USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 495 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 67 THR OG1 : rot -57:sc= 1.29 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.684 K(o=2,f=-2.8!) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -2.4 K(o=-1.3,f=-8.9) USER MOD Set 2.2: A 35 THR OG1 : rot 49:sc= 1.11 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.397 USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0538 (180deg=-0.511) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= -0.0598 (180deg=-0.541) USER MOD Single : A 59 CYS SG : rot -4:sc= -0.99 USER MOD Single : A 60 LYS NZ :NH3+ 170:sc=-0.00583 (180deg=-0.017) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= -1.06 (180deg=-1.06) USER MOD Single : A 69 MET CE :methyl 133:sc= -0.111 (180deg=-0.971) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.751 F(o=-1.8!,f=-0.75) USER MOD Single : A 72 ASN : amide:sc=-0.00693 K(o=-0.0069,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.141) USER MOD Single : A 78 LYS NZ :NH3+ -151:sc= -0.0722 (180deg=-0.485) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 2.034 -1.154 -1.694 1.00 0.00 N ATOM 2 CA GLY A 25 2.707 0.166 -1.860 1.00 0.00 C ATOM 3 C GLY A 25 4.105 0.107 -1.254 1.00 0.00 C ATOM 4 O GLY A 25 4.361 0.686 -0.200 1.00 0.00 O ATOM 0 HA2 GLY A 25 2.769 0.424 -2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.122 0.947 -1.375 1.00 0.00 H new ATOM 7 N PRO A 26 5.004 -0.584 -1.901 1.00 0.00 N ATOM 8 CA PRO A 26 6.410 -0.728 -1.422 1.00 0.00 C ATOM 9 C PRO A 26 7.216 0.560 -1.601 1.00 0.00 C ATOM 10 O PRO A 26 7.053 1.273 -2.593 1.00 0.00 O ATOM 11 CB PRO A 26 6.967 -1.856 -2.291 1.00 0.00 C ATOM 12 CG PRO A 26 6.165 -1.816 -3.550 1.00 0.00 C ATOM 13 CD PRO A 26 4.775 -1.309 -3.162 1.00 0.00 C ATOM 0 HA PRO A 26 6.464 -0.941 -0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.027 -1.708 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.870 -2.821 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.628 -1.157 -4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.105 -2.805 -4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.359 -0.656 -3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.072 -2.131 -3.029 1.00 0.00 H new ATOM 21 N PHE A 27 8.087 0.847 -0.638 1.00 0.00 N ATOM 22 CA PHE A 27 8.919 2.044 -0.698 1.00 0.00 C ATOM 23 C PHE A 27 10.340 1.737 -0.250 1.00 0.00 C ATOM 24 O PHE A 27 10.563 0.844 0.566 1.00 0.00 O ATOM 25 CB PHE A 27 8.339 3.150 0.182 1.00 0.00 C ATOM 26 CG PHE A 27 6.988 3.566 -0.353 1.00 0.00 C ATOM 27 CD1 PHE A 27 5.812 3.107 0.256 1.00 0.00 C ATOM 28 CD2 PHE A 27 6.915 4.414 -1.463 1.00 0.00 C ATOM 29 CE1 PHE A 27 4.565 3.498 -0.249 1.00 0.00 C ATOM 30 CE2 PHE A 27 5.669 4.804 -1.967 1.00 0.00 C ATOM 31 CZ PHE A 27 4.494 4.346 -1.360 1.00 0.00 C ATOM 0 H PHE A 27 8.235 0.270 0.190 1.00 0.00 H new ATOM 0 HA PHE A 27 8.937 2.383 -1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.242 2.798 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.014 4.006 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.867 2.453 1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.821 4.768 -1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.658 3.145 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.614 5.458 -2.824 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.533 4.647 -1.749 1.00 0.00 H new ATOM 41 N CYS A 28 11.297 2.488 -0.782 1.00 0.00 N ATOM 42 CA CYS A 28 12.685 2.288 -0.420 1.00 0.00 C ATOM 43 C CYS A 28 12.916 2.726 1.021 1.00 0.00 C ATOM 44 O CYS A 28 12.105 3.448 1.605 1.00 0.00 O ATOM 45 CB CYS A 28 13.592 3.087 -1.356 1.00 0.00 C ATOM 46 SG CYS A 28 13.456 4.851 -0.971 1.00 0.00 S ATOM 0 H CYS A 28 11.135 3.233 -1.459 1.00 0.00 H new ATOM 0 HA CYS A 28 12.924 1.229 -0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.626 2.759 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 28 13.310 2.908 -2.393 1.00 0.00 H new ATOM 0 HG CYS A 28 14.229 5.529 -1.766 1.00 0.00 H new ATOM 52 N GLY A 29 14.023 2.279 1.582 1.00 0.00 N ATOM 53 CA GLY A 29 14.365 2.613 2.960 1.00 0.00 C ATOM 54 C GLY A 29 15.545 1.778 3.449 1.00 0.00 C ATOM 55 O GLY A 29 16.520 1.570 2.719 1.00 0.00 O ATOM 0 H GLY A 29 14.703 1.684 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.611 3.673 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.502 2.442 3.604 1.00 0.00 H new ATOM 59 N ARG A 30 15.453 1.306 4.691 1.00 0.00 N ATOM 60 CA ARG A 30 16.525 0.501 5.271 1.00 0.00 C ATOM 61 C ARG A 30 16.060 -0.936 5.471 1.00 0.00 C ATOM 62 O ARG A 30 14.907 -1.181 5.821 1.00 0.00 O ATOM 63 CB ARG A 30 16.948 1.094 6.618 1.00 0.00 C ATOM 64 CG ARG A 30 17.437 2.533 6.425 1.00 0.00 C ATOM 65 CD ARG A 30 18.737 2.531 5.617 1.00 0.00 C ATOM 66 NE ARG A 30 19.326 3.867 5.592 1.00 0.00 N ATOM 67 CZ ARG A 30 20.485 4.109 4.976 1.00 0.00 C ATOM 68 NH1 ARG A 30 21.135 3.148 4.370 1.00 0.00 N ATOM 69 NH2 ARG A 30 20.977 5.318 4.978 1.00 0.00 N ATOM 0 H ARG A 30 14.657 1.465 5.309 1.00 0.00 H new ATOM 0 HA ARG A 30 17.374 0.506 4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.108 1.076 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.739 0.488 7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.677 3.120 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.600 3.005 7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.443 1.824 6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.539 2.195 4.599 1.00 0.00 H new ATOM 0 HE ARG A 30 18.840 4.634 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.757 2.201 4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.020 3.346 3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.476 6.072 5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.862 5.509 4.509 1.00 0.00 H new ATOM 83 N ALA A 31 16.961 -1.885 5.242 1.00 0.00 N ATOM 84 CA ALA A 31 16.624 -3.293 5.400 1.00 0.00 C ATOM 85 C ALA A 31 17.555 -3.955 6.408 1.00 0.00 C ATOM 86 O ALA A 31 18.750 -3.669 6.444 1.00 0.00 O ATOM 87 CB ALA A 31 16.735 -4.010 4.053 1.00 0.00 C ATOM 0 H ALA A 31 17.922 -1.707 4.949 1.00 0.00 H new ATOM 0 HA ALA A 31 15.600 -3.364 5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.482 -5.063 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.048 -3.554 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.755 -3.925 3.678 1.00 0.00 H new ATOM 93 N ARG A 32 17.000 -4.841 7.227 1.00 0.00 N ATOM 94 CA ARG A 32 17.798 -5.535 8.229 1.00 0.00 C ATOM 95 C ARG A 32 17.823 -7.031 7.942 1.00 0.00 C ATOM 96 O ARG A 32 16.788 -7.641 7.680 1.00 0.00 O ATOM 97 CB ARG A 32 17.211 -5.292 9.620 1.00 0.00 C ATOM 98 CG ARG A 32 15.818 -5.917 9.702 1.00 0.00 C ATOM 99 CD ARG A 32 15.114 -5.433 10.969 1.00 0.00 C ATOM 100 NE ARG A 32 15.838 -5.883 12.154 1.00 0.00 N ATOM 101 CZ ARG A 32 15.663 -7.099 12.672 1.00 0.00 C ATOM 102 NH1 ARG A 32 14.835 -7.951 12.122 1.00 0.00 N ATOM 103 NH2 ARG A 32 16.328 -7.443 13.740 1.00 0.00 N ATOM 0 H ARG A 32 16.012 -5.093 7.218 1.00 0.00 H new ATOM 0 HA ARG A 32 18.817 -5.149 8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.861 -5.724 10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.154 -4.222 9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.234 -5.645 8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 32 15.896 -7.004 9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.050 -4.345 10.965 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.092 -5.812 10.993 1.00 0.00 H new ATOM 0 HE ARG A 32 16.499 -5.247 12.600 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.313 -7.688 11.286 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.712 -8.878 12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.976 -6.784 14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.200 -8.371 14.143 1.00 0.00 H new ATOM 117 N VAL A 33 19.014 -7.613 7.976 1.00 0.00 N ATOM 118 CA VAL A 33 19.163 -9.036 7.698 1.00 0.00 C ATOM 119 C VAL A 33 18.853 -9.866 8.939 1.00 0.00 C ATOM 120 O VAL A 33 19.433 -9.654 10.004 1.00 0.00 O ATOM 121 CB VAL A 33 20.587 -9.330 7.227 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.751 -10.833 6.998 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.854 -8.584 5.917 1.00 0.00 C ATOM 0 H VAL A 33 19.885 -7.127 8.191 1.00 0.00 H new ATOM 0 HA VAL A 33 18.457 -9.306 6.913 1.00 0.00 H new ATOM 0 HB VAL A 33 21.295 -9.000 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.767 -11.041 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.560 -11.366 7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.043 -11.165 6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.869 -8.793 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.145 -8.915 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.738 -7.512 6.079 1.00 0.00 H new ATOM 133 N HIS A 34 17.938 -10.814 8.786 1.00 0.00 N ATOM 134 CA HIS A 34 17.557 -11.683 9.894 1.00 0.00 C ATOM 135 C HIS A 34 17.968 -13.130 9.619 1.00 0.00 C ATOM 136 O HIS A 34 17.968 -13.965 10.523 1.00 0.00 O ATOM 137 CB HIS A 34 16.047 -11.607 10.118 1.00 0.00 C ATOM 138 CG HIS A 34 15.331 -11.951 8.841 1.00 0.00 C ATOM 139 ND1 HIS A 34 15.091 -13.261 8.457 1.00 0.00 N ATOM 140 CD2 HIS A 34 14.798 -11.166 7.849 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.439 -13.225 7.280 1.00 0.00 C ATOM 142 NE2 HIS A 34 14.236 -11.972 6.864 1.00 0.00 N ATOM 0 H HIS A 34 17.448 -11.001 7.911 1.00 0.00 H new ATOM 0 HA HIS A 34 18.075 -11.343 10.791 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.751 -12.295 10.910 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.767 -10.606 10.445 1.00 0.00 H new ATOM 0 HD2 HIS A 34 14.813 -10.086 7.835 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.119 -14.103 6.738 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.769 -11.671 6.008 1.00 0.00 H new ATOM 150 N THR A 35 18.320 -13.420 8.367 1.00 0.00 N ATOM 151 CA THR A 35 18.733 -14.766 7.988 1.00 0.00 C ATOM 152 C THR A 35 20.093 -14.731 7.299 1.00 0.00 C ATOM 153 O THR A 35 20.311 -13.942 6.379 1.00 0.00 O ATOM 154 CB THR A 35 17.686 -15.380 7.055 1.00 0.00 C ATOM 155 OG1 THR A 35 16.450 -15.488 7.745 1.00 0.00 O ATOM 156 CG2 THR A 35 18.143 -16.763 6.591 1.00 0.00 C ATOM 0 H THR A 35 18.327 -12.744 7.604 1.00 0.00 H new ATOM 0 HA THR A 35 18.817 -15.377 8.887 1.00 0.00 H new ATOM 0 HB THR A 35 17.562 -14.740 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.239 -14.633 8.174 1.00 0.00 H new ATOM 0 HG21 THR A 35 17.391 -17.191 5.928 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.089 -16.673 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 35 18.275 -17.412 7.457 1.00 0.00 H new ATOM 164 N ASP A 36 21.005 -15.585 7.750 1.00 0.00 N ATOM 165 CA ASP A 36 22.340 -15.634 7.168 1.00 0.00 C ATOM 166 C ASP A 36 22.266 -16.077 5.711 1.00 0.00 C ATOM 167 O ASP A 36 21.757 -17.155 5.406 1.00 0.00 O ATOM 168 CB ASP A 36 23.214 -16.613 7.954 1.00 0.00 C ATOM 169 CG ASP A 36 24.651 -16.561 7.447 1.00 0.00 C ATOM 170 OD1 ASP A 36 24.889 -15.879 6.464 1.00 0.00 O ATOM 171 OD2 ASP A 36 25.493 -17.207 8.048 1.00 0.00 O ATOM 0 H ASP A 36 20.846 -16.247 8.510 1.00 0.00 H new ATOM 0 HA ASP A 36 22.777 -14.637 7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.186 -16.365 9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 36 22.821 -17.625 7.852 1.00 0.00 H new ATOM 176 N PHE A 37 22.779 -15.238 4.815 1.00 0.00 N ATOM 177 CA PHE A 37 22.768 -15.557 3.393 1.00 0.00 C ATOM 178 C PHE A 37 24.192 -15.657 2.859 1.00 0.00 C ATOM 179 O PHE A 37 25.000 -14.747 3.048 1.00 0.00 O ATOM 180 CB PHE A 37 21.993 -14.485 2.618 1.00 0.00 C ATOM 181 CG PHE A 37 21.971 -14.833 1.146 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.736 -16.153 0.738 1.00 0.00 C ATOM 183 CD2 PHE A 37 22.179 -13.832 0.186 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.712 -16.474 -0.624 1.00 0.00 C ATOM 185 CE2 PHE A 37 22.155 -14.155 -1.178 1.00 0.00 C ATOM 186 CZ PHE A 37 21.923 -15.475 -1.581 1.00 0.00 C ATOM 0 H PHE A 37 23.204 -14.340 5.047 1.00 0.00 H new ATOM 0 HA PHE A 37 22.275 -16.520 3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.974 -14.412 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 37 22.458 -13.510 2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 37 21.573 -16.924 1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 37 22.357 -12.813 0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 37 21.531 -17.492 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 37 22.316 -13.385 -1.918 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.907 -15.723 -2.632 1.00 0.00 H new ATOM 196 N THR A 38 24.493 -16.763 2.188 1.00 0.00 N ATOM 197 CA THR A 38 25.822 -16.964 1.623 1.00 0.00 C ATOM 198 C THR A 38 25.720 -17.466 0.172 1.00 0.00 C ATOM 199 O THR A 38 25.628 -18.670 -0.069 1.00 0.00 O ATOM 200 CB THR A 38 26.609 -17.966 2.495 1.00 0.00 C ATOM 201 OG1 THR A 38 27.878 -18.204 1.904 1.00 0.00 O ATOM 202 CG2 THR A 38 25.852 -19.297 2.641 1.00 0.00 C ATOM 0 H THR A 38 23.840 -17.529 2.023 1.00 0.00 H new ATOM 0 HA THR A 38 26.354 -16.013 1.612 1.00 0.00 H new ATOM 0 HB THR A 38 26.730 -17.535 3.489 1.00 0.00 H new ATOM 0 HG1 THR A 38 28.382 -18.839 2.455 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.433 -19.980 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 38 24.885 -19.116 3.110 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.701 -19.740 1.656 1.00 0.00 H new ATOM 210 N PRO A 39 25.732 -16.576 -0.806 1.00 0.00 N ATOM 211 CA PRO A 39 25.637 -16.978 -2.243 1.00 0.00 C ATOM 212 C PRO A 39 26.910 -17.667 -2.734 1.00 0.00 C ATOM 213 O PRO A 39 28.002 -17.410 -2.227 1.00 0.00 O ATOM 214 CB PRO A 39 25.401 -15.654 -2.979 1.00 0.00 C ATOM 215 CG PRO A 39 25.993 -14.606 -2.101 1.00 0.00 C ATOM 216 CD PRO A 39 25.833 -15.107 -0.663 1.00 0.00 C ATOM 0 HA PRO A 39 24.844 -17.706 -2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 39 25.876 -15.659 -3.960 1.00 0.00 H new ATOM 0 HB3 PRO A 39 24.338 -15.478 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 39 27.044 -14.446 -2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 39 25.485 -13.651 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 39 26.685 -14.824 -0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 39 24.943 -14.690 -0.191 1.00 0.00 H new ATOM 224 N SER A 40 26.756 -18.549 -3.718 1.00 0.00 N ATOM 225 CA SER A 40 27.895 -19.277 -4.269 1.00 0.00 C ATOM 226 C SER A 40 28.792 -18.339 -5.085 1.00 0.00 C ATOM 227 O SER A 40 28.326 -17.317 -5.588 1.00 0.00 O ATOM 228 CB SER A 40 27.385 -20.412 -5.162 1.00 0.00 C ATOM 229 OG SER A 40 26.698 -19.858 -6.277 1.00 0.00 O ATOM 0 H SER A 40 25.859 -18.776 -4.148 1.00 0.00 H new ATOM 0 HA SER A 40 28.483 -19.688 -3.448 1.00 0.00 H new ATOM 0 HB2 SER A 40 28.219 -21.026 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.719 -21.064 -4.597 1.00 0.00 H new ATOM 0 HG SER A 40 26.371 -20.581 -6.852 1.00 0.00 H new ATOM 235 N PRO A 41 30.058 -18.663 -5.235 1.00 0.00 N ATOM 236 CA PRO A 41 31.016 -17.821 -6.018 1.00 0.00 C ATOM 237 C PRO A 41 30.623 -17.715 -7.491 1.00 0.00 C ATOM 238 O PRO A 41 31.032 -16.784 -8.186 1.00 0.00 O ATOM 239 CB PRO A 41 32.358 -18.545 -5.862 1.00 0.00 C ATOM 240 CG PRO A 41 32.009 -19.946 -5.489 1.00 0.00 C ATOM 241 CD PRO A 41 30.723 -19.853 -4.675 1.00 0.00 C ATOM 0 HA PRO A 41 31.039 -16.793 -5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 41 32.931 -18.516 -6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 41 32.972 -18.075 -5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 41 31.866 -20.562 -6.376 1.00 0.00 H new ATOM 0 HG3 PRO A 41 32.808 -20.406 -4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 41 30.110 -20.747 -4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 41 30.927 -19.737 -3.611 1.00 0.00 H new ATOM 249 N TYR A 42 29.834 -18.674 -7.962 1.00 0.00 N ATOM 250 CA TYR A 42 29.395 -18.685 -9.355 1.00 0.00 C ATOM 251 C TYR A 42 28.509 -17.474 -9.645 1.00 0.00 C ATOM 252 O TYR A 42 28.414 -17.022 -10.786 1.00 0.00 O ATOM 253 CB TYR A 42 28.614 -19.969 -9.639 1.00 0.00 C ATOM 254 CG TYR A 42 29.530 -21.161 -9.482 1.00 0.00 C ATOM 255 CD1 TYR A 42 29.668 -21.772 -8.231 1.00 0.00 C ATOM 256 CD2 TYR A 42 30.236 -21.659 -10.586 1.00 0.00 C ATOM 257 CE1 TYR A 42 30.511 -22.878 -8.079 1.00 0.00 C ATOM 258 CE2 TYR A 42 31.080 -22.767 -10.434 1.00 0.00 C ATOM 259 CZ TYR A 42 31.217 -23.376 -9.181 1.00 0.00 C ATOM 260 OH TYR A 42 32.048 -24.469 -9.032 1.00 0.00 O ATOM 0 H TYR A 42 29.485 -19.452 -7.403 1.00 0.00 H new ATOM 0 HA TYR A 42 30.274 -18.641 -9.998 1.00 0.00 H new ATOM 0 HB2 TYR A 42 27.770 -20.053 -8.954 1.00 0.00 H new ATOM 0 HB3 TYR A 42 28.204 -19.942 -10.649 1.00 0.00 H new ATOM 0 HD1 TYR A 42 29.123 -21.389 -7.381 1.00 0.00 H new ATOM 0 HD2 TYR A 42 30.129 -21.189 -11.553 1.00 0.00 H new ATOM 0 HE1 TYR A 42 30.617 -23.348 -7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 42 31.625 -23.151 -11.284 1.00 0.00 H new ATOM 0 HH TYR A 42 32.461 -24.686 -9.894 1.00 0.00 H new ATOM 270 N ASP A 43 27.872 -16.950 -8.602 1.00 0.00 N ATOM 271 CA ASP A 43 27.008 -15.785 -8.755 1.00 0.00 C ATOM 272 C ASP A 43 27.826 -14.570 -9.179 1.00 0.00 C ATOM 273 O ASP A 43 28.965 -14.396 -8.745 1.00 0.00 O ATOM 274 CB ASP A 43 26.291 -15.493 -7.436 1.00 0.00 C ATOM 275 CG ASP A 43 25.225 -16.554 -7.182 1.00 0.00 C ATOM 276 OD1 ASP A 43 24.890 -17.264 -8.117 1.00 0.00 O ATOM 277 OD2 ASP A 43 24.764 -16.646 -6.057 1.00 0.00 O ATOM 0 H ASP A 43 27.937 -17.310 -7.650 1.00 0.00 H new ATOM 0 HA ASP A 43 26.268 -15.997 -9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 43 27.009 -15.482 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 43 25.832 -14.505 -7.472 1.00 0.00 H new ATOM 282 N THR A 44 27.242 -13.732 -10.028 1.00 0.00 N ATOM 283 CA THR A 44 27.934 -12.538 -10.500 1.00 0.00 C ATOM 284 C THR A 44 27.771 -11.396 -9.505 1.00 0.00 C ATOM 285 O THR A 44 28.638 -10.531 -9.391 1.00 0.00 O ATOM 286 CB THR A 44 27.369 -12.114 -11.855 1.00 0.00 C ATOM 287 OG1 THR A 44 25.995 -11.781 -11.710 1.00 0.00 O ATOM 288 CG2 THR A 44 27.513 -13.270 -12.844 1.00 0.00 C ATOM 0 H THR A 44 26.300 -13.855 -10.401 1.00 0.00 H new ATOM 0 HA THR A 44 28.994 -12.770 -10.600 1.00 0.00 H new ATOM 0 HB THR A 44 27.915 -11.246 -12.226 1.00 0.00 H new ATOM 0 HG1 THR A 44 25.631 -11.507 -12.578 1.00 0.00 H new ATOM 0 HG21 THR A 44 27.111 -12.972 -13.813 1.00 0.00 H new ATOM 0 HG22 THR A 44 28.567 -13.527 -12.952 1.00 0.00 H new ATOM 0 HG23 THR A 44 26.964 -14.136 -12.474 1.00 0.00 H new ATOM 296 N ASP A 45 26.653 -11.399 -8.789 1.00 0.00 N ATOM 297 CA ASP A 45 26.389 -10.353 -7.808 1.00 0.00 C ATOM 298 C ASP A 45 26.699 -10.820 -6.386 1.00 0.00 C ATOM 299 O ASP A 45 26.515 -10.047 -5.446 1.00 0.00 O ATOM 300 CB ASP A 45 24.926 -9.911 -7.896 1.00 0.00 C ATOM 301 CG ASP A 45 24.686 -9.157 -9.201 1.00 0.00 C ATOM 302 OD1 ASP A 45 25.656 -8.739 -9.811 1.00 0.00 O ATOM 303 OD2 ASP A 45 23.533 -9.014 -9.577 1.00 0.00 O ATOM 0 H ASP A 45 25.922 -12.106 -8.867 1.00 0.00 H new ATOM 0 HA ASP A 45 27.044 -9.512 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.271 -10.781 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.678 -9.273 -7.047 1.00 0.00 H new ATOM 308 N SER A 46 27.137 -12.088 -6.246 1.00 0.00 N ATOM 309 CA SER A 46 27.452 -12.693 -4.941 1.00 0.00 C ATOM 310 C SER A 46 27.724 -11.652 -3.860 1.00 0.00 C ATOM 311 O SER A 46 28.837 -11.140 -3.732 1.00 0.00 O ATOM 312 CB SER A 46 28.674 -13.599 -5.075 1.00 0.00 C ATOM 313 OG SER A 46 28.835 -14.347 -3.877 1.00 0.00 O ATOM 0 H SER A 46 27.281 -12.718 -7.035 1.00 0.00 H new ATOM 0 HA SER A 46 26.576 -13.266 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 46 28.552 -14.271 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 46 29.565 -13.002 -5.267 1.00 0.00 H new ATOM 0 HG SER A 46 29.617 -14.931 -3.959 1.00 0.00 H new ATOM 319 N LEU A 47 26.689 -11.342 -3.090 1.00 0.00 N ATOM 320 CA LEU A 47 26.805 -10.358 -2.031 1.00 0.00 C ATOM 321 C LEU A 47 26.854 -11.032 -0.664 1.00 0.00 C ATOM 322 O LEU A 47 26.056 -11.921 -0.368 1.00 0.00 O ATOM 323 CB LEU A 47 25.616 -9.406 -2.098 1.00 0.00 C ATOM 324 CG LEU A 47 25.716 -8.364 -0.986 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.989 -7.532 -1.169 1.00 0.00 C ATOM 326 CD2 LEU A 47 24.495 -7.452 -1.056 1.00 0.00 C ATOM 0 H LEU A 47 25.763 -11.759 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 47 27.733 -9.802 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 47 25.590 -8.912 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.686 -9.966 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 47 25.754 -8.861 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.056 -6.790 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.860 -8.186 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.958 -7.027 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.555 -6.703 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.467 -6.955 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.590 -8.045 -0.926 1.00 0.00 H new ATOM 338 N LYS A 48 27.790 -10.589 0.169 1.00 0.00 N ATOM 339 CA LYS A 48 27.929 -11.144 1.508 1.00 0.00 C ATOM 340 C LYS A 48 27.214 -10.265 2.529 1.00 0.00 C ATOM 341 O LYS A 48 27.421 -9.052 2.569 1.00 0.00 O ATOM 342 CB LYS A 48 29.409 -11.253 1.871 1.00 0.00 C ATOM 343 CG LYS A 48 30.080 -12.277 0.955 1.00 0.00 C ATOM 344 CD LYS A 48 31.557 -12.402 1.329 1.00 0.00 C ATOM 345 CE LYS A 48 32.218 -13.460 0.444 1.00 0.00 C ATOM 346 NZ LYS A 48 32.165 -13.022 -0.979 1.00 0.00 N ATOM 0 H LYS A 48 28.458 -9.853 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 48 27.476 -12.135 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.893 -10.282 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.518 -11.553 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.586 -13.244 1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.982 -11.969 -0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 48 32.058 -11.442 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 48 31.655 -12.677 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 48 33.253 -13.611 0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.708 -14.417 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.871 -13.550 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 31.216 -13.206 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.371 -12.004 -1.037 1.00 0.00 H new ATOM 360 N ILE A 49 26.374 -10.884 3.350 1.00 0.00 N ATOM 361 CA ILE A 49 25.636 -10.146 4.369 1.00 0.00 C ATOM 362 C ILE A 49 25.648 -10.907 5.691 1.00 0.00 C ATOM 363 O ILE A 49 25.893 -12.113 5.721 1.00 0.00 O ATOM 364 CB ILE A 49 24.193 -9.917 3.907 1.00 0.00 C ATOM 365 CG1 ILE A 49 23.474 -11.262 3.753 1.00 0.00 C ATOM 366 CG2 ILE A 49 24.199 -9.195 2.561 1.00 0.00 C ATOM 367 CD1 ILE A 49 22.003 -11.016 3.397 1.00 0.00 C ATOM 0 H ILE A 49 26.187 -11.887 3.331 1.00 0.00 H new ATOM 0 HA ILE A 49 26.119 -9.181 4.520 1.00 0.00 H new ATOM 0 HB ILE A 49 23.673 -9.312 4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 49 23.953 -11.856 2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 49 23.545 -11.833 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 49 23.173 -9.032 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 49 24.704 -8.235 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 49 24.724 -9.803 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 49 21.490 -11.972 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 49 21.528 -10.439 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.943 -10.462 2.460 1.00 0.00 H new ATOM 379 N LYS A 50 25.379 -10.198 6.783 1.00 0.00 N ATOM 380 CA LYS A 50 25.360 -10.825 8.100 1.00 0.00 C ATOM 381 C LYS A 50 24.171 -10.328 8.915 1.00 0.00 C ATOM 382 O LYS A 50 23.891 -9.131 8.955 1.00 0.00 O ATOM 383 CB LYS A 50 26.660 -10.520 8.849 1.00 0.00 C ATOM 384 CG LYS A 50 26.624 -11.193 10.223 1.00 0.00 C ATOM 385 CD LYS A 50 27.938 -10.927 10.957 1.00 0.00 C ATOM 386 CE LYS A 50 27.897 -11.588 12.336 1.00 0.00 C ATOM 387 NZ LYS A 50 29.187 -11.344 13.042 1.00 0.00 N ATOM 0 H LYS A 50 25.173 -9.199 6.783 1.00 0.00 H new ATOM 0 HA LYS A 50 25.267 -11.902 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.515 -10.880 8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.783 -9.443 8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.786 -10.810 10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 50 26.469 -12.266 10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.775 -11.319 10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.097 -9.854 11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.069 -11.186 12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.723 -12.659 12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 29.160 -11.793 13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.968 -11.748 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 29.334 -10.320 13.153 1.00 0.00 H new ATOM 401 N LYS A 51 23.471 -11.257 9.560 1.00 0.00 N ATOM 402 CA LYS A 51 22.314 -10.896 10.366 1.00 0.00 C ATOM 403 C LYS A 51 22.653 -9.752 11.318 1.00 0.00 C ATOM 404 O LYS A 51 23.717 -9.738 11.938 1.00 0.00 O ATOM 405 CB LYS A 51 21.838 -12.104 11.174 1.00 0.00 C ATOM 406 CG LYS A 51 23.045 -12.810 11.796 1.00 0.00 C ATOM 407 CD LYS A 51 22.570 -13.789 12.872 1.00 0.00 C ATOM 408 CE LYS A 51 22.389 -13.045 14.197 1.00 0.00 C ATOM 409 NZ LYS A 51 23.725 -12.670 14.746 1.00 0.00 N ATOM 0 H LYS A 51 23.683 -12.254 9.540 1.00 0.00 H new ATOM 0 HA LYS A 51 21.520 -10.572 9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 51 21.148 -11.784 11.955 1.00 0.00 H new ATOM 0 HB3 LYS A 51 21.292 -12.793 10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.603 -13.343 11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 51 23.723 -12.076 12.232 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.629 -14.249 12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.295 -14.594 12.991 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.783 -12.152 14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.855 -13.674 14.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.671 -12.613 15.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 24.426 -13.389 14.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.011 -11.746 14.363 1.00 0.00 H new ATOM 423 N GLY A 52 21.738 -8.794 11.424 1.00 0.00 N ATOM 424 CA GLY A 52 21.936 -7.641 12.296 1.00 0.00 C ATOM 425 C GLY A 52 22.467 -6.442 11.512 1.00 0.00 C ATOM 426 O GLY A 52 22.386 -5.304 11.974 1.00 0.00 O ATOM 0 H GLY A 52 20.853 -8.793 10.917 1.00 0.00 H new ATOM 0 HA2 GLY A 52 20.993 -7.377 12.775 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.636 -7.898 13.091 1.00 0.00 H new ATOM 430 N ASP A 53 23.001 -6.703 10.321 1.00 0.00 N ATOM 431 CA ASP A 53 23.531 -5.638 9.479 1.00 0.00 C ATOM 432 C ASP A 53 22.397 -4.913 8.759 1.00 0.00 C ATOM 433 O ASP A 53 21.308 -5.460 8.586 1.00 0.00 O ATOM 434 CB ASP A 53 24.505 -6.220 8.455 1.00 0.00 C ATOM 435 CG ASP A 53 25.000 -5.122 7.522 1.00 0.00 C ATOM 436 OD1 ASP A 53 25.758 -4.281 7.975 1.00 0.00 O ATOM 437 OD2 ASP A 53 24.606 -5.135 6.368 1.00 0.00 O ATOM 0 H ASP A 53 23.077 -7.638 9.921 1.00 0.00 H new ATOM 0 HA ASP A 53 24.058 -4.924 10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 53 25.350 -6.682 8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.014 -7.004 7.879 1.00 0.00 H new ATOM 442 N ILE A 54 22.658 -3.678 8.343 1.00 0.00 N ATOM 443 CA ILE A 54 21.649 -2.892 7.643 1.00 0.00 C ATOM 444 C ILE A 54 22.090 -2.623 6.206 1.00 0.00 C ATOM 445 O ILE A 54 23.212 -2.178 5.962 1.00 0.00 O ATOM 446 CB ILE A 54 21.420 -1.565 8.370 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.058 -1.827 9.843 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.289 -0.792 7.684 1.00 0.00 C ATOM 449 CD1 ILE A 54 19.814 -2.721 9.948 1.00 0.00 C ATOM 0 H ILE A 54 23.551 -3.204 8.477 1.00 0.00 H new ATOM 0 HA ILE A 54 20.717 -3.457 7.627 1.00 0.00 H new ATOM 0 HB ILE A 54 22.335 -0.973 8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.898 -2.303 10.349 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.875 -0.880 10.351 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.127 0.153 8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.560 -0.595 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.374 -1.384 7.713 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.577 -2.893 10.998 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.971 -2.230 9.461 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.010 -3.676 9.459 1.00 0.00 H new ATOM 461 N ILE A 55 21.200 -2.906 5.261 1.00 0.00 N ATOM 462 CA ILE A 55 21.501 -2.705 3.848 1.00 0.00 C ATOM 463 C ILE A 55 20.672 -1.564 3.278 1.00 0.00 C ATOM 464 O ILE A 55 19.462 -1.492 3.490 1.00 0.00 O ATOM 465 CB ILE A 55 21.218 -3.985 3.064 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.095 -5.107 3.618 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.542 -3.765 1.586 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.714 -6.435 2.963 1.00 0.00 C ATOM 0 H ILE A 55 20.267 -3.274 5.447 1.00 0.00 H new ATOM 0 HA ILE A 55 22.557 -2.451 3.757 1.00 0.00 H new ATOM 0 HB ILE A 55 20.166 -4.253 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.146 -4.886 3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.973 -5.176 4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.339 -4.680 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.924 -2.957 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.594 -3.501 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.343 -7.231 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.668 -6.658 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.859 -6.364 1.885 1.00 0.00 H new ATOM 480 N ASP A 56 21.333 -0.667 2.553 1.00 0.00 N ATOM 481 CA ASP A 56 20.641 0.469 1.959 1.00 0.00 C ATOM 482 C ASP A 56 19.902 0.025 0.702 1.00 0.00 C ATOM 483 O ASP A 56 20.524 -0.359 -0.286 1.00 0.00 O ATOM 484 CB ASP A 56 21.646 1.569 1.606 1.00 0.00 C ATOM 485 CG ASP A 56 20.914 2.781 1.035 1.00 0.00 C ATOM 486 OD1 ASP A 56 19.698 2.735 0.956 1.00 0.00 O ATOM 487 OD2 ASP A 56 21.583 3.740 0.684 1.00 0.00 O ATOM 0 H ASP A 56 22.335 -0.704 2.365 1.00 0.00 H new ATOM 0 HA ASP A 56 19.922 0.861 2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 56 22.208 1.858 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 56 22.368 1.194 0.880 1.00 0.00 H new ATOM 492 N ILE A 57 18.571 0.076 0.750 1.00 0.00 N ATOM 493 CA ILE A 57 17.763 -0.331 -0.396 1.00 0.00 C ATOM 494 C ILE A 57 17.940 0.651 -1.549 1.00 0.00 C ATOM 495 O ILE A 57 17.752 1.858 -1.386 1.00 0.00 O ATOM 496 CB ILE A 57 16.286 -0.384 0.003 1.00 0.00 C ATOM 497 CG1 ILE A 57 16.070 -1.473 1.056 1.00 0.00 C ATOM 498 CG2 ILE A 57 15.432 -0.691 -1.227 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.662 -1.339 1.645 1.00 0.00 C ATOM 0 H ILE A 57 18.036 0.391 1.559 1.00 0.00 H new ATOM 0 HA ILE A 57 18.092 -1.319 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 57 15.995 0.581 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 57 16.196 -2.458 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.816 -1.384 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 57 14.381 -0.728 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.577 0.089 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.728 -1.653 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.506 -2.114 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.553 -0.358 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.923 -1.449 0.851 1.00 0.00 H new ATOM 511 N ILE A 58 18.303 0.126 -2.716 1.00 0.00 N ATOM 512 CA ILE A 58 18.504 0.962 -3.893 1.00 0.00 C ATOM 513 C ILE A 58 17.341 0.799 -4.863 1.00 0.00 C ATOM 514 O ILE A 58 16.750 1.781 -5.313 1.00 0.00 O ATOM 515 CB ILE A 58 19.804 0.570 -4.595 1.00 0.00 C ATOM 516 CG1 ILE A 58 20.980 0.747 -3.631 1.00 0.00 C ATOM 517 CG2 ILE A 58 20.018 1.465 -5.817 1.00 0.00 C ATOM 518 CD1 ILE A 58 22.239 0.087 -4.210 1.00 0.00 C ATOM 0 H ILE A 58 18.463 -0.869 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 58 18.561 2.002 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 58 19.741 -0.471 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 58 21.162 1.808 -3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 58 20.739 0.304 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.945 1.184 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 58 19.183 1.344 -6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.078 2.506 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 58 23.070 0.218 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 58 22.056 -0.977 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 58 22.486 0.550 -5.165 1.00 0.00 H new ATOM 530 N CYS A 59 17.017 -0.451 -5.180 1.00 0.00 N ATOM 531 CA CYS A 59 15.920 -0.728 -6.100 1.00 0.00 C ATOM 532 C CYS A 59 15.100 -1.919 -5.618 1.00 0.00 C ATOM 533 O CYS A 59 15.624 -2.829 -4.968 1.00 0.00 O ATOM 534 CB CYS A 59 16.466 -1.013 -7.502 1.00 0.00 C ATOM 535 SG CYS A 59 17.293 0.465 -8.141 1.00 0.00 S ATOM 0 H CYS A 59 17.492 -1.278 -4.819 1.00 0.00 H new ATOM 0 HA CYS A 59 15.275 0.150 -6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.166 -1.848 -7.468 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.654 -1.304 -8.168 1.00 0.00 H new ATOM 0 HG CYS A 59 17.143 1.444 -7.299 1.00 0.00 H new ATOM 541 N LYS A 60 13.814 -1.906 -5.944 1.00 0.00 N ATOM 542 CA LYS A 60 12.918 -2.985 -5.551 1.00 0.00 C ATOM 543 C LYS A 60 12.086 -3.449 -6.737 1.00 0.00 C ATOM 544 O LYS A 60 11.925 -2.720 -7.717 1.00 0.00 O ATOM 545 CB LYS A 60 11.990 -2.527 -4.428 1.00 0.00 C ATOM 546 CG LYS A 60 12.781 -2.423 -3.123 1.00 0.00 C ATOM 547 CD LYS A 60 11.908 -1.784 -2.041 1.00 0.00 C ATOM 548 CE LYS A 60 10.715 -2.690 -1.731 1.00 0.00 C ATOM 549 NZ LYS A 60 9.921 -2.100 -0.616 1.00 0.00 N ATOM 0 H LYS A 60 13.369 -1.161 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 60 13.527 -3.816 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.550 -1.561 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.167 -3.232 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.106 -3.413 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.680 -1.827 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.495 -1.620 -1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.557 -0.807 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.090 -2.803 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.062 -3.686 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.025 -2.618 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.462 -2.170 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.722 -1.100 -0.823 1.00 0.00 H new ATOM 563 N THR A 61 11.553 -4.662 -6.641 1.00 0.00 N ATOM 564 CA THR A 61 10.732 -5.205 -7.716 1.00 0.00 C ATOM 565 C THR A 61 9.435 -5.794 -7.156 1.00 0.00 C ATOM 566 O THR A 61 9.360 -6.128 -5.973 1.00 0.00 O ATOM 567 CB THR A 61 11.510 -6.288 -8.467 1.00 0.00 C ATOM 568 OG1 THR A 61 11.842 -7.339 -7.569 1.00 0.00 O ATOM 569 CG2 THR A 61 12.790 -5.687 -9.050 1.00 0.00 C ATOM 0 H THR A 61 11.673 -5.282 -5.840 1.00 0.00 H new ATOM 0 HA THR A 61 10.480 -4.397 -8.403 1.00 0.00 H new ATOM 0 HB THR A 61 10.896 -6.683 -9.277 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.339 -8.034 -8.049 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.344 -6.459 -9.585 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.533 -4.882 -9.738 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.407 -5.291 -8.243 1.00 0.00 H new ATOM 577 N PRO A 62 8.419 -5.927 -7.977 1.00 0.00 N ATOM 578 CA PRO A 62 7.102 -6.491 -7.542 1.00 0.00 C ATOM 579 C PRO A 62 7.254 -7.848 -6.860 1.00 0.00 C ATOM 580 O PRO A 62 6.570 -8.140 -5.879 1.00 0.00 O ATOM 581 CB PRO A 62 6.326 -6.637 -8.853 1.00 0.00 C ATOM 582 CG PRO A 62 6.919 -5.617 -9.762 1.00 0.00 C ATOM 583 CD PRO A 62 8.401 -5.554 -9.404 1.00 0.00 C ATOM 0 HA PRO A 62 6.607 -5.854 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.430 -7.641 -9.264 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.261 -6.462 -8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.780 -5.896 -10.807 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.442 -4.647 -9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.991 -6.244 -10.008 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.812 -4.557 -9.565 1.00 0.00 H new ATOM 591 N MET A 63 8.155 -8.672 -7.388 1.00 0.00 N ATOM 592 CA MET A 63 8.391 -9.995 -6.823 1.00 0.00 C ATOM 593 C MET A 63 9.726 -10.550 -7.304 1.00 0.00 C ATOM 594 O MET A 63 9.796 -11.216 -8.338 1.00 0.00 O ATOM 595 CB MET A 63 7.264 -10.947 -7.234 1.00 0.00 C ATOM 596 CG MET A 63 7.240 -12.156 -6.295 1.00 0.00 C ATOM 597 SD MET A 63 6.688 -11.637 -4.650 1.00 0.00 S ATOM 598 CE MET A 63 6.872 -13.241 -3.833 1.00 0.00 C ATOM 0 H MET A 63 8.730 -8.448 -8.201 1.00 0.00 H new ATOM 0 HA MET A 63 8.415 -9.907 -5.737 1.00 0.00 H new ATOM 0 HB2 MET A 63 6.306 -10.428 -7.199 1.00 0.00 H new ATOM 0 HB3 MET A 63 7.410 -11.276 -8.263 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.572 -12.922 -6.689 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.233 -12.601 -6.233 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.580 -13.152 -2.787 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.235 -13.976 -4.326 1.00 0.00 H new ATOM 0 HE3 MET A 63 7.912 -13.563 -3.894 1.00 0.00 H new ATOM 608 N GLY A 64 10.782 -10.273 -6.551 1.00 0.00 N ATOM 609 CA GLY A 64 12.110 -10.751 -6.915 1.00 0.00 C ATOM 610 C GLY A 64 13.151 -10.296 -5.900 1.00 0.00 C ATOM 611 O GLY A 64 12.824 -9.650 -4.905 1.00 0.00 O ATOM 0 H GLY A 64 10.747 -9.725 -5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.105 -11.839 -6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.375 -10.380 -7.905 1.00 0.00 H new ATOM 615 N MET A 65 14.406 -10.646 -6.156 1.00 0.00 N ATOM 616 CA MET A 65 15.489 -10.279 -5.250 1.00 0.00 C ATOM 617 C MET A 65 15.624 -8.763 -5.163 1.00 0.00 C ATOM 618 O MET A 65 15.361 -8.046 -6.129 1.00 0.00 O ATOM 619 CB MET A 65 16.808 -10.887 -5.730 1.00 0.00 C ATOM 620 CG MET A 65 16.765 -12.409 -5.571 1.00 0.00 C ATOM 621 SD MET A 65 18.277 -13.130 -6.263 1.00 0.00 S ATOM 622 CE MET A 65 19.416 -12.553 -4.978 1.00 0.00 C ATOM 0 H MET A 65 14.698 -11.179 -6.975 1.00 0.00 H new ATOM 0 HA MET A 65 15.254 -10.669 -4.260 1.00 0.00 H new ATOM 0 HB2 MET A 65 16.981 -10.626 -6.774 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.639 -10.475 -5.157 1.00 0.00 H new ATOM 0 HG2 MET A 65 16.672 -12.673 -4.518 1.00 0.00 H new ATOM 0 HG3 MET A 65 15.890 -12.814 -6.079 1.00 0.00 H new ATOM 0 HE1 MET A 65 20.426 -12.891 -5.209 1.00 0.00 H new ATOM 0 HE2 MET A 65 19.398 -11.464 -4.938 1.00 0.00 H new ATOM 0 HE3 MET A 65 19.110 -12.956 -4.013 1.00 0.00 H new ATOM 632 N TRP A 66 16.029 -8.286 -3.992 1.00 0.00 N ATOM 633 CA TRP A 66 16.190 -6.854 -3.766 1.00 0.00 C ATOM 634 C TRP A 66 17.637 -6.415 -3.974 1.00 0.00 C ATOM 635 O TRP A 66 18.575 -7.164 -3.696 1.00 0.00 O ATOM 636 CB TRP A 66 15.760 -6.491 -2.342 1.00 0.00 C ATOM 637 CG TRP A 66 14.268 -6.547 -2.210 1.00 0.00 C ATOM 638 CD1 TRP A 66 13.399 -6.905 -3.186 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.459 -6.230 -1.042 1.00 0.00 C ATOM 640 NE1 TRP A 66 12.108 -6.818 -2.690 1.00 0.00 N ATOM 641 CE2 TRP A 66 12.094 -6.407 -1.370 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.778 -5.805 0.258 1.00 0.00 C ATOM 643 CZ2 TRP A 66 11.081 -6.171 -0.435 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.766 -5.569 1.196 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.420 -5.750 0.852 1.00 0.00 C ATOM 0 H TRP A 66 16.252 -8.869 -3.185 1.00 0.00 H new ATOM 0 HA TRP A 66 15.560 -6.337 -4.489 1.00 0.00 H new ATOM 0 HB2 TRP A 66 16.219 -7.178 -1.632 1.00 0.00 H new ATOM 0 HB3 TRP A 66 16.115 -5.491 -2.093 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.668 -7.209 -4.187 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.271 -7.031 -3.232 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.811 -5.659 0.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 10.045 -6.313 -0.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.025 -5.245 2.193 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.646 -5.564 1.582 1.00 0.00 H new ATOM 656 N THR A 67 17.800 -5.188 -4.461 1.00 0.00 N ATOM 657 CA THR A 67 19.128 -4.634 -4.700 1.00 0.00 C ATOM 658 C THR A 67 19.440 -3.567 -3.657 1.00 0.00 C ATOM 659 O THR A 67 18.618 -2.684 -3.394 1.00 0.00 O ATOM 660 CB THR A 67 19.198 -4.023 -6.097 1.00 0.00 C ATOM 661 OG1 THR A 67 18.942 -5.032 -7.062 1.00 0.00 O ATOM 662 CG2 THR A 67 20.590 -3.436 -6.325 1.00 0.00 C ATOM 0 H THR A 67 17.031 -4.561 -4.697 1.00 0.00 H new ATOM 0 HA THR A 67 19.862 -5.436 -4.625 1.00 0.00 H new ATOM 0 HB THR A 67 18.453 -3.233 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 67 19.582 -5.765 -6.946 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.642 -2.999 -7.322 1.00 0.00 H new ATOM 0 HG22 THR A 67 20.786 -2.665 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 67 21.337 -4.225 -6.235 1.00 0.00 H new ATOM 670 N GLY A 68 20.632 -3.644 -3.075 1.00 0.00 N ATOM 671 CA GLY A 68 21.033 -2.678 -2.061 1.00 0.00 C ATOM 672 C GLY A 68 22.546 -2.487 -2.042 1.00 0.00 C ATOM 673 O GLY A 68 23.272 -3.075 -2.846 1.00 0.00 O ATOM 0 H GLY A 68 21.330 -4.357 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.546 -1.722 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.695 -3.015 -1.081 1.00 0.00 H new ATOM 677 N MET A 69 23.011 -1.655 -1.115 1.00 0.00 N ATOM 678 CA MET A 69 24.438 -1.378 -0.982 1.00 0.00 C ATOM 679 C MET A 69 24.931 -1.755 0.411 1.00 0.00 C ATOM 680 O MET A 69 24.236 -1.541 1.412 1.00 0.00 O ATOM 681 CB MET A 69 24.722 0.105 -1.234 1.00 0.00 C ATOM 682 CG MET A 69 26.218 0.378 -1.052 1.00 0.00 C ATOM 683 SD MET A 69 26.562 2.112 -1.435 1.00 0.00 S ATOM 684 CE MET A 69 25.740 2.823 0.010 1.00 0.00 C ATOM 0 H MET A 69 22.421 -1.161 -0.445 1.00 0.00 H new ATOM 0 HA MET A 69 24.966 -1.977 -1.723 1.00 0.00 H new ATOM 0 HB2 MET A 69 24.412 0.379 -2.242 1.00 0.00 H new ATOM 0 HB3 MET A 69 24.143 0.719 -0.544 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.518 0.154 -0.028 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.800 -0.273 -1.705 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.391 3.567 0.469 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.808 3.297 -0.298 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.525 2.034 0.731 1.00 0.00 H new ATOM 694 N LEU A 70 26.137 -2.313 0.461 1.00 0.00 N ATOM 695 CA LEU A 70 26.743 -2.722 1.719 1.00 0.00 C ATOM 696 C LEU A 70 28.238 -2.410 1.716 1.00 0.00 C ATOM 697 O LEU A 70 29.009 -3.042 0.996 1.00 0.00 O ATOM 698 CB LEU A 70 26.546 -4.224 1.931 1.00 0.00 C ATOM 699 CG LEU A 70 25.887 -4.463 3.291 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.491 -5.938 3.416 1.00 0.00 C ATOM 701 CD2 LEU A 70 26.870 -4.106 4.411 1.00 0.00 C ATOM 0 H LEU A 70 26.714 -2.492 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 70 26.262 -2.171 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.925 -4.636 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.506 -4.738 1.884 1.00 0.00 H new ATOM 0 HG LEU A 70 24.999 -3.837 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.022 -6.108 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.789 -6.195 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.380 -6.562 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.397 -4.277 5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.760 -4.730 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.153 -3.057 4.326 1.00 0.00 H new ATOM 713 N ASN A 71 28.648 -1.444 2.531 1.00 0.00 N ATOM 714 CA ASN A 71 30.060 -1.079 2.610 1.00 0.00 C ATOM 715 C ASN A 71 30.593 -0.733 1.223 1.00 0.00 C ATOM 716 O ASN A 71 31.562 -1.333 0.759 1.00 0.00 O ATOM 717 CB ASN A 71 30.868 -2.250 3.163 1.00 0.00 C ATOM 718 CG ASN A 71 30.215 -2.779 4.430 1.00 0.00 C ATOM 719 OD1 ASN A 71 29.925 -4.047 4.506 1.00 0.00 O flip ATOM 720 ND2 ASN A 71 29.956 -2.022 5.367 1.00 0.00 N flip ATOM 0 H ASN A 71 28.032 -0.905 3.140 1.00 0.00 H new ATOM 0 HA ASN A 71 30.156 -0.215 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 71 30.931 -3.043 2.418 1.00 0.00 H new ATOM 0 HB3 ASN A 71 31.888 -1.931 3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 71 30.186 -1.031 5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.512 -2.387 6.210 1.00 0.00 H new ATOM 727 N ASN A 72 29.958 0.226 0.563 1.00 0.00 N ATOM 728 CA ASN A 72 30.382 0.628 -0.772 1.00 0.00 C ATOM 729 C ASN A 72 30.397 -0.568 -1.718 1.00 0.00 C ATOM 730 O ASN A 72 31.255 -0.666 -2.593 1.00 0.00 O ATOM 731 CB ASN A 72 31.776 1.257 -0.719 1.00 0.00 C ATOM 732 CG ASN A 72 31.745 2.523 0.130 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.750 3.247 0.129 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.785 2.841 0.851 1.00 0.00 N ATOM 0 H ASN A 72 29.153 0.737 0.926 1.00 0.00 H new ATOM 0 HA ASN A 72 29.669 1.363 -1.146 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.489 0.546 -0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.116 1.494 -1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.774 3.691 1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.609 2.240 0.851 1.00 0.00 H new ATOM 741 N LYS A 73 29.433 -1.466 -1.544 1.00 0.00 N ATOM 742 CA LYS A 73 29.343 -2.641 -2.401 1.00 0.00 C ATOM 743 C LYS A 73 27.888 -2.910 -2.771 1.00 0.00 C ATOM 744 O LYS A 73 27.078 -3.256 -1.916 1.00 0.00 O ATOM 745 CB LYS A 73 29.923 -3.863 -1.681 1.00 0.00 C ATOM 746 CG LYS A 73 30.196 -4.974 -2.698 1.00 0.00 C ATOM 747 CD LYS A 73 31.510 -4.689 -3.434 1.00 0.00 C ATOM 748 CE LYS A 73 31.679 -5.684 -4.585 1.00 0.00 C ATOM 749 NZ LYS A 73 31.880 -7.054 -4.035 1.00 0.00 N ATOM 0 H LYS A 73 28.711 -1.404 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 73 29.915 -2.454 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.845 -3.592 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 73 29.226 -4.215 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 73 30.253 -5.938 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 73 29.374 -5.037 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 73 31.510 -3.669 -3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 73 32.350 -4.769 -2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 73 30.799 -5.665 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 73 32.531 -5.400 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 32.146 -7.701 -4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 32.637 -7.034 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 30.998 -7.384 -3.594 1.00 0.00 H new ATOM 763 N VAL A 74 27.560 -2.753 -4.048 1.00 0.00 N ATOM 764 CA VAL A 74 26.193 -2.983 -4.502 1.00 0.00 C ATOM 765 C VAL A 74 26.029 -4.413 -4.997 1.00 0.00 C ATOM 766 O VAL A 74 26.793 -4.874 -5.844 1.00 0.00 O ATOM 767 CB VAL A 74 25.842 -2.007 -5.625 1.00 0.00 C ATOM 768 CG1 VAL A 74 24.439 -2.312 -6.151 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.878 -0.576 -5.083 1.00 0.00 C ATOM 0 H VAL A 74 28.212 -2.471 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 74 25.519 -2.822 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 74 26.564 -2.112 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 74 24.191 -1.615 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 74 24.408 -3.332 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 74 23.716 -2.207 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.628 0.122 -5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 74 25.155 -0.475 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 74 26.877 -0.354 -4.707 1.00 0.00 H new ATOM 779 N GLY A 75 25.033 -5.115 -4.462 1.00 0.00 N ATOM 780 CA GLY A 75 24.795 -6.494 -4.861 1.00 0.00 C ATOM 781 C GLY A 75 23.336 -6.883 -4.637 1.00 0.00 C ATOM 782 O GLY A 75 22.535 -6.087 -4.145 1.00 0.00 O ATOM 0 H GLY A 75 24.387 -4.755 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 75 25.052 -6.622 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 75 25.444 -7.159 -4.291 1.00 0.00 H new ATOM 786 N ASN A 76 22.999 -8.112 -5.016 1.00 0.00 N ATOM 787 CA ASN A 76 21.636 -8.601 -4.865 1.00 0.00 C ATOM 788 C ASN A 76 21.543 -9.616 -3.729 1.00 0.00 C ATOM 789 O ASN A 76 22.527 -10.266 -3.376 1.00 0.00 O ATOM 790 CB ASN A 76 21.164 -9.243 -6.171 1.00 0.00 C ATOM 791 CG ASN A 76 20.991 -8.174 -7.245 1.00 0.00 C ATOM 792 OD1 ASN A 76 20.825 -6.996 -6.929 1.00 0.00 O ATOM 793 ND2 ASN A 76 21.023 -8.515 -8.504 1.00 0.00 N ATOM 0 H ASN A 76 23.648 -8.783 -5.427 1.00 0.00 H new ATOM 0 HA ASN A 76 20.995 -7.753 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 76 21.887 -9.989 -6.501 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.220 -9.764 -6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 76 20.910 -7.805 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 76 21.161 -9.492 -8.765 1.00 0.00 H new ATOM 800 N PHE A 77 20.349 -9.741 -3.161 1.00 0.00 N ATOM 801 CA PHE A 77 20.124 -10.675 -2.063 1.00 0.00 C ATOM 802 C PHE A 77 18.655 -11.069 -1.973 1.00 0.00 C ATOM 803 O PHE A 77 17.788 -10.406 -2.545 1.00 0.00 O ATOM 804 CB PHE A 77 20.585 -10.051 -0.746 1.00 0.00 C ATOM 805 CG PHE A 77 19.974 -8.681 -0.605 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.718 -8.525 -0.009 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.669 -7.563 -1.076 1.00 0.00 C ATOM 808 CE1 PHE A 77 18.157 -7.247 0.113 1.00 0.00 C ATOM 809 CE2 PHE A 77 20.110 -6.287 -0.953 1.00 0.00 C ATOM 810 CZ PHE A 77 18.854 -6.128 -0.358 1.00 0.00 C ATOM 0 H PHE A 77 19.524 -9.210 -3.441 1.00 0.00 H new ATOM 0 HA PHE A 77 20.705 -11.577 -2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.289 -10.682 0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.673 -9.981 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.182 -9.388 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 77 21.639 -7.685 -1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.186 -7.125 0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.648 -5.424 -1.317 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.422 -5.143 -0.262 1.00 0.00 H new ATOM 820 N LYS A 78 18.384 -12.161 -1.264 1.00 0.00 N ATOM 821 CA LYS A 78 17.019 -12.642 -1.123 1.00 0.00 C ATOM 822 C LYS A 78 16.250 -11.794 -0.119 1.00 0.00 C ATOM 823 O LYS A 78 16.575 -11.764 1.068 1.00 0.00 O ATOM 824 CB LYS A 78 17.031 -14.098 -0.658 1.00 0.00 C ATOM 825 CG LYS A 78 15.716 -14.771 -1.053 1.00 0.00 C ATOM 826 CD LYS A 78 15.847 -16.283 -0.864 1.00 0.00 C ATOM 827 CE LYS A 78 16.319 -16.924 -2.171 1.00 0.00 C ATOM 828 NZ LYS A 78 15.216 -16.878 -3.173 1.00 0.00 N ATOM 0 H LYS A 78 19.086 -12.723 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 78 16.525 -12.569 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.872 -14.627 -1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.165 -14.145 0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.899 -14.386 -0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.474 -14.542 -2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.555 -16.500 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.888 -16.707 -0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.193 -16.397 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.621 -17.956 -1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.308 -17.681 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.300 -16.934 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.269 -15.987 -3.707 1.00 0.00 H new ATOM 842 N PHE A 79 15.221 -11.114 -0.608 1.00 0.00 N ATOM 843 CA PHE A 79 14.400 -10.267 0.245 1.00 0.00 C ATOM 844 C PHE A 79 13.786 -11.076 1.382 1.00 0.00 C ATOM 845 O PHE A 79 13.417 -10.523 2.414 1.00 0.00 O ATOM 846 CB PHE A 79 13.298 -9.596 -0.583 1.00 0.00 C ATOM 847 CG PHE A 79 12.437 -10.652 -1.239 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.296 -11.140 -0.590 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.786 -11.140 -2.503 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.507 -12.118 -1.210 1.00 0.00 C ATOM 851 CE2 PHE A 79 12.002 -12.116 -3.121 1.00 0.00 C ATOM 852 CZ PHE A 79 10.860 -12.607 -2.475 1.00 0.00 C ATOM 0 H PHE A 79 14.936 -11.133 -1.587 1.00 0.00 H new ATOM 0 HA PHE A 79 15.037 -9.496 0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.686 -8.960 0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.742 -8.952 -1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.025 -10.764 0.385 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.665 -10.760 -3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.626 -12.495 -0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.276 -12.492 -4.096 1.00 0.00 H new ATOM 0 HZ PHE A 79 10.252 -13.362 -2.952 1.00 0.00 H new ATOM 862 N ILE A 80 13.675 -12.384 1.192 1.00 0.00 N ATOM 863 CA ILE A 80 13.104 -13.245 2.223 1.00 0.00 C ATOM 864 C ILE A 80 14.007 -13.280 3.455 1.00 0.00 C ATOM 865 O ILE A 80 13.533 -13.292 4.588 1.00 0.00 O ATOM 866 CB ILE A 80 12.931 -14.660 1.677 1.00 0.00 C ATOM 867 CG1 ILE A 80 11.881 -14.634 0.569 1.00 0.00 C ATOM 868 CG2 ILE A 80 12.470 -15.591 2.801 1.00 0.00 C ATOM 869 CD1 ILE A 80 11.862 -15.976 -0.159 1.00 0.00 C ATOM 0 H ILE A 80 13.969 -12.869 0.344 1.00 0.00 H new ATOM 0 HA ILE A 80 12.133 -12.843 2.511 1.00 0.00 H new ATOM 0 HB ILE A 80 13.879 -15.023 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.898 -14.426 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.102 -13.831 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.347 -16.601 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 80 13.216 -15.598 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.519 -15.238 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.111 -15.951 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.842 -16.166 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.620 -16.770 0.548 1.00 0.00 H new ATOM 881 N TYR A 81 15.310 -13.312 3.209 1.00 0.00 N ATOM 882 CA TYR A 81 16.295 -13.369 4.284 1.00 0.00 C ATOM 883 C TYR A 81 16.520 -11.984 4.901 1.00 0.00 C ATOM 884 O TYR A 81 17.311 -11.834 5.834 1.00 0.00 O ATOM 885 CB TYR A 81 17.616 -13.912 3.725 1.00 0.00 C ATOM 886 CG TYR A 81 17.456 -15.359 3.267 1.00 0.00 C ATOM 887 CD1 TYR A 81 16.250 -16.059 3.463 1.00 0.00 C ATOM 888 CD2 TYR A 81 18.523 -15.996 2.619 1.00 0.00 C ATOM 889 CE1 TYR A 81 16.121 -17.378 3.016 1.00 0.00 C ATOM 890 CE2 TYR A 81 18.391 -17.318 2.175 1.00 0.00 C ATOM 891 CZ TYR A 81 17.190 -18.009 2.371 1.00 0.00 C ATOM 892 OH TYR A 81 17.058 -19.311 1.927 1.00 0.00 O ATOM 0 H TYR A 81 15.712 -13.299 2.271 1.00 0.00 H new ATOM 0 HA TYR A 81 15.922 -14.029 5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.943 -13.295 2.888 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.392 -13.851 4.488 1.00 0.00 H new ATOM 0 HD1 TYR A 81 15.422 -15.576 3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.451 -15.466 2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.194 -17.911 3.169 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.218 -17.805 1.680 1.00 0.00 H new ATOM 0 HH TYR A 81 17.893 -19.597 1.500 1.00 0.00 H new ATOM 902 N VAL A 82 15.817 -10.976 4.385 1.00 0.00 N ATOM 903 CA VAL A 82 15.953 -9.622 4.903 1.00 0.00 C ATOM 904 C VAL A 82 14.579 -9.028 5.196 1.00 0.00 C ATOM 905 O VAL A 82 13.571 -9.470 4.648 1.00 0.00 O ATOM 906 CB VAL A 82 16.678 -8.746 3.880 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.655 -8.081 2.954 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.492 -7.675 4.610 1.00 0.00 C ATOM 0 H VAL A 82 15.154 -11.073 3.616 1.00 0.00 H new ATOM 0 HA VAL A 82 16.530 -9.658 5.827 1.00 0.00 H new ATOM 0 HB VAL A 82 17.350 -9.364 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 82 16.174 -7.457 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.084 -8.849 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.978 -7.463 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.009 -7.051 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.824 -7.056 5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.224 -8.154 5.260 1.00 0.00 H new ATOM 918 N ASP A 83 14.542 -8.024 6.062 1.00 0.00 N ATOM 919 CA ASP A 83 13.282 -7.378 6.409 1.00 0.00 C ATOM 920 C ASP A 83 13.336 -5.891 6.076 1.00 0.00 C ATOM 921 O ASP A 83 14.364 -5.242 6.265 1.00 0.00 O ATOM 922 CB ASP A 83 12.983 -7.568 7.896 1.00 0.00 C ATOM 923 CG ASP A 83 12.594 -9.018 8.165 1.00 0.00 C ATOM 924 OD1 ASP A 83 12.342 -9.731 7.207 1.00 0.00 O ATOM 925 OD2 ASP A 83 12.552 -9.394 9.325 1.00 0.00 O ATOM 0 H ASP A 83 15.362 -7.642 6.534 1.00 0.00 H new ATOM 0 HA ASP A 83 12.486 -7.839 5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.858 -7.301 8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.175 -6.903 8.202 1.00 0.00 H new ATOM 930 N VAL A 84 12.226 -5.362 5.578 1.00 0.00 N ATOM 931 CA VAL A 84 12.163 -3.949 5.218 1.00 0.00 C ATOM 932 C VAL A 84 11.652 -3.115 6.386 1.00 0.00 C ATOM 933 O VAL A 84 10.587 -3.386 6.942 1.00 0.00 O ATOM 934 CB VAL A 84 11.255 -3.742 3.997 1.00 0.00 C ATOM 935 CG1 VAL A 84 9.832 -4.233 4.291 1.00 0.00 C ATOM 936 CG2 VAL A 84 11.211 -2.254 3.648 1.00 0.00 C ATOM 0 H VAL A 84 11.364 -5.883 5.415 1.00 0.00 H new ATOM 0 HA VAL A 84 13.173 -3.622 4.969 1.00 0.00 H new ATOM 0 HB VAL A 84 11.658 -4.313 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.205 -4.077 3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.857 -5.295 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.422 -3.676 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.567 -2.102 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.817 -1.693 4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.217 -1.904 3.418 1.00 0.00 H new ATOM 946 N ILE A 85 12.422 -2.093 6.750 1.00 0.00 N ATOM 947 CA ILE A 85 12.045 -1.214 7.847 1.00 0.00 C ATOM 948 C ILE A 85 12.101 0.250 7.412 1.00 0.00 C ATOM 949 O ILE A 85 12.844 0.615 6.494 1.00 0.00 O ATOM 950 CB ILE A 85 12.975 -1.437 9.047 1.00 0.00 C ATOM 951 CG1 ILE A 85 14.424 -1.144 8.645 1.00 0.00 C ATOM 952 CG2 ILE A 85 12.873 -2.891 9.513 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.301 -1.106 9.899 1.00 0.00 C ATOM 0 H ILE A 85 13.307 -1.856 6.302 1.00 0.00 H new ATOM 0 HA ILE A 85 11.022 -1.451 8.138 1.00 0.00 H new ATOM 0 HB ILE A 85 12.677 -0.768 9.854 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.785 -1.910 7.959 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.482 -0.191 8.118 1.00 0.00 H new ATOM 0 HG21 ILE A 85 13.534 -3.047 10.365 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.846 -3.108 9.806 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.166 -3.555 8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.333 -0.898 9.615 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.944 -0.324 10.569 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.252 -2.069 10.407 1.00 0.00 H new ATOM 965 N SER A 86 11.313 1.084 8.082 1.00 0.00 N ATOM 966 CA SER A 86 11.271 2.506 7.765 1.00 0.00 C ATOM 967 C SER A 86 11.901 3.325 8.887 1.00 0.00 C ATOM 968 O SER A 86 11.573 3.143 10.060 1.00 0.00 O ATOM 969 CB SER A 86 9.825 2.956 7.556 1.00 0.00 C ATOM 970 OG SER A 86 9.796 4.361 7.341 1.00 0.00 O ATOM 0 H SER A 86 10.697 0.801 8.845 1.00 0.00 H new ATOM 0 HA SER A 86 11.837 2.668 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.390 2.437 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.222 2.697 8.427 1.00 0.00 H new ATOM 0 HG SER A 86 8.870 4.652 7.205 1.00 0.00 H new ATOM 976 N GLU A 87 12.803 4.226 8.516 1.00 0.00 N ATOM 977 CA GLU A 87 13.476 5.070 9.495 1.00 0.00 C ATOM 978 C GLU A 87 14.020 4.231 10.646 1.00 0.00 C ATOM 979 O GLU A 87 15.217 3.994 10.666 1.00 0.00 O ATOM 980 CB GLU A 87 12.501 6.117 10.040 1.00 0.00 C ATOM 981 CG GLU A 87 13.261 7.407 10.359 1.00 0.00 C ATOM 982 CD GLU A 87 13.988 7.273 11.693 1.00 0.00 C ATOM 983 OE1 GLU A 87 13.546 6.484 12.511 1.00 0.00 O ATOM 984 OE2 GLU A 87 14.978 7.962 11.876 1.00 0.00 O ATOM 0 H GLU A 87 13.084 4.390 7.549 1.00 0.00 H new ATOM 0 HA GLU A 87 14.309 5.570 9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.718 6.315 9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.011 5.740 10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.977 7.621 9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.567 8.247 10.397 1.00 0.00 H new TER 991 GLU A 87