USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 682 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 33 MET CE :methyl -160:sc= -1.5 (180deg=-2.96) USER MOD Set 1.2: A 52 HIS : no HD1:sc= -2.64! C(o=-4.1!,f=-7.8!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 167:sc= 0.04 USER MOD Single : A 2 LYS NZ :NH3+ -143:sc= -0.971 (180deg=-3.13!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 140:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc=-0.00614 (180deg=-0.0917) USER MOD Single : A 14 TYR OH : rot -79:sc= 0.00241 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00193 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -163:sc= -0.0989 (180deg=-0.549) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.0734 (180deg=-0.251) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -2.9! K(o=-2.9!,f=-5.5) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= -0.0444 (180deg=-0.286) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -77:sc= 0.664 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -71:sc= 0.107 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc=-0.00521 K(o=-0.0052,f=-0.81) USER MOD Single : A 49 HIS : no HD1:sc= -0.449 K(o=-0.45,f=-1.5) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 58 THR OG1 : rot 175:sc= -0.829 USER MOD Single : A 59 LYS NZ :NH3+ -119:sc= 0.182 (180deg=-0.18) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -0.0841 (180deg=-0.496) USER MOD Single : A 65 TYR OH : rot 26:sc= 1.14 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -159:sc= 1.19 (180deg=1.07) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.581 -9.859 -3.531 1.00 63.54 N ATOM 2 CA SER A 1 17.942 -8.737 -4.132 1.00 12.33 C ATOM 3 C SER A 1 17.342 -7.812 -3.095 1.00 5.41 C ATOM 4 O SER A 1 16.446 -8.191 -2.348 1.00 24.15 O ATOM 5 CB SER A 1 16.863 -9.217 -5.118 1.00 51.24 C ATOM 6 OG SER A 1 16.206 -8.136 -5.763 1.00 41.22 O ATOM 0 H1 SER A 1 18.980 -10.470 -4.272 1.00 63.54 H new ATOM 0 H2 SER A 1 19.344 -9.530 -2.906 1.00 63.54 H new ATOM 0 H3 SER A 1 17.886 -10.398 -2.975 1.00 63.54 H new ATOM 0 HA SER A 1 18.697 -8.168 -4.674 1.00 12.33 H new ATOM 0 HB2 SER A 1 17.320 -9.862 -5.869 1.00 51.24 H new ATOM 0 HB3 SER A 1 16.128 -9.820 -4.585 1.00 51.24 H new ATOM 0 HG SER A 1 15.682 -8.475 -6.519 1.00 41.22 H new ATOM 12 N LYS A 2 17.869 -6.626 -3.023 1.00 13.03 N ATOM 13 CA LYS A 2 17.295 -5.585 -2.234 1.00 30.43 C ATOM 14 C LYS A 2 16.773 -4.562 -3.206 1.00 10.12 C ATOM 15 O LYS A 2 17.463 -3.604 -3.563 1.00 5.44 O ATOM 16 CB LYS A 2 18.311 -4.964 -1.259 1.00 62.44 C ATOM 17 CG LYS A 2 18.896 -5.961 -0.260 1.00 20.41 C ATOM 18 CD LYS A 2 19.962 -5.363 0.689 1.00 34.24 C ATOM 19 CE LYS A 2 19.421 -4.342 1.719 1.00 75.42 C ATOM 20 NZ LYS A 2 18.934 -3.071 1.131 1.00 44.05 N ATOM 0 H LYS A 2 18.719 -6.354 -3.517 1.00 13.03 H new ATOM 0 HA LYS A 2 16.498 -5.979 -1.604 1.00 30.43 H new ATOM 0 HB2 LYS A 2 19.124 -4.518 -1.832 1.00 62.44 H new ATOM 0 HB3 LYS A 2 17.827 -4.156 -0.711 1.00 62.44 H new ATOM 0 HG2 LYS A 2 18.085 -6.375 0.339 1.00 20.41 H new ATOM 0 HG3 LYS A 2 19.341 -6.790 -0.810 1.00 20.41 H new ATOM 0 HD2 LYS A 2 20.446 -6.178 1.227 1.00 34.24 H new ATOM 0 HD3 LYS A 2 20.731 -4.877 0.088 1.00 34.24 H new ATOM 0 HE2 LYS A 2 18.607 -4.805 2.276 1.00 75.42 H new ATOM 0 HE3 LYS A 2 20.210 -4.116 2.436 1.00 75.42 H new ATOM 0 HZ1 LYS A 2 19.177 -2.281 1.762 1.00 44.05 H new ATOM 0 HZ2 LYS A 2 19.382 -2.923 0.204 1.00 44.05 H new ATOM 0 HZ3 LYS A 2 17.902 -3.116 1.014 1.00 44.05 H new ATOM 34 N CYS A 3 15.602 -4.838 -3.716 1.00 23.10 N ATOM 35 CA CYS A 3 15.007 -4.029 -4.746 1.00 34.53 C ATOM 36 C CYS A 3 14.487 -2.743 -4.154 1.00 24.13 C ATOM 37 O CYS A 3 13.623 -2.756 -3.255 1.00 0.13 O ATOM 38 CB CYS A 3 13.881 -4.806 -5.434 1.00 3.25 C ATOM 39 SG CYS A 3 13.272 -4.043 -6.982 1.00 63.54 S ATOM 0 H CYS A 3 15.032 -5.633 -3.428 1.00 23.10 H new ATOM 0 HA CYS A 3 15.762 -3.783 -5.493 1.00 34.53 H new ATOM 0 HB2 CYS A 3 14.233 -5.814 -5.654 1.00 3.25 H new ATOM 0 HB3 CYS A 3 13.047 -4.905 -4.739 1.00 3.25 H new ATOM 44 N LYS A 4 15.006 -1.634 -4.624 1.00 34.40 N ATOM 45 CA LYS A 4 14.611 -0.378 -4.093 1.00 20.34 C ATOM 46 C LYS A 4 13.569 0.282 -4.954 1.00 13.32 C ATOM 47 O LYS A 4 13.877 1.025 -5.885 1.00 73.24 O ATOM 48 CB LYS A 4 15.791 0.559 -3.864 1.00 3.33 C ATOM 49 CG LYS A 4 16.867 0.001 -2.948 1.00 35.42 C ATOM 50 CD LYS A 4 17.928 1.044 -2.627 1.00 2.13 C ATOM 51 CE LYS A 4 18.589 1.598 -3.874 1.00 43.42 C ATOM 52 NZ LYS A 4 19.602 2.627 -3.550 1.00 64.43 N ATOM 0 H LYS A 4 15.700 -1.589 -5.371 1.00 34.40 H new ATOM 0 HA LYS A 4 14.170 -0.585 -3.118 1.00 20.34 H new ATOM 0 HB2 LYS A 4 16.240 0.800 -4.827 1.00 3.33 H new ATOM 0 HB3 LYS A 4 15.421 1.493 -3.442 1.00 3.33 H new ATOM 0 HG2 LYS A 4 16.411 -0.351 -2.023 1.00 35.42 H new ATOM 0 HG3 LYS A 4 17.336 -0.862 -3.421 1.00 35.42 H new ATOM 0 HD2 LYS A 4 17.473 1.861 -2.067 1.00 2.13 H new ATOM 0 HD3 LYS A 4 18.687 0.600 -1.983 1.00 2.13 H new ATOM 0 HE2 LYS A 4 19.061 0.785 -4.427 1.00 43.42 H new ATOM 0 HE3 LYS A 4 17.830 2.029 -4.527 1.00 43.42 H new ATOM 0 HZ1 LYS A 4 20.031 2.981 -4.429 1.00 64.43 H new ATOM 0 HZ2 LYS A 4 19.148 3.414 -3.045 1.00 64.43 H new ATOM 0 HZ3 LYS A 4 20.340 2.210 -2.948 1.00 64.43 H new ATOM 66 N CYS A 5 12.356 -0.062 -4.696 1.00 34.41 N ATOM 67 CA CYS A 5 11.211 0.600 -5.298 1.00 0.45 C ATOM 68 C CYS A 5 10.855 1.739 -4.323 1.00 44.41 C ATOM 69 O CYS A 5 10.108 2.686 -4.616 1.00 64.40 O ATOM 70 CB CYS A 5 10.084 -0.429 -5.408 1.00 70.11 C ATOM 71 SG CYS A 5 8.598 0.113 -6.276 1.00 43.24 S ATOM 0 H CYS A 5 12.109 -0.817 -4.056 1.00 34.41 H new ATOM 0 HA CYS A 5 11.395 0.998 -6.296 1.00 0.45 H new ATOM 0 HB2 CYS A 5 10.474 -1.312 -5.914 1.00 70.11 H new ATOM 0 HB3 CYS A 5 9.801 -0.737 -4.401 1.00 70.11 H new ATOM 76 N SER A 6 11.460 1.583 -3.174 1.00 31.44 N ATOM 77 CA SER A 6 11.478 2.414 -2.042 1.00 40.11 C ATOM 78 C SER A 6 12.278 1.554 -1.079 1.00 23.53 C ATOM 79 O SER A 6 12.371 0.325 -1.320 1.00 24.23 O ATOM 80 CB SER A 6 10.051 2.664 -1.509 1.00 2.31 C ATOM 81 OG SER A 6 10.042 3.648 -0.474 1.00 52.42 O ATOM 0 H SER A 6 12.023 0.748 -3.011 1.00 31.44 H new ATOM 0 HA SER A 6 11.888 3.409 -2.215 1.00 40.11 H new ATOM 0 HB2 SER A 6 9.408 2.989 -2.327 1.00 2.31 H new ATOM 0 HB3 SER A 6 9.635 1.731 -1.129 1.00 2.31 H new ATOM 0 HG SER A 6 9.262 4.231 -0.584 1.00 52.42 H new ATOM 87 N ARG A 7 12.889 2.115 -0.070 1.00 73.24 N ATOM 88 CA ARG A 7 13.663 1.291 0.855 1.00 24.23 C ATOM 89 C ARG A 7 12.727 0.346 1.596 1.00 74.21 C ATOM 90 O ARG A 7 12.978 -0.860 1.703 1.00 61.02 O ATOM 91 CB ARG A 7 14.475 2.159 1.813 1.00 72.13 C ATOM 92 CG ARG A 7 15.332 1.372 2.781 1.00 23.31 C ATOM 93 CD ARG A 7 16.194 2.289 3.614 1.00 53.31 C ATOM 94 NE ARG A 7 17.012 1.547 4.575 1.00 5.33 N ATOM 95 CZ ARG A 7 17.924 2.096 5.384 1.00 51.24 C ATOM 96 NH1 ARG A 7 18.182 3.400 5.331 1.00 63.23 N ATOM 97 NH2 ARG A 7 18.588 1.336 6.236 1.00 65.32 N ATOM 0 H ARG A 7 12.876 3.113 0.140 1.00 73.24 H new ATOM 0 HA ARG A 7 14.379 0.692 0.293 1.00 24.23 H new ATOM 0 HB2 ARG A 7 15.116 2.821 1.232 1.00 72.13 H new ATOM 0 HB3 ARG A 7 13.793 2.792 2.380 1.00 72.13 H new ATOM 0 HG2 ARG A 7 14.695 0.775 3.433 1.00 23.31 H new ATOM 0 HG3 ARG A 7 15.964 0.676 2.229 1.00 23.31 H new ATOM 0 HD2 ARG A 7 16.842 2.872 2.959 1.00 53.31 H new ATOM 0 HD3 ARG A 7 15.560 2.997 4.148 1.00 53.31 H new ATOM 0 HE ARG A 7 16.876 0.538 4.632 1.00 5.33 H new ATOM 0 HH11 ARG A 7 17.682 3.992 4.668 1.00 63.23 H new ATOM 0 HH12 ARG A 7 18.880 3.807 5.953 1.00 63.23 H new ATOM 0 HH21 ARG A 7 18.404 0.333 6.275 1.00 65.32 H new ATOM 0 HH22 ARG A 7 19.284 1.752 6.855 1.00 65.32 H new ATOM 111 N LYS A 8 11.648 0.896 2.064 1.00 33.33 N ATOM 112 CA LYS A 8 10.594 0.143 2.703 1.00 60.51 C ATOM 113 C LYS A 8 9.276 0.646 2.175 1.00 32.33 C ATOM 114 O LYS A 8 8.481 -0.106 1.633 1.00 71.22 O ATOM 115 CB LYS A 8 10.601 0.320 4.230 1.00 53.24 C ATOM 116 CG LYS A 8 11.844 -0.158 4.949 1.00 1.50 C ATOM 117 CD LYS A 8 11.668 -0.002 6.450 1.00 14.41 C ATOM 118 CE LYS A 8 12.882 -0.476 7.217 1.00 20.52 C ATOM 119 NZ LYS A 8 12.682 -0.357 8.673 1.00 44.24 N ATOM 0 H LYS A 8 11.465 1.898 2.015 1.00 33.33 H new ATOM 0 HA LYS A 8 10.747 -0.914 2.485 1.00 60.51 H new ATOM 0 HB2 LYS A 8 10.460 1.377 4.454 1.00 53.24 H new ATOM 0 HB3 LYS A 8 9.742 -0.210 4.641 1.00 53.24 H new ATOM 0 HG2 LYS A 8 12.037 -1.202 4.704 1.00 1.50 H new ATOM 0 HG3 LYS A 8 12.710 0.413 4.615 1.00 1.50 H new ATOM 0 HD2 LYS A 8 11.477 1.045 6.685 1.00 14.41 H new ATOM 0 HD3 LYS A 8 10.793 -0.566 6.773 1.00 14.41 H new ATOM 0 HE2 LYS A 8 13.092 -1.514 6.961 1.00 20.52 H new ATOM 0 HE3 LYS A 8 13.753 0.108 6.919 1.00 20.52 H new ATOM 0 HZ1 LYS A 8 13.533 -0.690 9.169 1.00 44.24 H new ATOM 0 HZ2 LYS A 8 12.505 0.638 8.919 1.00 44.24 H new ATOM 0 HZ3 LYS A 8 11.866 -0.934 8.960 1.00 44.24 H new ATOM 133 N GLY A 9 9.094 1.937 2.317 1.00 72.21 N ATOM 134 CA GLY A 9 7.881 2.599 1.962 1.00 3.33 C ATOM 135 C GLY A 9 7.407 3.378 3.164 1.00 12.34 C ATOM 136 O GLY A 9 7.174 2.777 4.212 1.00 51.11 O ATOM 0 H GLY A 9 9.807 2.563 2.692 1.00 72.21 H new ATOM 0 HA2 GLY A 9 8.044 3.266 1.116 1.00 3.33 H new ATOM 0 HA3 GLY A 9 7.127 1.874 1.656 1.00 3.33 H new ATOM 140 N PRO A 10 7.321 4.725 3.073 1.00 41.33 N ATOM 141 CA PRO A 10 6.883 5.581 4.199 1.00 4.30 C ATOM 142 C PRO A 10 5.542 5.140 4.783 1.00 12.23 C ATOM 143 O PRO A 10 4.735 4.492 4.100 1.00 20.01 O ATOM 144 CB PRO A 10 6.754 6.963 3.555 1.00 15.33 C ATOM 145 CG PRO A 10 7.703 6.924 2.417 1.00 31.42 C ATOM 146 CD PRO A 10 7.644 5.524 1.886 1.00 31.33 C ATOM 0 HA PRO A 10 7.581 5.543 5.036 1.00 4.30 H new ATOM 0 HB2 PRO A 10 5.735 7.151 3.217 1.00 15.33 H new ATOM 0 HB3 PRO A 10 7.008 7.756 4.259 1.00 15.33 H new ATOM 0 HG2 PRO A 10 7.423 7.646 1.649 1.00 31.42 H new ATOM 0 HG3 PRO A 10 8.713 7.178 2.740 1.00 31.42 H new ATOM 0 HD2 PRO A 10 6.884 5.419 1.112 1.00 31.33 H new ATOM 0 HD3 PRO A 10 8.593 5.221 1.444 1.00 31.33 H new ATOM 154 N LYS A 11 5.307 5.488 6.035 1.00 3.31 N ATOM 155 CA LYS A 11 4.089 5.098 6.706 1.00 14.04 C ATOM 156 C LYS A 11 2.884 5.832 6.140 1.00 1.32 C ATOM 157 O LYS A 11 2.729 7.055 6.298 1.00 15.32 O ATOM 158 CB LYS A 11 4.185 5.277 8.231 1.00 21.35 C ATOM 159 CG LYS A 11 2.915 4.856 8.976 1.00 54.44 C ATOM 160 CD LYS A 11 2.572 3.390 8.711 1.00 60.41 C ATOM 161 CE LYS A 11 1.270 2.987 9.379 1.00 32.05 C ATOM 162 NZ LYS A 11 1.331 3.113 10.844 1.00 30.53 N ATOM 0 H LYS A 11 5.947 6.041 6.605 1.00 3.31 H new ATOM 0 HA LYS A 11 3.950 4.033 6.517 1.00 14.04 H new ATOM 0 HB2 LYS A 11 5.026 4.694 8.605 1.00 21.35 H new ATOM 0 HB3 LYS A 11 4.398 6.323 8.454 1.00 21.35 H new ATOM 0 HG2 LYS A 11 3.051 5.012 10.046 1.00 54.44 H new ATOM 0 HG3 LYS A 11 2.083 5.488 8.665 1.00 54.44 H new ATOM 0 HD2 LYS A 11 2.496 3.223 7.637 1.00 60.41 H new ATOM 0 HD3 LYS A 11 3.380 2.756 9.076 1.00 60.41 H new ATOM 0 HE2 LYS A 11 0.460 3.609 8.997 1.00 32.05 H new ATOM 0 HE3 LYS A 11 1.033 1.956 9.115 1.00 32.05 H new ATOM 0 HZ1 LYS A 11 0.473 2.701 11.264 1.00 30.53 H new ATOM 0 HZ2 LYS A 11 2.168 2.609 11.201 1.00 30.53 H new ATOM 0 HZ3 LYS A 11 1.395 4.118 11.104 1.00 30.53 H new ATOM 176 N ILE A 12 2.070 5.082 5.471 1.00 3.43 N ATOM 177 CA ILE A 12 0.868 5.553 4.849 1.00 64.13 C ATOM 178 C ILE A 12 -0.281 5.206 5.757 1.00 74.44 C ATOM 179 O ILE A 12 -0.199 4.234 6.508 1.00 71.32 O ATOM 180 CB ILE A 12 0.655 4.842 3.498 1.00 72.15 C ATOM 181 CG1 ILE A 12 1.940 4.878 2.685 1.00 14.24 C ATOM 182 CG2 ILE A 12 -0.471 5.519 2.713 1.00 12.24 C ATOM 183 CD1 ILE A 12 1.864 4.102 1.411 1.00 62.44 C ATOM 0 H ILE A 12 2.228 4.083 5.335 1.00 3.43 H new ATOM 0 HA ILE A 12 0.934 6.628 4.680 1.00 64.13 H new ATOM 0 HB ILE A 12 0.378 3.805 3.689 1.00 72.15 H new ATOM 0 HG12 ILE A 12 2.185 5.915 2.455 1.00 14.24 H new ATOM 0 HG13 ILE A 12 2.755 4.485 3.292 1.00 14.24 H new ATOM 0 HG21 ILE A 12 -0.610 5.006 1.761 1.00 12.24 H new ATOM 0 HG22 ILE A 12 -1.395 5.472 3.289 1.00 12.24 H new ATOM 0 HG23 ILE A 12 -0.211 6.561 2.529 1.00 12.24 H new ATOM 0 HD11 ILE A 12 2.816 4.173 0.884 1.00 62.44 H new ATOM 0 HD12 ILE A 12 1.650 3.057 1.634 1.00 62.44 H new ATOM 0 HD13 ILE A 12 1.071 4.509 0.784 1.00 62.44 H new ATOM 195 N ARG A 13 -1.294 6.006 5.766 1.00 61.54 N ATOM 196 CA ARG A 13 -2.464 5.684 6.521 1.00 51.34 C ATOM 197 C ARG A 13 -3.455 5.037 5.576 1.00 25.13 C ATOM 198 O ARG A 13 -3.399 5.265 4.368 1.00 32.42 O ATOM 199 CB ARG A 13 -3.068 6.924 7.100 1.00 73.45 C ATOM 200 CG ARG A 13 -2.132 7.728 7.982 1.00 51.40 C ATOM 201 CD ARG A 13 -2.762 9.045 8.359 1.00 44.43 C ATOM 202 NE ARG A 13 -3.110 9.822 7.160 1.00 70.32 N ATOM 203 CZ ARG A 13 -3.690 11.019 7.149 1.00 3.42 C ATOM 204 NH1 ARG A 13 -3.952 11.650 8.287 1.00 1.13 N ATOM 205 NH2 ARG A 13 -3.993 11.589 5.995 1.00 21.21 N ATOM 0 H ARG A 13 -1.338 6.890 5.259 1.00 61.54 H new ATOM 0 HA ARG A 13 -2.208 5.013 7.340 1.00 51.34 H new ATOM 0 HB2 ARG A 13 -3.413 7.559 6.284 1.00 73.45 H new ATOM 0 HB3 ARG A 13 -3.947 6.647 7.682 1.00 73.45 H new ATOM 0 HG2 ARG A 13 -1.894 7.161 8.882 1.00 51.40 H new ATOM 0 HG3 ARG A 13 -1.192 7.904 7.459 1.00 51.40 H new ATOM 0 HD2 ARG A 13 -3.657 8.867 8.955 1.00 44.43 H new ATOM 0 HD3 ARG A 13 -2.074 9.617 8.981 1.00 44.43 H new ATOM 0 HE ARG A 13 -2.887 9.406 6.256 1.00 70.32 H new ATOM 0 HH11 ARG A 13 -3.708 11.217 9.178 1.00 1.13 H new ATOM 0 HH12 ARG A 13 -4.397 12.568 8.271 1.00 1.13 H new ATOM 0 HH21 ARG A 13 -3.782 11.111 5.119 1.00 21.21 H new ATOM 0 HH22 ARG A 13 -4.438 12.507 5.981 1.00 21.21 H new ATOM 219 N TYR A 14 -4.368 4.276 6.111 1.00 73.35 N ATOM 220 CA TYR A 14 -5.341 3.542 5.300 1.00 71.23 C ATOM 221 C TYR A 14 -6.300 4.519 4.638 1.00 43.50 C ATOM 222 O TYR A 14 -6.816 4.281 3.540 1.00 73.20 O ATOM 223 CB TYR A 14 -6.112 2.563 6.191 1.00 32.05 C ATOM 224 CG TYR A 14 -5.204 1.664 6.990 1.00 63.13 C ATOM 225 CD1 TYR A 14 -4.643 0.538 6.426 1.00 41.10 C ATOM 226 CD2 TYR A 14 -4.894 1.956 8.315 1.00 54.23 C ATOM 227 CE1 TYR A 14 -3.801 -0.272 7.146 1.00 63.01 C ATOM 228 CE2 TYR A 14 -4.052 1.149 9.045 1.00 34.31 C ATOM 229 CZ TYR A 14 -3.506 0.036 8.458 1.00 1.51 C ATOM 230 OH TYR A 14 -2.651 -0.775 9.185 1.00 62.23 O ATOM 0 H TYR A 14 -4.472 4.137 7.116 1.00 73.35 H new ATOM 0 HA TYR A 14 -4.820 2.982 4.523 1.00 71.23 H new ATOM 0 HB2 TYR A 14 -6.751 3.125 6.872 1.00 32.05 H new ATOM 0 HB3 TYR A 14 -6.767 1.952 5.570 1.00 32.05 H new ATOM 0 HD1 TYR A 14 -4.870 0.289 5.400 1.00 41.10 H new ATOM 0 HD2 TYR A 14 -5.322 2.832 8.779 1.00 54.23 H new ATOM 0 HE1 TYR A 14 -3.370 -1.149 6.686 1.00 63.01 H new ATOM 0 HE2 TYR A 14 -3.823 1.390 10.072 1.00 34.31 H new ATOM 0 HH TYR A 14 -3.138 -1.565 9.499 1.00 62.23 H new ATOM 240 N SER A 15 -6.492 5.633 5.307 1.00 42.54 N ATOM 241 CA SER A 15 -7.350 6.699 4.865 1.00 61.43 C ATOM 242 C SER A 15 -6.801 7.360 3.582 1.00 3.11 C ATOM 243 O SER A 15 -7.565 7.897 2.764 1.00 65.23 O ATOM 244 CB SER A 15 -7.403 7.728 5.979 1.00 21.13 C ATOM 245 OG SER A 15 -7.721 7.099 7.219 1.00 70.11 O ATOM 0 H SER A 15 -6.040 5.824 6.201 1.00 42.54 H new ATOM 0 HA SER A 15 -8.341 6.305 4.638 1.00 61.43 H new ATOM 0 HB2 SER A 15 -6.443 8.238 6.058 1.00 21.13 H new ATOM 0 HB3 SER A 15 -8.150 8.487 5.747 1.00 21.13 H new ATOM 0 HG SER A 15 -7.750 7.773 7.930 1.00 70.11 H new ATOM 251 N ASP A 16 -5.478 7.280 3.394 1.00 3.24 N ATOM 252 CA ASP A 16 -4.819 7.936 2.258 1.00 73.35 C ATOM 253 C ASP A 16 -4.870 7.070 1.028 1.00 42.52 C ATOM 254 O ASP A 16 -4.693 7.554 -0.086 1.00 61.31 O ATOM 255 CB ASP A 16 -3.323 8.249 2.546 1.00 73.14 C ATOM 256 CG ASP A 16 -3.075 9.208 3.690 1.00 13.32 C ATOM 257 OD1 ASP A 16 -3.413 10.407 3.575 1.00 21.41 O ATOM 258 OD2 ASP A 16 -2.519 8.789 4.722 1.00 61.13 O ATOM 0 H ASP A 16 -4.845 6.770 4.011 1.00 3.24 H new ATOM 0 HA ASP A 16 -5.362 8.867 2.097 1.00 73.35 H new ATOM 0 HB2 ASP A 16 -2.807 7.313 2.759 1.00 73.14 H new ATOM 0 HB3 ASP A 16 -2.874 8.662 1.643 1.00 73.14 H new ATOM 263 N VAL A 17 -5.125 5.800 1.217 1.00 11.13 N ATOM 264 CA VAL A 17 -5.049 4.856 0.124 1.00 2.51 C ATOM 265 C VAL A 17 -6.369 4.759 -0.640 1.00 32.13 C ATOM 266 O VAL A 17 -7.415 4.448 -0.068 1.00 23.33 O ATOM 267 CB VAL A 17 -4.654 3.447 0.613 1.00 51.10 C ATOM 268 CG1 VAL A 17 -4.403 2.508 -0.556 1.00 43.42 C ATOM 269 CG2 VAL A 17 -3.469 3.487 1.561 1.00 50.42 C ATOM 0 H VAL A 17 -5.387 5.393 2.115 1.00 11.13 H new ATOM 0 HA VAL A 17 -4.277 5.235 -0.546 1.00 2.51 H new ATOM 0 HB VAL A 17 -5.499 3.053 1.178 1.00 51.10 H new ATOM 0 HG11 VAL A 17 -4.127 1.523 -0.179 1.00 43.42 H new ATOM 0 HG12 VAL A 17 -5.308 2.425 -1.157 1.00 43.42 H new ATOM 0 HG13 VAL A 17 -3.594 2.901 -1.171 1.00 43.42 H new ATOM 0 HG21 VAL A 17 -3.225 2.474 1.881 1.00 50.42 H new ATOM 0 HG22 VAL A 17 -2.610 3.924 1.052 1.00 50.42 H new ATOM 0 HG23 VAL A 17 -3.720 4.092 2.432 1.00 50.42 H new ATOM 279 N LYS A 18 -6.303 5.020 -1.917 1.00 0.53 N ATOM 280 CA LYS A 18 -7.437 4.872 -2.835 1.00 42.45 C ATOM 281 C LYS A 18 -7.476 3.481 -3.419 1.00 53.24 C ATOM 282 O LYS A 18 -8.544 2.934 -3.690 1.00 52.34 O ATOM 283 CB LYS A 18 -7.298 5.841 -4.005 1.00 41.00 C ATOM 284 CG LYS A 18 -7.538 7.293 -3.685 1.00 3.32 C ATOM 285 CD LYS A 18 -8.998 7.569 -3.325 1.00 35.15 C ATOM 286 CE LYS A 18 -9.927 7.266 -4.489 1.00 4.13 C ATOM 287 NZ LYS A 18 -11.327 7.585 -4.173 1.00 30.21 N ATOM 0 H LYS A 18 -5.452 5.348 -2.373 1.00 0.53 H new ATOM 0 HA LYS A 18 -8.344 5.073 -2.264 1.00 42.45 H new ATOM 0 HB2 LYS A 18 -6.294 5.741 -4.418 1.00 41.00 H new ATOM 0 HB3 LYS A 18 -7.996 5.540 -4.786 1.00 41.00 H new ATOM 0 HG2 LYS A 18 -6.898 7.591 -2.855 1.00 3.32 H new ATOM 0 HG3 LYS A 18 -7.255 7.904 -4.542 1.00 3.32 H new ATOM 0 HD2 LYS A 18 -9.282 6.963 -2.465 1.00 35.15 H new ATOM 0 HD3 LYS A 18 -9.110 8.613 -3.031 1.00 35.15 H new ATOM 0 HE2 LYS A 18 -9.613 7.838 -5.362 1.00 4.13 H new ATOM 0 HE3 LYS A 18 -9.846 6.211 -4.753 1.00 4.13 H new ATOM 0 HZ1 LYS A 18 -11.927 7.364 -4.993 1.00 30.21 H new ATOM 0 HZ2 LYS A 18 -11.636 7.021 -3.356 1.00 30.21 H new ATOM 0 HZ3 LYS A 18 -11.410 8.597 -3.946 1.00 30.21 H new ATOM 301 N LYS A 19 -6.317 2.921 -3.603 1.00 23.32 N ATOM 302 CA LYS A 19 -6.169 1.672 -4.279 1.00 73.14 C ATOM 303 C LYS A 19 -4.875 1.013 -3.854 1.00 33.22 C ATOM 304 O LYS A 19 -3.855 1.700 -3.653 1.00 14.14 O ATOM 305 CB LYS A 19 -6.135 1.927 -5.784 1.00 12.53 C ATOM 306 CG LYS A 19 -5.966 0.685 -6.612 1.00 1.32 C ATOM 307 CD LYS A 19 -5.871 0.992 -8.096 1.00 61.40 C ATOM 308 CE LYS A 19 -7.132 1.645 -8.635 1.00 30.14 C ATOM 309 NZ LYS A 19 -7.030 1.897 -10.080 1.00 14.21 N ATOM 0 H LYS A 19 -5.438 3.327 -3.282 1.00 23.32 H new ATOM 0 HA LYS A 19 -7.004 1.018 -4.029 1.00 73.14 H new ATOM 0 HB2 LYS A 19 -7.059 2.424 -6.079 1.00 12.53 H new ATOM 0 HB3 LYS A 19 -5.318 2.614 -6.007 1.00 12.53 H new ATOM 0 HG2 LYS A 19 -5.066 0.158 -6.294 1.00 1.32 H new ATOM 0 HG3 LYS A 19 -6.807 0.015 -6.435 1.00 1.32 H new ATOM 0 HD2 LYS A 19 -5.020 1.650 -8.274 1.00 61.40 H new ATOM 0 HD3 LYS A 19 -5.681 0.069 -8.644 1.00 61.40 H new ATOM 0 HE2 LYS A 19 -7.990 1.003 -8.436 1.00 30.14 H new ATOM 0 HE3 LYS A 19 -7.309 2.585 -8.112 1.00 30.14 H new ATOM 0 HZ1 LYS A 19 -7.907 2.343 -10.417 1.00 14.21 H new ATOM 0 HZ2 LYS A 19 -6.226 2.529 -10.266 1.00 14.21 H new ATOM 0 HZ3 LYS A 19 -6.885 0.997 -10.580 1.00 14.21 H new ATOM 323 N LEU A 20 -4.920 -0.288 -3.712 1.00 65.23 N ATOM 324 CA LEU A 20 -3.778 -1.084 -3.352 1.00 0.21 C ATOM 325 C LEU A 20 -3.628 -2.167 -4.424 1.00 30.02 C ATOM 326 O LEU A 20 -4.564 -2.943 -4.657 1.00 15.33 O ATOM 327 CB LEU A 20 -4.057 -1.708 -1.944 1.00 22.52 C ATOM 328 CG LEU A 20 -2.946 -2.520 -1.213 1.00 64.44 C ATOM 329 CD1 LEU A 20 -3.415 -2.851 0.195 1.00 34.02 C ATOM 330 CD2 LEU A 20 -2.609 -3.821 -1.936 1.00 63.30 C ATOM 0 H LEU A 20 -5.771 -0.833 -3.847 1.00 65.23 H new ATOM 0 HA LEU A 20 -2.858 -0.503 -3.298 1.00 0.21 H new ATOM 0 HB2 LEU A 20 -4.351 -0.894 -1.282 1.00 22.52 H new ATOM 0 HB3 LEU A 20 -4.922 -2.363 -2.046 1.00 22.52 H new ATOM 0 HG LEU A 20 -2.047 -1.904 -1.194 1.00 64.44 H new ATOM 0 HD11 LEU A 20 -2.642 -3.419 0.712 1.00 34.02 H new ATOM 0 HD12 LEU A 20 -3.612 -1.927 0.740 1.00 34.02 H new ATOM 0 HD13 LEU A 20 -4.328 -3.444 0.144 1.00 34.02 H new ATOM 0 HD21 LEU A 20 -1.830 -4.351 -1.388 1.00 63.30 H new ATOM 0 HD22 LEU A 20 -3.500 -4.446 -1.995 1.00 63.30 H new ATOM 0 HD23 LEU A 20 -2.256 -3.597 -2.943 1.00 63.30 H new ATOM 342 N GLU A 21 -2.487 -2.218 -5.081 1.00 32.34 N ATOM 343 CA GLU A 21 -2.241 -3.245 -6.087 1.00 54.22 C ATOM 344 C GLU A 21 -0.951 -3.928 -5.765 1.00 12.14 C ATOM 345 O GLU A 21 0.044 -3.258 -5.531 1.00 13.40 O ATOM 346 CB GLU A 21 -2.104 -2.629 -7.490 1.00 22.04 C ATOM 347 CG GLU A 21 -3.312 -1.864 -7.989 1.00 72.32 C ATOM 348 CD GLU A 21 -3.097 -1.317 -9.379 1.00 60.23 C ATOM 349 OE1 GLU A 21 -3.342 -2.050 -10.368 1.00 11.45 O ATOM 350 OE2 GLU A 21 -2.687 -0.159 -9.522 1.00 12.22 O ATOM 0 H GLU A 21 -1.715 -1.566 -4.941 1.00 32.34 H new ATOM 0 HA GLU A 21 -3.081 -3.939 -6.080 1.00 54.22 H new ATOM 0 HB2 GLU A 21 -1.245 -1.957 -7.490 1.00 22.04 H new ATOM 0 HB3 GLU A 21 -1.884 -3.428 -8.198 1.00 22.04 H new ATOM 0 HG2 GLU A 21 -4.183 -2.520 -7.988 1.00 72.32 H new ATOM 0 HG3 GLU A 21 -3.530 -1.043 -7.306 1.00 72.32 H new ATOM 357 N MET A 22 -0.924 -5.238 -5.735 1.00 12.44 N ATOM 358 CA MET A 22 0.333 -5.871 -5.530 1.00 22.30 C ATOM 359 C MET A 22 0.844 -6.381 -6.852 1.00 23.04 C ATOM 360 O MET A 22 0.294 -7.327 -7.436 1.00 34.54 O ATOM 361 CB MET A 22 0.232 -7.017 -4.524 1.00 64.34 C ATOM 362 CG MET A 22 -0.284 -6.618 -3.152 1.00 14.42 C ATOM 363 SD MET A 22 -0.232 -7.978 -1.953 1.00 4.51 S ATOM 364 CE MET A 22 -1.198 -9.233 -2.798 1.00 15.20 C ATOM 0 H MET A 22 -1.728 -5.856 -5.846 1.00 12.44 H new ATOM 0 HA MET A 22 1.027 -5.139 -5.117 1.00 22.30 H new ATOM 0 HB2 MET A 22 -0.424 -7.785 -4.934 1.00 64.34 H new ATOM 0 HB3 MET A 22 1.217 -7.468 -4.409 1.00 64.34 H new ATOM 0 HG2 MET A 22 0.309 -5.785 -2.775 1.00 14.42 H new ATOM 0 HG3 MET A 22 -1.310 -6.262 -3.245 1.00 14.42 H new ATOM 0 HE1 MET A 22 -1.508 -9.996 -2.084 1.00 15.20 H new ATOM 0 HE2 MET A 22 -2.080 -8.774 -3.245 1.00 15.20 H new ATOM 0 HE3 MET A 22 -0.593 -9.693 -3.580 1.00 15.20 H new ATOM 374 N LYS A 23 1.871 -5.737 -7.316 1.00 71.21 N ATOM 375 CA LYS A 23 2.571 -6.055 -8.520 1.00 54.41 C ATOM 376 C LYS A 23 3.930 -5.387 -8.493 1.00 63.10 C ATOM 377 O LYS A 23 4.025 -4.226 -8.101 1.00 1.35 O ATOM 378 CB LYS A 23 1.719 -5.813 -9.816 1.00 74.02 C ATOM 379 CG LYS A 23 0.991 -4.459 -9.978 1.00 2.34 C ATOM 380 CD LYS A 23 1.895 -3.286 -10.322 1.00 73.55 C ATOM 381 CE LYS A 23 1.050 -2.026 -10.528 1.00 31.13 C ATOM 382 NZ LYS A 23 1.849 -0.860 -10.964 1.00 21.51 N ATOM 0 H LYS A 23 2.265 -4.928 -6.835 1.00 71.21 H new ATOM 0 HA LYS A 23 2.749 -7.129 -8.566 1.00 54.41 H new ATOM 0 HB2 LYS A 23 2.378 -5.940 -10.675 1.00 74.02 H new ATOM 0 HB3 LYS A 23 0.969 -6.602 -9.871 1.00 74.02 H new ATOM 0 HG2 LYS A 23 0.237 -4.559 -10.758 1.00 2.34 H new ATOM 0 HG3 LYS A 23 0.463 -4.233 -9.051 1.00 2.34 H new ATOM 0 HD2 LYS A 23 2.617 -3.124 -9.522 1.00 73.55 H new ATOM 0 HD3 LYS A 23 2.464 -3.506 -11.225 1.00 73.55 H new ATOM 0 HE2 LYS A 23 0.279 -2.230 -11.271 1.00 31.13 H new ATOM 0 HE3 LYS A 23 0.539 -1.782 -9.597 1.00 31.13 H new ATOM 0 HZ1 LYS A 23 1.296 0.010 -10.828 1.00 21.51 H new ATOM 0 HZ2 LYS A 23 2.722 -0.807 -10.401 1.00 21.51 H new ATOM 0 HZ3 LYS A 23 2.092 -0.962 -11.970 1.00 21.51 H new ATOM 396 N PRO A 24 5.007 -6.088 -8.852 1.00 51.10 N ATOM 397 CA PRO A 24 6.337 -5.523 -8.775 1.00 53.10 C ATOM 398 C PRO A 24 6.552 -4.406 -9.786 1.00 75.01 C ATOM 399 O PRO A 24 6.399 -4.602 -11.003 1.00 3.32 O ATOM 400 CB PRO A 24 7.255 -6.711 -9.056 1.00 33.33 C ATOM 401 CG PRO A 24 6.432 -7.620 -9.884 1.00 23.51 C ATOM 402 CD PRO A 24 5.021 -7.468 -9.382 1.00 31.22 C ATOM 0 HA PRO A 24 6.527 -5.057 -7.808 1.00 53.10 H new ATOM 0 HB2 PRO A 24 8.157 -6.401 -9.583 1.00 33.33 H new ATOM 0 HB3 PRO A 24 7.575 -7.194 -8.133 1.00 33.33 H new ATOM 0 HG2 PRO A 24 6.502 -7.358 -10.940 1.00 23.51 H new ATOM 0 HG3 PRO A 24 6.772 -8.651 -9.789 1.00 23.51 H new ATOM 0 HD2 PRO A 24 4.291 -7.602 -10.181 1.00 31.22 H new ATOM 0 HD3 PRO A 24 4.786 -8.200 -8.609 1.00 31.22 H new ATOM 410 N LYS A 25 6.877 -3.225 -9.271 1.00 74.51 N ATOM 411 CA LYS A 25 7.159 -2.084 -10.102 1.00 23.44 C ATOM 412 C LYS A 25 8.494 -2.286 -10.823 1.00 22.53 C ATOM 413 O LYS A 25 8.766 -1.686 -11.860 1.00 5.14 O ATOM 414 CB LYS A 25 7.155 -0.824 -9.264 1.00 1.12 C ATOM 415 CG LYS A 25 7.303 0.446 -10.068 1.00 50.02 C ATOM 416 CD LYS A 25 6.968 1.628 -9.221 1.00 32.15 C ATOM 417 CE LYS A 25 7.093 2.926 -9.994 1.00 50.54 C ATOM 418 NZ LYS A 25 6.690 4.088 -9.180 1.00 15.24 N ATOM 0 H LYS A 25 6.949 -3.043 -8.270 1.00 74.51 H new ATOM 0 HA LYS A 25 6.384 -1.978 -10.861 1.00 23.44 H new ATOM 0 HB2 LYS A 25 6.224 -0.778 -8.699 1.00 1.12 H new ATOM 0 HB3 LYS A 25 7.966 -0.880 -8.538 1.00 1.12 H new ATOM 0 HG2 LYS A 25 8.323 0.533 -10.441 1.00 50.02 H new ATOM 0 HG3 LYS A 25 6.647 0.414 -10.938 1.00 50.02 H new ATOM 0 HD2 LYS A 25 5.951 1.527 -8.841 1.00 32.15 H new ATOM 0 HD3 LYS A 25 7.630 1.655 -8.356 1.00 32.15 H new ATOM 0 HE2 LYS A 25 8.123 3.054 -10.326 1.00 50.54 H new ATOM 0 HE3 LYS A 25 6.474 2.877 -10.890 1.00 50.54 H new ATOM 0 HZ1 LYS A 25 6.789 4.957 -9.743 1.00 15.24 H new ATOM 0 HZ2 LYS A 25 5.699 3.978 -8.885 1.00 15.24 H new ATOM 0 HZ3 LYS A 25 7.297 4.150 -8.338 1.00 15.24 H new ATOM 432 N TYR A 26 9.314 -3.156 -10.263 1.00 42.12 N ATOM 433 CA TYR A 26 10.540 -3.561 -10.881 1.00 15.13 C ATOM 434 C TYR A 26 10.550 -5.074 -10.922 1.00 24.31 C ATOM 435 O TYR A 26 10.302 -5.710 -9.906 1.00 51.35 O ATOM 436 CB TYR A 26 11.792 -3.011 -10.130 1.00 1.43 C ATOM 437 CG TYR A 26 11.942 -1.510 -10.181 1.00 54.33 C ATOM 438 CD1 TYR A 26 11.253 -0.681 -9.301 1.00 23.41 C ATOM 439 CD2 TYR A 26 12.777 -0.925 -11.121 1.00 54.13 C ATOM 440 CE1 TYR A 26 11.392 0.691 -9.355 1.00 3.41 C ATOM 441 CE2 TYR A 26 12.926 0.453 -11.185 1.00 71.44 C ATOM 442 CZ TYR A 26 12.227 1.257 -10.296 1.00 55.41 C ATOM 443 OH TYR A 26 12.364 2.637 -10.350 1.00 12.14 O ATOM 0 H TYR A 26 9.137 -3.598 -9.361 1.00 42.12 H new ATOM 0 HA TYR A 26 10.594 -3.147 -11.888 1.00 15.13 H new ATOM 0 HB2 TYR A 26 11.741 -3.323 -9.087 1.00 1.43 H new ATOM 0 HB3 TYR A 26 12.685 -3.468 -10.556 1.00 1.43 H new ATOM 0 HD1 TYR A 26 10.598 -1.119 -8.563 1.00 23.41 H new ATOM 0 HD2 TYR A 26 13.319 -1.551 -11.814 1.00 54.13 H new ATOM 0 HE1 TYR A 26 10.849 1.319 -8.664 1.00 3.41 H new ATOM 0 HE2 TYR A 26 13.581 0.896 -11.921 1.00 71.44 H new ATOM 0 HH TYR A 26 12.988 2.876 -11.066 1.00 12.14 H new ATOM 453 N PRO A 27 10.789 -5.686 -12.099 1.00 53.02 N ATOM 454 CA PRO A 27 10.836 -7.164 -12.239 1.00 53.45 C ATOM 455 C PRO A 27 11.924 -7.765 -11.348 1.00 61.10 C ATOM 456 O PRO A 27 11.861 -8.922 -10.940 1.00 1.03 O ATOM 457 CB PRO A 27 11.195 -7.370 -13.716 1.00 24.53 C ATOM 458 CG PRO A 27 10.764 -6.116 -14.389 1.00 51.33 C ATOM 459 CD PRO A 27 11.000 -5.014 -13.399 1.00 53.22 C ATOM 0 HA PRO A 27 9.901 -7.642 -11.946 1.00 53.45 H new ATOM 0 HB2 PRO A 27 12.264 -7.540 -13.843 1.00 24.53 H new ATOM 0 HB3 PRO A 27 10.682 -8.238 -14.131 1.00 24.53 H new ATOM 0 HG2 PRO A 27 11.334 -5.948 -15.303 1.00 51.33 H new ATOM 0 HG3 PRO A 27 9.713 -6.167 -14.673 1.00 51.33 H new ATOM 0 HD2 PRO A 27 12.007 -4.604 -13.483 1.00 53.22 H new ATOM 0 HD3 PRO A 27 10.306 -4.186 -13.543 1.00 53.22 H new ATOM 467 N HIS A 28 12.894 -6.936 -11.018 1.00 34.25 N ATOM 468 CA HIS A 28 14.006 -7.326 -10.173 1.00 62.22 C ATOM 469 C HIS A 28 13.655 -7.117 -8.674 1.00 3.10 C ATOM 470 O HIS A 28 14.536 -6.995 -7.835 1.00 1.21 O ATOM 471 CB HIS A 28 15.305 -6.544 -10.564 1.00 4.34 C ATOM 472 CG HIS A 28 15.270 -5.054 -10.330 1.00 11.43 C ATOM 473 ND1 HIS A 28 15.622 -4.499 -9.141 1.00 23.20 N ATOM 474 CD2 HIS A 28 14.924 -4.010 -11.132 1.00 24.31 C ATOM 475 CE1 HIS A 28 15.489 -3.204 -9.211 1.00 40.35 C ATOM 476 NE2 HIS A 28 15.082 -2.881 -10.402 1.00 24.23 N ATOM 0 H HIS A 28 12.933 -5.966 -11.331 1.00 34.25 H new ATOM 0 HA HIS A 28 14.198 -8.388 -10.329 1.00 62.22 H new ATOM 0 HB2 HIS A 28 16.141 -6.961 -10.002 1.00 4.34 H new ATOM 0 HB3 HIS A 28 15.510 -6.722 -11.620 1.00 4.34 H new ATOM 0 HD2 HIS A 28 14.587 -4.071 -12.156 1.00 24.31 H new ATOM 0 HE1 HIS A 28 15.686 -2.510 -8.407 1.00 40.35 H new ATOM 0 HE2 HIS A 28 14.910 -1.932 -10.733 1.00 24.23 H new ATOM 485 N CYS A 29 12.372 -7.137 -8.358 1.00 3.44 N ATOM 486 CA CYS A 29 11.897 -6.981 -6.986 1.00 74.23 C ATOM 487 C CYS A 29 11.372 -8.299 -6.462 1.00 23.01 C ATOM 488 O CYS A 29 10.939 -9.166 -7.241 1.00 34.11 O ATOM 489 CB CYS A 29 10.778 -5.916 -6.883 1.00 1.32 C ATOM 490 SG CYS A 29 11.245 -4.134 -6.932 1.00 65.01 S ATOM 0 H CYS A 29 11.626 -7.262 -9.043 1.00 3.44 H new ATOM 0 HA CYS A 29 12.745 -6.650 -6.386 1.00 74.23 H new ATOM 0 HB2 CYS A 29 10.075 -6.096 -7.696 1.00 1.32 H new ATOM 0 HB3 CYS A 29 10.240 -6.091 -5.951 1.00 1.32 H new ATOM 495 N GLU A 30 11.423 -8.456 -5.149 1.00 43.32 N ATOM 496 CA GLU A 30 10.988 -9.647 -4.490 1.00 72.44 C ATOM 497 C GLU A 30 9.488 -9.597 -4.355 1.00 62.32 C ATOM 498 O GLU A 30 8.956 -8.585 -3.881 1.00 13.13 O ATOM 499 CB GLU A 30 11.544 -9.626 -3.081 1.00 20.12 C ATOM 500 CG GLU A 30 13.007 -9.436 -2.967 1.00 2.13 C ATOM 501 CD GLU A 30 13.398 -9.156 -1.543 1.00 65.52 C ATOM 502 OE1 GLU A 30 13.330 -7.975 -1.128 1.00 32.42 O ATOM 503 OE2 GLU A 30 13.744 -10.107 -0.806 1.00 42.43 O ATOM 0 H GLU A 30 11.776 -7.740 -4.514 1.00 43.32 H new ATOM 0 HA GLU A 30 11.311 -10.526 -5.048 1.00 72.44 H new ATOM 0 HB2 GLU A 30 11.049 -8.828 -2.528 1.00 20.12 H new ATOM 0 HB3 GLU A 30 11.280 -10.564 -2.593 1.00 20.12 H new ATOM 0 HG2 GLU A 30 13.523 -10.328 -3.322 1.00 2.13 H new ATOM 0 HG3 GLU A 30 13.322 -8.610 -3.605 1.00 2.13 H new ATOM 510 N GLU A 31 8.818 -10.677 -4.741 1.00 3.33 N ATOM 511 CA GLU A 31 7.375 -10.827 -4.551 1.00 72.41 C ATOM 512 C GLU A 31 6.581 -9.663 -5.258 1.00 23.34 C ATOM 513 O GLU A 31 7.147 -8.900 -6.059 1.00 13.03 O ATOM 514 CB GLU A 31 7.114 -10.957 -3.012 1.00 74.23 C ATOM 515 CG GLU A 31 5.693 -11.242 -2.566 1.00 61.33 C ATOM 516 CD GLU A 31 5.629 -11.661 -1.114 1.00 63.04 C ATOM 517 OE1 GLU A 31 5.773 -10.811 -0.217 1.00 42.23 O ATOM 518 OE2 GLU A 31 5.455 -12.868 -0.850 1.00 41.01 O ATOM 0 H GLU A 31 9.259 -11.477 -5.196 1.00 3.33 H new ATOM 0 HA GLU A 31 6.999 -11.730 -5.032 1.00 72.41 H new ATOM 0 HB2 GLU A 31 7.753 -11.752 -2.628 1.00 74.23 H new ATOM 0 HB3 GLU A 31 7.437 -10.031 -2.536 1.00 74.23 H new ATOM 0 HG2 GLU A 31 5.081 -10.352 -2.714 1.00 61.33 H new ATOM 0 HG3 GLU A 31 5.268 -12.029 -3.190 1.00 61.33 H new ATOM 525 N LYS A 32 5.303 -9.573 -5.028 1.00 75.33 N ATOM 526 CA LYS A 32 4.498 -8.531 -5.624 1.00 53.11 C ATOM 527 C LYS A 32 4.502 -7.314 -4.764 1.00 62.21 C ATOM 528 O LYS A 32 3.897 -7.295 -3.696 1.00 13.11 O ATOM 529 CB LYS A 32 3.061 -8.998 -5.918 1.00 72.53 C ATOM 530 CG LYS A 32 2.894 -9.898 -7.145 1.00 11.33 C ATOM 531 CD LYS A 32 3.794 -11.107 -7.096 1.00 54.23 C ATOM 532 CE LYS A 32 3.531 -12.053 -8.257 1.00 25.31 C ATOM 533 NZ LYS A 32 2.158 -12.619 -8.216 1.00 44.32 N ATOM 0 H LYS A 32 4.786 -10.214 -4.426 1.00 75.33 H new ATOM 0 HA LYS A 32 4.948 -8.281 -6.585 1.00 53.11 H new ATOM 0 HB2 LYS A 32 2.686 -9.532 -5.045 1.00 72.53 H new ATOM 0 HB3 LYS A 32 2.432 -8.118 -6.048 1.00 72.53 H new ATOM 0 HG2 LYS A 32 1.856 -10.223 -7.215 1.00 11.33 H new ATOM 0 HG3 LYS A 32 3.110 -9.324 -8.046 1.00 11.33 H new ATOM 0 HD2 LYS A 32 4.835 -10.786 -7.117 1.00 54.23 H new ATOM 0 HD3 LYS A 32 3.642 -11.635 -6.155 1.00 54.23 H new ATOM 0 HE2 LYS A 32 3.676 -11.521 -9.197 1.00 25.31 H new ATOM 0 HE3 LYS A 32 4.258 -12.865 -8.235 1.00 25.31 H new ATOM 0 HZ1 LYS A 32 2.100 -13.435 -8.858 1.00 44.32 H new ATOM 0 HZ2 LYS A 32 1.937 -12.924 -7.247 1.00 44.32 H new ATOM 0 HZ3 LYS A 32 1.475 -11.894 -8.515 1.00 44.32 H new ATOM 547 N MET A 33 5.206 -6.309 -5.231 1.00 10.40 N ATOM 548 CA MET A 33 5.344 -5.049 -4.531 1.00 44.02 C ATOM 549 C MET A 33 3.998 -4.402 -4.358 1.00 42.01 C ATOM 550 O MET A 33 3.097 -4.597 -5.170 1.00 54.14 O ATOM 551 CB MET A 33 6.254 -4.110 -5.315 1.00 23.21 C ATOM 552 CG MET A 33 7.668 -4.637 -5.539 1.00 52.41 C ATOM 553 SD MET A 33 8.590 -4.874 -4.008 1.00 41.43 S ATOM 554 CE MET A 33 8.509 -3.220 -3.368 1.00 60.51 C ATOM 0 H MET A 33 5.706 -6.342 -6.119 1.00 10.40 H new ATOM 0 HA MET A 33 5.781 -5.244 -3.552 1.00 44.02 H new ATOM 0 HB2 MET A 33 5.798 -3.908 -6.284 1.00 23.21 H new ATOM 0 HB3 MET A 33 6.314 -3.158 -4.787 1.00 23.21 H new ATOM 0 HG2 MET A 33 7.615 -5.585 -6.074 1.00 52.41 H new ATOM 0 HG3 MET A 33 8.211 -3.941 -6.178 1.00 52.41 H new ATOM 0 HE1 MET A 33 9.298 -3.076 -2.630 1.00 60.51 H new ATOM 0 HE2 MET A 33 8.640 -2.508 -4.183 1.00 60.51 H new ATOM 0 HE3 MET A 33 7.539 -3.059 -2.897 1.00 60.51 H new ATOM 564 N VAL A 34 3.866 -3.622 -3.348 1.00 44.14 N ATOM 565 CA VAL A 34 2.608 -3.017 -3.064 1.00 34.52 C ATOM 566 C VAL A 34 2.570 -1.613 -3.599 1.00 3.52 C ATOM 567 O VAL A 34 3.349 -0.755 -3.185 1.00 32.44 O ATOM 568 CB VAL A 34 2.314 -2.995 -1.563 1.00 42.54 C ATOM 569 CG1 VAL A 34 0.948 -2.395 -1.306 1.00 54.55 C ATOM 570 CG2 VAL A 34 2.408 -4.390 -0.978 1.00 51.44 C ATOM 0 H VAL A 34 4.615 -3.384 -2.698 1.00 44.14 H new ATOM 0 HA VAL A 34 1.843 -3.619 -3.554 1.00 34.52 H new ATOM 0 HB VAL A 34 3.062 -2.373 -1.072 1.00 42.54 H new ATOM 0 HG11 VAL A 34 0.751 -2.385 -0.234 1.00 54.55 H new ATOM 0 HG12 VAL A 34 0.921 -1.375 -1.689 1.00 54.55 H new ATOM 0 HG13 VAL A 34 0.188 -2.992 -1.809 1.00 54.55 H new ATOM 0 HG21 VAL A 34 2.195 -4.352 0.090 1.00 51.44 H new ATOM 0 HG22 VAL A 34 1.684 -5.040 -1.469 1.00 51.44 H new ATOM 0 HG23 VAL A 34 3.413 -4.783 -1.134 1.00 51.44 H new ATOM 580 N ILE A 35 1.692 -1.392 -4.516 1.00 30.42 N ATOM 581 CA ILE A 35 1.506 -0.106 -5.087 1.00 33.11 C ATOM 582 C ILE A 35 0.331 0.545 -4.387 1.00 45.55 C ATOM 583 O ILE A 35 -0.798 0.036 -4.433 1.00 11.21 O ATOM 584 CB ILE A 35 1.212 -0.202 -6.595 1.00 21.13 C ATOM 585 CG1 ILE A 35 2.293 -1.024 -7.321 1.00 50.14 C ATOM 586 CG2 ILE A 35 1.104 1.186 -7.190 1.00 70.43 C ATOM 587 CD1 ILE A 35 3.710 -0.465 -7.229 1.00 63.30 C ATOM 0 H ILE A 35 1.075 -2.111 -4.894 1.00 30.42 H new ATOM 0 HA ILE A 35 2.416 0.481 -4.962 1.00 33.11 H new ATOM 0 HB ILE A 35 0.261 -0.718 -6.728 1.00 21.13 H new ATOM 0 HG12 ILE A 35 2.292 -2.035 -6.913 1.00 50.14 H new ATOM 0 HG13 ILE A 35 2.019 -1.104 -8.373 1.00 50.14 H new ATOM 0 HG21 ILE A 35 0.896 1.109 -8.257 1.00 70.43 H new ATOM 0 HG22 ILE A 35 0.296 1.730 -6.701 1.00 70.43 H new ATOM 0 HG23 ILE A 35 2.043 1.720 -7.041 1.00 70.43 H new ATOM 0 HD11 ILE A 35 4.394 -1.117 -7.772 1.00 63.30 H new ATOM 0 HD12 ILE A 35 3.736 0.533 -7.666 1.00 63.30 H new ATOM 0 HD13 ILE A 35 4.013 -0.412 -6.183 1.00 63.30 H new ATOM 599 N ILE A 36 0.595 1.629 -3.736 1.00 61.52 N ATOM 600 CA ILE A 36 -0.408 2.336 -2.985 1.00 31.32 C ATOM 601 C ILE A 36 -0.732 3.661 -3.642 1.00 53.40 C ATOM 602 O ILE A 36 0.119 4.533 -3.753 1.00 14.43 O ATOM 603 CB ILE A 36 0.061 2.571 -1.527 1.00 11.30 C ATOM 604 CG1 ILE A 36 0.206 1.241 -0.769 1.00 21.25 C ATOM 605 CG2 ILE A 36 -0.866 3.519 -0.786 1.00 12.33 C ATOM 606 CD1 ILE A 36 -1.093 0.484 -0.581 1.00 42.44 C ATOM 0 H ILE A 36 1.519 2.059 -3.705 1.00 61.52 H new ATOM 0 HA ILE A 36 -1.309 1.722 -2.968 1.00 31.32 H new ATOM 0 HB ILE A 36 1.043 3.042 -1.575 1.00 11.30 H new ATOM 0 HG12 ILE A 36 0.909 0.605 -1.307 1.00 21.25 H new ATOM 0 HG13 ILE A 36 0.641 1.440 0.210 1.00 21.25 H new ATOM 0 HG21 ILE A 36 -0.505 3.659 0.233 1.00 12.33 H new ATOM 0 HG22 ILE A 36 -0.888 4.481 -1.299 1.00 12.33 H new ATOM 0 HG23 ILE A 36 -1.871 3.098 -0.760 1.00 12.33 H new ATOM 0 HD11 ILE A 36 -0.900 -0.441 -0.038 1.00 42.44 H new ATOM 0 HD12 ILE A 36 -1.793 1.098 -0.015 1.00 42.44 H new ATOM 0 HD13 ILE A 36 -1.522 0.250 -1.555 1.00 42.44 H new ATOM 618 N THR A 37 -1.949 3.817 -4.049 1.00 45.20 N ATOM 619 CA THR A 37 -2.376 5.024 -4.694 1.00 4.52 C ATOM 620 C THR A 37 -3.008 5.948 -3.653 1.00 13.11 C ATOM 621 O THR A 37 -3.903 5.533 -2.928 1.00 3.43 O ATOM 622 CB THR A 37 -3.405 4.672 -5.778 1.00 55.24 C ATOM 623 OG1 THR A 37 -2.820 3.718 -6.675 1.00 42.13 O ATOM 624 CG2 THR A 37 -3.835 5.906 -6.556 1.00 55.02 C ATOM 0 H THR A 37 -2.679 3.113 -3.945 1.00 45.20 H new ATOM 0 HA THR A 37 -1.526 5.529 -5.154 1.00 4.52 H new ATOM 0 HB THR A 37 -4.290 4.254 -5.298 1.00 55.24 H new ATOM 0 HG1 THR A 37 -3.468 3.484 -7.372 1.00 42.13 H new ATOM 0 HG21 THR A 37 -4.564 5.622 -7.315 1.00 55.02 H new ATOM 0 HG22 THR A 37 -4.284 6.628 -5.874 1.00 55.02 H new ATOM 0 HG23 THR A 37 -2.966 6.354 -7.037 1.00 55.02 H new ATOM 632 N THR A 38 -2.523 7.176 -3.567 1.00 45.22 N ATOM 633 CA THR A 38 -3.028 8.127 -2.594 1.00 10.13 C ATOM 634 C THR A 38 -4.202 8.934 -3.168 1.00 0.03 C ATOM 635 O THR A 38 -4.386 8.965 -4.395 1.00 31.44 O ATOM 636 CB THR A 38 -1.892 9.039 -2.075 1.00 5.11 C ATOM 637 OG1 THR A 38 -1.170 9.643 -3.180 1.00 34.10 O ATOM 638 CG2 THR A 38 -0.928 8.234 -1.220 1.00 10.44 C ATOM 0 H THR A 38 -1.778 7.537 -4.162 1.00 45.22 H new ATOM 0 HA THR A 38 -3.412 7.572 -1.738 1.00 10.13 H new ATOM 0 HB THR A 38 -2.339 9.831 -1.474 1.00 5.11 H new ATOM 0 HG1 THR A 38 -0.565 8.982 -3.576 1.00 34.10 H new ATOM 0 HG21 THR A 38 -0.131 8.885 -0.859 1.00 10.44 H new ATOM 0 HG22 THR A 38 -1.463 7.809 -0.370 1.00 10.44 H new ATOM 0 HG23 THR A 38 -0.497 7.430 -1.816 1.00 10.44 H new ATOM 646 N LYS A 39 -5.011 9.569 -2.297 1.00 23.44 N ATOM 647 CA LYS A 39 -6.204 10.281 -2.784 1.00 61.51 C ATOM 648 C LYS A 39 -5.844 11.552 -3.542 1.00 53.42 C ATOM 649 O LYS A 39 -6.293 11.735 -4.682 1.00 74.23 O ATOM 650 CB LYS A 39 -7.158 10.655 -1.628 1.00 2.50 C ATOM 651 CG LYS A 39 -7.641 9.500 -0.762 1.00 12.41 C ATOM 652 CD LYS A 39 -8.709 9.956 0.238 1.00 43.52 C ATOM 653 CE LYS A 39 -8.169 10.966 1.235 1.00 23.30 C ATOM 654 NZ LYS A 39 -9.205 11.421 2.189 1.00 5.43 N ATOM 0 H LYS A 39 -4.867 9.603 -1.288 1.00 23.44 H new ATOM 0 HA LYS A 39 -6.704 9.590 -3.462 1.00 61.51 H new ATOM 0 HB2 LYS A 39 -6.654 11.378 -0.987 1.00 2.50 H new ATOM 0 HB3 LYS A 39 -8.029 11.156 -2.050 1.00 2.50 H new ATOM 0 HG2 LYS A 39 -8.048 8.713 -1.397 1.00 12.41 H new ATOM 0 HG3 LYS A 39 -6.797 9.070 -0.223 1.00 12.41 H new ATOM 0 HD2 LYS A 39 -9.547 10.395 -0.303 1.00 43.52 H new ATOM 0 HD3 LYS A 39 -9.095 9.089 0.775 1.00 43.52 H new ATOM 0 HE2 LYS A 39 -7.340 10.522 1.786 1.00 23.30 H new ATOM 0 HE3 LYS A 39 -7.770 11.826 0.698 1.00 23.30 H new ATOM 0 HZ1 LYS A 39 -8.790 12.109 2.850 1.00 5.43 H new ATOM 0 HZ2 LYS A 39 -9.985 11.869 1.667 1.00 5.43 H new ATOM 0 HZ3 LYS A 39 -9.569 10.605 2.722 1.00 5.43 H new ATOM 668 N SER A 40 -4.986 12.391 -2.930 1.00 1.51 N ATOM 669 CA SER A 40 -4.554 13.672 -3.518 1.00 65.41 C ATOM 670 C SER A 40 -3.813 14.544 -2.502 1.00 4.33 C ATOM 671 O SER A 40 -2.795 15.145 -2.819 1.00 72.14 O ATOM 672 CB SER A 40 -5.758 14.469 -4.068 1.00 53.32 C ATOM 673 OG SER A 40 -6.764 14.626 -3.071 1.00 41.33 O ATOM 0 H SER A 40 -4.574 12.200 -2.017 1.00 1.51 H new ATOM 0 HA SER A 40 -3.875 13.422 -4.334 1.00 65.41 H new ATOM 0 HB2 SER A 40 -5.424 15.448 -4.411 1.00 53.32 H new ATOM 0 HB3 SER A 40 -6.175 13.954 -4.933 1.00 53.32 H new ATOM 0 HG SER A 40 -7.515 15.135 -3.442 1.00 41.33 H new ATOM 679 N VAL A 41 -4.318 14.595 -1.282 1.00 53.24 N ATOM 680 CA VAL A 41 -3.776 15.504 -0.267 1.00 52.43 C ATOM 681 C VAL A 41 -2.520 14.970 0.419 1.00 45.41 C ATOM 682 O VAL A 41 -1.888 15.670 1.224 1.00 64.12 O ATOM 683 CB VAL A 41 -4.843 15.918 0.775 1.00 31.45 C ATOM 684 CG1 VAL A 41 -5.990 16.640 0.088 1.00 4.32 C ATOM 685 CG2 VAL A 41 -5.364 14.715 1.539 1.00 34.14 C ATOM 0 H VAL A 41 -5.100 14.023 -0.963 1.00 53.24 H new ATOM 0 HA VAL A 41 -3.475 16.397 -0.814 1.00 52.43 H new ATOM 0 HB VAL A 41 -4.372 16.592 1.491 1.00 31.45 H new ATOM 0 HG11 VAL A 41 -6.735 16.927 0.830 1.00 4.32 H new ATOM 0 HG12 VAL A 41 -5.612 17.532 -0.411 1.00 4.32 H new ATOM 0 HG13 VAL A 41 -6.447 15.979 -0.649 1.00 4.32 H new ATOM 0 HG21 VAL A 41 -6.112 15.040 2.263 1.00 34.14 H new ATOM 0 HG22 VAL A 41 -5.816 14.009 0.842 1.00 34.14 H new ATOM 0 HG23 VAL A 41 -4.539 14.231 2.062 1.00 34.14 H new ATOM 695 N SER A 42 -2.159 13.747 0.101 1.00 74.21 N ATOM 696 CA SER A 42 -0.954 13.139 0.616 1.00 43.21 C ATOM 697 C SER A 42 0.280 13.767 -0.081 1.00 44.35 C ATOM 698 O SER A 42 0.129 14.504 -1.067 1.00 75.24 O ATOM 699 CB SER A 42 -1.011 11.635 0.359 1.00 43.53 C ATOM 700 OG SER A 42 -2.193 11.073 0.912 1.00 2.31 O ATOM 0 H SER A 42 -2.695 13.145 -0.524 1.00 74.21 H new ATOM 0 HA SER A 42 -0.871 13.314 1.689 1.00 43.21 H new ATOM 0 HB2 SER A 42 -0.979 11.443 -0.714 1.00 43.53 H new ATOM 0 HB3 SER A 42 -0.136 11.154 0.795 1.00 43.53 H new ATOM 0 HG SER A 42 -2.124 11.063 1.890 1.00 2.31 H new ATOM 706 N ARG A 43 1.474 13.464 0.413 1.00 44.13 N ATOM 707 CA ARG A 43 2.724 14.038 -0.117 1.00 14.44 C ATOM 708 C ARG A 43 2.951 13.706 -1.587 1.00 24.23 C ATOM 709 O ARG A 43 3.570 14.482 -2.318 1.00 24.25 O ATOM 710 CB ARG A 43 3.928 13.608 0.707 1.00 12.11 C ATOM 711 CG ARG A 43 3.924 14.113 2.140 1.00 71.23 C ATOM 712 CD ARG A 43 5.140 13.614 2.894 1.00 61.42 C ATOM 713 NE ARG A 43 6.393 13.991 2.227 1.00 1.53 N ATOM 714 CZ ARG A 43 7.606 13.521 2.552 1.00 40.12 C ATOM 715 NH1 ARG A 43 7.760 12.712 3.599 1.00 63.53 N ATOM 716 NH2 ARG A 43 8.667 13.870 1.832 1.00 65.43 N ATOM 0 H ARG A 43 1.613 12.817 1.189 1.00 44.13 H new ATOM 0 HA ARG A 43 2.612 15.119 -0.040 1.00 14.44 H new ATOM 0 HB2 ARG A 43 3.974 12.519 0.719 1.00 12.11 H new ATOM 0 HB3 ARG A 43 4.834 13.960 0.214 1.00 12.11 H new ATOM 0 HG2 ARG A 43 3.910 15.203 2.145 1.00 71.23 H new ATOM 0 HG3 ARG A 43 3.017 13.780 2.644 1.00 71.23 H new ATOM 0 HD2 ARG A 43 5.131 14.020 3.906 1.00 61.42 H new ATOM 0 HD3 ARG A 43 5.090 12.529 2.985 1.00 61.42 H new ATOM 0 HE ARG A 43 6.336 14.660 1.459 1.00 1.53 H new ATOM 0 HH11 ARG A 43 6.951 12.445 4.161 1.00 63.53 H new ATOM 0 HH12 ARG A 43 8.686 12.359 3.839 1.00 63.53 H new ATOM 0 HH21 ARG A 43 8.558 14.495 1.033 1.00 65.43 H new ATOM 0 HH22 ARG A 43 9.590 13.513 2.078 1.00 65.43 H new ATOM 730 N TYR A 44 2.465 12.564 -2.015 1.00 43.13 N ATOM 731 CA TYR A 44 2.567 12.169 -3.414 1.00 55.43 C ATOM 732 C TYR A 44 1.502 12.803 -4.298 1.00 34.24 C ATOM 733 O TYR A 44 1.512 12.608 -5.503 1.00 21.44 O ATOM 734 CB TYR A 44 2.596 10.654 -3.587 1.00 61.25 C ATOM 735 CG TYR A 44 3.955 10.037 -3.372 1.00 2.15 C ATOM 736 CD1 TYR A 44 4.417 9.736 -2.114 1.00 74.45 C ATOM 737 CD2 TYR A 44 4.780 9.760 -4.455 1.00 5.12 C ATOM 738 CE1 TYR A 44 5.664 9.171 -1.927 1.00 33.24 C ATOM 739 CE2 TYR A 44 6.024 9.195 -4.278 1.00 72.45 C ATOM 740 CZ TYR A 44 6.458 8.903 -3.011 1.00 71.50 C ATOM 741 OH TYR A 44 7.695 8.334 -2.827 1.00 3.33 O ATOM 0 H TYR A 44 1.992 11.885 -1.418 1.00 43.13 H new ATOM 0 HA TYR A 44 3.526 12.560 -3.754 1.00 55.43 H new ATOM 0 HB2 TYR A 44 1.890 10.205 -2.888 1.00 61.25 H new ATOM 0 HB3 TYR A 44 2.251 10.407 -4.591 1.00 61.25 H new ATOM 0 HD1 TYR A 44 3.795 9.945 -1.256 1.00 74.45 H new ATOM 0 HD2 TYR A 44 4.440 9.992 -5.454 1.00 5.12 H new ATOM 0 HE1 TYR A 44 6.011 8.942 -0.930 1.00 33.24 H new ATOM 0 HE2 TYR A 44 6.652 8.984 -5.131 1.00 72.45 H new ATOM 0 HH TYR A 44 8.130 8.208 -3.696 1.00 3.33 H new ATOM 751 N ARG A 45 0.588 13.559 -3.698 1.00 73.13 N ATOM 752 CA ARG A 45 -0.466 14.278 -4.443 1.00 1.32 C ATOM 753 C ARG A 45 -1.321 13.355 -5.320 1.00 45.20 C ATOM 754 O ARG A 45 -1.880 13.781 -6.329 1.00 20.34 O ATOM 755 CB ARG A 45 0.139 15.413 -5.274 1.00 13.35 C ATOM 756 CG ARG A 45 0.759 16.506 -4.436 1.00 55.42 C ATOM 757 CD ARG A 45 1.321 17.616 -5.293 1.00 41.43 C ATOM 758 NE ARG A 45 1.840 18.712 -4.472 1.00 22.33 N ATOM 759 CZ ARG A 45 2.404 19.824 -4.939 1.00 23.31 C ATOM 760 NH1 ARG A 45 2.568 19.997 -6.247 1.00 41.42 N ATOM 761 NH2 ARG A 45 2.802 20.761 -4.091 1.00 33.44 N ATOM 0 H ARG A 45 0.548 13.697 -2.688 1.00 73.13 H new ATOM 0 HA ARG A 45 -1.139 14.702 -3.698 1.00 1.32 H new ATOM 0 HB2 ARG A 45 0.898 15.001 -5.940 1.00 13.35 H new ATOM 0 HB3 ARG A 45 -0.638 15.845 -5.905 1.00 13.35 H new ATOM 0 HG2 ARG A 45 0.010 16.914 -3.758 1.00 55.42 H new ATOM 0 HG3 ARG A 45 1.553 16.085 -3.819 1.00 55.42 H new ATOM 0 HD2 ARG A 45 2.118 17.223 -5.924 1.00 41.43 H new ATOM 0 HD3 ARG A 45 0.544 17.993 -5.958 1.00 41.43 H new ATOM 0 HE ARG A 45 1.763 18.616 -3.459 1.00 22.33 H new ATOM 0 HH11 ARG A 45 2.261 19.275 -6.899 1.00 41.42 H new ATOM 0 HH12 ARG A 45 3.001 20.851 -6.598 1.00 41.42 H new ATOM 0 HH21 ARG A 45 2.676 20.628 -3.088 1.00 33.44 H new ATOM 0 HH22 ARG A 45 3.235 21.615 -4.442 1.00 33.44 H new ATOM 775 N GLY A 46 -1.483 12.126 -4.895 1.00 22.21 N ATOM 776 CA GLY A 46 -2.266 11.170 -5.650 1.00 53.14 C ATOM 777 C GLY A 46 -1.403 10.224 -6.454 1.00 14.52 C ATOM 778 O GLY A 46 -1.917 9.339 -7.143 1.00 74.25 O ATOM 0 H GLY A 46 -1.084 11.761 -4.030 1.00 22.21 H new ATOM 0 HA2 GLY A 46 -2.890 10.595 -4.966 1.00 53.14 H new ATOM 0 HA3 GLY A 46 -2.938 11.705 -6.322 1.00 53.14 H new ATOM 782 N GLN A 47 -0.100 10.400 -6.356 1.00 4.10 N ATOM 783 CA GLN A 47 0.860 9.496 -6.958 1.00 35.51 C ATOM 784 C GLN A 47 1.027 8.248 -6.113 1.00 13.02 C ATOM 785 O GLN A 47 0.658 8.227 -4.910 1.00 11.25 O ATOM 786 CB GLN A 47 2.200 10.140 -7.319 1.00 64.43 C ATOM 787 CG GLN A 47 2.100 11.243 -8.363 1.00 55.11 C ATOM 788 CD GLN A 47 3.456 11.768 -8.776 1.00 61.45 C ATOM 789 OE1 GLN A 47 4.449 11.031 -8.773 1.00 1.11 O ATOM 790 NE2 GLN A 47 3.518 13.025 -9.128 1.00 22.25 N ATOM 0 H GLN A 47 0.325 11.179 -5.853 1.00 4.10 H new ATOM 0 HA GLN A 47 0.437 9.207 -7.920 1.00 35.51 H new ATOM 0 HB2 GLN A 47 2.649 10.551 -6.414 1.00 64.43 H new ATOM 0 HB3 GLN A 47 2.875 9.367 -7.687 1.00 64.43 H new ATOM 0 HG2 GLN A 47 1.578 10.863 -9.241 1.00 55.11 H new ATOM 0 HG3 GLN A 47 1.501 12.063 -7.966 1.00 55.11 H new ATOM 0 HE21 GLN A 47 2.675 13.600 -9.117 1.00 22.25 H new ATOM 0 HE22 GLN A 47 4.409 13.431 -9.414 1.00 22.25 H new ATOM 799 N GLU A 48 1.537 7.219 -6.719 1.00 22.32 N ATOM 800 CA GLU A 48 1.582 5.916 -6.124 1.00 43.55 C ATOM 801 C GLU A 48 2.857 5.687 -5.316 1.00 42.42 C ATOM 802 O GLU A 48 3.973 5.919 -5.779 1.00 3.54 O ATOM 803 CB GLU A 48 1.564 4.892 -7.236 1.00 41.30 C ATOM 804 CG GLU A 48 0.384 5.000 -8.168 1.00 14.21 C ATOM 805 CD GLU A 48 0.600 4.191 -9.410 1.00 22.13 C ATOM 806 OE1 GLU A 48 1.372 4.639 -10.278 1.00 42.24 O ATOM 807 OE2 GLU A 48 0.033 3.100 -9.538 1.00 44.14 O ATOM 0 H GLU A 48 1.940 7.261 -7.655 1.00 22.32 H new ATOM 0 HA GLU A 48 0.727 5.828 -5.453 1.00 43.55 H new ATOM 0 HB2 GLU A 48 2.480 4.990 -7.818 1.00 41.30 H new ATOM 0 HB3 GLU A 48 1.572 3.895 -6.795 1.00 41.30 H new ATOM 0 HG2 GLU A 48 -0.517 4.657 -7.660 1.00 14.21 H new ATOM 0 HG3 GLU A 48 0.222 6.044 -8.435 1.00 14.21 H new ATOM 814 N HIS A 49 2.654 5.227 -4.112 1.00 64.23 N ATOM 815 CA HIS A 49 3.710 4.770 -3.241 1.00 61.24 C ATOM 816 C HIS A 49 4.029 3.360 -3.588 1.00 50.33 C ATOM 817 O HIS A 49 3.197 2.657 -4.169 1.00 1.21 O ATOM 818 CB HIS A 49 3.285 4.752 -1.777 1.00 42.10 C ATOM 819 CG HIS A 49 3.365 6.012 -1.011 1.00 43.25 C ATOM 820 ND1 HIS A 49 4.380 6.248 -0.121 1.00 53.54 N ATOM 821 CD2 HIS A 49 2.510 7.041 -0.888 1.00 22.04 C ATOM 822 CE1 HIS A 49 4.149 7.359 0.521 1.00 52.35 C ATOM 823 NE2 HIS A 49 3.020 7.864 0.076 1.00 3.30 N ATOM 0 H HIS A 49 1.726 5.156 -3.695 1.00 64.23 H new ATOM 0 HA HIS A 49 4.552 5.450 -3.371 1.00 61.24 H new ATOM 0 HB2 HIS A 49 2.254 4.401 -1.734 1.00 42.10 H new ATOM 0 HB3 HIS A 49 3.896 4.010 -1.262 1.00 42.10 H new ATOM 0 HD2 HIS A 49 1.596 7.189 -1.444 1.00 22.04 H new ATOM 0 HE1 HIS A 49 4.777 7.790 1.287 1.00 52.35 H new ATOM 0 HE2 HIS A 49 2.593 8.732 0.399 1.00 3.30 H new ATOM 832 N CYS A 50 5.186 2.946 -3.249 1.00 40.51 N ATOM 833 CA CYS A 50 5.546 1.595 -3.416 1.00 2.52 C ATOM 834 C CYS A 50 6.030 1.109 -2.064 1.00 73.24 C ATOM 835 O CYS A 50 6.916 1.727 -1.447 1.00 2.22 O ATOM 836 CB CYS A 50 6.616 1.483 -4.494 1.00 60.22 C ATOM 837 SG CYS A 50 7.128 -0.204 -4.920 1.00 25.41 S ATOM 0 H CYS A 50 5.914 3.536 -2.846 1.00 40.51 H new ATOM 0 HA CYS A 50 4.710 0.978 -3.746 1.00 2.52 H new ATOM 0 HB2 CYS A 50 6.249 1.971 -5.397 1.00 60.22 H new ATOM 0 HB3 CYS A 50 7.495 2.038 -4.167 1.00 60.22 H new ATOM 842 N LEU A 51 5.439 0.054 -1.592 1.00 20.24 N ATOM 843 CA LEU A 51 5.736 -0.486 -0.292 1.00 41.30 C ATOM 844 C LEU A 51 6.283 -1.889 -0.465 1.00 11.04 C ATOM 845 O LEU A 51 5.802 -2.650 -1.321 1.00 51.35 O ATOM 846 CB LEU A 51 4.451 -0.460 0.577 1.00 12.50 C ATOM 847 CG LEU A 51 4.536 -0.927 2.035 1.00 74.13 C ATOM 848 CD1 LEU A 51 5.538 -0.099 2.818 1.00 53.40 C ATOM 849 CD2 LEU A 51 3.166 -0.812 2.682 1.00 11.40 C ATOM 0 H LEU A 51 4.726 -0.466 -2.103 1.00 20.24 H new ATOM 0 HA LEU A 51 6.490 0.111 0.220 1.00 41.30 H new ATOM 0 HB2 LEU A 51 4.075 0.563 0.579 1.00 12.50 H new ATOM 0 HB3 LEU A 51 3.702 -1.074 0.077 1.00 12.50 H new ATOM 0 HG LEU A 51 4.869 -1.965 2.045 1.00 74.13 H new ATOM 0 HD11 LEU A 51 5.577 -0.453 3.848 1.00 53.40 H new ATOM 0 HD12 LEU A 51 6.524 -0.196 2.364 1.00 53.40 H new ATOM 0 HD13 LEU A 51 5.234 0.948 2.805 1.00 53.40 H new ATOM 0 HD21 LEU A 51 3.224 -1.144 3.719 1.00 11.40 H new ATOM 0 HD22 LEU A 51 2.835 0.226 2.651 1.00 11.40 H new ATOM 0 HD23 LEU A 51 2.455 -1.436 2.141 1.00 11.40 H new ATOM 861 N HIS A 52 7.293 -2.217 0.301 1.00 72.23 N ATOM 862 CA HIS A 52 7.973 -3.489 0.184 1.00 51.55 C ATOM 863 C HIS A 52 7.287 -4.544 1.094 1.00 52.22 C ATOM 864 O HIS A 52 7.490 -4.556 2.297 1.00 44.31 O ATOM 865 CB HIS A 52 9.465 -3.288 0.528 1.00 74.34 C ATOM 866 CG HIS A 52 10.342 -4.460 0.257 1.00 15.10 C ATOM 867 ND1 HIS A 52 10.847 -5.253 1.240 1.00 10.15 N ATOM 868 CD2 HIS A 52 10.823 -4.965 -0.913 1.00 14.53 C ATOM 869 CE1 HIS A 52 11.584 -6.191 0.701 1.00 44.50 C ATOM 870 NE2 HIS A 52 11.592 -6.041 -0.586 1.00 32.24 N ATOM 0 H HIS A 52 7.671 -1.609 1.027 1.00 72.23 H new ATOM 0 HA HIS A 52 7.910 -3.867 -0.836 1.00 51.55 H new ATOM 0 HB2 HIS A 52 9.840 -2.435 -0.038 1.00 74.34 H new ATOM 0 HB3 HIS A 52 9.546 -3.030 1.584 1.00 74.34 H new ATOM 0 HD2 HIS A 52 10.632 -4.586 -1.906 1.00 14.53 H new ATOM 0 HE1 HIS A 52 12.103 -6.967 1.243 1.00 44.50 H new ATOM 0 HE2 HIS A 52 12.093 -6.633 -1.248 1.00 32.24 H new ATOM 879 N PRO A 53 6.506 -5.474 0.482 1.00 73.50 N ATOM 880 CA PRO A 53 5.590 -6.425 1.200 1.00 35.43 C ATOM 881 C PRO A 53 6.271 -7.579 1.906 1.00 14.42 C ATOM 882 O PRO A 53 5.626 -8.535 2.321 1.00 52.22 O ATOM 883 CB PRO A 53 4.751 -6.977 0.075 1.00 25.22 C ATOM 884 CG PRO A 53 5.653 -6.953 -1.104 1.00 1.22 C ATOM 885 CD PRO A 53 6.449 -5.696 -0.980 1.00 33.33 C ATOM 0 HA PRO A 53 5.061 -5.904 1.998 1.00 35.43 H new ATOM 0 HB2 PRO A 53 4.409 -7.989 0.293 1.00 25.22 H new ATOM 0 HB3 PRO A 53 3.862 -6.369 -0.093 1.00 25.22 H new ATOM 0 HG2 PRO A 53 6.303 -7.828 -1.117 1.00 1.22 H new ATOM 0 HG3 PRO A 53 5.083 -6.965 -2.033 1.00 1.22 H new ATOM 0 HD2 PRO A 53 7.445 -5.806 -1.410 1.00 33.33 H new ATOM 0 HD3 PRO A 53 5.970 -4.864 -1.495 1.00 33.33 H new ATOM 893 N LYS A 54 7.530 -7.481 2.053 1.00 65.43 N ATOM 894 CA LYS A 54 8.307 -8.522 2.659 1.00 65.53 C ATOM 895 C LYS A 54 8.363 -8.332 4.172 1.00 52.54 C ATOM 896 O LYS A 54 8.775 -9.224 4.909 1.00 72.31 O ATOM 897 CB LYS A 54 9.678 -8.493 2.062 1.00 71.22 C ATOM 898 CG LYS A 54 9.639 -8.595 0.547 1.00 53.32 C ATOM 899 CD LYS A 54 9.311 -9.957 0.054 1.00 40.23 C ATOM 900 CE LYS A 54 10.488 -10.887 0.209 1.00 33.14 C ATOM 901 NZ LYS A 54 10.175 -12.254 -0.231 1.00 74.53 N ATOM 0 H LYS A 54 8.074 -6.670 1.757 1.00 65.43 H new ATOM 0 HA LYS A 54 7.848 -9.493 2.470 1.00 65.53 H new ATOM 0 HB2 LYS A 54 10.180 -7.570 2.351 1.00 71.22 H new ATOM 0 HB3 LYS A 54 10.267 -9.316 2.466 1.00 71.22 H new ATOM 0 HG2 LYS A 54 8.902 -7.890 0.162 1.00 53.32 H new ATOM 0 HG3 LYS A 54 10.607 -8.295 0.145 1.00 53.32 H new ATOM 0 HD2 LYS A 54 8.457 -10.351 0.605 1.00 40.23 H new ATOM 0 HD3 LYS A 54 9.018 -9.907 -0.995 1.00 40.23 H new ATOM 0 HE2 LYS A 54 11.330 -10.505 -0.368 1.00 33.14 H new ATOM 0 HE3 LYS A 54 10.800 -10.905 1.253 1.00 33.14 H new ATOM 0 HZ1 LYS A 54 11.012 -12.859 -0.107 1.00 74.53 H new ATOM 0 HZ2 LYS A 54 9.389 -12.630 0.337 1.00 74.53 H new ATOM 0 HZ3 LYS A 54 9.903 -12.242 -1.235 1.00 74.53 H new ATOM 915 N LEU A 55 7.962 -7.156 4.616 1.00 55.11 N ATOM 916 CA LEU A 55 7.986 -6.800 6.025 1.00 24.30 C ATOM 917 C LEU A 55 6.686 -7.219 6.702 1.00 14.32 C ATOM 918 O LEU A 55 5.616 -7.112 6.109 1.00 25.42 O ATOM 919 CB LEU A 55 8.168 -5.289 6.162 1.00 33.45 C ATOM 920 CG LEU A 55 9.427 -4.706 5.525 1.00 50.31 C ATOM 921 CD1 LEU A 55 9.451 -3.194 5.677 1.00 74.55 C ATOM 922 CD2 LEU A 55 10.670 -5.327 6.140 1.00 4.21 C ATOM 0 H LEU A 55 7.609 -6.417 4.008 1.00 55.11 H new ATOM 0 HA LEU A 55 8.815 -7.318 6.507 1.00 24.30 H new ATOM 0 HB2 LEU A 55 7.301 -4.797 5.721 1.00 33.45 H new ATOM 0 HB3 LEU A 55 8.172 -5.038 7.223 1.00 33.45 H new ATOM 0 HG LEU A 55 9.416 -4.942 4.461 1.00 50.31 H new ATOM 0 HD11 LEU A 55 10.356 -2.796 5.217 1.00 74.55 H new ATOM 0 HD12 LEU A 55 8.576 -2.765 5.188 1.00 74.55 H new ATOM 0 HD13 LEU A 55 9.438 -2.934 6.736 1.00 74.55 H new ATOM 0 HD21 LEU A 55 11.558 -4.900 5.674 1.00 4.21 H new ATOM 0 HD22 LEU A 55 10.687 -5.122 7.210 1.00 4.21 H new ATOM 0 HD23 LEU A 55 10.657 -6.405 5.977 1.00 4.21 H new ATOM 934 N GLN A 56 6.780 -7.664 7.952 1.00 12.40 N ATOM 935 CA GLN A 56 5.606 -8.115 8.720 1.00 3.10 C ATOM 936 C GLN A 56 4.663 -6.949 9.000 1.00 75.42 C ATOM 937 O GLN A 56 3.441 -7.125 9.124 1.00 13.23 O ATOM 938 CB GLN A 56 6.022 -8.785 10.031 1.00 31.31 C ATOM 939 CG GLN A 56 6.883 -10.027 9.852 1.00 30.31 C ATOM 940 CD GLN A 56 7.228 -10.686 11.169 1.00 10.31 C ATOM 941 OE1 GLN A 56 6.458 -10.620 12.134 1.00 0.50 O ATOM 942 NE2 GLN A 56 8.368 -11.330 11.229 1.00 23.44 N ATOM 0 H GLN A 56 7.660 -7.725 8.464 1.00 12.40 H new ATOM 0 HA GLN A 56 5.080 -8.853 8.114 1.00 3.10 H new ATOM 0 HB2 GLN A 56 6.568 -8.063 10.638 1.00 31.31 H new ATOM 0 HB3 GLN A 56 5.125 -9.056 10.588 1.00 31.31 H new ATOM 0 HG2 GLN A 56 6.358 -10.741 9.218 1.00 30.31 H new ATOM 0 HG3 GLN A 56 7.802 -9.756 9.333 1.00 30.31 H new ATOM 0 HE21 GLN A 56 8.978 -11.363 10.413 1.00 23.44 H new ATOM 0 HE22 GLN A 56 8.645 -11.798 12.092 1.00 23.44 H new ATOM 951 N SER A 57 5.231 -5.770 9.082 1.00 74.23 N ATOM 952 CA SER A 57 4.480 -4.560 9.268 1.00 60.42 C ATOM 953 C SER A 57 3.631 -4.258 8.030 1.00 52.33 C ATOM 954 O SER A 57 2.522 -3.713 8.129 1.00 32.31 O ATOM 955 CB SER A 57 5.454 -3.428 9.587 1.00 74.44 C ATOM 956 OG SER A 57 6.531 -3.420 8.648 1.00 24.00 O ATOM 0 H SER A 57 6.239 -5.626 9.020 1.00 74.23 H new ATOM 0 HA SER A 57 3.787 -4.670 10.102 1.00 60.42 H new ATOM 0 HB2 SER A 57 4.932 -2.472 9.560 1.00 74.44 H new ATOM 0 HB3 SER A 57 5.845 -3.549 10.597 1.00 74.44 H new ATOM 0 HG SER A 57 7.147 -2.689 8.863 1.00 24.00 H new ATOM 962 N THR A 58 4.134 -4.661 6.871 1.00 72.22 N ATOM 963 CA THR A 58 3.434 -4.463 5.644 1.00 54.23 C ATOM 964 C THR A 58 2.226 -5.405 5.586 1.00 12.41 C ATOM 965 O THR A 58 1.166 -5.019 5.107 1.00 20.13 O ATOM 966 CB THR A 58 4.359 -4.690 4.436 1.00 11.24 C ATOM 967 OG1 THR A 58 5.568 -3.948 4.637 1.00 63.14 O ATOM 968 CG2 THR A 58 3.691 -4.198 3.159 1.00 60.43 C ATOM 0 H THR A 58 5.034 -5.130 6.772 1.00 72.22 H new ATOM 0 HA THR A 58 3.086 -3.431 5.602 1.00 54.23 H new ATOM 0 HB THR A 58 4.570 -5.755 4.342 1.00 11.24 H new ATOM 0 HG1 THR A 58 6.197 -4.144 3.911 1.00 63.14 H new ATOM 0 HG21 THR A 58 4.357 -4.365 2.312 1.00 60.43 H new ATOM 0 HG22 THR A 58 2.760 -4.743 3.002 1.00 60.43 H new ATOM 0 HG23 THR A 58 3.477 -3.133 3.248 1.00 60.43 H new ATOM 976 N LYS A 59 2.384 -6.640 6.120 1.00 32.04 N ATOM 977 CA LYS A 59 1.272 -7.576 6.191 1.00 34.13 C ATOM 978 C LYS A 59 0.090 -6.979 6.901 1.00 42.11 C ATOM 979 O LYS A 59 -1.041 -7.121 6.434 1.00 71.20 O ATOM 980 CB LYS A 59 1.639 -8.929 6.804 1.00 14.22 C ATOM 981 CG LYS A 59 2.377 -9.873 5.867 1.00 2.21 C ATOM 982 CD LYS A 59 3.761 -9.405 5.493 1.00 74.31 C ATOM 983 CE LYS A 59 4.440 -10.381 4.550 1.00 13.25 C ATOM 984 NZ LYS A 59 3.735 -10.479 3.252 1.00 35.31 N ATOM 0 H LYS A 59 3.263 -6.993 6.499 1.00 32.04 H new ATOM 0 HA LYS A 59 0.999 -7.772 5.154 1.00 34.13 H new ATOM 0 HB2 LYS A 59 2.257 -8.757 7.685 1.00 14.22 H new ATOM 0 HB3 LYS A 59 0.726 -9.418 7.145 1.00 14.22 H new ATOM 0 HG2 LYS A 59 2.451 -10.853 6.338 1.00 2.21 H new ATOM 0 HG3 LYS A 59 1.789 -10.000 4.958 1.00 2.21 H new ATOM 0 HD2 LYS A 59 3.700 -8.424 5.022 1.00 74.31 H new ATOM 0 HD3 LYS A 59 4.363 -9.289 6.394 1.00 74.31 H new ATOM 0 HE2 LYS A 59 5.469 -10.065 4.381 1.00 13.25 H new ATOM 0 HE3 LYS A 59 4.481 -11.366 5.015 1.00 13.25 H new ATOM 0 HZ1 LYS A 59 3.407 -11.455 3.108 1.00 35.31 H new ATOM 0 HZ2 LYS A 59 2.918 -9.836 3.251 1.00 35.31 H new ATOM 0 HZ3 LYS A 59 4.384 -10.215 2.484 1.00 35.31 H new ATOM 998 N ARG A 60 0.339 -6.275 8.012 1.00 60.52 N ATOM 999 CA ARG A 60 -0.732 -5.602 8.693 1.00 52.23 C ATOM 1000 C ARG A 60 -1.376 -4.602 7.811 1.00 14.21 C ATOM 1001 O ARG A 60 -2.551 -4.656 7.621 1.00 11.42 O ATOM 1002 CB ARG A 60 -0.313 -4.916 9.981 1.00 23.12 C ATOM 1003 CG ARG A 60 -0.347 -5.764 11.228 1.00 55.25 C ATOM 1004 CD ARG A 60 0.695 -6.862 11.232 1.00 31.11 C ATOM 1005 NE ARG A 60 0.647 -7.609 12.486 1.00 63.25 N ATOM 1006 CZ ARG A 60 1.113 -8.842 12.669 1.00 11.33 C ATOM 1007 NH1 ARG A 60 1.668 -9.510 11.660 1.00 15.02 N ATOM 1008 NH2 ARG A 60 1.025 -9.406 13.870 1.00 54.31 N ATOM 0 H ARG A 60 1.259 -6.168 8.438 1.00 60.52 H new ATOM 0 HA ARG A 60 -1.435 -6.392 8.958 1.00 52.23 H new ATOM 0 HB2 ARG A 60 0.700 -4.536 9.853 1.00 23.12 H new ATOM 0 HB3 ARG A 60 -0.960 -4.053 10.136 1.00 23.12 H new ATOM 0 HG2 ARG A 60 -0.195 -5.125 12.098 1.00 55.25 H new ATOM 0 HG3 ARG A 60 -1.336 -6.211 11.329 1.00 55.25 H new ATOM 0 HD2 ARG A 60 0.524 -7.537 10.393 1.00 31.11 H new ATOM 0 HD3 ARG A 60 1.687 -6.431 11.097 1.00 31.11 H new ATOM 0 HE ARG A 60 0.220 -7.147 13.289 1.00 63.25 H new ATOM 0 HH11 ARG A 60 1.738 -9.077 10.739 1.00 15.02 H new ATOM 0 HH12 ARG A 60 2.023 -10.455 11.808 1.00 15.02 H new ATOM 0 HH21 ARG A 60 0.602 -8.894 14.644 1.00 54.31 H new ATOM 0 HH22 ARG A 60 1.380 -10.351 14.017 1.00 54.31 H new ATOM 1022 N PHE A 61 -0.579 -3.721 7.227 1.00 23.31 N ATOM 1023 CA PHE A 61 -1.100 -2.638 6.395 1.00 4.51 C ATOM 1024 C PHE A 61 -1.985 -3.180 5.272 1.00 61.25 C ATOM 1025 O PHE A 61 -3.062 -2.657 5.016 1.00 61.14 O ATOM 1026 CB PHE A 61 0.047 -1.832 5.799 1.00 74.55 C ATOM 1027 CG PHE A 61 -0.370 -0.522 5.144 1.00 13.20 C ATOM 1028 CD1 PHE A 61 -0.829 0.538 5.923 1.00 33.23 C ATOM 1029 CD2 PHE A 61 -0.294 -0.343 3.772 1.00 53.53 C ATOM 1030 CE1 PHE A 61 -1.202 1.742 5.348 1.00 53.23 C ATOM 1031 CE2 PHE A 61 -0.660 0.865 3.194 1.00 14.42 C ATOM 1032 CZ PHE A 61 -1.116 1.907 3.987 1.00 21.24 C ATOM 0 H PHE A 61 0.437 -3.732 7.312 1.00 23.31 H new ATOM 0 HA PHE A 61 -1.706 -1.992 7.030 1.00 4.51 H new ATOM 0 HB2 PHE A 61 0.769 -1.615 6.587 1.00 74.55 H new ATOM 0 HB3 PHE A 61 0.559 -2.446 5.058 1.00 74.55 H new ATOM 0 HD1 PHE A 61 -0.895 0.419 6.994 1.00 33.23 H new ATOM 0 HD2 PHE A 61 0.054 -1.152 3.146 1.00 53.53 H new ATOM 0 HE1 PHE A 61 -1.560 2.550 5.969 1.00 53.23 H new ATOM 0 HE2 PHE A 61 -0.589 0.993 2.124 1.00 14.42 H new ATOM 0 HZ PHE A 61 -1.403 2.846 3.536 1.00 21.24 H new ATOM 1042 N ILE A 62 -1.541 -4.249 4.643 1.00 41.14 N ATOM 1043 CA ILE A 62 -2.267 -4.835 3.532 1.00 2.31 C ATOM 1044 C ILE A 62 -3.532 -5.534 4.010 1.00 11.01 C ATOM 1045 O ILE A 62 -4.626 -5.264 3.515 1.00 64.44 O ATOM 1046 CB ILE A 62 -1.395 -5.838 2.741 1.00 63.14 C ATOM 1047 CG1 ILE A 62 -0.072 -5.184 2.331 1.00 72.42 C ATOM 1048 CG2 ILE A 62 -2.148 -6.347 1.520 1.00 35.04 C ATOM 1049 CD1 ILE A 62 -0.229 -3.888 1.586 1.00 51.43 C ATOM 0 H ILE A 62 -0.676 -4.733 4.883 1.00 41.14 H new ATOM 0 HA ILE A 62 -2.539 -4.014 2.869 1.00 2.31 H new ATOM 0 HB ILE A 62 -1.171 -6.690 3.383 1.00 63.14 H new ATOM 0 HG12 ILE A 62 0.525 -5.006 3.226 1.00 72.42 H new ATOM 0 HG13 ILE A 62 0.488 -5.882 1.709 1.00 72.42 H new ATOM 0 HG21 ILE A 62 -1.521 -7.052 0.974 1.00 35.04 H new ATOM 0 HG22 ILE A 62 -3.063 -6.846 1.839 1.00 35.04 H new ATOM 0 HG23 ILE A 62 -2.400 -5.508 0.872 1.00 35.04 H new ATOM 0 HD11 ILE A 62 0.755 -3.492 1.333 1.00 51.43 H new ATOM 0 HD12 ILE A 62 -0.797 -4.060 0.672 1.00 51.43 H new ATOM 0 HD13 ILE A 62 -0.759 -3.170 2.212 1.00 51.43 H new ATOM 1061 N LYS A 63 -3.391 -6.405 5.000 1.00 14.33 N ATOM 1062 CA LYS A 63 -4.550 -7.160 5.523 1.00 2.43 C ATOM 1063 C LYS A 63 -5.556 -6.220 6.171 1.00 33.52 C ATOM 1064 O LYS A 63 -6.770 -6.454 6.136 1.00 34.42 O ATOM 1065 CB LYS A 63 -4.143 -8.272 6.532 1.00 24.01 C ATOM 1066 CG LYS A 63 -3.607 -9.644 5.989 1.00 12.10 C ATOM 1067 CD LYS A 63 -2.367 -9.572 5.087 1.00 32.02 C ATOM 1068 CE LYS A 63 -2.706 -9.225 3.644 1.00 53.32 C ATOM 1069 NZ LYS A 63 -3.527 -10.277 3.000 1.00 33.10 N ATOM 0 H LYS A 63 -2.505 -6.613 5.460 1.00 14.33 H new ATOM 0 HA LYS A 63 -5.008 -7.652 4.665 1.00 2.43 H new ATOM 0 HB2 LYS A 63 -3.376 -7.856 7.186 1.00 24.01 H new ATOM 0 HB3 LYS A 63 -5.012 -8.483 7.155 1.00 24.01 H new ATOM 0 HG2 LYS A 63 -3.376 -10.284 6.841 1.00 12.10 H new ATOM 0 HG3 LYS A 63 -4.409 -10.130 5.433 1.00 12.10 H new ATOM 0 HD2 LYS A 63 -1.678 -8.826 5.483 1.00 32.02 H new ATOM 0 HD3 LYS A 63 -1.848 -10.530 5.113 1.00 32.02 H new ATOM 0 HE2 LYS A 63 -3.243 -8.277 3.615 1.00 53.32 H new ATOM 0 HE3 LYS A 63 -1.785 -9.086 3.078 1.00 53.32 H new ATOM 0 HZ1 LYS A 63 -3.429 -10.210 1.967 1.00 33.10 H new ATOM 0 HZ2 LYS A 63 -3.204 -11.213 3.318 1.00 33.10 H new ATOM 0 HZ3 LYS A 63 -4.525 -10.148 3.262 1.00 33.10 H new ATOM 1083 N TRP A 64 -5.050 -5.152 6.728 1.00 3.14 N ATOM 1084 CA TRP A 64 -5.870 -4.187 7.410 1.00 71.04 C ATOM 1085 C TRP A 64 -6.593 -3.359 6.355 1.00 31.22 C ATOM 1086 O TRP A 64 -7.792 -3.118 6.472 1.00 43.32 O ATOM 1087 CB TRP A 64 -4.982 -3.280 8.264 1.00 54.45 C ATOM 1088 CG TRP A 64 -5.585 -2.766 9.535 1.00 30.21 C ATOM 1089 CD1 TRP A 64 -5.261 -3.181 10.797 1.00 21.22 C ATOM 1090 CD2 TRP A 64 -6.596 -1.752 9.693 1.00 60.21 C ATOM 1091 NE1 TRP A 64 -6.003 -2.496 11.723 1.00 71.24 N ATOM 1092 CE2 TRP A 64 -6.832 -1.615 11.075 1.00 52.04 C ATOM 1093 CE3 TRP A 64 -7.324 -0.952 8.807 1.00 3.13 C ATOM 1094 CZ2 TRP A 64 -7.760 -0.712 11.588 1.00 10.11 C ATOM 1095 CZ3 TRP A 64 -8.243 -0.056 9.318 1.00 41.44 C ATOM 1096 CH2 TRP A 64 -8.454 0.057 10.695 1.00 10.22 C ATOM 0 H TRP A 64 -4.055 -4.926 6.721 1.00 3.14 H new ATOM 0 HA TRP A 64 -6.591 -4.684 8.059 1.00 71.04 H new ATOM 0 HB2 TRP A 64 -4.073 -3.828 8.514 1.00 54.45 H new ATOM 0 HB3 TRP A 64 -4.682 -2.425 7.657 1.00 54.45 H new ATOM 0 HD1 TRP A 64 -4.527 -3.938 11.030 1.00 21.22 H new ATOM 0 HE1 TRP A 64 -5.948 -2.621 12.734 1.00 71.24 H new ATOM 0 HE3 TRP A 64 -7.170 -1.033 7.741 1.00 3.13 H new ATOM 0 HZ2 TRP A 64 -7.925 -0.622 12.651 1.00 10.11 H new ATOM 0 HZ3 TRP A 64 -8.808 0.568 8.642 1.00 41.44 H new ATOM 0 HH2 TRP A 64 -9.181 0.767 11.062 1.00 10.22 H new ATOM 1107 N TYR A 65 -5.863 -2.949 5.287 1.00 14.05 N ATOM 1108 CA TYR A 65 -6.465 -2.158 4.224 1.00 71.13 C ATOM 1109 C TYR A 65 -7.550 -2.938 3.519 1.00 64.44 C ATOM 1110 O TYR A 65 -8.560 -2.380 3.142 1.00 63.33 O ATOM 1111 CB TYR A 65 -5.442 -1.624 3.205 1.00 4.55 C ATOM 1112 CG TYR A 65 -6.086 -0.714 2.162 1.00 0.25 C ATOM 1113 CD1 TYR A 65 -6.500 0.559 2.505 1.00 35.00 C ATOM 1114 CD2 TYR A 65 -6.306 -1.138 0.854 1.00 60.51 C ATOM 1115 CE1 TYR A 65 -7.110 1.385 1.582 1.00 30.22 C ATOM 1116 CE2 TYR A 65 -6.921 -0.309 -0.072 1.00 45.43 C ATOM 1117 CZ TYR A 65 -7.316 0.944 0.303 1.00 63.43 C ATOM 1118 OH TYR A 65 -7.937 1.768 -0.611 1.00 23.13 O ATOM 0 H TYR A 65 -4.873 -3.157 5.154 1.00 14.05 H new ATOM 0 HA TYR A 65 -6.905 -1.287 4.710 1.00 71.13 H new ATOM 0 HB2 TYR A 65 -4.661 -1.075 3.731 1.00 4.55 H new ATOM 0 HB3 TYR A 65 -4.959 -2.463 2.704 1.00 4.55 H new ATOM 0 HD1 TYR A 65 -6.344 0.914 3.513 1.00 35.00 H new ATOM 0 HD2 TYR A 65 -5.993 -2.128 0.556 1.00 60.51 H new ATOM 0 HE1 TYR A 65 -7.424 2.378 1.869 1.00 30.22 H new ATOM 0 HE2 TYR A 65 -7.087 -0.652 -1.083 1.00 45.43 H new ATOM 0 HH TYR A 65 -7.791 2.704 -0.360 1.00 23.13 H new ATOM 1128 N ASN A 66 -7.343 -4.228 3.353 1.00 4.22 N ATOM 1129 CA ASN A 66 -8.352 -5.075 2.722 1.00 32.51 C ATOM 1130 C ASN A 66 -9.644 -5.093 3.531 1.00 34.21 C ATOM 1131 O ASN A 66 -10.740 -5.018 2.963 1.00 73.13 O ATOM 1132 CB ASN A 66 -7.840 -6.504 2.468 1.00 2.51 C ATOM 1133 CG ASN A 66 -6.700 -6.558 1.460 1.00 15.35 C ATOM 1134 OD1 ASN A 66 -6.597 -5.717 0.575 1.00 20.34 O ATOM 1135 ND2 ASN A 66 -5.861 -7.554 1.566 1.00 33.24 N ATOM 0 H ASN A 66 -6.495 -4.716 3.641 1.00 4.22 H new ATOM 0 HA ASN A 66 -8.567 -4.635 1.748 1.00 32.51 H new ATOM 0 HB2 ASN A 66 -7.505 -6.937 3.411 1.00 2.51 H new ATOM 0 HB3 ASN A 66 -8.664 -7.121 2.109 1.00 2.51 H new ATOM 0 HD21 ASN A 66 -5.094 -7.647 0.901 1.00 33.24 H new ATOM 0 HD22 ASN A 66 -5.973 -8.238 2.314 1.00 33.24 H new ATOM 1142 N ALA A 67 -9.514 -5.148 4.855 1.00 4.24 N ATOM 1143 CA ALA A 67 -10.669 -5.134 5.754 1.00 21.04 C ATOM 1144 C ALA A 67 -11.286 -3.728 5.796 1.00 1.11 C ATOM 1145 O ALA A 67 -12.507 -3.562 5.902 1.00 43.44 O ATOM 1146 CB ALA A 67 -10.254 -5.585 7.144 1.00 52.52 C ATOM 0 H ALA A 67 -8.614 -5.203 5.333 1.00 4.24 H new ATOM 0 HA ALA A 67 -11.422 -5.828 5.380 1.00 21.04 H new ATOM 0 HB1 ALA A 67 -11.121 -5.571 7.805 1.00 52.52 H new ATOM 0 HB2 ALA A 67 -9.853 -6.597 7.093 1.00 52.52 H new ATOM 0 HB3 ALA A 67 -9.491 -4.911 7.532 1.00 52.52 H new ATOM 1152 N TRP A 68 -10.428 -2.732 5.719 1.00 32.35 N ATOM 1153 CA TRP A 68 -10.820 -1.328 5.627 1.00 40.13 C ATOM 1154 C TRP A 68 -11.604 -1.096 4.343 1.00 41.42 C ATOM 1155 O TRP A 68 -12.633 -0.441 4.347 1.00 0.00 O ATOM 1156 CB TRP A 68 -9.542 -0.468 5.692 1.00 1.23 C ATOM 1157 CG TRP A 68 -9.657 0.983 5.309 1.00 72.45 C ATOM 1158 CD1 TRP A 68 -9.280 1.519 4.117 1.00 52.21 C ATOM 1159 CD2 TRP A 68 -10.154 2.079 6.093 1.00 1.20 C ATOM 1160 NE1 TRP A 68 -9.486 2.866 4.111 1.00 44.12 N ATOM 1161 CE2 TRP A 68 -10.026 3.239 5.298 1.00 2.13 C ATOM 1162 CE3 TRP A 68 -10.686 2.205 7.380 1.00 64.04 C ATOM 1163 CZ2 TRP A 68 -10.404 4.491 5.736 1.00 52.42 C ATOM 1164 CZ3 TRP A 68 -11.067 3.467 7.811 1.00 65.23 C ATOM 1165 CH2 TRP A 68 -10.919 4.591 6.982 1.00 11.10 C ATOM 0 H TRP A 68 -9.418 -2.871 5.718 1.00 32.35 H new ATOM 0 HA TRP A 68 -11.472 -1.047 6.454 1.00 40.13 H new ATOM 0 HB2 TRP A 68 -9.156 -0.517 6.710 1.00 1.23 H new ATOM 0 HB3 TRP A 68 -8.795 -0.928 5.045 1.00 1.23 H new ATOM 0 HD1 TRP A 68 -8.874 0.955 3.290 1.00 52.21 H new ATOM 0 HE1 TRP A 68 -9.269 3.494 3.337 1.00 44.12 H new ATOM 0 HE3 TRP A 68 -10.797 1.343 8.021 1.00 64.04 H new ATOM 0 HZ2 TRP A 68 -10.293 5.361 5.106 1.00 52.42 H new ATOM 0 HZ3 TRP A 68 -11.484 3.587 8.800 1.00 65.23 H new ATOM 0 HH2 TRP A 68 -11.224 5.560 7.349 1.00 11.10 H new ATOM 1176 N ASN A 69 -11.118 -1.669 3.266 1.00 63.10 N ATOM 1177 CA ASN A 69 -11.764 -1.595 1.969 1.00 72.41 C ATOM 1178 C ASN A 69 -13.144 -2.225 2.022 1.00 21.23 C ATOM 1179 O ASN A 69 -14.098 -1.680 1.470 1.00 24.22 O ATOM 1180 CB ASN A 69 -10.884 -2.256 0.895 1.00 74.42 C ATOM 1181 CG ASN A 69 -11.509 -2.268 -0.491 1.00 11.33 C ATOM 1182 OD1 ASN A 69 -12.189 -3.230 -0.875 1.00 62.25 O ATOM 1183 ND2 ASN A 69 -11.296 -1.215 -1.243 1.00 22.14 N ATOM 0 H ASN A 69 -10.252 -2.207 3.263 1.00 63.10 H new ATOM 0 HA ASN A 69 -11.891 -0.547 1.699 1.00 72.41 H new ATOM 0 HB2 ASN A 69 -9.930 -1.732 0.848 1.00 74.42 H new ATOM 0 HB3 ASN A 69 -10.670 -3.282 1.195 1.00 74.42 H new ATOM 0 HD21 ASN A 69 -11.696 -1.168 -2.180 1.00 22.14 H new ATOM 0 HD22 ASN A 69 -10.730 -0.443 -0.891 1.00 22.14 H new ATOM 1190 N GLU A 70 -13.258 -3.357 2.727 1.00 14.45 N ATOM 1191 CA GLU A 70 -14.553 -4.018 2.903 1.00 22.01 C ATOM 1192 C GLU A 70 -15.499 -3.111 3.657 1.00 72.14 C ATOM 1193 O GLU A 70 -16.669 -3.017 3.328 1.00 43.32 O ATOM 1194 CB GLU A 70 -14.432 -5.311 3.685 1.00 32.11 C ATOM 1195 CG GLU A 70 -13.550 -6.359 3.077 1.00 23.32 C ATOM 1196 CD GLU A 70 -13.606 -7.631 3.867 1.00 13.41 C ATOM 1197 OE1 GLU A 70 -13.012 -7.701 4.959 1.00 62.51 O ATOM 1198 OE2 GLU A 70 -14.253 -8.586 3.402 1.00 64.04 O ATOM 0 H GLU A 70 -12.476 -3.829 3.180 1.00 14.45 H new ATOM 0 HA GLU A 70 -14.931 -4.239 1.905 1.00 22.01 H new ATOM 0 HB2 GLU A 70 -14.055 -5.078 4.681 1.00 32.11 H new ATOM 0 HB3 GLU A 70 -15.430 -5.731 3.813 1.00 32.11 H new ATOM 0 HG2 GLU A 70 -13.861 -6.550 2.050 1.00 23.32 H new ATOM 0 HG3 GLU A 70 -12.523 -5.996 3.037 1.00 23.32 H new ATOM 1205 N LYS A 71 -14.964 -2.428 4.654 1.00 74.14 N ATOM 1206 CA LYS A 71 -15.720 -1.537 5.503 1.00 64.45 C ATOM 1207 C LYS A 71 -16.211 -0.311 4.716 1.00 50.21 C ATOM 1208 O LYS A 71 -17.188 0.339 5.086 1.00 61.41 O ATOM 1209 CB LYS A 71 -14.841 -1.113 6.687 1.00 75.23 C ATOM 1210 CG LYS A 71 -15.548 -0.289 7.745 1.00 3.33 C ATOM 1211 CD LYS A 71 -16.720 -1.054 8.368 1.00 13.30 C ATOM 1212 CE LYS A 71 -16.256 -2.336 9.042 1.00 61.14 C ATOM 1213 NZ LYS A 71 -17.378 -3.114 9.601 1.00 74.45 N ATOM 0 H LYS A 71 -13.975 -2.481 4.897 1.00 74.14 H new ATOM 0 HA LYS A 71 -16.603 -2.056 5.876 1.00 64.45 H new ATOM 0 HB2 LYS A 71 -14.434 -2.008 7.157 1.00 75.23 H new ATOM 0 HB3 LYS A 71 -13.996 -0.540 6.306 1.00 75.23 H new ATOM 0 HG2 LYS A 71 -14.839 -0.012 8.525 1.00 3.33 H new ATOM 0 HG3 LYS A 71 -15.913 0.638 7.301 1.00 3.33 H new ATOM 0 HD2 LYS A 71 -17.222 -0.420 9.098 1.00 13.30 H new ATOM 0 HD3 LYS A 71 -17.451 -1.292 7.596 1.00 13.30 H new ATOM 0 HE2 LYS A 71 -15.717 -2.949 8.320 1.00 61.14 H new ATOM 0 HE3 LYS A 71 -15.554 -2.091 9.839 1.00 61.14 H new ATOM 0 HZ1 LYS A 71 -17.021 -3.761 10.333 1.00 74.45 H new ATOM 0 HZ2 LYS A 71 -18.075 -2.466 10.021 1.00 74.45 H new ATOM 0 HZ3 LYS A 71 -17.830 -3.665 8.843 1.00 74.45 H new ATOM 1227 N ARG A 72 -15.520 -0.001 3.648 1.00 13.24 N ATOM 1228 CA ARG A 72 -15.889 1.118 2.808 1.00 54.13 C ATOM 1229 C ARG A 72 -16.868 0.676 1.731 1.00 23.23 C ATOM 1230 O ARG A 72 -17.576 1.500 1.148 1.00 73.54 O ATOM 1231 CB ARG A 72 -14.646 1.752 2.194 1.00 40.21 C ATOM 1232 CG ARG A 72 -13.674 2.246 3.243 1.00 4.23 C ATOM 1233 CD ARG A 72 -12.405 2.795 2.644 1.00 21.10 C ATOM 1234 NE ARG A 72 -12.608 4.016 1.874 1.00 3.52 N ATOM 1235 CZ ARG A 72 -11.641 4.653 1.211 1.00 32.24 C ATOM 1236 NH1 ARG A 72 -10.456 4.063 1.032 1.00 13.35 N ATOM 1237 NH2 ARG A 72 -11.872 5.848 0.686 1.00 34.21 N ATOM 0 H ARG A 72 -14.693 -0.510 3.336 1.00 13.24 H new ATOM 0 HA ARG A 72 -16.384 1.870 3.423 1.00 54.13 H new ATOM 0 HB2 ARG A 72 -14.148 1.023 1.555 1.00 40.21 H new ATOM 0 HB3 ARG A 72 -14.943 2.585 1.557 1.00 40.21 H new ATOM 0 HG2 ARG A 72 -14.154 3.020 3.842 1.00 4.23 H new ATOM 0 HG3 ARG A 72 -13.428 1.427 3.919 1.00 4.23 H new ATOM 0 HD2 ARG A 72 -11.691 2.993 3.443 1.00 21.10 H new ATOM 0 HD3 ARG A 72 -11.959 2.038 1.999 1.00 21.10 H new ATOM 0 HE ARG A 72 -13.549 4.408 1.840 1.00 3.52 H new ATOM 0 HH11 ARG A 72 -10.291 3.127 1.402 1.00 13.35 H new ATOM 0 HH12 ARG A 72 -9.716 4.549 0.525 1.00 13.35 H new ATOM 0 HH21 ARG A 72 -12.790 6.281 0.789 1.00 34.21 H new ATOM 0 HH22 ARG A 72 -11.132 6.334 0.179 1.00 34.21 H new ATOM 1251 N ARG A 73 -16.898 -0.625 1.460 1.00 22.10 N ATOM 1252 CA ARG A 73 -17.838 -1.183 0.494 1.00 25.20 C ATOM 1253 C ARG A 73 -19.136 -1.529 1.193 1.00 32.14 C ATOM 1254 O ARG A 73 -20.220 -1.206 0.708 1.00 15.55 O ATOM 1255 CB ARG A 73 -17.267 -2.418 -0.213 1.00 42.14 C ATOM 1256 CG ARG A 73 -16.012 -2.156 -1.035 1.00 2.52 C ATOM 1257 CD ARG A 73 -16.246 -1.089 -2.095 1.00 72.12 C ATOM 1258 NE ARG A 73 -15.070 -0.898 -2.939 1.00 13.04 N ATOM 1259 CZ ARG A 73 -14.808 0.184 -3.689 1.00 61.33 C ATOM 1260 NH1 ARG A 73 -15.594 1.255 -3.642 1.00 71.15 N ATOM 1261 NH2 ARG A 73 -13.737 0.194 -4.461 1.00 52.24 N ATOM 0 H ARG A 73 -16.283 -1.312 1.895 1.00 22.10 H new ATOM 0 HA ARG A 73 -18.023 -0.430 -0.272 1.00 25.20 H new ATOM 0 HB2 ARG A 73 -17.043 -3.177 0.536 1.00 42.14 H new ATOM 0 HB3 ARG A 73 -18.034 -2.832 -0.867 1.00 42.14 H new ATOM 0 HG2 ARG A 73 -15.204 -1.842 -0.375 1.00 2.52 H new ATOM 0 HG3 ARG A 73 -15.691 -3.081 -1.514 1.00 2.52 H new ATOM 0 HD2 ARG A 73 -17.096 -1.373 -2.715 1.00 72.12 H new ATOM 0 HD3 ARG A 73 -16.504 -0.147 -1.612 1.00 72.12 H new ATOM 0 HE ARG A 73 -14.386 -1.655 -2.961 1.00 13.04 H new ATOM 0 HH11 ARG A 73 -16.410 1.262 -3.030 1.00 71.15 H new ATOM 0 HH12 ARG A 73 -15.381 2.069 -4.218 1.00 71.15 H new ATOM 0 HH21 ARG A 73 -13.117 -0.616 -4.484 1.00 52.24 H new ATOM 0 HH22 ARG A 73 -13.529 1.011 -5.035 1.00 52.24 H new ATOM 1275 N VAL A 74 -19.021 -2.196 2.317 1.00 31.24 N ATOM 1276 CA VAL A 74 -20.150 -2.487 3.154 1.00 55.33 C ATOM 1277 C VAL A 74 -20.074 -1.498 4.285 1.00 43.51 C ATOM 1278 O VAL A 74 -19.323 -1.682 5.250 1.00 51.11 O ATOM 1279 CB VAL A 74 -20.105 -3.904 3.741 1.00 13.33 C ATOM 1280 CG1 VAL A 74 -21.385 -4.228 4.504 1.00 25.21 C ATOM 1281 CG2 VAL A 74 -19.796 -4.953 2.684 1.00 1.14 C ATOM 0 H VAL A 74 -18.134 -2.552 2.674 1.00 31.24 H new ATOM 0 HA VAL A 74 -21.068 -2.420 2.570 1.00 55.33 H new ATOM 0 HB VAL A 74 -19.282 -3.930 4.455 1.00 13.33 H new ATOM 0 HG11 VAL A 74 -21.322 -5.239 4.908 1.00 25.21 H new ATOM 0 HG12 VAL A 74 -21.511 -3.518 5.321 1.00 25.21 H new ATOM 0 HG13 VAL A 74 -22.238 -4.159 3.829 1.00 25.21 H new ATOM 0 HG21 VAL A 74 -19.774 -5.940 3.146 1.00 1.14 H new ATOM 0 HG22 VAL A 74 -20.566 -4.930 1.913 1.00 1.14 H new ATOM 0 HG23 VAL A 74 -18.826 -4.742 2.234 1.00 1.14 H new ATOM 1291 N TYR A 75 -20.801 -0.468 4.143 1.00 33.13 N ATOM 1292 CA TYR A 75 -20.710 0.670 5.015 1.00 1.15 C ATOM 1293 C TYR A 75 -21.674 0.500 6.181 1.00 64.53 C ATOM 1294 O TYR A 75 -22.865 0.247 5.981 1.00 23.33 O ATOM 1295 CB TYR A 75 -21.024 1.932 4.196 1.00 51.52 C ATOM 1296 CG TYR A 75 -20.671 3.241 4.860 1.00 20.24 C ATOM 1297 CD1 TYR A 75 -19.371 3.723 4.806 1.00 33.41 C ATOM 1298 CD2 TYR A 75 -21.621 3.999 5.518 1.00 64.01 C ATOM 1299 CE1 TYR A 75 -19.027 4.921 5.392 1.00 43.24 C ATOM 1300 CE2 TYR A 75 -21.287 5.202 6.106 1.00 63.43 C ATOM 1301 CZ TYR A 75 -19.988 5.658 6.039 1.00 65.42 C ATOM 1302 OH TYR A 75 -19.650 6.861 6.620 1.00 5.24 O ATOM 0 H TYR A 75 -21.499 -0.370 3.406 1.00 33.13 H new ATOM 0 HA TYR A 75 -19.707 0.762 5.431 1.00 1.15 H new ATOM 0 HB2 TYR A 75 -20.491 1.870 3.247 1.00 51.52 H new ATOM 0 HB3 TYR A 75 -22.089 1.938 3.964 1.00 51.52 H new ATOM 0 HD1 TYR A 75 -18.614 3.147 4.294 1.00 33.41 H new ATOM 0 HD2 TYR A 75 -22.640 3.645 5.573 1.00 64.01 H new ATOM 0 HE1 TYR A 75 -18.009 5.278 5.343 1.00 43.24 H new ATOM 0 HE2 TYR A 75 -22.040 5.784 6.617 1.00 63.43 H new ATOM 0 HH TYR A 75 -20.444 7.258 7.036 1.00 5.24 H new ATOM 1312 N GLU A 76 -21.168 0.607 7.392 1.00 43.22 N ATOM 1313 CA GLU A 76 -21.998 0.430 8.558 1.00 31.31 C ATOM 1314 C GLU A 76 -22.557 1.751 9.050 1.00 4.22 C ATOM 1315 O GLU A 76 -21.826 2.746 9.209 1.00 42.25 O ATOM 1316 CB GLU A 76 -21.281 -0.340 9.689 1.00 14.30 C ATOM 1317 CG GLU A 76 -19.981 0.277 10.174 1.00 64.12 C ATOM 1318 CD GLU A 76 -19.387 -0.480 11.342 1.00 54.33 C ATOM 1319 OE1 GLU A 76 -18.826 -1.565 11.138 1.00 12.14 O ATOM 1320 OE2 GLU A 76 -19.467 0.011 12.484 1.00 51.54 O ATOM 0 H GLU A 76 -20.189 0.815 7.591 1.00 43.22 H new ATOM 0 HA GLU A 76 -22.839 -0.190 8.247 1.00 31.31 H new ATOM 0 HB2 GLU A 76 -21.962 -0.425 10.536 1.00 14.30 H new ATOM 0 HB3 GLU A 76 -21.076 -1.353 9.343 1.00 14.30 H new ATOM 0 HG2 GLU A 76 -19.263 0.297 9.354 1.00 64.12 H new ATOM 0 HG3 GLU A 76 -20.160 1.312 10.467 1.00 64.12 H new ATOM 1327 N GLU A 77 -23.841 1.760 9.263 1.00 44.31 N ATOM 1328 CA GLU A 77 -24.557 2.905 9.745 1.00 5.23 C ATOM 1329 C GLU A 77 -25.470 2.428 10.849 1.00 41.11 C ATOM 1330 O GLU A 77 -26.608 2.019 10.549 1.00 36.55 O ATOM 1331 CB GLU A 77 -25.396 3.531 8.619 1.00 24.11 C ATOM 1332 CG GLU A 77 -24.604 3.962 7.397 1.00 51.23 C ATOM 1333 CD GLU A 77 -25.479 4.513 6.312 1.00 70.15 C ATOM 1334 OE1 GLU A 77 -25.748 5.735 6.301 1.00 72.13 O ATOM 1335 OE2 GLU A 77 -25.930 3.742 5.446 1.00 22.44 O ATOM 1336 OXT GLU A 77 -25.035 2.395 12.009 1.00 36.55 O ATOM 0 H GLU A 77 -24.436 0.947 9.101 1.00 44.31 H new ATOM 0 HA GLU A 77 -23.860 3.662 10.106 1.00 5.23 H new ATOM 0 HB2 GLU A 77 -26.154 2.812 8.308 1.00 24.11 H new ATOM 0 HB3 GLU A 77 -25.923 4.398 9.017 1.00 24.11 H new ATOM 0 HG2 GLU A 77 -23.874 4.717 7.689 1.00 51.23 H new ATOM 0 HG3 GLU A 77 -24.045 3.110 7.011 1.00 51.23 H new TER 1343 GLU A 77