 -8.393 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.167 6.003 -8.184 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.924 5.357 -9.843 1.00 0.00 C ATOM 0 H LEU A 66 -7.345 6.615 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.564 4.106 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.266 4.227 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.498 3.782 -8.071 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.203 6.633 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.848 6.801 -8.855 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.996 6.307 -7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.594 5.100 -8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.581 6.161 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.394 4.438 -10.092 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.995 5.208 -9.984 1.00 0.00 H new ATOM 952 N ALA A 67 -5.101 5.402 -4.361 1.00 0.00 N ATOM 953 CA ALA A 67 -4.487 6.191 -3.305 1.00 0.00 C ATOM 954 C ALA A 67 -3.269 5.466 -2.751 1.00 0.00 C ATOM 955 O ALA A 67 -3.384 4.632 -1.853 1.00 0.00 O ATOM 956 CB ALA A 67 -5.496 6.476 -2.201 1.00 0.00 C ATOM 0 H ALA A 67 -5.071 4.395 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.161 7.144 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.021 7.067 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.339 7.030 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.851 5.535 -1.780 1.00 0.00 H new ATOM 962 N ASP A 68 -2.102 5.781 -3.295 1.00 0.00 N ATOM 963 CA ASP A 68 -0.867 5.119 -2.908 1.00 0.00 C ATOM 964 C ASP A 68 -0.316 5.677 -1.597 1.00 0.00 C ATOM 965 O ASP A 68 0.838 6.097 -1.515 1.00 0.00 O ATOM 966 CB ASP A 68 0.185 5.216 -4.023 1.00 0.00 C ATOM 967 CG ASP A 68 0.502 6.639 -4.470 1.00 0.00 C ATOM 968 OD1 ASP A 68 -0.131 7.579 -3.936 1.00 0.00 O ATOM 969 OD2 ASP A 68 1.383 6.833 -5.332 1.00 0.00 O ATOM 0 H ASP A 68 -1.986 6.497 -4.012 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.100 4.066 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.105 4.743 -3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.164 4.647 -4.885 1.00 0.00 H new ATOM 974 N ALA A 69 -1.149 5.660 -0.569 1.00 0.00 N ATOM 975 CA ALA A 69 -0.762 6.163 0.735 1.00 0.00 C ATOM 976 C ALA A 69 -0.251 5.027 1.609 1.00 0.00 C ATOM 977 O ALA A 69 -0.980 4.024 1.762 1.00 0.00 O ATOM 978 CB ALA A 69 -1.934 6.868 1.400 1.00 0.00 C ATOM 979 OXT ALA A 69 0.883 5.130 2.119 1.00 0.00 O ATOM 0 H ALA A 69 -2.102 5.301 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 69 0.043 6.886 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.628 7.240 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.256 7.704 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.759 6.167 1.521 1.00 0.00 H new TER 985 ALA A 69