USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 785 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 SER OG : rot 180:sc= -0.009 USER MOD Single : A 16 GLN : amide:sc= -0.184 K(o=-0.18,f=-3.5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-0.95) USER MOD Single : A 23 SER OG : rot 66:sc= -4.33! USER MOD Single : A 24 MET CE :methyl -144:sc= -0.69 (180deg=-2.65!) USER MOD Single : A 29 GLN : amide:sc= 0.531 K(o=0.53,f=-0.5) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -164:sc= 0 (180deg=-0.461) USER MOD Single : A 40 THR OG1 : rot -160:sc= -2.56! USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 45 GLN : amide:sc= -0.896 K(o=-0.9,f=-2.8!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= -0.403 (180deg=-1.43) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00589 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 161:sc= 1.54 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.3) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 92 LYS NZ :NH3+ 138:sc= -1.48 (180deg=-3.97!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.99 K(o=-0.99,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -11.155 13.078 -5.492 1.00 0.00 N ATOM 2 CA ALA A 8 -11.550 12.413 -4.256 1.00 0.00 C ATOM 3 C ALA A 8 -10.439 11.502 -3.744 1.00 0.00 C ATOM 4 O ALA A 8 -10.531 10.278 -3.842 1.00 0.00 O ATOM 5 CB ALA A 8 -12.830 11.620 -4.470 1.00 0.00 C ATOM 0 HA ALA A 8 -11.732 13.179 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.113 11.129 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.628 12.294 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.667 10.868 -5.242 1.00 0.00 H new ATOM 11 N ASP A 9 -9.389 12.106 -3.200 1.00 0.00 N ATOM 12 CA ASP A 9 -8.258 11.350 -2.674 1.00 0.00 C ATOM 13 C ASP A 9 -8.465 11.015 -1.200 1.00 0.00 C ATOM 14 O ASP A 9 -8.460 11.900 -0.345 1.00 0.00 O ATOM 15 CB ASP A 9 -6.961 12.141 -2.853 1.00 0.00 C ATOM 16 CG ASP A 9 -6.811 12.696 -4.255 1.00 0.00 C ATOM 17 OD1 ASP A 9 -6.935 11.912 -5.220 1.00 0.00 O ATOM 18 OD2 ASP A 9 -6.567 13.914 -4.389 1.00 0.00 O ATOM 0 H ASP A 9 -9.297 13.118 -3.111 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.186 10.417 -3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.937 12.962 -2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.112 11.496 -2.628 1.00 0.00 H new ATOM 23 N ARG A 10 -8.644 9.731 -0.911 1.00 0.00 N ATOM 24 CA ARG A 10 -8.852 9.276 0.459 1.00 0.00 C ATOM 25 C ARG A 10 -8.314 7.862 0.648 1.00 0.00 C ATOM 26 O ARG A 10 -8.280 7.071 -0.294 1.00 0.00 O ATOM 27 CB ARG A 10 -10.339 9.322 0.815 1.00 0.00 C ATOM 28 CG ARG A 10 -11.214 8.505 -0.123 1.00 0.00 C ATOM 29 CD ARG A 10 -12.250 9.371 -0.821 1.00 0.00 C ATOM 30 NE ARG A 10 -13.519 9.400 -0.097 1.00 0.00 N ATOM 31 CZ ARG A 10 -14.421 8.422 -0.142 1.00 0.00 C ATOM 32 NH1 ARG A 10 -14.196 7.337 -0.872 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.550 8.529 0.545 1.00 0.00 N ATOM 0 H ARG A 10 -8.649 8.986 -1.608 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.307 9.945 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.472 8.957 1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.676 10.359 0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.589 8.013 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.717 7.719 0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.866 10.386 -0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.417 8.994 -1.830 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.726 10.218 0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.329 7.250 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.890 6.590 -0.903 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.727 9.361 1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.241 7.780 0.510 1.00 0.00 H new ATOM 47 N LYS A 11 -7.894 7.550 1.870 1.00 0.00 N ATOM 48 CA LYS A 11 -7.357 6.228 2.174 1.00 0.00 C ATOM 49 C LYS A 11 -7.649 5.838 3.619 1.00 0.00 C ATOM 50 O LYS A 11 -7.681 6.689 4.505 1.00 0.00 O ATOM 51 CB LYS A 11 -5.848 6.199 1.924 1.00 0.00 C ATOM 52 CG LYS A 11 -5.082 7.254 2.706 1.00 0.00 C ATOM 53 CD LYS A 11 -3.720 6.741 3.148 1.00 0.00 C ATOM 54 CE LYS A 11 -3.103 7.640 4.208 1.00 0.00 C ATOM 55 NZ LYS A 11 -2.180 6.891 5.103 1.00 0.00 N ATOM 0 H LYS A 11 -7.915 8.191 2.663 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.844 5.507 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.463 5.213 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.662 6.341 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.954 8.144 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.661 7.552 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.821 5.729 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.055 6.683 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.560 8.452 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.895 8.096 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.781 7.540 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.703 6.132 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.410 6.477 4.540 1.00 0.00 H new ATOM 69 N LEU A 12 -7.879 4.550 3.848 1.00 0.00 N ATOM 70 CA LEU A 12 -8.190 4.055 5.176 1.00 0.00 C ATOM 71 C LEU A 12 -6.956 3.699 5.963 1.00 0.00 C ATOM 72 O LEU A 12 -5.965 3.194 5.435 1.00 0.00 O ATOM 73 CB LEU A 12 -9.103 2.848 5.072 1.00 0.00 C ATOM 74 CG LEU A 12 -10.468 3.216 4.543 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.692 2.631 3.157 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.565 2.781 5.503 1.00 0.00 C ATOM 0 H LEU A 12 -7.855 3.830 3.126 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.693 4.859 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.648 2.105 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.207 2.386 6.054 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.511 4.302 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.683 2.911 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.937 3.017 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.617 1.545 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.537 3.059 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.524 1.700 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.421 3.271 6.466 1.00 0.00 H new ATOM 88 N CYS A 13 -7.049 3.986 7.243 1.00 0.00 N ATOM 89 CA CYS A 13 -5.960 3.725 8.177 1.00 0.00 C ATOM 90 C CYS A 13 -6.466 3.036 9.436 1.00 0.00 C ATOM 91 O CYS A 13 -7.666 3.023 9.713 1.00 0.00 O ATOM 92 CB CYS A 13 -5.259 5.032 8.553 1.00 0.00 C ATOM 93 SG CYS A 13 -3.527 4.821 9.083 1.00 0.00 S ATOM 0 H CYS A 13 -7.875 4.405 7.671 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.250 3.062 7.683 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.286 5.706 7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.817 5.514 9.356 1.00 0.00 H new ATOM 98 N ALA A 14 -5.539 2.469 10.198 1.00 0.00 N ATOM 99 CA ALA A 14 -5.876 1.779 11.435 1.00 0.00 C ATOM 100 C ALA A 14 -6.248 2.772 12.533 1.00 0.00 C ATOM 101 O ALA A 14 -5.602 2.829 13.581 1.00 0.00 O ATOM 102 CB ALA A 14 -4.712 0.903 11.878 1.00 0.00 C ATOM 0 H ALA A 14 -4.543 2.474 9.979 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.744 1.146 11.250 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.974 0.391 12.804 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.496 0.166 11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.832 1.524 12.043 1.00 0.00 H new ATOM 108 N ASP A 15 -7.295 3.554 12.288 1.00 0.00 N ATOM 109 CA ASP A 15 -7.752 4.545 13.257 1.00 0.00 C ATOM 110 C ASP A 15 -6.678 5.597 13.509 1.00 0.00 C ATOM 111 O ASP A 15 -5.652 5.625 12.830 1.00 0.00 O ATOM 112 CB ASP A 15 -8.137 3.865 14.572 1.00 0.00 C ATOM 113 CG ASP A 15 -9.381 4.469 15.193 1.00 0.00 C ATOM 114 OD1 ASP A 15 -9.246 5.431 15.978 1.00 0.00 O ATOM 115 OD2 ASP A 15 -10.491 3.979 14.894 1.00 0.00 O ATOM 0 H ASP A 15 -7.842 3.521 11.428 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.630 5.042 12.843 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.303 2.803 14.393 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.308 3.945 15.275 1.00 0.00 H new ATOM 120 N GLN A 16 -6.919 6.460 14.490 1.00 0.00 N ATOM 121 CA GLN A 16 -5.970 7.515 14.832 1.00 0.00 C ATOM 122 C GLN A 16 -4.596 6.937 15.163 1.00 0.00 C ATOM 123 O GLN A 16 -3.584 7.632 15.076 1.00 0.00 O ATOM 124 CB GLN A 16 -6.491 8.331 16.018 1.00 0.00 C ATOM 125 CG GLN A 16 -7.860 8.946 15.780 1.00 0.00 C ATOM 126 CD GLN A 16 -7.793 10.206 14.938 1.00 0.00 C ATOM 127 OE1 GLN A 16 -6.911 10.356 14.092 1.00 0.00 O ATOM 128 NE2 GLN A 16 -8.728 11.121 15.167 1.00 0.00 N ATOM 0 H GLN A 16 -7.763 6.450 15.063 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.866 8.166 13.964 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.539 7.688 16.897 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.779 9.125 16.242 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.501 8.216 15.286 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.322 9.178 16.739 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.440 10.955 15.878 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.734 11.989 14.632 1.00 0.00 H new ATOM 137 N GLU A 17 -4.568 5.665 15.549 1.00 0.00 N ATOM 138 CA GLU A 17 -3.319 5.000 15.898 1.00 0.00 C ATOM 139 C GLU A 17 -2.448 4.780 14.664 1.00 0.00 C ATOM 140 O GLU A 17 -1.339 5.306 14.575 1.00 0.00 O ATOM 141 CB GLU A 17 -3.605 3.661 16.579 1.00 0.00 C ATOM 142 CG GLU A 17 -2.639 3.335 17.707 1.00 0.00 C ATOM 143 CD GLU A 17 -3.233 2.380 18.724 1.00 0.00 C ATOM 144 OE1 GLU A 17 -3.224 1.157 18.466 1.00 0.00 O ATOM 145 OE2 GLU A 17 -3.705 2.854 19.779 1.00 0.00 O ATOM 0 H GLU A 17 -5.396 5.075 15.628 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.777 5.646 16.589 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.621 3.673 16.974 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.562 2.867 15.834 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.732 2.897 17.289 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.346 4.258 18.208 1.00 0.00 H new ATOM 152 N CYS A 18 -2.956 3.995 13.718 1.00 0.00 N ATOM 153 CA CYS A 18 -2.220 3.701 12.493 1.00 0.00 C ATOM 154 C CYS A 18 -0.885 3.031 12.810 1.00 0.00 C ATOM 155 O CYS A 18 0.071 3.138 12.043 1.00 0.00 O ATOM 156 CB CYS A 18 -1.979 4.983 11.692 1.00 0.00 C ATOM 157 SG CYS A 18 -3.477 5.679 10.923 1.00 0.00 S ATOM 0 H CYS A 18 -3.873 3.552 13.776 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.822 3.016 11.895 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.541 5.733 12.351 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.246 4.778 10.912 1.00 0.00 H new ATOM 162 N SER A 19 -0.828 2.341 13.946 1.00 0.00 N ATOM 163 CA SER A 19 0.390 1.656 14.362 1.00 0.00 C ATOM 164 C SER A 19 0.542 0.323 13.635 1.00 0.00 C ATOM 165 O SER A 19 1.307 0.214 12.676 1.00 0.00 O ATOM 166 CB SER A 19 0.380 1.429 15.876 1.00 0.00 C ATOM 167 OG SER A 19 1.023 2.493 16.556 1.00 0.00 O ATOM 0 H SER A 19 -1.610 2.242 14.593 1.00 0.00 H new ATOM 0 HA SER A 19 1.239 2.288 14.102 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.648 1.338 16.226 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.880 0.489 16.109 1.00 0.00 H new ATOM 0 HG SER A 19 1.002 2.325 17.521 1.00 0.00 H new ATOM 173 N HIS A 20 -0.189 -0.686 14.094 1.00 0.00 N ATOM 174 CA HIS A 20 -0.132 -2.010 13.484 1.00 0.00 C ATOM 175 C HIS A 20 -0.634 -1.962 12.041 1.00 0.00 C ATOM 176 O HIS A 20 -1.684 -1.384 11.762 1.00 0.00 O ATOM 177 CB HIS A 20 -0.965 -3.004 14.294 1.00 0.00 C ATOM 178 CG HIS A 20 -0.545 -3.108 15.727 1.00 0.00 C ATOM 179 ND1 HIS A 20 0.529 -2.418 16.249 1.00 0.00 N ATOM 180 CD2 HIS A 20 -1.060 -3.829 16.752 1.00 0.00 C ATOM 181 CE1 HIS A 20 0.656 -2.711 17.531 1.00 0.00 C ATOM 182 NE2 HIS A 20 -0.296 -3.563 17.861 1.00 0.00 N ATOM 0 H HIS A 20 -0.828 -0.613 14.886 1.00 0.00 H new ATOM 0 HA HIS A 20 0.907 -2.339 13.480 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.013 -2.707 14.252 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.894 -3.988 13.831 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.913 -4.490 16.705 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.411 -2.319 18.196 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.441 -3.960 18.790 1.00 0.00 H new ATOM 191 N PRO A 21 0.110 -2.571 11.100 1.00 0.00 N ATOM 192 CA PRO A 21 -0.274 -2.589 9.684 1.00 0.00 C ATOM 193 C PRO A 21 -1.697 -3.100 9.478 1.00 0.00 C ATOM 194 O PRO A 21 -2.402 -3.407 10.438 1.00 0.00 O ATOM 195 CB PRO A 21 0.735 -3.550 9.050 1.00 0.00 C ATOM 196 CG PRO A 21 1.921 -3.503 9.951 1.00 0.00 C ATOM 197 CD PRO A 21 1.379 -3.287 11.337 1.00 0.00 C ATOM 0 HA PRO A 21 -0.262 -1.591 9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.330 -4.560 8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.994 -3.240 8.038 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.491 -4.430 9.895 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.596 -2.696 9.666 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.217 -4.231 11.857 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.063 -2.700 11.949 1.00 0.00 H new ATOM 205 N ILE A 22 -2.107 -3.191 8.218 1.00 0.00 N ATOM 206 CA ILE A 22 -3.443 -3.667 7.881 1.00 0.00 C ATOM 207 C ILE A 22 -3.505 -5.185 7.945 1.00 0.00 C ATOM 208 O ILE A 22 -4.433 -5.762 8.507 1.00 0.00 O ATOM 209 CB ILE A 22 -3.868 -3.201 6.462 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.333 -2.762 6.469 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.642 -4.296 5.412 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.536 -1.342 6.953 1.00 0.00 C ATOM 0 H ILE A 22 -1.533 -2.941 7.413 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.131 -3.243 8.613 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.241 -2.352 6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.737 -2.855 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.904 -3.439 7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.952 -3.931 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.585 -4.560 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.229 -5.177 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.598 -1.099 6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.163 -1.248 7.973 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.993 -0.655 6.304 1.00 0.00 H new ATOM 224 N SER A 23 -2.515 -5.813 7.335 1.00 0.00 N ATOM 225 CA SER A 23 -2.442 -7.259 7.276 1.00 0.00 C ATOM 226 C SER A 23 -1.130 -7.690 6.645 1.00 0.00 C ATOM 227 O SER A 23 -0.223 -6.881 6.447 1.00 0.00 O ATOM 228 CB SER A 23 -3.623 -7.803 6.464 1.00 0.00 C ATOM 229 OG SER A 23 -4.814 -7.799 7.231 1.00 0.00 O ATOM 0 H SER A 23 -1.743 -5.336 6.869 1.00 0.00 H new ATOM 0 HA SER A 23 -2.490 -7.661 8.288 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.762 -7.198 5.568 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.404 -8.818 6.132 1.00 0.00 H new ATOM 0 HG SER A 23 -5.076 -6.875 7.424 1.00 0.00 H new ATOM 235 N MET A 24 -1.042 -8.965 6.332 1.00 0.00 N ATOM 236 CA MET A 24 0.157 -9.521 5.717 1.00 0.00 C ATOM 237 C MET A 24 -0.206 -10.356 4.497 1.00 0.00 C ATOM 238 O MET A 24 -0.933 -11.345 4.603 1.00 0.00 O ATOM 239 CB MET A 24 0.926 -10.373 6.725 1.00 0.00 C ATOM 240 CG MET A 24 2.174 -11.023 6.151 1.00 0.00 C ATOM 241 SD MET A 24 2.941 -12.187 7.295 1.00 0.00 S ATOM 242 CE MET A 24 3.068 -11.181 8.770 1.00 0.00 C ATOM 0 H MET A 24 -1.787 -9.643 6.492 1.00 0.00 H new ATOM 0 HA MET A 24 0.792 -8.695 5.398 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.209 -9.749 7.573 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.266 -11.151 7.108 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.916 -11.543 5.228 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.895 -10.248 5.890 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.989 -11.426 9.299 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.078 -10.127 8.492 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.214 -11.377 9.419 1.00 0.00 H new ATOM 252 N ALA A 25 0.301 -9.955 3.337 1.00 0.00 N ATOM 253 CA ALA A 25 0.019 -10.672 2.103 1.00 0.00 C ATOM 254 C ALA A 25 1.298 -11.070 1.385 1.00 0.00 C ATOM 255 O ALA A 25 2.253 -10.297 1.311 1.00 0.00 O ATOM 256 CB ALA A 25 -0.869 -9.835 1.193 1.00 0.00 C ATOM 0 H ALA A 25 0.906 -9.141 3.227 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.511 -11.588 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.070 -10.386 0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.809 -9.619 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.364 -8.900 0.952 1.00 0.00 H new ATOM 262 N VAL A 26 1.305 -12.288 0.858 1.00 0.00 N ATOM 263 CA VAL A 26 2.462 -12.805 0.144 1.00 0.00 C ATOM 264 C VAL A 26 2.276 -12.703 -1.364 1.00 0.00 C ATOM 265 O VAL A 26 1.158 -12.780 -1.871 1.00 0.00 O ATOM 266 CB VAL A 26 2.738 -14.273 0.515 1.00 0.00 C ATOM 267 CG1 VAL A 26 4.057 -14.738 -0.081 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.732 -14.453 2.026 1.00 0.00 C ATOM 0 H VAL A 26 0.520 -12.936 0.913 1.00 0.00 H new ATOM 0 HA VAL A 26 3.313 -12.192 0.442 1.00 0.00 H new ATOM 0 HB VAL A 26 1.942 -14.889 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.233 -15.778 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.017 -14.651 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.868 -14.119 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.929 -15.497 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.504 -13.825 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.758 -14.166 2.423 1.00 0.00 H new ATOM 278 N ALA A 27 3.382 -12.533 -2.071 1.00 0.00 N ATOM 279 CA ALA A 27 3.359 -12.421 -3.523 1.00 0.00 C ATOM 280 C ALA A 27 2.773 -13.673 -4.164 1.00 0.00 C ATOM 281 O ALA A 27 3.185 -14.791 -3.856 1.00 0.00 O ATOM 282 CB ALA A 27 4.763 -12.171 -4.050 1.00 0.00 C ATOM 0 H ALA A 27 4.314 -12.469 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 27 2.721 -11.577 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.735 -12.089 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.151 -11.245 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.411 -13.000 -3.766 1.00 0.00 H new ATOM 288 N LEU A 28 1.814 -13.479 -5.063 1.00 0.00 N ATOM 289 CA LEU A 28 1.180 -14.595 -5.754 1.00 0.00 C ATOM 290 C LEU A 28 1.845 -14.854 -7.107 1.00 0.00 C ATOM 291 O LEU A 28 1.363 -15.671 -7.888 1.00 0.00 O ATOM 292 CB LEU A 28 -0.315 -14.323 -5.946 1.00 0.00 C ATOM 293 CG LEU A 28 -1.235 -15.501 -5.618 1.00 0.00 C ATOM 294 CD1 LEU A 28 -2.684 -15.145 -5.913 1.00 0.00 C ATOM 295 CD2 LEU A 28 -0.818 -16.736 -6.401 1.00 0.00 C ATOM 0 H LEU A 28 1.459 -12.561 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 28 1.302 -15.485 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.598 -13.476 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.485 -14.026 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.146 -15.722 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.323 -15.995 -5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.978 -14.288 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.790 -14.897 -6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.483 -17.564 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.878 -16.527 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.206 -17.003 -6.140 1.00 0.00 H new ATOM 307 N GLN A 29 2.957 -14.152 -7.365 1.00 0.00 N ATOM 308 CA GLN A 29 3.719 -14.286 -8.607 1.00 0.00 C ATOM 309 C GLN A 29 4.526 -13.022 -8.891 1.00 0.00 C ATOM 310 O GLN A 29 4.250 -11.958 -8.336 1.00 0.00 O ATOM 311 CB GLN A 29 2.807 -14.593 -9.795 1.00 0.00 C ATOM 312 CG GLN A 29 2.743 -16.072 -10.113 1.00 0.00 C ATOM 313 CD GLN A 29 1.457 -16.467 -10.813 1.00 0.00 C ATOM 314 OE1 GLN A 29 1.397 -16.521 -12.041 1.00 0.00 O ATOM 315 NE2 GLN A 29 0.420 -16.745 -10.032 1.00 0.00 N ATOM 0 H GLN A 29 3.352 -13.474 -6.714 1.00 0.00 H new ATOM 0 HA GLN A 29 4.404 -15.123 -8.474 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.803 -14.227 -9.581 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.164 -14.052 -10.671 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.591 -16.341 -10.742 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.838 -16.642 -9.189 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.515 -16.687 -9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.472 -17.016 -10.446 1.00 0.00 H new ATOM 324 N ASP A 30 5.526 -13.149 -9.759 1.00 0.00 N ATOM 325 CA ASP A 30 6.377 -12.020 -10.121 1.00 0.00 C ATOM 326 C ASP A 30 5.574 -10.943 -10.842 1.00 0.00 C ATOM 327 O ASP A 30 4.694 -11.245 -11.647 1.00 0.00 O ATOM 328 CB ASP A 30 7.533 -12.489 -11.006 1.00 0.00 C ATOM 329 CG ASP A 30 8.641 -11.459 -11.103 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.903 -10.772 -10.093 1.00 0.00 O ATOM 331 OD2 ASP A 30 9.245 -11.336 -12.189 1.00 0.00 O ATOM 0 H ASP A 30 5.767 -14.024 -10.225 1.00 0.00 H new ATOM 0 HA ASP A 30 6.781 -11.593 -9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.939 -13.419 -10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.156 -12.709 -12.005 1.00 0.00 H new ATOM 336 N TYR A 31 5.881 -9.683 -10.545 1.00 0.00 N ATOM 337 CA TYR A 31 5.183 -8.563 -11.165 1.00 0.00 C ATOM 338 C TYR A 31 5.991 -7.272 -11.034 1.00 0.00 C ATOM 339 O TYR A 31 5.801 -6.504 -10.091 1.00 0.00 O ATOM 340 CB TYR A 31 3.800 -8.397 -10.527 1.00 0.00 C ATOM 341 CG TYR A 31 3.120 -7.086 -10.853 1.00 0.00 C ATOM 342 CD1 TYR A 31 3.087 -6.599 -12.154 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.512 -6.335 -9.857 1.00 0.00 C ATOM 344 CE1 TYR A 31 2.466 -5.400 -12.451 1.00 0.00 C ATOM 345 CE2 TYR A 31 1.889 -5.138 -10.144 1.00 0.00 C ATOM 346 CZ TYR A 31 1.869 -4.673 -11.443 1.00 0.00 C ATOM 347 OH TYR A 31 1.249 -3.480 -11.734 1.00 0.00 O ATOM 0 H TYR A 31 6.607 -9.414 -9.881 1.00 0.00 H new ATOM 0 HA TYR A 31 5.063 -8.775 -12.228 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.160 -9.216 -10.855 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.899 -8.483 -9.445 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.554 -7.166 -12.946 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.527 -6.694 -8.839 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.449 -5.035 -13.467 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.419 -4.568 -9.356 1.00 0.00 H new ATOM 0 HH TYR A 31 0.878 -3.095 -10.913 1.00 0.00 H new ATOM 357 N MET A 32 6.896 -7.045 -11.981 1.00 0.00 N ATOM 358 CA MET A 32 7.733 -5.869 -11.976 1.00 0.00 C ATOM 359 C MET A 32 6.906 -4.601 -12.166 1.00 0.00 C ATOM 360 O MET A 32 6.571 -4.231 -13.291 1.00 0.00 O ATOM 361 CB MET A 32 8.794 -5.968 -13.073 1.00 0.00 C ATOM 362 CG MET A 32 8.214 -6.133 -14.468 1.00 0.00 C ATOM 363 SD MET A 32 9.328 -7.008 -15.584 1.00 0.00 S ATOM 364 CE MET A 32 10.867 -6.146 -15.269 1.00 0.00 C ATOM 0 H MET A 32 7.063 -7.673 -12.767 1.00 0.00 H new ATOM 0 HA MET A 32 8.225 -5.813 -11.005 1.00 0.00 H new ATOM 0 HB2 MET A 32 9.413 -5.071 -13.050 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.448 -6.813 -12.859 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.271 -6.675 -14.403 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.989 -5.150 -14.882 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.577 -6.365 -16.067 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.682 -5.072 -15.233 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.280 -6.475 -14.315 1.00 0.00 H new ATOM 374 N ALA A 33 6.576 -3.945 -11.053 1.00 0.00 N ATOM 375 CA ALA A 33 5.786 -2.725 -11.070 1.00 0.00 C ATOM 376 C ALA A 33 6.162 -1.814 -12.242 1.00 0.00 C ATOM 377 O ALA A 33 7.158 -1.092 -12.181 1.00 0.00 O ATOM 378 CB ALA A 33 5.948 -1.980 -9.752 1.00 0.00 C ATOM 0 H ALA A 33 6.851 -4.248 -10.119 1.00 0.00 H new ATOM 0 HA ALA A 33 4.742 -3.010 -11.200 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.352 -1.067 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.610 -2.614 -8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.997 -1.725 -9.605 1.00 0.00 H new ATOM 384 N PRO A 34 5.370 -1.840 -13.330 1.00 0.00 N ATOM 385 CA PRO A 34 5.626 -1.021 -14.514 1.00 0.00 C ATOM 386 C PRO A 34 5.039 0.385 -14.403 1.00 0.00 C ATOM 387 O PRO A 34 4.878 1.078 -15.408 1.00 0.00 O ATOM 388 CB PRO A 34 4.920 -1.808 -15.612 1.00 0.00 C ATOM 389 CG PRO A 34 3.752 -2.435 -14.929 1.00 0.00 C ATOM 390 CD PRO A 34 4.164 -2.675 -13.497 1.00 0.00 C ATOM 0 HA PRO A 34 6.691 -0.859 -14.683 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.601 -1.156 -16.425 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.577 -2.561 -16.046 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.880 -1.783 -14.977 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.477 -3.371 -15.415 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.377 -2.384 -12.801 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.379 -3.728 -13.314 1.00 0.00 H new ATOM 398 N ASP A 35 4.719 0.804 -13.181 1.00 0.00 N ATOM 399 CA ASP A 35 4.149 2.128 -12.955 1.00 0.00 C ATOM 400 C ASP A 35 5.192 3.079 -12.375 1.00 0.00 C ATOM 401 O ASP A 35 5.362 3.162 -11.158 1.00 0.00 O ATOM 402 CB ASP A 35 2.947 2.035 -12.014 1.00 0.00 C ATOM 403 CG ASP A 35 1.857 3.026 -12.371 1.00 0.00 C ATOM 404 OD1 ASP A 35 1.241 2.871 -13.446 1.00 0.00 O ATOM 405 OD2 ASP A 35 1.618 3.958 -11.574 1.00 0.00 O ATOM 0 H ASP A 35 4.844 0.248 -12.335 1.00 0.00 H new ATOM 0 HA ASP A 35 3.819 2.523 -13.916 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.540 1.024 -12.047 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.276 2.213 -10.990 1.00 0.00 H new ATOM 410 N CYS A 36 5.884 3.798 -13.254 1.00 0.00 N ATOM 411 CA CYS A 36 6.910 4.748 -12.835 1.00 0.00 C ATOM 412 C CYS A 36 8.105 4.028 -12.215 1.00 0.00 C ATOM 413 O CYS A 36 9.182 3.970 -12.810 1.00 0.00 O ATOM 414 CB CYS A 36 6.331 5.758 -11.839 1.00 0.00 C ATOM 415 SG CYS A 36 7.068 7.420 -11.951 1.00 0.00 S ATOM 0 H CYS A 36 5.752 3.741 -14.264 1.00 0.00 H new ATOM 0 HA CYS A 36 7.253 5.282 -13.721 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.256 5.837 -12.002 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.473 5.377 -10.828 1.00 0.00 H new ATOM 420 N ARG A 37 7.912 3.483 -11.017 1.00 0.00 N ATOM 421 CA ARG A 37 8.975 2.769 -10.317 1.00 0.00 C ATOM 422 C ARG A 37 8.510 2.320 -8.935 1.00 0.00 C ATOM 423 O ARG A 37 9.260 2.393 -7.962 1.00 0.00 O ATOM 424 CB ARG A 37 10.218 3.654 -10.191 1.00 0.00 C ATOM 425 CG ARG A 37 11.493 2.987 -10.684 1.00 0.00 C ATOM 426 CD ARG A 37 12.727 3.576 -10.018 1.00 0.00 C ATOM 427 NE ARG A 37 13.691 4.076 -10.995 1.00 0.00 N ATOM 428 CZ ARG A 37 14.516 3.295 -11.688 1.00 0.00 C ATOM 429 NH1 ARG A 37 14.500 1.980 -11.513 1.00 0.00 N ATOM 430 NH2 ARG A 37 15.363 3.831 -12.557 1.00 0.00 N ATOM 0 H ARG A 37 7.028 3.523 -10.510 1.00 0.00 H new ATOM 0 HA ARG A 37 9.229 1.883 -10.900 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.058 4.573 -10.754 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.347 3.938 -9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.446 1.917 -10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.571 3.104 -11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.428 4.388 -9.355 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.201 2.816 -9.397 1.00 0.00 H new ATOM 0 HE ARG A 37 13.734 5.082 -11.155 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.853 1.562 -10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.135 1.387 -12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.382 4.842 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.995 3.233 -13.088 1.00 0.00 H new ATOM 444 N PHE A 38 7.265 1.859 -8.854 1.00 0.00 N ATOM 445 CA PHE A 38 6.701 1.403 -7.590 1.00 0.00 C ATOM 446 C PHE A 38 7.379 0.119 -7.118 1.00 0.00 C ATOM 447 O PHE A 38 8.340 -0.348 -7.729 1.00 0.00 O ATOM 448 CB PHE A 38 5.194 1.179 -7.731 1.00 0.00 C ATOM 449 CG PHE A 38 4.370 2.352 -7.278 1.00 0.00 C ATOM 450 CD1 PHE A 38 4.623 2.961 -6.059 1.00 0.00 C ATOM 451 CD2 PHE A 38 3.347 2.846 -8.070 1.00 0.00 C ATOM 452 CE1 PHE A 38 3.869 4.041 -5.639 1.00 0.00 C ATOM 453 CE2 PHE A 38 2.590 3.925 -7.656 1.00 0.00 C ATOM 454 CZ PHE A 38 2.851 4.523 -6.438 1.00 0.00 C ATOM 0 H PHE A 38 6.629 1.792 -9.649 1.00 0.00 H new ATOM 0 HA PHE A 38 6.878 2.177 -6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.962 0.963 -8.774 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.909 0.300 -7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.418 2.588 -5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.138 2.382 -9.023 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.076 4.507 -4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.795 4.301 -8.284 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.260 5.366 -6.111 1.00 0.00 H new ATOM 464 N LEU A 39 6.871 -0.442 -6.025 1.00 0.00 N ATOM 465 CA LEU A 39 7.427 -1.669 -5.465 1.00 0.00 C ATOM 466 C LEU A 39 6.921 -2.895 -6.218 1.00 0.00 C ATOM 467 O LEU A 39 5.722 -3.178 -6.230 1.00 0.00 O ATOM 468 CB LEU A 39 7.065 -1.782 -3.983 1.00 0.00 C ATOM 469 CG LEU A 39 7.843 -2.843 -3.205 1.00 0.00 C ATOM 470 CD1 LEU A 39 9.229 -2.330 -2.843 1.00 0.00 C ATOM 471 CD2 LEU A 39 7.079 -3.252 -1.953 1.00 0.00 C ATOM 0 H LEU A 39 6.075 -0.066 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 39 8.511 -1.627 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.229 -0.814 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.000 -2.001 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 39 7.958 -3.722 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.768 -3.099 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.776 -2.087 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.136 -1.436 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.647 -4.008 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.933 -2.381 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.109 -3.661 -2.236 1.00 0.00 H new ATOM 483 N THR A 40 7.842 -3.620 -6.846 1.00 0.00 N ATOM 484 CA THR A 40 7.488 -4.816 -7.601 1.00 0.00 C ATOM 485 C THR A 40 7.156 -5.979 -6.673 1.00 0.00 C ATOM 486 O THR A 40 7.376 -5.908 -5.465 1.00 0.00 O ATOM 487 CB THR A 40 8.628 -5.218 -8.537 1.00 0.00 C ATOM 488 OG1 THR A 40 8.414 -6.521 -9.050 1.00 0.00 O ATOM 489 CG2 THR A 40 9.986 -5.209 -7.872 1.00 0.00 C ATOM 0 H THR A 40 8.838 -3.400 -6.847 1.00 0.00 H new ATOM 0 HA THR A 40 6.603 -4.580 -8.192 1.00 0.00 H new ATOM 0 HB THR A 40 8.626 -4.470 -9.330 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.263 -6.888 -9.375 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.747 -5.504 -8.595 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.204 -4.206 -7.504 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.987 -5.910 -7.037 1.00 0.00 H new ATOM 497 N ILE A 41 6.629 -7.050 -7.255 1.00 0.00 N ATOM 498 CA ILE A 41 6.266 -8.239 -6.495 1.00 0.00 C ATOM 499 C ILE A 41 6.975 -9.470 -7.055 1.00 0.00 C ATOM 500 O ILE A 41 7.096 -9.626 -8.270 1.00 0.00 O ATOM 501 CB ILE A 41 4.739 -8.465 -6.516 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.017 -7.235 -5.962 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.368 -9.705 -5.715 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.985 -6.068 -6.925 1.00 0.00 C ATOM 0 H ILE A 41 6.443 -7.119 -8.256 1.00 0.00 H new ATOM 0 HA ILE A 41 6.581 -8.083 -5.463 1.00 0.00 H new ATOM 0 HB ILE A 41 4.426 -8.620 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.995 -7.510 -5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.506 -6.921 -5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.288 -9.846 -5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.859 -10.577 -6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.691 -9.581 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.458 -5.232 -6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.005 -5.766 -7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.469 -6.364 -7.839 1.00 0.00 H new ATOM 516 N HIS A 42 7.450 -10.338 -6.165 1.00 0.00 N ATOM 517 CA HIS A 42 8.156 -11.548 -6.581 1.00 0.00 C ATOM 518 C HIS A 42 7.660 -12.770 -5.814 1.00 0.00 C ATOM 519 O HIS A 42 7.387 -12.696 -4.617 1.00 0.00 O ATOM 520 CB HIS A 42 9.663 -11.377 -6.373 1.00 0.00 C ATOM 521 CG HIS A 42 10.480 -11.782 -7.560 1.00 0.00 C ATOM 522 ND1 HIS A 42 10.338 -12.999 -8.193 1.00 0.00 N ATOM 523 CD2 HIS A 42 11.456 -11.125 -8.230 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.190 -13.073 -9.200 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.880 -11.947 -9.245 1.00 0.00 N ATOM 0 H HIS A 42 7.360 -10.227 -5.155 1.00 0.00 H new ATOM 0 HA HIS A 42 7.954 -11.707 -7.640 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.873 -10.334 -6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.972 -11.968 -5.511 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.832 -10.137 -8.007 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.303 -13.911 -9.872 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.609 -11.725 -9.923 1.00 0.00 H new ATOM 534 N ARG A 43 7.547 -13.897 -6.517 1.00 0.00 N ATOM 535 CA ARG A 43 7.085 -15.147 -5.917 1.00 0.00 C ATOM 536 C ARG A 43 7.731 -15.396 -4.555 1.00 0.00 C ATOM 537 O ARG A 43 8.807 -14.876 -4.259 1.00 0.00 O ATOM 538 CB ARG A 43 7.392 -16.326 -6.847 1.00 0.00 C ATOM 539 CG ARG A 43 6.190 -16.837 -7.626 1.00 0.00 C ATOM 540 CD ARG A 43 4.972 -17.023 -6.732 1.00 0.00 C ATOM 541 NE ARG A 43 4.149 -18.153 -7.153 1.00 0.00 N ATOM 542 CZ ARG A 43 4.424 -19.422 -6.859 1.00 0.00 C ATOM 543 NH1 ARG A 43 5.502 -19.726 -6.146 1.00 0.00 N ATOM 544 NH2 ARG A 43 3.620 -20.390 -7.279 1.00 0.00 N ATOM 0 H ARG A 43 7.771 -13.969 -7.509 1.00 0.00 H new ATOM 0 HA ARG A 43 6.008 -15.059 -5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.166 -16.025 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.801 -17.144 -6.254 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.950 -16.135 -8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.441 -17.786 -8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.298 -17.176 -5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.372 -16.113 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 43 3.314 -17.959 -7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.124 -18.986 -5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.708 -20.700 -5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.791 -20.162 -7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.831 -21.362 -7.054 1.00 0.00 H new ATOM 558 N GLY A 44 7.063 -16.209 -3.741 1.00 0.00 N ATOM 559 CA GLY A 44 7.572 -16.542 -2.419 1.00 0.00 C ATOM 560 C GLY A 44 8.118 -15.344 -1.665 1.00 0.00 C ATOM 561 O GLY A 44 9.183 -15.424 -1.052 1.00 0.00 O ATOM 0 H GLY A 44 6.172 -16.647 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.773 -16.997 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.359 -17.289 -2.518 1.00 0.00 H new ATOM 565 N GLN A 45 7.390 -14.234 -1.703 1.00 0.00 N ATOM 566 CA GLN A 45 7.815 -13.023 -1.012 1.00 0.00 C ATOM 567 C GLN A 45 6.656 -12.403 -0.238 1.00 0.00 C ATOM 568 O GLN A 45 5.706 -11.891 -0.830 1.00 0.00 O ATOM 569 CB GLN A 45 8.378 -12.010 -2.011 1.00 0.00 C ATOM 570 CG GLN A 45 9.488 -11.145 -1.437 1.00 0.00 C ATOM 571 CD GLN A 45 10.296 -10.446 -2.513 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.825 -9.497 -3.142 1.00 0.00 O ATOM 573 NE2 GLN A 45 11.519 -10.913 -2.732 1.00 0.00 N ATOM 0 H GLN A 45 6.505 -14.148 -2.203 1.00 0.00 H new ATOM 0 HA GLN A 45 8.597 -13.295 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.758 -12.544 -2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.570 -11.367 -2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.055 -10.399 -0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.152 -11.765 -0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.869 -11.701 -2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.109 -10.484 -3.445 1.00 0.00 H new ATOM 582 N VAL A 46 6.742 -12.451 1.088 1.00 0.00 N ATOM 583 CA VAL A 46 5.701 -11.890 1.938 1.00 0.00 C ATOM 584 C VAL A 46 5.705 -10.366 1.852 1.00 0.00 C ATOM 585 O VAL A 46 6.699 -9.761 1.450 1.00 0.00 O ATOM 586 CB VAL A 46 5.875 -12.330 3.406 1.00 0.00 C ATOM 587 CG1 VAL A 46 4.800 -11.715 4.290 1.00 0.00 C ATOM 588 CG2 VAL A 46 5.853 -13.848 3.509 1.00 0.00 C ATOM 0 H VAL A 46 7.521 -12.872 1.595 1.00 0.00 H new ATOM 0 HA VAL A 46 4.744 -12.268 1.579 1.00 0.00 H new ATOM 0 HB VAL A 46 6.843 -11.972 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.945 -12.041 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.866 -10.628 4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.817 -12.035 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.977 -14.144 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.901 -14.224 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.666 -14.265 2.914 1.00 0.00 H new ATOM 598 N VAL A 47 4.589 -9.748 2.226 1.00 0.00 N ATOM 599 CA VAL A 47 4.462 -8.314 2.185 1.00 0.00 C ATOM 600 C VAL A 47 3.542 -7.819 3.299 1.00 0.00 C ATOM 601 O VAL A 47 2.715 -8.572 3.812 1.00 0.00 O ATOM 602 CB VAL A 47 3.916 -7.827 0.825 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.411 -6.431 0.487 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.268 -8.803 -0.291 1.00 0.00 C ATOM 0 H VAL A 47 3.757 -10.233 2.563 1.00 0.00 H new ATOM 0 HA VAL A 47 5.462 -7.904 2.326 1.00 0.00 H new ATOM 0 HB VAL A 47 2.830 -7.783 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.005 -6.124 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.084 -5.733 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.500 -6.433 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.870 -8.434 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.352 -8.896 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.834 -9.779 -0.071 1.00 0.00 H new ATOM 614 N TYR A 48 3.691 -6.552 3.668 1.00 0.00 N ATOM 615 CA TYR A 48 2.873 -5.960 4.721 1.00 0.00 C ATOM 616 C TYR A 48 2.206 -4.675 4.236 1.00 0.00 C ATOM 617 O TYR A 48 2.863 -3.646 4.080 1.00 0.00 O ATOM 618 CB TYR A 48 3.726 -5.667 5.956 1.00 0.00 C ATOM 619 CG TYR A 48 4.647 -6.802 6.346 1.00 0.00 C ATOM 620 CD1 TYR A 48 4.175 -8.105 6.441 1.00 0.00 C ATOM 621 CD2 TYR A 48 5.989 -6.568 6.621 1.00 0.00 C ATOM 622 CE1 TYR A 48 5.014 -9.143 6.798 1.00 0.00 C ATOM 623 CE2 TYR A 48 6.833 -7.601 6.979 1.00 0.00 C ATOM 624 CZ TYR A 48 6.342 -8.886 7.066 1.00 0.00 C ATOM 625 OH TYR A 48 7.181 -9.917 7.423 1.00 0.00 O ATOM 0 H TYR A 48 4.371 -5.914 3.254 1.00 0.00 H new ATOM 0 HA TYR A 48 2.095 -6.676 4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.323 -4.774 5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.068 -5.441 6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.135 -8.310 6.232 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.378 -5.563 6.554 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.632 -10.151 6.867 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.873 -7.403 7.190 1.00 0.00 H new ATOM 0 HH TYR A 48 8.083 -9.566 7.576 1.00 0.00 H new ATOM 635 N VAL A 49 0.898 -4.741 4.005 1.00 0.00 N ATOM 636 CA VAL A 49 0.146 -3.579 3.544 1.00 0.00 C ATOM 637 C VAL A 49 -0.177 -2.646 4.707 1.00 0.00 C ATOM 638 O VAL A 49 -0.947 -2.995 5.601 1.00 0.00 O ATOM 639 CB VAL A 49 -1.167 -3.995 2.851 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.869 -2.781 2.260 1.00 0.00 C ATOM 641 CG2 VAL A 49 -0.897 -5.038 1.777 1.00 0.00 C ATOM 0 H VAL A 49 0.338 -5.585 4.129 1.00 0.00 H new ATOM 0 HA VAL A 49 0.775 -3.057 2.822 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.825 -4.438 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.793 -3.095 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.099 -2.071 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.218 -2.306 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.835 -5.319 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.219 -4.624 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.443 -5.919 2.231 1.00 0.00 H new ATOM 651 N PHE A 50 0.421 -1.460 4.688 1.00 0.00 N ATOM 652 CA PHE A 50 0.203 -0.478 5.743 1.00 0.00 C ATOM 653 C PHE A 50 -1.028 0.376 5.453 1.00 0.00 C ATOM 654 O PHE A 50 -1.748 0.773 6.370 1.00 0.00 O ATOM 655 CB PHE A 50 1.435 0.416 5.898 1.00 0.00 C ATOM 656 CG PHE A 50 2.272 0.079 7.099 1.00 0.00 C ATOM 657 CD1 PHE A 50 2.019 0.673 8.325 1.00 0.00 C ATOM 658 CD2 PHE A 50 3.311 -0.832 7.001 1.00 0.00 C ATOM 659 CE1 PHE A 50 2.787 0.364 9.431 1.00 0.00 C ATOM 660 CE2 PHE A 50 4.082 -1.145 8.103 1.00 0.00 C ATOM 661 CZ PHE A 50 3.820 -0.547 9.321 1.00 0.00 C ATOM 0 H PHE A 50 1.060 -1.156 3.954 1.00 0.00 H new ATOM 0 HA PHE A 50 0.033 -1.017 6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.050 0.333 5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.114 1.455 5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.213 1.385 8.417 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.520 -1.303 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.580 0.834 10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.889 -1.857 8.013 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.421 -0.791 10.184 1.00 0.00 H new ATOM 671 N SER A 51 -1.266 0.656 4.176 1.00 0.00 N ATOM 672 CA SER A 51 -2.412 1.465 3.777 1.00 0.00 C ATOM 673 C SER A 51 -3.017 0.955 2.473 1.00 0.00 C ATOM 674 O SER A 51 -2.343 0.301 1.678 1.00 0.00 O ATOM 675 CB SER A 51 -1.998 2.929 3.620 1.00 0.00 C ATOM 676 OG SER A 51 -1.066 3.306 4.617 1.00 0.00 O ATOM 0 H SER A 51 -0.683 0.336 3.402 1.00 0.00 H new ATOM 0 HA SER A 51 -3.167 1.387 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.561 3.083 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.879 3.568 3.682 1.00 0.00 H new ATOM 0 HG SER A 51 -0.817 4.246 4.493 1.00 0.00 H new ATOM 682 N LYS A 52 -4.293 1.260 2.264 1.00 0.00 N ATOM 683 CA LYS A 52 -4.994 0.838 1.057 1.00 0.00 C ATOM 684 C LYS A 52 -5.862 1.968 0.514 1.00 0.00 C ATOM 685 O LYS A 52 -7.068 2.013 0.762 1.00 0.00 O ATOM 686 CB LYS A 52 -5.857 -0.391 1.347 1.00 0.00 C ATOM 687 CG LYS A 52 -6.659 -0.281 2.634 1.00 0.00 C ATOM 688 CD LYS A 52 -7.692 -1.391 2.743 1.00 0.00 C ATOM 689 CE LYS A 52 -9.024 -0.973 2.143 1.00 0.00 C ATOM 690 NZ LYS A 52 -9.002 -1.019 0.655 1.00 0.00 N ATOM 0 H LYS A 52 -4.864 1.799 2.916 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.250 0.579 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.542 -0.548 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.215 -1.270 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.985 -0.325 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.158 0.687 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.326 -2.282 2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.831 -1.658 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.811 -1.629 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.269 0.037 2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.968 -1.166 0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.629 -0.121 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.394 -1.802 0.341 1.00 0.00 H new ATOM 704 N LEU A 53 -5.242 2.880 -0.227 1.00 0.00 N ATOM 705 CA LEU A 53 -5.958 4.011 -0.805 1.00 0.00 C ATOM 706 C LEU A 53 -7.059 3.536 -1.746 1.00 0.00 C ATOM 707 O LEU A 53 -6.857 2.616 -2.540 1.00 0.00 O ATOM 708 CB LEU A 53 -4.987 4.924 -1.557 1.00 0.00 C ATOM 709 CG LEU A 53 -5.574 6.262 -2.014 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.505 7.344 -2.008 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.191 6.127 -3.398 1.00 0.00 C ATOM 0 H LEU A 53 -4.245 2.858 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.419 4.571 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.128 5.122 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.615 4.391 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.358 6.552 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.941 8.288 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.109 7.458 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.698 7.062 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.604 7.087 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.426 5.815 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.986 5.382 -3.371 1.00 0.00 H new ATOM 723 N LYS A 54 -8.225 4.168 -1.654 1.00 0.00 N ATOM 724 CA LYS A 54 -9.357 3.809 -2.501 1.00 0.00 C ATOM 725 C LYS A 54 -9.974 5.050 -3.142 1.00 0.00 C ATOM 726 O LYS A 54 -9.348 6.108 -3.190 1.00 0.00 O ATOM 727 CB LYS A 54 -10.407 3.046 -1.686 1.00 0.00 C ATOM 728 CG LYS A 54 -11.159 3.913 -0.690 1.00 0.00 C ATOM 729 CD LYS A 54 -11.947 3.070 0.299 1.00 0.00 C ATOM 730 CE LYS A 54 -13.238 2.551 -0.314 1.00 0.00 C ATOM 731 NZ LYS A 54 -13.831 1.446 0.488 1.00 0.00 N ATOM 0 H LYS A 54 -8.411 4.930 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.996 3.162 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.123 2.590 -2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.917 2.234 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.453 4.544 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.837 4.578 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.337 2.230 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.176 3.664 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.956 3.367 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.043 2.199 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.709 1.121 0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.157 0.656 0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.042 1.788 1.447 1.00 0.00 H new ATOM 745 N GLY A 55 -11.198 4.911 -3.643 1.00 0.00 N ATOM 746 CA GLY A 55 -11.866 6.029 -4.283 1.00 0.00 C ATOM 747 C GLY A 55 -11.400 6.226 -5.711 1.00 0.00 C ATOM 748 O GLY A 55 -12.197 6.161 -6.647 1.00 0.00 O ATOM 0 H GLY A 55 -11.738 4.046 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.943 5.862 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.679 6.938 -3.712 1.00 0.00 H new ATOM 752 N ARG A 56 -10.103 6.459 -5.877 1.00 0.00 N ATOM 753 CA ARG A 56 -9.522 6.658 -7.199 1.00 0.00 C ATOM 754 C ARG A 56 -8.533 5.540 -7.538 1.00 0.00 C ATOM 755 O ARG A 56 -8.014 5.480 -8.651 1.00 0.00 O ATOM 756 CB ARG A 56 -8.823 8.018 -7.271 1.00 0.00 C ATOM 757 CG ARG A 56 -9.236 8.852 -8.475 1.00 0.00 C ATOM 758 CD ARG A 56 -8.187 8.805 -9.574 1.00 0.00 C ATOM 759 NE ARG A 56 -8.780 8.920 -10.904 1.00 0.00 N ATOM 760 CZ ARG A 56 -9.514 7.967 -11.473 1.00 0.00 C ATOM 761 NH1 ARG A 56 -9.748 6.828 -10.832 1.00 0.00 N ATOM 762 NH2 ARG A 56 -10.016 8.152 -12.687 1.00 0.00 N ATOM 0 H ARG A 56 -9.433 6.515 -5.110 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.329 6.633 -7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.040 8.577 -6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.745 7.862 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.187 8.486 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.394 9.885 -8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.471 9.613 -9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.631 7.870 -9.505 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.622 9.781 -11.427 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.364 6.680 -9.899 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.311 6.101 -11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.839 9.025 -13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.579 7.421 -13.123 1.00 0.00 H new ATOM 776 N GLY A 57 -8.275 4.658 -6.571 1.00 0.00 N ATOM 777 CA GLY A 57 -7.350 3.562 -6.799 1.00 0.00 C ATOM 778 C GLY A 57 -7.370 2.536 -5.680 1.00 0.00 C ATOM 779 O GLY A 57 -6.382 2.367 -4.967 1.00 0.00 O ATOM 0 H GLY A 57 -8.689 4.684 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.599 3.072 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.341 3.960 -6.904 1.00 0.00 H new ATOM 783 N ARG A 58 -8.499 1.850 -5.526 1.00 0.00 N ATOM 784 CA ARG A 58 -8.647 0.836 -4.490 1.00 0.00 C ATOM 785 C ARG A 58 -7.509 -0.181 -4.536 1.00 0.00 C ATOM 786 O ARG A 58 -6.899 -0.488 -3.514 1.00 0.00 O ATOM 787 CB ARG A 58 -9.990 0.119 -4.645 1.00 0.00 C ATOM 788 CG ARG A 58 -10.534 -0.443 -3.343 1.00 0.00 C ATOM 789 CD ARG A 58 -11.683 -1.407 -3.591 1.00 0.00 C ATOM 790 NE ARG A 58 -11.228 -2.793 -3.677 1.00 0.00 N ATOM 791 CZ ARG A 58 -11.935 -3.773 -4.235 1.00 0.00 C ATOM 792 NH1 ARG A 58 -13.130 -3.525 -4.756 1.00 0.00 N ATOM 793 NH2 ARG A 58 -11.446 -5.004 -4.272 1.00 0.00 N ATOM 0 H ARG A 58 -9.326 1.980 -6.108 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.612 1.339 -3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.718 0.815 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.878 -0.694 -5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.737 -0.956 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.874 0.374 -2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.413 -1.315 -2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.191 -1.135 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.314 -3.023 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.511 -2.579 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.667 -4.280 -5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.528 -5.200 -3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.988 -5.755 -4.700 1.00 0.00 H new ATOM 807 N LEU A 59 -7.237 -0.706 -5.725 1.00 0.00 N ATOM 808 CA LEU A 59 -6.184 -1.696 -5.906 1.00 0.00 C ATOM 809 C LEU A 59 -4.824 -1.162 -5.465 1.00 0.00 C ATOM 810 O LEU A 59 -3.935 -1.929 -5.100 1.00 0.00 O ATOM 811 CB LEU A 59 -6.119 -2.137 -7.370 1.00 0.00 C ATOM 812 CG LEU A 59 -6.063 -0.997 -8.390 1.00 0.00 C ATOM 813 CD1 LEU A 59 -4.628 -0.738 -8.825 1.00 0.00 C ATOM 814 CD2 LEU A 59 -6.937 -1.315 -9.594 1.00 0.00 C ATOM 0 H LEU A 59 -7.734 -0.461 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.427 -2.553 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.240 -2.768 -7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.991 -2.755 -7.586 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.446 -0.093 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.609 0.076 -9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.028 -0.465 -7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.217 -1.639 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.885 -0.494 -10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.584 -2.231 -10.068 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.969 -1.449 -9.269 1.00 0.00 H new ATOM 826 N PHE A 60 -4.668 0.154 -5.504 1.00 0.00 N ATOM 827 CA PHE A 60 -3.414 0.789 -5.114 1.00 0.00 C ATOM 828 C PHE A 60 -3.163 0.622 -3.621 1.00 0.00 C ATOM 829 O PHE A 60 -3.315 1.561 -2.840 1.00 0.00 O ATOM 830 CB PHE A 60 -3.424 2.273 -5.495 1.00 0.00 C ATOM 831 CG PHE A 60 -2.407 2.632 -6.541 1.00 0.00 C ATOM 832 CD1 PHE A 60 -2.152 1.776 -7.602 1.00 0.00 C ATOM 833 CD2 PHE A 60 -1.706 3.825 -6.464 1.00 0.00 C ATOM 834 CE1 PHE A 60 -1.217 2.104 -8.566 1.00 0.00 C ATOM 835 CE2 PHE A 60 -0.770 4.158 -7.425 1.00 0.00 C ATOM 836 CZ PHE A 60 -0.525 3.297 -8.477 1.00 0.00 C ATOM 0 H PHE A 60 -5.395 0.805 -5.802 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.602 0.299 -5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.416 2.540 -5.858 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.241 2.870 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.690 0.842 -7.676 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.893 4.502 -5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.028 1.429 -9.387 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.231 5.091 -7.353 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.206 3.556 -9.229 1.00 0.00 H new ATOM 846 N TRP A 61 -2.780 -0.587 -3.238 1.00 0.00 N ATOM 847 CA TRP A 61 -2.502 -0.900 -1.840 1.00 0.00 C ATOM 848 C TRP A 61 -1.068 -0.537 -1.471 1.00 0.00 C ATOM 849 O TRP A 61 -0.117 -1.047 -2.062 1.00 0.00 O ATOM 850 CB TRP A 61 -2.745 -2.386 -1.568 1.00 0.00 C ATOM 851 CG TRP A 61 -4.169 -2.700 -1.230 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.276 -2.021 -1.648 1.00 0.00 C ATOM 853 CD2 TRP A 61 -4.642 -3.769 -0.403 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.407 -2.599 -1.135 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.047 -3.675 -0.366 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.016 -4.796 0.309 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -6.833 -4.570 0.356 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -4.797 -5.682 1.024 1.00 0.00 C ATOM 859 CH2 TRP A 61 -6.193 -5.565 1.042 1.00 0.00 C ATOM 0 H TRP A 61 -2.654 -1.372 -3.877 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.178 -0.307 -1.224 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.452 -2.962 -2.446 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.104 -2.708 -0.747 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.263 -1.153 -2.291 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.362 -2.280 -1.299 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -2.941 -4.895 0.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -7.909 -4.481 0.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.324 -6.479 1.579 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -6.776 -6.275 1.609 1.00 0.00 H new ATOM 870 N GLY A 62 -0.920 0.343 -0.485 1.00 0.00 N ATOM 871 CA GLY A 62 0.401 0.756 -0.051 1.00 0.00 C ATOM 872 C GLY A 62 0.972 -0.157 1.015 1.00 0.00 C ATOM 873 O GLY A 62 0.436 -0.243 2.120 1.00 0.00 O ATOM 0 H GLY A 62 -1.692 0.777 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.073 0.773 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.352 1.774 0.335 1.00 0.00 H new ATOM 877 N GLY A 63 2.062 -0.842 0.685 1.00 0.00 N ATOM 878 CA GLY A 63 2.685 -1.745 1.633 1.00 0.00 C ATOM 879 C GLY A 63 4.175 -1.898 1.397 1.00 0.00 C ATOM 880 O GLY A 63 4.802 -1.044 0.771 1.00 0.00 O ATOM 0 H GLY A 63 2.525 -0.787 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.517 -1.377 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.208 -2.723 1.566 1.00 0.00 H new ATOM 884 N SER A 64 4.740 -2.994 1.891 1.00 0.00 N ATOM 885 CA SER A 64 6.163 -3.264 1.723 1.00 0.00 C ATOM 886 C SER A 64 6.437 -4.746 1.867 1.00 0.00 C ATOM 887 O SER A 64 5.726 -5.452 2.578 1.00 0.00 O ATOM 888 CB SER A 64 6.997 -2.486 2.737 1.00 0.00 C ATOM 889 OG SER A 64 8.365 -2.844 2.651 1.00 0.00 O ATOM 0 H SER A 64 4.234 -3.710 2.411 1.00 0.00 H new ATOM 0 HA SER A 64 6.447 -2.939 0.722 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.886 -1.416 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.629 -2.683 3.744 1.00 0.00 H new ATOM 0 HG SER A 64 8.879 -2.331 3.309 1.00 0.00 H new ATOM 895 N VAL A 65 7.472 -5.214 1.197 1.00 0.00 N ATOM 896 CA VAL A 65 7.832 -6.602 1.247 1.00 0.00 C ATOM 897 C VAL A 65 8.487 -6.943 2.565 1.00 0.00 C ATOM 898 O VAL A 65 9.192 -6.133 3.167 1.00 0.00 O ATOM 899 CB VAL A 65 8.775 -7.017 0.102 1.00 0.00 C ATOM 900 CG1 VAL A 65 8.034 -7.856 -0.929 1.00 0.00 C ATOM 901 CG2 VAL A 65 9.441 -5.815 -0.559 1.00 0.00 C ATOM 0 H VAL A 65 8.078 -4.641 0.609 1.00 0.00 H new ATOM 0 HA VAL A 65 6.900 -7.156 1.137 1.00 0.00 H new ATOM 0 HB VAL A 65 9.567 -7.623 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.719 -8.138 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.642 -8.755 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.210 -7.277 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.096 -6.157 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.676 -5.157 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.027 -5.271 0.182 1.00 0.00 H new ATOM 911 N GLN A 66 8.237 -8.155 2.990 1.00 0.00 N ATOM 912 CA GLN A 66 8.782 -8.670 4.241 1.00 0.00 C ATOM 913 C GLN A 66 10.297 -8.492 4.293 1.00 0.00 C ATOM 914 O GLN A 66 10.948 -8.317 3.262 1.00 0.00 O ATOM 915 CB GLN A 66 8.432 -10.149 4.399 1.00 0.00 C ATOM 916 CG GLN A 66 9.050 -11.032 3.327 1.00 0.00 C ATOM 917 CD GLN A 66 9.659 -12.300 3.894 1.00 0.00 C ATOM 918 OE1 GLN A 66 9.023 -13.014 4.669 1.00 0.00 O ATOM 919 NE2 GLN A 66 10.898 -12.584 3.510 1.00 0.00 N ATOM 0 H GLN A 66 7.651 -8.820 2.486 1.00 0.00 H new ATOM 0 HA GLN A 66 8.339 -8.104 5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.766 -10.491 5.379 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.348 -10.263 4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.287 -11.296 2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.819 -10.470 2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.387 -11.963 2.866 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.361 -13.423 3.859 1.00 0.00 H new ATOM 928 N GLY A 67 10.853 -8.538 5.499 1.00 0.00 N ATOM 929 CA GLY A 67 12.286 -8.381 5.662 1.00 0.00 C ATOM 930 C GLY A 67 13.027 -9.700 5.580 1.00 0.00 C ATOM 931 O GLY A 67 12.432 -10.738 5.290 1.00 0.00 O ATOM 0 H GLY A 67 10.336 -8.681 6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.664 -7.707 4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.490 -7.913 6.625 1.00 0.00 H new ATOM 935 N ASP A 68 14.331 -9.661 5.838 1.00 0.00 N ATOM 936 CA ASP A 68 15.155 -10.863 5.792 1.00 0.00 C ATOM 937 C ASP A 68 16.304 -10.773 6.792 1.00 0.00 C ATOM 938 O ASP A 68 16.363 -11.536 7.756 1.00 0.00 O ATOM 939 CB ASP A 68 15.708 -11.076 4.381 1.00 0.00 C ATOM 940 CG ASP A 68 16.306 -12.457 4.197 1.00 0.00 C ATOM 941 OD1 ASP A 68 15.536 -13.407 3.937 1.00 0.00 O ATOM 942 OD2 ASP A 68 17.542 -12.589 4.314 1.00 0.00 O ATOM 0 H ASP A 68 14.839 -8.810 6.081 1.00 0.00 H new ATOM 0 HA ASP A 68 14.528 -11.713 6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.909 -10.929 3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.469 -10.323 4.174 1.00 0.00 H new ATOM 947 N TYR A 69 17.216 -9.835 6.555 1.00 0.00 N ATOM 948 CA TYR A 69 18.363 -9.644 7.433 1.00 0.00 C ATOM 949 C TYR A 69 19.110 -8.361 7.083 1.00 0.00 C ATOM 950 O TYR A 69 18.670 -7.587 6.233 1.00 0.00 O ATOM 951 CB TYR A 69 19.308 -10.845 7.340 1.00 0.00 C ATOM 952 CG TYR A 69 19.332 -11.695 8.591 1.00 0.00 C ATOM 953 CD1 TYR A 69 19.993 -11.263 9.734 1.00 0.00 C ATOM 954 CD2 TYR A 69 18.695 -12.929 8.627 1.00 0.00 C ATOM 955 CE1 TYR A 69 20.018 -12.037 10.879 1.00 0.00 C ATOM 956 CE2 TYR A 69 18.715 -13.708 9.768 1.00 0.00 C ATOM 957 CZ TYR A 69 19.377 -13.258 10.891 1.00 0.00 C ATOM 958 OH TYR A 69 19.399 -14.031 12.028 1.00 0.00 O ATOM 0 H TYR A 69 17.182 -9.195 5.761 1.00 0.00 H new ATOM 0 HA TYR A 69 17.997 -9.559 8.456 1.00 0.00 H new ATOM 0 HB2 TYR A 69 19.011 -11.466 6.495 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.317 -10.488 7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.495 -10.307 9.728 1.00 0.00 H new ATOM 0 HD2 TYR A 69 18.176 -13.285 7.749 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.537 -11.687 11.759 1.00 0.00 H new ATOM 0 HE2 TYR A 69 18.214 -14.665 9.780 1.00 0.00 H new ATOM 0 HH TYR A 69 18.900 -14.859 11.870 1.00 0.00 H new ATOM 968 N TYR A 70 20.243 -8.143 7.743 1.00 0.00 N ATOM 969 CA TYR A 70 21.052 -6.954 7.500 1.00 0.00 C ATOM 970 C TYR A 70 20.264 -5.687 7.814 1.00 0.00 C ATOM 971 O TYR A 70 19.732 -5.035 6.915 1.00 0.00 O ATOM 972 CB TYR A 70 21.531 -6.926 6.047 1.00 0.00 C ATOM 973 CG TYR A 70 22.925 -7.481 5.858 1.00 0.00 C ATOM 974 CD1 TYR A 70 23.211 -8.808 6.152 1.00 0.00 C ATOM 975 CD2 TYR A 70 23.955 -6.677 5.387 1.00 0.00 C ATOM 976 CE1 TYR A 70 24.483 -9.319 5.981 1.00 0.00 C ATOM 977 CE2 TYR A 70 25.231 -7.180 5.213 1.00 0.00 C ATOM 978 CZ TYR A 70 25.489 -8.501 5.511 1.00 0.00 C ATOM 979 OH TYR A 70 26.757 -9.006 5.339 1.00 0.00 O ATOM 0 H TYR A 70 20.621 -8.774 8.450 1.00 0.00 H new ATOM 0 HA TYR A 70 21.919 -6.993 8.160 1.00 0.00 H new ATOM 0 HB2 TYR A 70 20.835 -7.498 5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 70 21.506 -5.898 5.685 1.00 0.00 H new ATOM 0 HD1 TYR A 70 22.426 -9.451 6.521 1.00 0.00 H new ATOM 0 HD2 TYR A 70 23.756 -5.642 5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 70 24.689 -10.353 6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 70 26.021 -6.542 4.846 1.00 0.00 H new ATOM 0 HH TYR A 70 27.347 -8.301 5.000 1.00 0.00 H new ATOM 989 N GLY A 71 20.196 -5.340 9.096 1.00 0.00 N ATOM 990 CA GLY A 71 19.472 -4.151 9.505 1.00 0.00 C ATOM 991 C GLY A 71 20.290 -2.887 9.327 1.00 0.00 C ATOM 992 O GLY A 71 21.282 -2.678 10.025 1.00 0.00 O ATOM 0 H GLY A 71 20.629 -5.861 9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.553 -4.071 8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 71 19.181 -4.248 10.551 1.00 0.00 H new ATOM 996 N ASP A 72 19.872 -2.042 8.390 1.00 0.00 N ATOM 997 CA ASP A 72 20.569 -0.790 8.122 1.00 0.00 C ATOM 998 C ASP A 72 19.857 0.001 7.032 1.00 0.00 C ATOM 999 O ASP A 72 20.432 0.297 5.983 1.00 0.00 O ATOM 1000 CB ASP A 72 22.019 -1.062 7.713 1.00 0.00 C ATOM 1001 CG ASP A 72 22.944 0.086 8.065 1.00 0.00 C ATOM 1002 OD1 ASP A 72 23.238 0.265 9.265 1.00 0.00 O ATOM 1003 OD2 ASP A 72 23.374 0.806 7.140 1.00 0.00 O ATOM 0 H ASP A 72 19.053 -2.202 7.803 1.00 0.00 H new ATOM 0 HA ASP A 72 20.567 -0.198 9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 72 22.368 -1.970 8.205 1.00 0.00 H new ATOM 0 HB3 ASP A 72 22.063 -1.244 6.639 1.00 0.00 H new ATOM 1008 N LEU A 73 18.602 0.346 7.295 1.00 0.00 N ATOM 1009 CA LEU A 73 17.798 1.110 6.349 1.00 0.00 C ATOM 1010 C LEU A 73 17.711 0.406 4.997 1.00 0.00 C ATOM 1011 O LEU A 73 18.699 0.313 4.268 1.00 0.00 O ATOM 1012 CB LEU A 73 18.385 2.507 6.179 1.00 0.00 C ATOM 1013 CG LEU A 73 17.393 3.578 5.723 1.00 0.00 C ATOM 1014 CD1 LEU A 73 17.888 4.963 6.110 1.00 0.00 C ATOM 1015 CD2 LEU A 73 17.168 3.490 4.222 1.00 0.00 C ATOM 0 H LEU A 73 18.117 0.107 8.160 1.00 0.00 H new ATOM 0 HA LEU A 73 16.787 1.189 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.821 2.819 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.199 2.456 5.456 1.00 0.00 H new ATOM 0 HG LEU A 73 16.441 3.402 6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.170 5.712 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.998 5.021 7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.852 5.150 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.460 4.259 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.115 3.640 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.768 2.507 3.971 1.00 0.00 H new ATOM 1027 N ALA A 74 16.520 -0.082 4.666 1.00 0.00 N ATOM 1028 CA ALA A 74 16.297 -0.772 3.404 1.00 0.00 C ATOM 1029 C ALA A 74 14.859 -1.267 3.297 1.00 0.00 C ATOM 1030 O ALA A 74 14.590 -2.463 3.416 1.00 0.00 O ATOM 1031 CB ALA A 74 17.270 -1.933 3.250 1.00 0.00 C ATOM 0 H ALA A 74 15.692 -0.011 5.258 1.00 0.00 H new ATOM 0 HA ALA A 74 16.472 -0.061 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 74 17.088 -2.437 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 74 18.293 -1.556 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 74 17.127 -2.639 4.068 1.00 0.00 H new ATOM 1037 N ALA A 75 13.935 -0.338 3.070 1.00 0.00 N ATOM 1038 CA ALA A 75 12.523 -0.678 2.946 1.00 0.00 C ATOM 1039 C ALA A 75 11.731 0.482 2.352 1.00 0.00 C ATOM 1040 O ALA A 75 11.533 1.509 3.001 1.00 0.00 O ATOM 1041 CB ALA A 75 11.954 -1.068 4.302 1.00 0.00 C ATOM 0 H ALA A 75 14.140 0.656 2.968 1.00 0.00 H new ATOM 0 HA ALA A 75 12.436 -1.528 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.899 -1.319 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.495 -1.931 4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.060 -0.233 4.995 1.00 0.00 H new ATOM 1047 N ARG A 76 11.280 0.310 1.113 1.00 0.00 N ATOM 1048 CA ARG A 76 10.510 1.343 0.431 1.00 0.00 C ATOM 1049 C ARG A 76 9.047 0.934 0.298 1.00 0.00 C ATOM 1050 O ARG A 76 8.724 -0.045 -0.376 1.00 0.00 O ATOM 1051 CB ARG A 76 11.103 1.621 -0.953 1.00 0.00 C ATOM 1052 CG ARG A 76 12.032 2.823 -0.986 1.00 0.00 C ATOM 1053 CD ARG A 76 11.896 3.601 -2.287 1.00 0.00 C ATOM 1054 NE ARG A 76 11.157 4.847 -2.105 1.00 0.00 N ATOM 1055 CZ ARG A 76 11.692 5.960 -1.605 1.00 0.00 C ATOM 1056 NH1 ARG A 76 12.967 5.985 -1.237 1.00 0.00 N ATOM 1057 NH2 ARG A 76 10.948 7.051 -1.473 1.00 0.00 N ATOM 0 H ARG A 76 11.435 -0.534 0.562 1.00 0.00 H new ATOM 0 HA ARG A 76 10.560 2.253 1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.650 0.740 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.291 1.781 -1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.809 3.479 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.063 2.490 -0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.887 3.822 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.388 2.983 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 76 10.174 4.866 -2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.543 5.149 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.371 6.840 -0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.968 7.037 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.357 7.904 -1.090 1.00 0.00 H new ATOM 1071 N LEU A 77 8.165 1.689 0.944 1.00 0.00 N ATOM 1072 CA LEU A 77 6.735 1.407 0.897 1.00 0.00 C ATOM 1073 C LEU A 77 6.128 1.893 -0.414 1.00 0.00 C ATOM 1074 O LEU A 77 6.150 3.087 -0.714 1.00 0.00 O ATOM 1075 CB LEU A 77 6.025 2.067 2.083 1.00 0.00 C ATOM 1076 CG LEU A 77 5.323 1.098 3.040 1.00 0.00 C ATOM 1077 CD1 LEU A 77 5.714 1.387 4.480 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.813 1.178 2.870 1.00 0.00 C ATOM 0 H LEU A 77 8.416 2.502 1.507 1.00 0.00 H new ATOM 0 HA LEU A 77 6.599 0.327 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.756 2.646 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.288 2.772 1.699 1.00 0.00 H new ATOM 0 HG LEU A 77 5.643 0.085 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.204 0.688 5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.792 1.275 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.426 2.406 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.332 0.483 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.476 2.192 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.548 0.917 1.846 1.00 0.00 H new ATOM 1090 N GLY A 78 5.590 0.961 -1.194 1.00 0.00 N ATOM 1091 CA GLY A 78 4.987 1.317 -2.466 1.00 0.00 C ATOM 1092 C GLY A 78 3.520 0.943 -2.542 1.00 0.00 C ATOM 1093 O GLY A 78 3.036 0.139 -1.745 1.00 0.00 O ATOM 0 H GLY A 78 5.561 -0.033 -0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.093 2.390 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.527 0.819 -3.272 1.00 0.00 H new ATOM 1097 N TYR A 79 2.813 1.527 -3.503 1.00 0.00 N ATOM 1098 CA TYR A 79 1.391 1.253 -3.685 1.00 0.00 C ATOM 1099 C TYR A 79 1.141 0.559 -5.019 1.00 0.00 C ATOM 1100 O TYR A 79 1.513 1.073 -6.074 1.00 0.00 O ATOM 1101 CB TYR A 79 0.587 2.552 -3.615 1.00 0.00 C ATOM 1102 CG TYR A 79 0.581 3.191 -2.244 1.00 0.00 C ATOM 1103 CD1 TYR A 79 1.765 3.597 -1.642 1.00 0.00 C ATOM 1104 CD2 TYR A 79 -0.608 3.389 -1.553 1.00 0.00 C ATOM 1105 CE1 TYR A 79 1.765 4.182 -0.389 1.00 0.00 C ATOM 1106 CE2 TYR A 79 -0.616 3.973 -0.301 1.00 0.00 C ATOM 1107 CZ TYR A 79 0.571 4.368 0.277 1.00 0.00 C ATOM 1108 OH TYR A 79 0.567 4.949 1.524 1.00 0.00 O ATOM 0 H TYR A 79 3.201 2.194 -4.169 1.00 0.00 H new ATOM 0 HA TYR A 79 1.067 0.590 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.996 3.261 -4.335 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.441 2.349 -3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.701 3.453 -2.161 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.541 3.081 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.694 4.492 0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.549 4.119 0.223 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.354 5.008 1.854 1.00 0.00 H new ATOM 1118 N PHE A 80 0.512 -0.613 -4.969 1.00 0.00 N ATOM 1119 CA PHE A 80 0.223 -1.370 -6.179 1.00 0.00 C ATOM 1120 C PHE A 80 -0.906 -2.372 -5.949 1.00 0.00 C ATOM 1121 O PHE A 80 -1.251 -2.683 -4.809 1.00 0.00 O ATOM 1122 CB PHE A 80 1.481 -2.100 -6.653 1.00 0.00 C ATOM 1123 CG PHE A 80 2.205 -2.822 -5.552 1.00 0.00 C ATOM 1124 CD1 PHE A 80 2.995 -2.126 -4.651 1.00 0.00 C ATOM 1125 CD2 PHE A 80 2.094 -4.197 -5.418 1.00 0.00 C ATOM 1126 CE1 PHE A 80 3.661 -2.787 -3.638 1.00 0.00 C ATOM 1127 CE2 PHE A 80 2.756 -4.864 -4.405 1.00 0.00 C ATOM 1128 CZ PHE A 80 3.542 -4.158 -3.515 1.00 0.00 C ATOM 0 H PHE A 80 0.195 -1.055 -4.106 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.099 -0.668 -6.948 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.206 -2.816 -7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.159 -1.380 -7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.091 -1.054 -4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.483 -4.754 -6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.274 -2.233 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.659 -5.935 -4.309 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.063 -4.677 -2.724 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.498 -2.892 -7.039 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.593 -3.865 -6.961 1.00 0.00 C ATOM 1140 C PRO A 81 -2.273 -5.024 -6.023 1.00 0.00 C ATOM 1141 O PRO A 81 -1.178 -5.587 -6.068 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.725 -4.365 -8.400 1.00 0.00 C ATOM 1143 CG PRO A 81 -2.225 -3.241 -9.238 1.00 0.00 C ATOM 1144 CD PRO A 81 -1.144 -2.570 -8.435 1.00 0.00 C ATOM 0 HA PRO A 81 -3.505 -3.421 -6.563 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.139 -5.270 -8.560 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.760 -4.609 -8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.835 -3.607 -10.188 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.028 -2.542 -9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.156 -2.950 -8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.127 -1.494 -8.606 1.00 0.00 H new ATOM 1152 N SER A 82 -3.234 -5.375 -5.177 1.00 0.00 N ATOM 1153 CA SER A 82 -3.056 -6.468 -4.227 1.00 0.00 C ATOM 1154 C SER A 82 -3.325 -7.818 -4.886 1.00 0.00 C ATOM 1155 O SER A 82 -2.852 -8.854 -4.415 1.00 0.00 O ATOM 1156 CB SER A 82 -3.983 -6.281 -3.025 1.00 0.00 C ATOM 1157 OG SER A 82 -3.397 -6.799 -1.843 1.00 0.00 O ATOM 0 H SER A 82 -4.145 -4.919 -5.129 1.00 0.00 H new ATOM 0 HA SER A 82 -2.021 -6.453 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.202 -5.221 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.933 -6.781 -3.213 1.00 0.00 H new ATOM 0 HG SER A 82 -3.845 -6.415 -1.060 1.00 0.00 H new ATOM 1163 N SER A 83 -4.091 -7.804 -5.975 1.00 0.00 N ATOM 1164 CA SER A 83 -4.427 -9.027 -6.696 1.00 0.00 C ATOM 1165 C SER A 83 -3.186 -9.877 -6.958 1.00 0.00 C ATOM 1166 O SER A 83 -3.264 -11.105 -7.013 1.00 0.00 O ATOM 1167 CB SER A 83 -5.113 -8.687 -8.021 1.00 0.00 C ATOM 1168 OG SER A 83 -6.341 -8.015 -7.802 1.00 0.00 O ATOM 0 H SER A 83 -4.491 -6.956 -6.377 1.00 0.00 H new ATOM 0 HA SER A 83 -5.109 -9.605 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.455 -8.062 -8.625 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.291 -9.601 -8.587 1.00 0.00 H new ATOM 0 HG SER A 83 -6.759 -7.807 -8.664 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.044 -9.218 -7.119 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.789 -9.914 -7.375 1.00 0.00 C ATOM 1176 C ILE A 84 -0.324 -10.687 -6.144 1.00 0.00 C ATOM 1177 O ILE A 84 0.365 -11.699 -6.259 1.00 0.00 O ATOM 1178 CB ILE A 84 0.321 -8.933 -7.805 1.00 0.00 C ATOM 1179 CG1 ILE A 84 1.589 -9.696 -8.190 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.611 -7.937 -6.692 1.00 0.00 C ATOM 1181 CD1 ILE A 84 1.477 -10.435 -9.505 1.00 0.00 C ATOM 0 H ILE A 84 -1.962 -8.202 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.978 -10.615 -8.188 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.025 -8.380 -8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.421 -8.995 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.827 -10.410 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.396 -7.252 -7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.293 -7.372 -6.465 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.937 -8.472 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.414 -10.953 -9.712 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.666 -11.161 -9.446 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.270 -9.724 -10.305 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.704 -10.201 -4.967 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.327 -10.845 -3.714 1.00 0.00 C ATOM 1195 C VAL A 85 -1.509 -11.593 -3.104 1.00 0.00 C ATOM 1196 O VAL A 85 -2.596 -11.632 -3.681 1.00 0.00 O ATOM 1197 CB VAL A 85 0.197 -9.817 -2.693 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.483 -9.175 -3.190 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.859 -8.759 -2.410 1.00 0.00 C ATOM 0 H VAL A 85 -1.273 -9.362 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 85 0.467 -11.554 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 85 0.416 -10.339 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.837 -8.452 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.241 -9.945 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.294 -8.667 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.471 -8.042 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.112 -8.241 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.752 -9.235 -2.005 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.290 -12.184 -1.935 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.333 -12.931 -1.242 1.00 0.00 C ATOM 1211 C ARG A 86 -2.217 -12.744 0.266 1.00 0.00 C ATOM 1212 O ARG A 86 -1.201 -13.093 0.868 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.246 -14.417 -1.594 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.597 -15.111 -1.644 1.00 0.00 C ATOM 1215 CD ARG A 86 -3.883 -15.878 -0.362 1.00 0.00 C ATOM 1216 NE ARG A 86 -4.127 -17.296 -0.616 1.00 0.00 N ATOM 1217 CZ ARG A 86 -3.161 -18.198 -0.785 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -1.886 -17.834 -0.733 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -3.473 -19.467 -1.009 1.00 0.00 N ATOM 0 H ARG A 86 -0.395 -12.160 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.300 -12.547 -1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.756 -14.524 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.616 -14.919 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.380 -14.371 -1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.623 -15.796 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.039 -15.772 0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.751 -15.444 0.134 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.095 -17.614 -0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.641 -16.859 -0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.151 -18.530 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.452 -19.752 -1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.734 -20.159 -1.139 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.261 -12.190 0.873 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.270 -11.955 2.312 1.00 0.00 C ATOM 1235 C GLU A 87 -3.620 -13.226 3.075 1.00 0.00 C ATOM 1236 O GLU A 87 -4.605 -13.897 2.766 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.262 -10.844 2.665 1.00 0.00 C ATOM 1238 CG GLU A 87 -4.129 -9.607 1.793 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.435 -8.852 1.649 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -6.236 -8.862 2.607 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -5.658 -8.250 0.577 1.00 0.00 O ATOM 0 H GLU A 87 -4.111 -11.896 0.392 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.267 -11.645 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.276 -11.233 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.120 -10.560 3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.376 -8.945 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.772 -9.900 0.806 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.806 -13.549 4.073 1.00 0.00 N ATOM 1249 CA ASP A 88 -3.028 -14.739 4.884 1.00 0.00 C ATOM 1250 C ASP A 88 -3.102 -14.388 6.362 1.00 0.00 C ATOM 1251 O ASP A 88 -3.996 -14.839 7.078 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.916 -15.762 4.643 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.440 -17.186 4.604 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.128 -17.538 3.624 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -2.163 -17.946 5.556 1.00 0.00 O ATOM 0 H ASP A 88 -1.987 -13.003 4.340 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.982 -15.174 4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.415 -15.536 3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.168 -15.674 5.431 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.149 -13.589 6.809 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.079 -13.175 8.195 1.00 0.00 C ATOM 1262 C GLN A 89 -2.537 -11.730 8.351 1.00 0.00 C ATOM 1263 O GLN A 89 -1.749 -10.798 8.181 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.644 -13.327 8.667 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.488 -13.328 10.178 1.00 0.00 C ATOM 1266 CD GLN A 89 -1.026 -14.592 10.819 1.00 0.00 C ATOM 1267 OE1 GLN A 89 -1.613 -15.440 10.148 1.00 0.00 O ATOM 1268 NE2 GLN A 89 -0.829 -14.723 12.126 1.00 0.00 N ATOM 0 H GLN A 89 -1.405 -13.211 6.222 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.740 -13.798 8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.238 -14.257 8.269 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.047 -12.515 8.251 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.567 -13.217 10.431 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.008 -12.465 10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.337 -13.994 12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.170 -15.552 12.613 1.00 0.00 H new ATOM 1277 N THR A 90 -3.812 -11.548 8.667 1.00 0.00 N ATOM 1278 CA THR A 90 -4.369 -10.213 8.835 1.00 0.00 C ATOM 1279 C THR A 90 -4.228 -9.723 10.270 1.00 0.00 C ATOM 1280 O THR A 90 -4.241 -10.511 11.215 1.00 0.00 O ATOM 1281 CB THR A 90 -5.838 -10.183 8.425 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.539 -11.282 8.981 1.00 0.00 O ATOM 1283 CG2 THR A 90 -6.046 -10.212 6.928 1.00 0.00 C ATOM 0 H THR A 90 -4.479 -12.306 8.812 1.00 0.00 H new ATOM 0 HA THR A 90 -3.802 -9.545 8.187 1.00 0.00 H new ATOM 0 HB THR A 90 -6.222 -9.237 8.807 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.479 -11.243 8.707 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.113 -10.188 6.708 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.563 -9.345 6.477 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.611 -11.124 6.518 1.00 0.00 H new ATOM 1291 N LEU A 91 -4.097 -8.411 10.415 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.958 -7.790 11.726 1.00 0.00 C ATOM 1293 C LEU A 91 -4.554 -6.384 11.720 1.00 0.00 C ATOM 1294 O LEU A 91 -4.178 -5.539 12.529 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.482 -7.725 12.127 1.00 0.00 C ATOM 1296 CG LEU A 91 -2.216 -7.782 13.631 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -0.906 -8.503 13.914 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -2.192 -6.380 14.222 1.00 0.00 C ATOM 0 H LEU A 91 -4.084 -7.753 9.636 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.499 -8.397 12.452 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.955 -8.551 11.649 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.055 -6.803 11.733 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.025 -8.340 14.103 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.733 -8.534 14.990 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.959 -9.520 13.525 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.086 -7.972 13.430 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.001 -6.440 15.294 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.404 -5.798 13.745 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.154 -5.897 14.051 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.478 -6.144 10.794 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.122 -4.840 10.666 1.00 0.00 C ATOM 1312 C LYS A 92 -6.875 -4.458 11.941 1.00 0.00 C ATOM 1313 O LYS A 92 -7.928 -5.022 12.238 1.00 0.00 O ATOM 1314 CB LYS A 92 -7.091 -4.848 9.481 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.777 -3.514 9.245 1.00 0.00 C ATOM 1316 CD LYS A 92 -9.026 -3.674 8.395 1.00 0.00 C ATOM 1317 CE LYS A 92 -8.685 -4.112 6.979 1.00 0.00 C ATOM 1318 NZ LYS A 92 -8.322 -5.554 6.913 1.00 0.00 N ATOM 0 H LYS A 92 -5.799 -6.838 10.119 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.340 -4.099 10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.547 -5.131 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.850 -5.612 9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.042 -3.065 10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.086 -2.830 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.688 -4.408 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.569 -2.730 8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.537 -3.922 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.856 -3.512 6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.762 -5.985 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.288 -5.649 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.661 -6.037 7.769 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.350 -3.485 12.711 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.985 -3.031 13.944 1.00 0.00 C ATOM 1334 C PRO A 93 -8.036 -1.953 13.686 1.00 0.00 C ATOM 1335 O PRO A 93 -9.075 -1.913 14.345 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.810 -2.463 14.731 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.886 -1.921 13.691 1.00 0.00 C ATOM 1338 CD PRO A 93 -5.101 -2.744 12.440 1.00 0.00 C ATOM 0 HA PRO A 93 -7.522 -3.827 14.460 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.134 -1.682 15.419 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.324 -3.234 15.330 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.094 -0.868 13.501 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.850 -1.987 14.023 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.195 -2.112 11.557 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.266 -3.421 12.259 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.756 -1.083 12.718 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.680 -0.017 12.381 1.00 0.00 C ATOM 1348 C GLY A 94 -8.872 0.120 10.882 1.00 0.00 C ATOM 1349 O GLY A 94 -8.091 -0.423 10.101 1.00 0.00 O ATOM 0 H GLY A 94 -6.902 -1.099 12.160 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.643 -0.210 12.853 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.310 0.925 12.786 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.905 0.851 10.477 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.183 1.060 9.073 1.00 0.00 C ATOM 1355 C LYS A 95 -10.886 2.393 8.851 1.00 0.00 C ATOM 1356 O LYS A 95 -11.911 2.462 8.174 1.00 0.00 O ATOM 1357 CB LYS A 95 -11.027 -0.087 8.513 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.190 -0.479 9.409 1.00 0.00 C ATOM 1359 CD LYS A 95 -13.079 -1.519 8.746 1.00 0.00 C ATOM 1360 CE LYS A 95 -14.318 -0.886 8.133 1.00 0.00 C ATOM 1361 NZ LYS A 95 -15.547 -1.675 8.421 1.00 0.00 N ATOM 0 H LYS A 95 -10.562 1.308 11.109 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.232 1.082 8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.413 0.201 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.388 -0.957 8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.808 -0.873 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.780 0.406 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.515 -2.041 7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.377 -2.266 9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.438 0.126 8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.186 -0.801 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.369 -1.209 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.444 -2.633 8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.688 -1.735 9.450 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.328 3.451 9.423 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.901 4.782 9.286 1.00 0.00 C ATOM 1377 C VAL A 96 -10.331 5.484 8.064 1.00 0.00 C ATOM 1378 O VAL A 96 -9.136 5.399 7.786 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.643 5.652 10.530 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.544 6.877 10.518 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.848 4.844 11.803 1.00 0.00 C ATOM 0 H VAL A 96 -9.479 3.413 9.987 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.977 4.653 9.173 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.607 5.988 10.506 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.349 7.481 11.404 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.343 7.468 9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.587 6.561 10.517 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.661 5.477 12.670 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.873 4.474 11.838 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.158 4.001 11.814 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.195 6.170 7.335 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.788 6.877 6.135 1.00 0.00 C ATOM 1393 C ASP A 97 -9.972 8.116 6.474 1.00 0.00 C ATOM 1394 O ASP A 97 -10.153 8.735 7.523 1.00 0.00 O ATOM 1395 CB ASP A 97 -12.012 7.268 5.305 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.636 7.843 3.954 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -11.331 9.052 3.888 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.647 7.084 2.962 1.00 0.00 O ATOM 0 H ASP A 97 -12.187 6.252 7.556 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.160 6.205 5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.644 6.392 5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.603 8.000 5.856 1.00 0.00 H new ATOM 1403 N VAL A 98 -9.071 8.463 5.570 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.205 9.621 5.739 1.00 0.00 C ATOM 1405 C VAL A 98 -7.937 10.294 4.397 1.00 0.00 C ATOM 1406 O VAL A 98 -7.200 9.767 3.564 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.861 9.229 6.381 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -6.108 10.466 6.846 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -7.082 8.265 7.536 1.00 0.00 C ATOM 0 H VAL A 98 -8.918 7.952 4.700 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.723 10.316 6.400 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.254 8.726 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.161 10.168 7.297 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.915 11.116 5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.707 11.002 7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.121 7.999 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.709 8.739 8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.574 7.364 7.169 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.544 11.457 4.191 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.375 12.196 2.947 1.00 0.00 C ATOM 1421 C LYS A 99 -6.913 12.574 2.726 1.00 0.00 C ATOM 1422 O LYS A 99 -6.194 12.896 3.672 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.243 13.453 2.956 1.00 0.00 C ATOM 1424 CG LYS A 99 -10.629 13.239 2.366 1.00 0.00 C ATOM 1425 CD LYS A 99 -11.007 14.356 1.406 1.00 0.00 C ATOM 1426 CE LYS A 99 -11.742 13.819 0.185 1.00 0.00 C ATOM 1427 NZ LYS A 99 -13.132 14.347 0.098 1.00 0.00 N ATOM 0 H LYS A 99 -9.157 11.908 4.870 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.689 11.550 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.344 13.807 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.736 14.239 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.659 12.283 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.363 13.185 3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.637 15.082 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.108 14.883 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.194 14.090 -0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.769 12.730 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.599 13.958 -0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.663 14.067 0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.106 15.385 0.032 1.00 0.00 H new ATOM 1441 N THR A 100 -6.483 12.534 1.469 1.00 0.00 N ATOM 1442 CA THR A 100 -5.109 12.873 1.118 1.00 0.00 C ATOM 1443 C THR A 100 -4.946 14.381 0.958 1.00 0.00 C ATOM 1444 O THR A 100 -5.893 15.083 0.603 1.00 0.00 O ATOM 1445 CB THR A 100 -4.705 12.164 -0.177 1.00 0.00 C ATOM 1446 OG1 THR A 100 -4.846 10.760 -0.044 1.00 0.00 O ATOM 1447 CG2 THR A 100 -3.277 12.444 -0.594 1.00 0.00 C ATOM 0 H THR A 100 -7.067 12.270 0.676 1.00 0.00 H new ATOM 0 HA THR A 100 -4.458 12.539 1.926 1.00 0.00 H new ATOM 0 HB THR A 100 -5.373 12.559 -0.943 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.585 10.324 -0.882 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.057 11.911 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.148 13.515 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.597 12.108 0.189 1.00 0.00 H new ATOM 1455 N ASP A 101 -3.741 14.875 1.225 1.00 0.00 N ATOM 1456 CA ASP A 101 -3.460 16.301 1.112 1.00 0.00 C ATOM 1457 C ASP A 101 -2.106 16.541 0.447 1.00 0.00 C ATOM 1458 O ASP A 101 -1.152 16.976 1.094 1.00 0.00 O ATOM 1459 CB ASP A 101 -3.489 16.959 2.493 1.00 0.00 C ATOM 1460 CG ASP A 101 -3.896 18.418 2.429 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -3.579 19.080 1.419 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -4.533 18.899 3.391 1.00 0.00 O ATOM 0 H ASP A 101 -2.945 14.310 1.521 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.233 16.749 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.184 16.418 3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.503 16.879 2.951 1.00 0.00 H new ATOM 1467 N LYS A 102 -2.033 16.259 -0.850 1.00 0.00 N ATOM 1468 CA LYS A 102 -0.799 16.446 -1.610 1.00 0.00 C ATOM 1469 C LYS A 102 0.296 15.485 -1.148 1.00 0.00 C ATOM 1470 O LYS A 102 1.466 15.655 -1.494 1.00 0.00 O ATOM 1471 CB LYS A 102 -0.310 17.890 -1.480 1.00 0.00 C ATOM 1472 CG LYS A 102 0.439 18.394 -2.703 1.00 0.00 C ATOM 1473 CD LYS A 102 -0.471 19.193 -3.624 1.00 0.00 C ATOM 1474 CE LYS A 102 0.191 20.484 -4.079 1.00 0.00 C ATOM 1475 NZ LYS A 102 -0.511 21.089 -5.245 1.00 0.00 N ATOM 0 H LYS A 102 -2.814 15.900 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.020 16.231 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.166 18.539 -1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.341 17.967 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 102 1.276 19.017 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.858 17.548 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -0.730 18.590 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.402 19.423 -3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.203 21.196 -3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.229 20.285 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.028 21.967 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.501 20.420 -6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.495 21.303 -4.985 1.00 0.00 H new ATOM 1489 N TRP A 103 -0.081 14.477 -0.365 1.00 0.00 N ATOM 1490 CA TRP A 103 0.876 13.501 0.136 1.00 0.00 C ATOM 1491 C TRP A 103 1.568 12.753 -1.000 1.00 0.00 C ATOM 1492 O TRP A 103 2.634 12.166 -0.811 1.00 0.00 O ATOM 1493 CB TRP A 103 0.181 12.522 1.062 1.00 0.00 C ATOM 1494 CG TRP A 103 0.297 12.954 2.468 1.00 0.00 C ATOM 1495 CD1 TRP A 103 -0.706 13.360 3.282 1.00 0.00 C ATOM 1496 CD2 TRP A 103 1.502 13.060 3.226 1.00 0.00 C ATOM 1497 NE1 TRP A 103 -0.198 13.699 4.497 1.00 0.00 N ATOM 1498 CE2 TRP A 103 1.141 13.521 4.492 1.00 0.00 C ATOM 1499 CE3 TRP A 103 2.847 12.803 2.962 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 2.050 13.739 5.499 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 3.772 13.019 3.970 1.00 0.00 C ATOM 1502 CH2 TRP A 103 3.367 13.484 5.231 1.00 0.00 C ATOM 0 H TRP A 103 -1.043 14.317 -0.065 1.00 0.00 H new ATOM 0 HA TRP A 103 1.644 14.041 0.690 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -0.871 12.440 0.788 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.619 11.531 0.945 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.750 13.407 3.008 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -0.744 14.036 5.290 1.00 0.00 H new ATOM 0 HE3 TRP A 103 3.160 12.444 1.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.736 14.099 6.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.818 12.827 3.783 1.00 0.00 H new ATOM 0 HH2 TRP A 103 4.107 13.643 6.002 1.00 0.00 H new ATOM 1513 N ASP A 104 0.953 12.774 -2.178 1.00 0.00 N ATOM 1514 CA ASP A 104 1.509 12.096 -3.342 1.00 0.00 C ATOM 1515 C ASP A 104 0.764 12.496 -4.612 1.00 0.00 C ATOM 1516 O ASP A 104 -0.246 11.888 -4.968 1.00 0.00 O ATOM 1517 CB ASP A 104 1.442 10.579 -3.154 1.00 0.00 C ATOM 1518 CG ASP A 104 2.249 9.831 -4.197 1.00 0.00 C ATOM 1519 OD1 ASP A 104 3.488 9.769 -4.059 1.00 0.00 O ATOM 1520 OD2 ASP A 104 1.640 9.305 -5.153 1.00 0.00 O ATOM 0 H ASP A 104 0.069 13.253 -2.351 1.00 0.00 H new ATOM 0 HA ASP A 104 2.552 12.397 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.810 10.322 -2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.402 10.255 -3.202 1.00 0.00 H new ATOM 1525 N PHE A 105 1.267 13.521 -5.290 1.00 0.00 N ATOM 1526 CA PHE A 105 0.649 14.002 -6.519 1.00 0.00 C ATOM 1527 C PHE A 105 1.434 13.540 -7.743 1.00 0.00 C ATOM 1528 O PHE A 105 0.893 12.870 -8.624 1.00 0.00 O ATOM 1529 CB PHE A 105 0.553 15.530 -6.503 1.00 0.00 C ATOM 1530 CG PHE A 105 -0.855 16.042 -6.392 1.00 0.00 C ATOM 1531 CD1 PHE A 105 -1.590 15.839 -5.235 1.00 0.00 C ATOM 1532 CD2 PHE A 105 -1.442 16.725 -7.443 1.00 0.00 C ATOM 1533 CE1 PHE A 105 -2.886 16.309 -5.130 1.00 0.00 C ATOM 1534 CE2 PHE A 105 -2.737 17.198 -7.344 1.00 0.00 C ATOM 1535 CZ PHE A 105 -3.460 16.989 -6.185 1.00 0.00 C ATOM 0 H PHE A 105 2.102 14.035 -5.009 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.356 13.583 -6.578 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.137 15.914 -5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 105 1.003 15.924 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.146 15.308 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.882 16.890 -8.351 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.449 16.144 -4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.183 17.730 -8.171 1.00 0.00 H new ATOM 0 HZ PHE A 105 -4.472 17.357 -6.105 1.00 0.00 H new ATOM 1545 N TYR A 106 2.712 13.902 -7.793 1.00 0.00 N ATOM 1546 CA TYR A 106 3.571 13.524 -8.911 1.00 0.00 C ATOM 1547 C TYR A 106 4.639 12.529 -8.468 1.00 0.00 C ATOM 1548 O TYR A 106 4.991 12.464 -7.290 1.00 0.00 O ATOM 1549 CB TYR A 106 4.232 14.766 -9.513 1.00 0.00 C ATOM 1550 CG TYR A 106 5.040 14.478 -10.759 1.00 0.00 C ATOM 1551 CD1 TYR A 106 4.415 14.184 -11.964 1.00 0.00 C ATOM 1552 CD2 TYR A 106 6.429 14.502 -10.729 1.00 0.00 C ATOM 1553 CE1 TYR A 106 5.150 13.922 -13.104 1.00 0.00 C ATOM 1554 CE2 TYR A 106 7.172 14.241 -11.866 1.00 0.00 C ATOM 1555 CZ TYR A 106 6.528 13.952 -13.050 1.00 0.00 C ATOM 1556 OH TYR A 106 7.263 13.691 -14.183 1.00 0.00 O ATOM 0 H TYR A 106 3.176 14.456 -7.073 1.00 0.00 H new ATOM 0 HA TYR A 106 2.950 13.046 -9.669 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.461 15.498 -9.751 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.882 15.220 -8.765 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.336 14.160 -12.011 1.00 0.00 H new ATOM 0 HD2 TYR A 106 6.937 14.728 -9.803 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.648 13.695 -14.033 1.00 0.00 H new ATOM 0 HE2 TYR A 106 8.251 14.264 -11.826 1.00 0.00 H new ATOM 0 HH TYR A 106 8.219 13.754 -13.975 1.00 0.00 H new ATOM 1566 N CYS A 107 5.151 11.756 -9.420 1.00 0.00 N ATOM 1567 CA CYS A 107 6.181 10.764 -9.130 1.00 0.00 C ATOM 1568 C CYS A 107 7.439 11.431 -8.582 1.00 0.00 C ATOM 1569 O CYS A 107 7.755 12.567 -8.935 1.00 0.00 O ATOM 1570 CB CYS A 107 6.519 9.965 -10.389 1.00 0.00 C ATOM 1571 SG CYS A 107 6.808 8.190 -10.090 1.00 0.00 S ATOM 0 H CYS A 107 4.870 11.797 -10.400 1.00 0.00 H new ATOM 0 HA CYS A 107 5.792 10.084 -8.372 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.704 10.074 -11.105 1.00 0.00 H new ATOM 0 HB3 CYS A 107 7.408 10.394 -10.851 1.00 0.00 H new ATOM 1576 N GLN A 108 8.154 10.717 -7.719 1.00 0.00 N ATOM 1577 CA GLN A 108 9.378 11.240 -7.123 1.00 0.00 C ATOM 1578 C GLN A 108 10.593 10.442 -7.589 1.00 0.00 C ATOM 1579 O GLN A 108 10.495 9.776 -8.640 1.00 0.00 O ATOM 1580 CB GLN A 108 9.283 11.204 -5.597 1.00 0.00 C ATOM 1581 CG GLN A 108 8.044 11.893 -5.047 1.00 0.00 C ATOM 1582 CD GLN A 108 8.096 13.400 -5.207 1.00 0.00 C ATOM 1583 OE1 GLN A 108 8.721 13.916 -6.133 1.00 0.00 O ATOM 1584 NE2 GLN A 108 7.437 14.113 -4.301 1.00 0.00 N ATOM 1585 OXT GLN A 108 11.631 10.492 -6.897 1.00 0.00 O ATOM 0 H GLN A 108 7.907 9.775 -7.417 1.00 0.00 H new ATOM 0 HA GLN A 108 9.498 12.274 -7.447 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.288 10.166 -5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.169 11.678 -5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.161 11.507 -5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.934 11.647 -3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.932 13.642 -3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.436 15.132 -4.356 1.00 0.00 H new TER 1594 GLN A 108