USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 910 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 99 SER OG : rot 180:sc= 0.229 USER MOD Set 1.2: A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 GLN : amide:sc= -3.01 K(o=-3,f=-5.7!) USER MOD Set 3.1: A 16 CYS SG : rot 31:sc= -4.17! USER MOD Set 3.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -68:sc= 1.15 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -2.06 USER MOD Single : A 21 SER OG : rot -31:sc= 0.6 USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= -0.26 (180deg=-2.78!) USER MOD Single : A 26 GLN : amide:sc= -0.47 K(o=-0.47,f=-4.6!) USER MOD Single : A 27 THR OG1 : rot 177:sc= -2.93! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= -0.418 (180deg=-0.458) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -169:sc= -5.35! (180deg=-5.76!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.1 F(o=-2.7!,f=-1.1) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.975 K(o=-0.98,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -10.5! C(o=-10!,f=-20!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0698 F(o=-0.68,f=-0.07) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -5.97! C(o=-8.2!,f=-6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.581 K(o=-0.58,f=-2!) USER MOD Single : A 97 HIS : no HD1:sc=-0.00585 X(o=-0.0058,f=-0.096) USER MOD Single : A 103 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.5!) USER MOD Single : A 104 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0166) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 51:sc= 0.54 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -137:sc= -0.18 (180deg=-1.52!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.859 -2.219 -17.316 1.00 14.01 N ATOM 2 CA GLY A 1 4.963 -1.121 -16.312 1.00 30.43 C ATOM 3 C GLY A 1 6.345 -1.150 -15.658 1.00 5.32 C ATOM 4 O GLY A 1 7.251 -0.449 -16.065 1.00 41.40 O ATOM 0 H1 GLY A 1 3.918 -2.197 -17.759 1.00 14.01 H new ATOM 0 H2 GLY A 1 5.589 -2.092 -18.046 1.00 14.01 H new ATOM 0 H3 GLY A 1 4.998 -3.135 -16.844 1.00 14.01 H new ATOM 0 HA2 GLY A 1 4.798 -0.157 -16.794 1.00 30.43 H new ATOM 0 HA3 GLY A 1 4.189 -1.234 -15.553 1.00 30.43 H new ATOM 8 N SER A 2 6.518 -1.958 -14.644 1.00 25.13 N ATOM 9 CA SER A 2 7.843 -2.027 -13.964 1.00 14.22 C ATOM 10 C SER A 2 8.339 -3.475 -13.917 1.00 15.43 C ATOM 11 O SER A 2 9.112 -3.847 -13.055 1.00 12.51 O ATOM 12 CB SER A 2 7.591 -1.504 -12.550 1.00 62.05 C ATOM 13 OG SER A 2 7.697 -0.086 -12.548 1.00 61.41 O ATOM 0 H SER A 2 5.800 -2.571 -14.259 1.00 25.13 H new ATOM 0 HA SER A 2 8.604 -1.446 -14.485 1.00 14.22 H new ATOM 0 HB2 SER A 2 6.601 -1.807 -12.209 1.00 62.05 H new ATOM 0 HB3 SER A 2 8.313 -1.935 -11.856 1.00 62.05 H new ATOM 0 HG SER A 2 7.534 0.253 -11.643 1.00 61.41 H new ATOM 19 N MET A 3 7.905 -4.292 -14.836 1.00 72.32 N ATOM 20 CA MET A 3 8.356 -5.713 -14.841 1.00 34.31 C ATOM 21 C MET A 3 8.233 -6.310 -13.436 1.00 41.24 C ATOM 22 O MET A 3 9.186 -6.329 -12.682 1.00 3.32 O ATOM 23 CB MET A 3 9.822 -5.662 -15.272 1.00 52.12 C ATOM 24 CG MET A 3 9.909 -5.286 -16.752 1.00 5.03 C ATOM 25 SD MET A 3 9.224 -6.625 -17.759 1.00 73.02 S ATOM 26 CE MET A 3 8.779 -5.623 -19.197 1.00 21.13 C ATOM 0 H MET A 3 7.258 -4.038 -15.583 1.00 72.32 H new ATOM 0 HA MET A 3 7.756 -6.334 -15.506 1.00 34.31 H new ATOM 0 HB2 MET A 3 10.364 -4.933 -14.669 1.00 52.12 H new ATOM 0 HB3 MET A 3 10.295 -6.630 -15.104 1.00 52.12 H new ATOM 0 HG2 MET A 3 9.361 -4.362 -16.936 1.00 5.03 H new ATOM 0 HG3 MET A 3 10.947 -5.102 -17.031 1.00 5.03 H new ATOM 0 HE1 MET A 3 8.330 -6.260 -19.959 1.00 21.13 H new ATOM 0 HE2 MET A 3 8.065 -4.855 -18.899 1.00 21.13 H new ATOM 0 HE3 MET A 3 9.674 -5.149 -19.601 1.00 21.13 H new ATOM 36 N PRO A 4 7.054 -6.780 -13.134 1.00 3.15 N ATOM 37 CA PRO A 4 6.792 -7.387 -11.804 1.00 74.00 C ATOM 38 C PRO A 4 7.464 -8.760 -11.706 1.00 33.14 C ATOM 39 O PRO A 4 7.532 -9.357 -10.650 1.00 62.41 O ATOM 40 CB PRO A 4 5.273 -7.517 -11.763 1.00 75.32 C ATOM 41 CG PRO A 4 4.848 -7.572 -13.196 1.00 41.01 C ATOM 42 CD PRO A 4 5.864 -6.793 -13.991 1.00 22.13 C ATOM 0 HA PRO A 4 7.184 -6.797 -10.976 1.00 74.00 H new ATOM 0 HB2 PRO A 4 4.969 -8.416 -11.227 1.00 75.32 H new ATOM 0 HB3 PRO A 4 4.819 -6.670 -11.249 1.00 75.32 H new ATOM 0 HG2 PRO A 4 4.797 -8.604 -13.543 1.00 41.01 H new ATOM 0 HG3 PRO A 4 3.853 -7.145 -13.319 1.00 41.01 H new ATOM 0 HD2 PRO A 4 6.069 -7.268 -14.951 1.00 22.13 H new ATOM 0 HD3 PRO A 4 5.515 -5.783 -14.204 1.00 22.13 H new ATOM 50 N LYS A 5 7.961 -9.266 -12.803 1.00 53.22 N ATOM 51 CA LYS A 5 8.626 -10.602 -12.777 1.00 31.10 C ATOM 52 C LYS A 5 9.757 -10.614 -11.745 1.00 25.40 C ATOM 53 O LYS A 5 10.764 -9.957 -11.919 1.00 40.21 O ATOM 54 CB LYS A 5 9.190 -10.791 -14.186 1.00 71.20 C ATOM 55 CG LYS A 5 9.214 -12.281 -14.532 1.00 44.30 C ATOM 56 CD LYS A 5 8.068 -12.597 -15.495 1.00 50.50 C ATOM 57 CE LYS A 5 8.515 -13.671 -16.489 1.00 51.10 C ATOM 58 NZ LYS A 5 7.356 -14.597 -16.598 1.00 32.05 N ATOM 0 H LYS A 5 7.935 -8.812 -13.716 1.00 53.22 H new ATOM 0 HA LYS A 5 7.935 -11.399 -12.501 1.00 31.10 H new ATOM 0 HB2 LYS A 5 8.580 -10.249 -14.909 1.00 71.20 H new ATOM 0 HB3 LYS A 5 10.197 -10.377 -14.244 1.00 71.20 H new ATOM 0 HG2 LYS A 5 10.169 -12.545 -14.987 1.00 44.30 H new ATOM 0 HG3 LYS A 5 9.117 -12.878 -13.625 1.00 44.30 H new ATOM 0 HD2 LYS A 5 7.197 -12.942 -14.939 1.00 50.50 H new ATOM 0 HD3 LYS A 5 7.769 -11.695 -16.029 1.00 50.50 H new ATOM 0 HE2 LYS A 5 8.765 -13.235 -17.456 1.00 51.10 H new ATOM 0 HE3 LYS A 5 9.405 -14.192 -16.135 1.00 51.10 H new ATOM 0 HZ1 LYS A 5 7.585 -15.363 -17.263 1.00 32.05 H new ATOM 0 HZ2 LYS A 5 7.146 -15.002 -15.663 1.00 32.05 H new ATOM 0 HZ3 LYS A 5 6.526 -14.075 -16.944 1.00 32.05 H new ATOM 72 N PRO A 6 9.552 -11.367 -10.698 1.00 51.33 N ATOM 73 CA PRO A 6 10.569 -11.470 -9.626 1.00 22.10 C ATOM 74 C PRO A 6 11.737 -12.350 -10.086 1.00 24.30 C ATOM 75 O PRO A 6 11.880 -12.644 -11.256 1.00 3.05 O ATOM 76 CB PRO A 6 9.811 -12.128 -8.477 1.00 22.21 C ATOM 77 CG PRO A 6 8.694 -12.882 -9.124 1.00 24.25 C ATOM 78 CD PRO A 6 8.366 -12.182 -10.420 1.00 61.34 C ATOM 0 HA PRO A 6 11.002 -10.509 -9.348 1.00 22.10 H new ATOM 0 HB2 PRO A 6 10.459 -12.795 -7.909 1.00 22.21 H new ATOM 0 HB3 PRO A 6 9.430 -11.383 -7.779 1.00 22.21 H new ATOM 0 HG2 PRO A 6 8.986 -13.916 -9.310 1.00 24.25 H new ATOM 0 HG3 PRO A 6 7.821 -12.910 -8.471 1.00 24.25 H new ATOM 0 HD2 PRO A 6 8.177 -12.896 -11.222 1.00 61.34 H new ATOM 0 HD3 PRO A 6 7.472 -11.565 -10.325 1.00 61.34 H new ATOM 86 N GLY A 7 12.573 -12.769 -9.175 1.00 1.20 N ATOM 87 CA GLY A 7 13.730 -13.624 -9.562 1.00 54.40 C ATOM 88 C GLY A 7 13.248 -14.769 -10.455 1.00 0.32 C ATOM 89 O GLY A 7 12.358 -15.516 -10.099 1.00 34.21 O ATOM 0 H GLY A 7 12.504 -12.556 -8.180 1.00 1.20 H new ATOM 0 HA2 GLY A 7 14.475 -13.028 -10.089 1.00 54.40 H new ATOM 0 HA3 GLY A 7 14.214 -14.024 -8.671 1.00 54.40 H new ATOM 93 N ILE A 8 13.829 -14.911 -11.616 1.00 43.20 N ATOM 94 CA ILE A 8 13.403 -16.007 -12.535 1.00 33.03 C ATOM 95 C ILE A 8 14.281 -17.247 -12.330 1.00 25.21 C ATOM 96 O ILE A 8 15.326 -17.387 -12.932 1.00 72.51 O ATOM 97 CB ILE A 8 13.601 -15.439 -13.941 1.00 64.14 C ATOM 98 CG1 ILE A 8 12.509 -14.407 -14.232 1.00 13.22 C ATOM 99 CG2 ILE A 8 13.518 -16.570 -14.966 1.00 31.34 C ATOM 100 CD1 ILE A 8 13.155 -13.093 -14.673 1.00 25.11 C ATOM 0 H ILE A 8 14.579 -14.316 -11.968 1.00 43.20 H new ATOM 0 HA ILE A 8 12.373 -16.317 -12.358 1.00 33.03 H new ATOM 0 HB ILE A 8 14.579 -14.963 -14.005 1.00 64.14 H new ATOM 0 HG12 ILE A 8 11.843 -14.777 -15.011 1.00 13.22 H new ATOM 0 HG13 ILE A 8 11.900 -14.245 -13.342 1.00 13.22 H new ATOM 0 HG21 ILE A 8 13.659 -16.164 -15.968 1.00 31.34 H new ATOM 0 HG22 ILE A 8 14.295 -17.306 -14.760 1.00 31.34 H new ATOM 0 HG23 ILE A 8 12.540 -17.048 -14.902 1.00 31.34 H new ATOM 0 HD11 ILE A 8 12.378 -12.357 -14.881 1.00 25.11 H new ATOM 0 HD12 ILE A 8 13.803 -12.722 -13.879 1.00 25.11 H new ATOM 0 HD13 ILE A 8 13.745 -13.262 -15.574 1.00 25.11 H new ATOM 112 N LEU A 9 13.862 -18.148 -11.481 1.00 21.11 N ATOM 113 CA LEU A 9 14.672 -19.377 -11.239 1.00 41.52 C ATOM 114 C LEU A 9 13.957 -20.296 -10.240 1.00 32.05 C ATOM 115 O LEU A 9 13.966 -21.503 -10.379 1.00 42.53 O ATOM 116 CB LEU A 9 15.994 -18.877 -10.657 1.00 72.41 C ATOM 117 CG LEU A 9 17.143 -19.743 -11.179 1.00 71.22 C ATOM 118 CD1 LEU A 9 17.730 -19.106 -12.440 1.00 13.31 C ATOM 119 CD2 LEU A 9 18.230 -19.852 -10.107 1.00 31.34 C ATOM 0 H LEU A 9 12.996 -18.086 -10.946 1.00 21.11 H new ATOM 0 HA LEU A 9 14.823 -19.955 -12.150 1.00 41.52 H new ATOM 0 HB2 LEU A 9 16.155 -17.835 -10.935 1.00 72.41 H new ATOM 0 HB3 LEU A 9 15.962 -18.915 -9.568 1.00 72.41 H new ATOM 0 HG LEU A 9 16.768 -20.739 -11.416 1.00 71.22 H new ATOM 0 HD11 LEU A 9 18.548 -19.723 -12.812 1.00 13.31 H new ATOM 0 HD12 LEU A 9 16.956 -19.031 -13.204 1.00 13.31 H new ATOM 0 HD13 LEU A 9 18.105 -18.110 -12.204 1.00 13.31 H new ATOM 0 HD21 LEU A 9 19.048 -20.469 -10.480 1.00 31.34 H new ATOM 0 HD22 LEU A 9 18.606 -18.857 -9.867 1.00 31.34 H new ATOM 0 HD23 LEU A 9 17.812 -20.308 -9.210 1.00 31.34 H new ATOM 131 N LYS A 10 13.337 -19.734 -9.238 1.00 72.34 N ATOM 132 CA LYS A 10 12.623 -20.575 -8.238 1.00 13.42 C ATOM 133 C LYS A 10 11.613 -21.485 -8.941 1.00 42.20 C ATOM 134 O LYS A 10 10.656 -21.025 -9.529 1.00 23.15 O ATOM 135 CB LYS A 10 11.904 -19.583 -7.325 1.00 70.12 C ATOM 136 CG LYS A 10 11.211 -18.517 -8.177 1.00 53.10 C ATOM 137 CD LYS A 10 9.714 -18.507 -7.862 1.00 22.14 C ATOM 138 CE LYS A 10 8.919 -18.466 -9.169 1.00 42.33 C ATOM 139 NZ LYS A 10 8.702 -17.017 -9.442 1.00 71.02 N ATOM 0 H LYS A 10 13.295 -18.729 -9.070 1.00 72.34 H new ATOM 0 HA LYS A 10 13.302 -21.221 -7.682 1.00 13.42 H new ATOM 0 HB2 LYS A 10 11.172 -20.104 -6.709 1.00 70.12 H new ATOM 0 HB3 LYS A 10 12.616 -19.115 -6.646 1.00 70.12 H new ATOM 0 HG2 LYS A 10 11.643 -17.537 -7.974 1.00 53.10 H new ATOM 0 HG3 LYS A 10 11.369 -18.723 -9.236 1.00 53.10 H new ATOM 0 HD2 LYS A 10 9.446 -19.394 -7.288 1.00 22.14 H new ATOM 0 HD3 LYS A 10 9.467 -17.642 -7.246 1.00 22.14 H new ATOM 0 HE2 LYS A 10 9.469 -18.943 -9.981 1.00 42.33 H new ATOM 0 HE3 LYS A 10 7.971 -18.996 -9.072 1.00 42.33 H new ATOM 0 HZ1 LYS A 10 8.162 -16.907 -10.324 1.00 71.02 H new ATOM 0 HZ2 LYS A 10 8.171 -16.591 -8.656 1.00 71.02 H new ATOM 0 HZ3 LYS A 10 9.621 -16.540 -9.537 1.00 71.02 H new ATOM 153 N SER A 11 11.818 -22.772 -8.886 1.00 33.42 N ATOM 154 CA SER A 11 10.867 -23.707 -9.552 1.00 22.10 C ATOM 155 C SER A 11 10.410 -24.782 -8.562 1.00 51.50 C ATOM 156 O SER A 11 10.794 -25.929 -8.658 1.00 51.32 O ATOM 157 CB SER A 11 11.663 -24.332 -10.695 1.00 0.05 C ATOM 158 OG SER A 11 11.063 -25.567 -11.064 1.00 50.50 O ATOM 0 H SER A 11 12.602 -23.217 -8.409 1.00 33.42 H new ATOM 0 HA SER A 11 9.970 -23.202 -9.911 1.00 22.10 H new ATOM 0 HB2 SER A 11 11.686 -23.656 -11.550 1.00 0.05 H new ATOM 0 HB3 SER A 11 12.696 -24.494 -10.388 1.00 0.05 H new ATOM 0 HG SER A 11 11.182 -26.218 -10.341 1.00 50.50 H new ATOM 164 N LYS A 12 9.596 -24.416 -7.612 1.00 44.31 N ATOM 165 CA LYS A 12 9.114 -25.414 -6.612 1.00 20.40 C ATOM 166 C LYS A 12 7.740 -25.953 -7.013 1.00 44.31 C ATOM 167 O LYS A 12 7.033 -25.361 -7.804 1.00 42.34 O ATOM 168 CB LYS A 12 9.020 -24.639 -5.298 1.00 14.33 C ATOM 169 CG LYS A 12 10.368 -23.982 -4.996 1.00 12.04 C ATOM 170 CD LYS A 12 11.187 -24.893 -4.081 1.00 4.41 C ATOM 171 CE LYS A 12 11.567 -24.131 -2.810 1.00 15.32 C ATOM 172 NZ LYS A 12 10.485 -24.451 -1.836 1.00 62.42 N ATOM 0 H LYS A 12 9.242 -23.468 -7.483 1.00 44.31 H new ATOM 0 HA LYS A 12 9.779 -26.274 -6.536 1.00 20.40 H new ATOM 0 HB2 LYS A 12 8.241 -23.880 -5.366 1.00 14.33 H new ATOM 0 HB3 LYS A 12 8.741 -25.311 -4.486 1.00 14.33 H new ATOM 0 HG2 LYS A 12 10.910 -23.798 -5.923 1.00 12.04 H new ATOM 0 HG3 LYS A 12 10.214 -23.014 -4.519 1.00 12.04 H new ATOM 0 HD2 LYS A 12 10.611 -25.783 -3.826 1.00 4.41 H new ATOM 0 HD3 LYS A 12 12.085 -25.232 -4.597 1.00 4.41 H new ATOM 0 HE2 LYS A 12 12.541 -24.446 -2.436 1.00 15.32 H new ATOM 0 HE3 LYS A 12 11.628 -23.059 -2.995 1.00 15.32 H new ATOM 0 HZ1 LYS A 12 10.673 -23.965 -0.936 1.00 62.42 H new ATOM 0 HZ2 LYS A 12 9.571 -24.134 -2.216 1.00 62.42 H new ATOM 0 HZ3 LYS A 12 10.455 -25.478 -1.675 1.00 62.42 H new ATOM 186 N SER A 13 7.350 -27.075 -6.467 1.00 11.42 N ATOM 187 CA SER A 13 6.019 -27.651 -6.810 1.00 0.23 C ATOM 188 C SER A 13 5.266 -28.036 -5.533 1.00 13.25 C ATOM 189 O SER A 13 5.851 -28.185 -4.477 1.00 42.42 O ATOM 190 CB SER A 13 6.326 -28.894 -7.644 1.00 22.33 C ATOM 191 OG SER A 13 6.397 -30.026 -6.789 1.00 73.42 O ATOM 0 H SER A 13 7.897 -27.617 -5.798 1.00 11.42 H new ATOM 0 HA SER A 13 5.390 -26.943 -7.351 1.00 0.23 H new ATOM 0 HB2 SER A 13 5.552 -29.041 -8.398 1.00 22.33 H new ATOM 0 HB3 SER A 13 7.269 -28.766 -8.176 1.00 22.33 H new ATOM 0 HG SER A 13 6.592 -30.826 -7.321 1.00 73.42 H new ATOM 197 N MET A 14 3.974 -28.192 -5.619 1.00 43.31 N ATOM 198 CA MET A 14 3.184 -28.561 -4.410 1.00 12.00 C ATOM 199 C MET A 14 1.705 -28.698 -4.767 1.00 4.22 C ATOM 200 O MET A 14 1.340 -28.840 -5.916 1.00 23.20 O ATOM 201 CB MET A 14 3.394 -27.406 -3.431 1.00 14.31 C ATOM 202 CG MET A 14 3.952 -27.949 -2.113 1.00 34.12 C ATOM 203 SD MET A 14 4.506 -26.572 -1.078 1.00 65.34 S ATOM 204 CE MET A 14 3.933 -27.235 0.506 1.00 31.04 C ATOM 0 H MET A 14 3.430 -28.080 -6.475 1.00 43.31 H new ATOM 0 HA MET A 14 3.498 -29.515 -3.988 1.00 12.00 H new ATOM 0 HB2 MET A 14 4.082 -26.675 -3.856 1.00 14.31 H new ATOM 0 HB3 MET A 14 2.451 -26.890 -3.254 1.00 14.31 H new ATOM 0 HG2 MET A 14 3.187 -28.525 -1.592 1.00 34.12 H new ATOM 0 HG3 MET A 14 4.783 -28.627 -2.309 1.00 34.12 H new ATOM 0 HE1 MET A 14 4.176 -26.533 1.304 1.00 31.04 H new ATOM 0 HE2 MET A 14 2.854 -27.383 0.469 1.00 31.04 H new ATOM 0 HE3 MET A 14 4.424 -28.189 0.700 1.00 31.04 H new ATOM 214 N PHE A 15 0.853 -28.656 -3.783 1.00 30.52 N ATOM 215 CA PHE A 15 -0.607 -28.783 -4.053 1.00 0.52 C ATOM 216 C PHE A 15 -1.295 -27.429 -3.856 1.00 34.13 C ATOM 217 O PHE A 15 -0.934 -26.657 -2.990 1.00 40.21 O ATOM 218 CB PHE A 15 -1.111 -29.800 -3.028 1.00 61.21 C ATOM 219 CG PHE A 15 -2.613 -29.695 -2.899 1.00 42.53 C ATOM 220 CD1 PHE A 15 -3.441 -30.403 -3.777 1.00 40.42 C ATOM 221 CD2 PHE A 15 -3.176 -28.890 -1.902 1.00 1.23 C ATOM 222 CE1 PHE A 15 -4.832 -30.304 -3.659 1.00 52.24 C ATOM 223 CE2 PHE A 15 -4.568 -28.791 -1.786 1.00 74.42 C ATOM 224 CZ PHE A 15 -5.395 -29.498 -2.663 1.00 41.11 C ATOM 0 H PHE A 15 1.104 -28.539 -2.801 1.00 30.52 H new ATOM 0 HA PHE A 15 -0.816 -29.100 -5.075 1.00 0.52 H new ATOM 0 HB2 PHE A 15 -0.833 -30.808 -3.335 1.00 61.21 H new ATOM 0 HB3 PHE A 15 -0.640 -29.620 -2.062 1.00 61.21 H new ATOM 0 HD1 PHE A 15 -3.007 -31.026 -4.545 1.00 40.42 H new ATOM 0 HD2 PHE A 15 -2.537 -28.345 -1.222 1.00 1.23 H new ATOM 0 HE1 PHE A 15 -5.471 -30.850 -4.337 1.00 52.24 H new ATOM 0 HE2 PHE A 15 -5.003 -28.168 -1.018 1.00 74.42 H new ATOM 0 HZ PHE A 15 -6.469 -29.422 -2.572 1.00 41.11 H new ATOM 234 N CYS A 16 -2.282 -27.135 -4.656 1.00 72.32 N ATOM 235 CA CYS A 16 -2.989 -25.831 -4.518 1.00 14.11 C ATOM 236 C CYS A 16 -4.488 -26.013 -4.762 1.00 63.54 C ATOM 237 O CYS A 16 -4.913 -26.953 -5.404 1.00 71.21 O ATOM 238 CB CYS A 16 -2.379 -24.936 -5.594 1.00 31.53 C ATOM 239 SG CYS A 16 -1.045 -23.949 -4.873 1.00 21.42 S ATOM 0 H CYS A 16 -2.630 -27.741 -5.399 1.00 72.32 H new ATOM 0 HA CYS A 16 -2.879 -25.406 -3.521 1.00 14.11 H new ATOM 0 HB2 CYS A 16 -1.994 -25.544 -6.413 1.00 31.53 H new ATOM 0 HB3 CYS A 16 -3.143 -24.282 -6.014 1.00 31.53 H new ATOM 0 HG CYS A 16 -0.490 -24.612 -3.902 1.00 21.42 H new ATOM 245 N VAL A 17 -5.293 -25.121 -4.258 1.00 41.20 N ATOM 246 CA VAL A 17 -6.767 -25.243 -4.466 1.00 60.24 C ATOM 247 C VAL A 17 -7.286 -24.008 -5.207 1.00 33.05 C ATOM 248 O VAL A 17 -7.061 -22.885 -4.796 1.00 11.25 O ATOM 249 CB VAL A 17 -7.384 -25.323 -3.067 1.00 32.53 C ATOM 250 CG1 VAL A 17 -8.733 -26.038 -3.152 1.00 30.42 C ATOM 251 CG2 VAL A 17 -6.461 -26.103 -2.125 1.00 15.42 C ATOM 0 H VAL A 17 -4.997 -24.312 -3.711 1.00 41.20 H new ATOM 0 HA VAL A 17 -7.024 -26.119 -5.062 1.00 60.24 H new ATOM 0 HB VAL A 17 -7.519 -24.313 -2.680 1.00 32.53 H new ATOM 0 HG11 VAL A 17 -9.176 -26.098 -2.158 1.00 30.42 H new ATOM 0 HG12 VAL A 17 -9.398 -25.483 -3.813 1.00 30.42 H new ATOM 0 HG13 VAL A 17 -8.587 -27.044 -3.545 1.00 30.42 H new ATOM 0 HG21 VAL A 17 -6.911 -26.153 -1.133 1.00 15.42 H new ATOM 0 HG22 VAL A 17 -6.318 -27.113 -2.510 1.00 15.42 H new ATOM 0 HG23 VAL A 17 -5.497 -25.599 -2.061 1.00 15.42 H new ATOM 261 N ILE A 18 -7.980 -24.201 -6.294 1.00 44.21 N ATOM 262 CA ILE A 18 -8.509 -23.032 -7.053 1.00 12.31 C ATOM 263 C ILE A 18 -9.965 -22.770 -6.671 1.00 3.04 C ATOM 264 O ILE A 18 -10.845 -23.564 -6.949 1.00 33.54 O ATOM 265 CB ILE A 18 -8.403 -23.427 -8.525 1.00 31.12 C ATOM 266 CG1 ILE A 18 -6.932 -23.431 -8.947 1.00 12.51 C ATOM 267 CG2 ILE A 18 -9.173 -22.418 -9.382 1.00 44.03 C ATOM 268 CD1 ILE A 18 -6.277 -24.737 -8.497 1.00 13.25 C ATOM 0 H ILE A 18 -8.204 -25.114 -6.689 1.00 44.21 H new ATOM 0 HA ILE A 18 -7.955 -22.118 -6.839 1.00 12.31 H new ATOM 0 HB ILE A 18 -8.826 -24.422 -8.664 1.00 31.12 H new ATOM 0 HG12 ILE A 18 -6.853 -23.326 -10.029 1.00 12.51 H new ATOM 0 HG13 ILE A 18 -6.413 -22.580 -8.505 1.00 12.51 H new ATOM 0 HG21 ILE A 18 -9.097 -22.700 -10.432 1.00 44.03 H new ATOM 0 HG22 ILE A 18 -10.221 -22.411 -9.083 1.00 44.03 H new ATOM 0 HG23 ILE A 18 -8.749 -21.423 -9.242 1.00 44.03 H new ATOM 0 HD11 ILE A 18 -5.229 -24.741 -8.797 1.00 13.25 H new ATOM 0 HD12 ILE A 18 -6.344 -24.823 -7.412 1.00 13.25 H new ATOM 0 HD13 ILE A 18 -6.790 -25.580 -8.960 1.00 13.25 H new ATOM 280 N TYR A 19 -10.228 -21.663 -6.036 1.00 64.14 N ATOM 281 CA TYR A 19 -11.630 -21.348 -5.634 1.00 33.03 C ATOM 282 C TYR A 19 -12.297 -20.468 -6.690 1.00 24.14 C ATOM 283 O TYR A 19 -11.639 -19.825 -7.484 1.00 34.21 O ATOM 284 CB TYR A 19 -11.503 -20.582 -4.319 1.00 22.12 C ATOM 285 CG TYR A 19 -11.292 -21.554 -3.183 1.00 11.31 C ATOM 286 CD1 TYR A 19 -10.008 -22.040 -2.905 1.00 42.22 C ATOM 287 CD2 TYR A 19 -12.380 -21.969 -2.406 1.00 35.23 C ATOM 288 CE1 TYR A 19 -9.814 -22.940 -1.850 1.00 51.34 C ATOM 289 CE2 TYR A 19 -12.187 -22.869 -1.351 1.00 23.11 C ATOM 290 CZ TYR A 19 -10.904 -23.355 -1.073 1.00 33.42 C ATOM 291 OH TYR A 19 -10.712 -24.241 -0.033 1.00 62.04 O ATOM 0 H TYR A 19 -9.534 -20.962 -5.777 1.00 64.14 H new ATOM 0 HA TYR A 19 -12.238 -22.247 -5.531 1.00 33.03 H new ATOM 0 HB2 TYR A 19 -10.668 -19.884 -4.373 1.00 22.12 H new ATOM 0 HB3 TYR A 19 -12.402 -19.991 -4.143 1.00 22.12 H new ATOM 0 HD1 TYR A 19 -9.168 -21.721 -3.504 1.00 42.22 H new ATOM 0 HD2 TYR A 19 -13.370 -21.594 -2.621 1.00 35.23 H new ATOM 0 HE1 TYR A 19 -8.824 -23.314 -1.635 1.00 51.34 H new ATOM 0 HE2 TYR A 19 -13.027 -23.188 -0.752 1.00 23.11 H new ATOM 0 HH TYR A 19 -11.570 -24.424 0.404 1.00 62.04 H new ATOM 301 N ARG A 20 -13.601 -20.426 -6.700 1.00 11.23 N ATOM 302 CA ARG A 20 -14.309 -19.578 -7.697 1.00 50.42 C ATOM 303 C ARG A 20 -15.309 -18.661 -6.984 1.00 12.41 C ATOM 304 O ARG A 20 -15.977 -19.063 -6.053 1.00 23.32 O ATOM 305 CB ARG A 20 -15.033 -20.559 -8.623 1.00 61.10 C ATOM 306 CG ARG A 20 -16.257 -21.143 -7.912 1.00 53.04 C ATOM 307 CD ARG A 20 -17.116 -21.898 -8.927 1.00 54.03 C ATOM 308 NE ARG A 20 -18.472 -21.961 -8.314 1.00 52.41 N ATOM 309 CZ ARG A 20 -19.523 -21.673 -9.030 1.00 64.21 C ATOM 310 NH1 ARG A 20 -19.631 -22.136 -10.244 1.00 33.12 N ATOM 311 NH2 ARG A 20 -20.468 -20.924 -8.532 1.00 63.23 N ATOM 0 H ARG A 20 -14.206 -20.942 -6.061 1.00 11.23 H new ATOM 0 HA ARG A 20 -13.627 -18.935 -8.254 1.00 50.42 H new ATOM 0 HB2 ARG A 20 -15.341 -20.050 -9.536 1.00 61.10 H new ATOM 0 HB3 ARG A 20 -14.356 -21.361 -8.918 1.00 61.10 H new ATOM 0 HG2 ARG A 20 -15.942 -21.815 -7.113 1.00 53.04 H new ATOM 0 HG3 ARG A 20 -16.838 -20.346 -7.448 1.00 53.04 H new ATOM 0 HD2 ARG A 20 -17.140 -21.380 -9.886 1.00 54.03 H new ATOM 0 HD3 ARG A 20 -16.720 -22.896 -9.114 1.00 54.03 H new ATOM 0 HE ARG A 20 -18.578 -22.229 -7.336 1.00 52.41 H new ATOM 0 HH11 ARG A 20 -18.894 -22.723 -10.633 1.00 33.12 H new ATOM 0 HH12 ARG A 20 -20.453 -21.911 -10.804 1.00 33.12 H new ATOM 0 HH21 ARG A 20 -20.385 -20.563 -7.582 1.00 63.23 H new ATOM 0 HH22 ARG A 20 -21.290 -20.699 -9.093 1.00 63.23 H new ATOM 325 N SER A 21 -15.412 -17.437 -7.412 1.00 10.04 N ATOM 326 CA SER A 21 -16.366 -16.497 -6.757 1.00 35.30 C ATOM 327 C SER A 21 -17.806 -16.887 -7.089 1.00 64.13 C ATOM 328 O SER A 21 -18.132 -17.191 -8.219 1.00 21.05 O ATOM 329 CB SER A 21 -16.037 -15.124 -7.339 1.00 5.13 C ATOM 330 OG SER A 21 -14.779 -14.691 -6.844 1.00 52.04 O ATOM 0 H SER A 21 -14.878 -17.044 -8.187 1.00 10.04 H new ATOM 0 HA SER A 21 -16.275 -16.511 -5.671 1.00 35.30 H new ATOM 0 HB2 SER A 21 -16.014 -15.174 -8.428 1.00 5.13 H new ATOM 0 HB3 SER A 21 -16.813 -14.407 -7.069 1.00 5.13 H new ATOM 0 HG SER A 21 -14.639 -15.054 -5.945 1.00 52.04 H new ATOM 336 N SER A 22 -18.673 -16.877 -6.115 1.00 61.21 N ATOM 337 CA SER A 22 -20.091 -17.246 -6.382 1.00 32.13 C ATOM 338 C SER A 22 -20.694 -16.292 -7.418 1.00 0.04 C ATOM 339 O SER A 22 -21.498 -16.684 -8.240 1.00 14.41 O ATOM 340 CB SER A 22 -20.801 -17.097 -5.038 1.00 75.10 C ATOM 341 OG SER A 22 -20.825 -18.355 -4.379 1.00 23.23 O ATOM 0 H SER A 22 -18.462 -16.630 -5.148 1.00 61.21 H new ATOM 0 HA SER A 22 -20.189 -18.255 -6.781 1.00 32.13 H new ATOM 0 HB2 SER A 22 -20.286 -16.360 -4.421 1.00 75.10 H new ATOM 0 HB3 SER A 22 -21.817 -16.733 -5.189 1.00 75.10 H new ATOM 0 HG SER A 22 -21.278 -18.263 -3.515 1.00 23.23 H new ATOM 347 N LYS A 23 -20.308 -15.047 -7.387 1.00 1.21 N ATOM 348 CA LYS A 23 -20.858 -14.075 -8.374 1.00 23.43 C ATOM 349 C LYS A 23 -19.826 -12.986 -8.685 1.00 52.51 C ATOM 350 O LYS A 23 -19.731 -11.991 -7.993 1.00 51.40 O ATOM 351 CB LYS A 23 -22.086 -13.471 -7.689 1.00 63.11 C ATOM 352 CG LYS A 23 -21.683 -12.906 -6.326 1.00 22.43 C ATOM 353 CD LYS A 23 -22.150 -13.852 -5.221 1.00 64.40 C ATOM 354 CE LYS A 23 -21.480 -13.465 -3.903 1.00 31.40 C ATOM 355 NZ LYS A 23 -20.019 -13.608 -4.160 1.00 52.15 N ATOM 0 H LYS A 23 -19.637 -14.661 -6.723 1.00 1.21 H new ATOM 0 HA LYS A 23 -21.109 -14.549 -9.323 1.00 23.43 H new ATOM 0 HB2 LYS A 23 -22.511 -12.683 -8.310 1.00 63.11 H new ATOM 0 HB3 LYS A 23 -22.858 -14.231 -7.566 1.00 63.11 H new ATOM 0 HG2 LYS A 23 -20.601 -12.781 -6.278 1.00 22.43 H new ATOM 0 HG3 LYS A 23 -22.125 -11.920 -6.185 1.00 22.43 H new ATOM 0 HD2 LYS A 23 -23.234 -13.802 -5.119 1.00 64.40 H new ATOM 0 HD3 LYS A 23 -21.901 -14.881 -5.479 1.00 64.40 H new ATOM 0 HE2 LYS A 23 -21.733 -12.444 -3.616 1.00 31.40 H new ATOM 0 HE3 LYS A 23 -21.804 -14.114 -3.090 1.00 31.40 H new ATOM 0 HZ1 LYS A 23 -19.532 -13.848 -3.273 1.00 52.15 H new ATOM 0 HZ2 LYS A 23 -19.861 -14.364 -4.857 1.00 52.15 H new ATOM 0 HZ3 LYS A 23 -19.642 -12.712 -4.530 1.00 52.15 H new ATOM 369 N ARG A 24 -19.063 -13.162 -9.726 1.00 33.13 N ATOM 370 CA ARG A 24 -18.042 -12.139 -10.091 1.00 73.42 C ATOM 371 C ARG A 24 -17.638 -12.312 -11.556 1.00 0.32 C ATOM 372 O ARG A 24 -18.283 -13.017 -12.307 1.00 50.40 O ATOM 373 CB ARG A 24 -16.848 -12.412 -9.174 1.00 31.24 C ATOM 374 CG ARG A 24 -16.857 -11.428 -8.000 1.00 63.15 C ATOM 375 CD ARG A 24 -16.772 -9.992 -8.528 1.00 24.15 C ATOM 376 NE ARG A 24 -17.741 -9.222 -7.698 1.00 10.23 N ATOM 377 CZ ARG A 24 -18.385 -8.211 -8.212 1.00 12.14 C ATOM 378 NH1 ARG A 24 -18.870 -8.292 -9.422 1.00 11.40 N ATOM 379 NH2 ARG A 24 -18.548 -7.120 -7.516 1.00 62.04 N ATOM 0 H ARG A 24 -19.102 -13.973 -10.343 1.00 33.13 H new ATOM 0 HA ARG A 24 -18.416 -11.122 -9.973 1.00 73.42 H new ATOM 0 HB2 ARG A 24 -16.890 -13.436 -8.802 1.00 31.24 H new ATOM 0 HB3 ARG A 24 -15.918 -12.315 -9.734 1.00 31.24 H new ATOM 0 HG2 ARG A 24 -17.766 -11.556 -7.413 1.00 63.15 H new ATOM 0 HG3 ARG A 24 -16.017 -11.632 -7.336 1.00 63.15 H new ATOM 0 HD2 ARG A 24 -15.762 -9.593 -8.429 1.00 24.15 H new ATOM 0 HD3 ARG A 24 -17.031 -9.944 -9.586 1.00 24.15 H new ATOM 0 HE ARG A 24 -17.901 -9.486 -6.726 1.00 10.23 H new ATOM 0 HH11 ARG A 24 -18.745 -9.146 -9.965 1.00 11.40 H new ATOM 0 HH12 ARG A 24 -19.374 -7.501 -9.824 1.00 11.40 H new ATOM 0 HH21 ARG A 24 -18.172 -7.058 -6.570 1.00 62.04 H new ATOM 0 HH22 ARG A 24 -19.052 -6.329 -7.918 1.00 62.04 H new ATOM 393 N ASP A 25 -16.575 -11.680 -11.971 1.00 52.33 N ATOM 394 CA ASP A 25 -16.135 -11.821 -13.391 1.00 11.15 C ATOM 395 C ASP A 25 -15.093 -12.935 -13.511 1.00 23.00 C ATOM 396 O ASP A 25 -13.928 -12.686 -13.749 1.00 23.41 O ATOM 397 CB ASP A 25 -15.522 -10.470 -13.756 1.00 13.23 C ATOM 398 CG ASP A 25 -16.482 -9.702 -14.667 1.00 0.14 C ATOM 399 OD1 ASP A 25 -16.565 -10.051 -15.832 1.00 42.34 O ATOM 400 OD2 ASP A 25 -17.114 -8.779 -14.182 1.00 31.15 O ATOM 0 H ASP A 25 -15.993 -11.074 -11.392 1.00 52.33 H new ATOM 0 HA ASP A 25 -16.959 -12.083 -14.054 1.00 11.15 H new ATOM 0 HB2 ASP A 25 -15.322 -9.894 -12.853 1.00 13.23 H new ATOM 0 HB3 ASP A 25 -14.566 -10.617 -14.259 1.00 13.23 H new ATOM 405 N GLN A 26 -15.504 -14.164 -13.350 1.00 22.41 N ATOM 406 CA GLN A 26 -14.538 -15.296 -13.460 1.00 74.31 C ATOM 407 C GLN A 26 -13.371 -15.103 -12.489 1.00 54.21 C ATOM 408 O GLN A 26 -12.222 -15.285 -12.839 1.00 33.24 O ATOM 409 CB GLN A 26 -14.044 -15.252 -14.905 1.00 63.20 C ATOM 410 CG GLN A 26 -15.196 -15.604 -15.848 1.00 63.05 C ATOM 411 CD GLN A 26 -15.447 -14.439 -16.806 1.00 63.14 C ATOM 412 OE1 GLN A 26 -15.141 -13.305 -16.492 1.00 2.21 O ATOM 413 NE2 GLN A 26 -15.993 -14.672 -17.968 1.00 1.23 N ATOM 0 H GLN A 26 -16.467 -14.433 -13.147 1.00 22.41 H new ATOM 0 HA GLN A 26 -14.997 -16.253 -13.211 1.00 74.31 H new ATOM 0 HB2 GLN A 26 -13.659 -14.260 -15.139 1.00 63.20 H new ATOM 0 HB3 GLN A 26 -13.221 -15.954 -15.041 1.00 63.20 H new ATOM 0 HG2 GLN A 26 -14.956 -16.506 -16.411 1.00 63.05 H new ATOM 0 HG3 GLN A 26 -16.098 -15.817 -15.274 1.00 63.05 H new ATOM 0 HE21 GLN A 26 -16.249 -15.624 -18.230 1.00 1.23 H new ATOM 0 HE22 GLN A 26 -16.164 -13.902 -18.615 1.00 1.23 H new ATOM 422 N THR A 27 -13.655 -14.742 -11.267 1.00 30.11 N ATOM 423 CA THR A 27 -12.560 -14.545 -10.274 1.00 14.34 C ATOM 424 C THR A 27 -12.216 -15.878 -9.608 1.00 21.23 C ATOM 425 O THR A 27 -13.087 -16.665 -9.295 1.00 12.43 O ATOM 426 CB THR A 27 -13.128 -13.561 -9.250 1.00 10.33 C ATOM 427 OG1 THR A 27 -13.381 -12.314 -9.882 1.00 23.30 O ATOM 428 CG2 THR A 27 -12.122 -13.366 -8.115 1.00 3.10 C ATOM 0 H THR A 27 -14.597 -14.575 -10.913 1.00 30.11 H new ATOM 0 HA THR A 27 -11.644 -14.170 -10.731 1.00 14.34 H new ATOM 0 HB THR A 27 -14.059 -13.957 -8.843 1.00 10.33 H new ATOM 0 HG1 THR A 27 -13.791 -11.699 -9.239 1.00 23.30 H new ATOM 0 HG21 THR A 27 -12.528 -12.665 -7.386 1.00 3.10 H new ATOM 0 HG22 THR A 27 -11.930 -14.323 -7.630 1.00 3.10 H new ATOM 0 HG23 THR A 27 -11.190 -12.971 -8.519 1.00 3.10 H new ATOM 436 N TYR A 28 -10.956 -16.148 -9.394 1.00 62.43 N ATOM 437 CA TYR A 28 -10.576 -17.438 -8.753 1.00 53.31 C ATOM 438 C TYR A 28 -9.484 -17.223 -7.703 1.00 51.31 C ATOM 439 O TYR A 28 -8.552 -16.470 -7.905 1.00 73.21 O ATOM 440 CB TYR A 28 -10.050 -18.304 -9.900 1.00 63.15 C ATOM 441 CG TYR A 28 -11.213 -18.854 -10.690 1.00 73.14 C ATOM 442 CD1 TYR A 28 -11.886 -18.038 -11.608 1.00 41.40 C ATOM 443 CD2 TYR A 28 -11.617 -20.179 -10.504 1.00 3.20 C ATOM 444 CE1 TYR A 28 -12.965 -18.549 -12.337 1.00 63.03 C ATOM 445 CE2 TYR A 28 -12.697 -20.692 -11.235 1.00 20.25 C ATOM 446 CZ TYR A 28 -13.371 -19.874 -12.152 1.00 51.30 C ATOM 447 OH TYR A 28 -14.436 -20.379 -12.869 1.00 13.41 O ATOM 0 H TYR A 28 -10.178 -15.534 -9.634 1.00 62.43 H new ATOM 0 HA TYR A 28 -11.417 -17.900 -8.236 1.00 53.31 H new ATOM 0 HB2 TYR A 28 -9.403 -17.713 -10.549 1.00 63.15 H new ATOM 0 HB3 TYR A 28 -9.446 -19.121 -9.505 1.00 63.15 H new ATOM 0 HD1 TYR A 28 -11.572 -17.015 -11.753 1.00 41.40 H new ATOM 0 HD2 TYR A 28 -11.097 -20.808 -9.797 1.00 3.20 H new ATOM 0 HE1 TYR A 28 -13.485 -17.919 -13.044 1.00 63.03 H new ATOM 0 HE2 TYR A 28 -13.009 -21.716 -11.092 1.00 20.25 H new ATOM 0 HH TYR A 28 -14.584 -21.315 -12.620 1.00 13.41 H new ATOM 457 N LEU A 29 -9.589 -17.886 -6.582 1.00 13.11 N ATOM 458 CA LEU A 29 -8.554 -17.729 -5.522 1.00 72.14 C ATOM 459 C LEU A 29 -7.639 -18.955 -5.507 1.00 62.40 C ATOM 460 O LEU A 29 -8.017 -20.027 -5.935 1.00 22.41 O ATOM 461 CB LEU A 29 -9.332 -17.635 -4.209 1.00 72.15 C ATOM 462 CG LEU A 29 -9.259 -16.209 -3.659 1.00 1.30 C ATOM 463 CD1 LEU A 29 -10.073 -16.123 -2.367 1.00 14.34 C ATOM 464 CD2 LEU A 29 -7.803 -15.844 -3.358 1.00 41.21 C ATOM 0 H LEU A 29 -10.347 -18.529 -6.356 1.00 13.11 H new ATOM 0 HA LEU A 29 -7.926 -16.853 -5.685 1.00 72.14 H new ATOM 0 HB2 LEU A 29 -10.372 -17.918 -4.372 1.00 72.15 H new ATOM 0 HB3 LEU A 29 -8.921 -18.336 -3.482 1.00 72.15 H new ATOM 0 HG LEU A 29 -9.662 -15.517 -4.399 1.00 1.30 H new ATOM 0 HD11 LEU A 29 -10.023 -15.108 -1.972 1.00 14.34 H new ATOM 0 HD12 LEU A 29 -11.112 -16.381 -2.573 1.00 14.34 H new ATOM 0 HD13 LEU A 29 -9.665 -16.818 -1.633 1.00 14.34 H new ATOM 0 HD21 LEU A 29 -7.756 -14.828 -2.967 1.00 41.21 H new ATOM 0 HD22 LEU A 29 -7.400 -16.536 -2.619 1.00 41.21 H new ATOM 0 HD23 LEU A 29 -7.215 -15.908 -4.274 1.00 41.21 H new ATOM 476 N TYR A 30 -6.441 -18.813 -5.015 1.00 12.13 N ATOM 477 CA TYR A 30 -5.513 -19.980 -4.976 1.00 51.34 C ATOM 478 C TYR A 30 -4.883 -20.106 -3.587 1.00 20.15 C ATOM 479 O TYR A 30 -4.462 -19.132 -2.995 1.00 20.42 O ATOM 480 CB TYR A 30 -4.450 -19.675 -6.028 1.00 40.32 C ATOM 481 CG TYR A 30 -5.082 -19.692 -7.399 1.00 30.11 C ATOM 482 CD1 TYR A 30 -5.966 -18.672 -7.771 1.00 15.42 C ATOM 483 CD2 TYR A 30 -4.787 -20.725 -8.297 1.00 42.12 C ATOM 484 CE1 TYR A 30 -6.554 -18.684 -9.041 1.00 32.01 C ATOM 485 CE2 TYR A 30 -5.376 -20.737 -9.568 1.00 24.12 C ATOM 486 CZ TYR A 30 -6.260 -19.718 -9.940 1.00 63.53 C ATOM 487 OH TYR A 30 -6.840 -19.729 -11.190 1.00 73.12 O ATOM 0 H TYR A 30 -6.064 -17.943 -4.639 1.00 12.13 H new ATOM 0 HA TYR A 30 -6.022 -20.923 -5.177 1.00 51.34 H new ATOM 0 HB2 TYR A 30 -4.000 -18.701 -5.835 1.00 40.32 H new ATOM 0 HB3 TYR A 30 -3.649 -20.412 -5.976 1.00 40.32 H new ATOM 0 HD1 TYR A 30 -6.194 -17.876 -7.078 1.00 15.42 H new ATOM 0 HD2 TYR A 30 -4.106 -21.512 -8.010 1.00 42.12 H new ATOM 0 HE1 TYR A 30 -7.235 -17.896 -9.328 1.00 32.01 H new ATOM 0 HE2 TYR A 30 -5.148 -21.533 -10.261 1.00 24.12 H new ATOM 0 HH TYR A 30 -6.529 -20.514 -11.688 1.00 73.12 H new ATOM 497 N VAL A 31 -4.821 -21.298 -3.062 1.00 14.30 N ATOM 498 CA VAL A 31 -4.223 -21.487 -1.707 1.00 74.41 C ATOM 499 C VAL A 31 -3.439 -22.798 -1.646 1.00 31.41 C ATOM 500 O VAL A 31 -3.736 -23.744 -2.347 1.00 42.30 O ATOM 501 CB VAL A 31 -5.402 -21.534 -0.718 1.00 75.43 C ATOM 502 CG1 VAL A 31 -5.627 -20.143 -0.128 1.00 22.22 C ATOM 503 CG2 VAL A 31 -6.683 -21.998 -1.424 1.00 35.20 C ATOM 0 H VAL A 31 -5.158 -22.150 -3.511 1.00 14.30 H new ATOM 0 HA VAL A 31 -3.530 -20.680 -1.468 1.00 74.41 H new ATOM 0 HB VAL A 31 -5.162 -22.242 0.076 1.00 75.43 H new ATOM 0 HG11 VAL A 31 -6.462 -20.175 0.572 1.00 22.22 H new ATOM 0 HG12 VAL A 31 -4.727 -19.820 0.395 1.00 22.22 H new ATOM 0 HG13 VAL A 31 -5.853 -19.440 -0.930 1.00 22.22 H new ATOM 0 HG21 VAL A 31 -7.504 -22.024 -0.708 1.00 35.20 H new ATOM 0 HG22 VAL A 31 -6.926 -21.305 -2.229 1.00 35.20 H new ATOM 0 HG23 VAL A 31 -6.530 -22.995 -1.837 1.00 35.20 H new ATOM 513 N GLU A 32 -2.449 -22.864 -0.799 1.00 3.21 N ATOM 514 CA GLU A 32 -1.657 -24.119 -0.682 1.00 14.13 C ATOM 515 C GLU A 32 -2.573 -25.250 -0.210 1.00 64.30 C ATOM 516 O GLU A 32 -2.269 -26.417 -0.349 1.00 3.14 O ATOM 517 CB GLU A 32 -0.581 -23.820 0.363 1.00 43.00 C ATOM 518 CG GLU A 32 -1.248 -23.429 1.685 1.00 33.22 C ATOM 519 CD GLU A 32 -0.198 -23.413 2.801 1.00 14.34 C ATOM 520 OE1 GLU A 32 0.562 -24.365 2.882 1.00 75.42 O ATOM 521 OE2 GLU A 32 -0.173 -22.452 3.549 1.00 53.03 O ATOM 0 H GLU A 32 -2.155 -22.105 -0.185 1.00 3.21 H new ATOM 0 HA GLU A 32 -1.214 -24.429 -1.628 1.00 14.13 H new ATOM 0 HB2 GLU A 32 0.053 -24.695 0.508 1.00 43.00 H new ATOM 0 HB3 GLU A 32 0.064 -23.013 0.016 1.00 43.00 H new ATOM 0 HG2 GLU A 32 -1.713 -22.447 1.594 1.00 33.22 H new ATOM 0 HG3 GLU A 32 -2.041 -24.136 1.928 1.00 33.22 H new ATOM 528 N LYS A 33 -3.700 -24.896 0.343 1.00 65.12 N ATOM 529 CA LYS A 33 -4.661 -25.925 0.826 1.00 41.51 C ATOM 530 C LYS A 33 -6.067 -25.322 0.884 1.00 74.30 C ATOM 531 O LYS A 33 -6.251 -24.134 0.709 1.00 42.51 O ATOM 532 CB LYS A 33 -4.168 -26.309 2.226 1.00 1.23 C ATOM 533 CG LYS A 33 -4.601 -25.248 3.242 1.00 60.50 C ATOM 534 CD LYS A 33 -3.817 -25.433 4.542 1.00 63.51 C ATOM 535 CE LYS A 33 -3.029 -24.158 4.849 1.00 54.23 C ATOM 536 NZ LYS A 33 -4.055 -23.155 5.251 1.00 2.23 N ATOM 0 H LYS A 33 -3.998 -23.930 0.482 1.00 65.12 H new ATOM 0 HA LYS A 33 -4.712 -26.796 0.172 1.00 41.51 H new ATOM 0 HB2 LYS A 33 -4.571 -27.281 2.509 1.00 1.23 H new ATOM 0 HB3 LYS A 33 -3.082 -26.402 2.225 1.00 1.23 H new ATOM 0 HG2 LYS A 33 -4.426 -24.251 2.839 1.00 60.50 H new ATOM 0 HG3 LYS A 33 -5.671 -25.330 3.436 1.00 60.50 H new ATOM 0 HD2 LYS A 33 -4.499 -25.658 5.362 1.00 63.51 H new ATOM 0 HD3 LYS A 33 -3.137 -26.280 4.452 1.00 63.51 H new ATOM 0 HE2 LYS A 33 -2.306 -24.324 5.648 1.00 54.23 H new ATOM 0 HE3 LYS A 33 -2.469 -23.821 3.977 1.00 54.23 H new ATOM 0 HZ1 LYS A 33 -3.585 -22.269 5.526 1.00 2.23 H new ATOM 0 HZ2 LYS A 33 -4.695 -22.974 4.452 1.00 2.23 H new ATOM 0 HZ3 LYS A 33 -4.602 -23.521 6.056 1.00 2.23 H new ATOM 550 N LYS A 34 -7.056 -26.129 1.130 1.00 4.22 N ATOM 551 CA LYS A 34 -8.450 -25.604 1.201 1.00 72.14 C ATOM 552 C LYS A 34 -8.829 -25.327 2.657 1.00 71.34 C ATOM 553 O LYS A 34 -9.747 -25.918 3.192 1.00 14.22 O ATOM 554 CB LYS A 34 -9.326 -26.711 0.620 1.00 0.32 C ATOM 555 CG LYS A 34 -9.263 -27.940 1.528 1.00 20.51 C ATOM 556 CD LYS A 34 -9.195 -29.204 0.669 1.00 12.43 C ATOM 557 CE LYS A 34 -10.375 -30.116 1.011 1.00 1.31 C ATOM 558 NZ LYS A 34 -10.140 -31.363 0.232 1.00 30.21 N ATOM 0 H LYS A 34 -6.962 -27.133 1.286 1.00 4.22 H new ATOM 0 HA LYS A 34 -8.568 -24.668 0.654 1.00 72.14 H new ATOM 0 HB2 LYS A 34 -10.356 -26.365 0.529 1.00 0.32 H new ATOM 0 HB3 LYS A 34 -8.987 -26.969 -0.383 1.00 0.32 H new ATOM 0 HG2 LYS A 34 -8.390 -27.881 2.178 1.00 20.51 H new ATOM 0 HG3 LYS A 34 -10.140 -27.973 2.175 1.00 20.51 H new ATOM 0 HD2 LYS A 34 -9.220 -28.940 -0.388 1.00 12.43 H new ATOM 0 HD3 LYS A 34 -8.255 -29.726 0.845 1.00 12.43 H new ATOM 0 HE2 LYS A 34 -10.417 -30.321 2.081 1.00 1.31 H new ATOM 0 HE3 LYS A 34 -11.323 -29.653 0.738 1.00 1.31 H new ATOM 0 HZ1 LYS A 34 -10.910 -32.037 0.416 1.00 30.21 H new ATOM 0 HZ2 LYS A 34 -10.112 -31.138 -0.783 1.00 30.21 H new ATOM 0 HZ3 LYS A 34 -9.234 -31.786 0.518 1.00 30.21 H new ATOM 572 N ASP A 35 -8.125 -24.444 3.308 1.00 62.14 N ATOM 573 CA ASP A 35 -8.446 -24.145 4.733 1.00 21.40 C ATOM 574 C ASP A 35 -9.283 -22.868 4.844 1.00 12.15 C ATOM 575 O ASP A 35 -10.456 -22.910 5.159 1.00 2.40 O ATOM 576 CB ASP A 35 -7.087 -23.964 5.414 1.00 23.14 C ATOM 577 CG ASP A 35 -7.251 -24.123 6.926 1.00 21.24 C ATOM 578 OD1 ASP A 35 -7.907 -23.288 7.522 1.00 34.14 O ATOM 579 OD2 ASP A 35 -6.713 -25.077 7.463 1.00 72.50 O ATOM 0 H ASP A 35 -7.344 -23.917 2.918 1.00 62.14 H new ATOM 0 HA ASP A 35 -9.033 -24.938 5.196 1.00 21.40 H new ATOM 0 HB2 ASP A 35 -6.377 -24.699 5.035 1.00 23.14 H new ATOM 0 HB3 ASP A 35 -6.680 -22.979 5.183 1.00 23.14 H new ATOM 584 N ASP A 36 -8.693 -21.733 4.595 1.00 33.20 N ATOM 585 CA ASP A 36 -9.457 -20.458 4.694 1.00 65.30 C ATOM 586 C ASP A 36 -8.671 -19.320 4.050 1.00 52.40 C ATOM 587 O ASP A 36 -7.524 -19.474 3.679 1.00 52.34 O ATOM 588 CB ASP A 36 -9.622 -20.205 6.194 1.00 1.42 C ATOM 589 CG ASP A 36 -10.892 -20.897 6.696 1.00 14.25 C ATOM 590 OD1 ASP A 36 -11.966 -20.472 6.306 1.00 41.41 O ATOM 591 OD2 ASP A 36 -10.764 -21.840 7.457 1.00 44.11 O ATOM 0 H ASP A 36 -7.714 -21.633 4.327 1.00 33.20 H new ATOM 0 HA ASP A 36 -10.417 -20.516 4.181 1.00 65.30 H new ATOM 0 HB2 ASP A 36 -8.753 -20.581 6.734 1.00 1.42 H new ATOM 0 HB3 ASP A 36 -9.679 -19.134 6.388 1.00 1.42 H new ATOM 596 N PHE A 37 -9.272 -18.173 3.926 1.00 31.52 N ATOM 597 CA PHE A 37 -8.552 -17.020 3.320 1.00 11.23 C ATOM 598 C PHE A 37 -8.514 -15.859 4.315 1.00 34.12 C ATOM 599 O PHE A 37 -9.469 -15.121 4.463 1.00 41.15 O ATOM 600 CB PHE A 37 -9.382 -16.645 2.093 1.00 14.02 C ATOM 601 CG PHE A 37 -9.065 -17.581 0.951 1.00 14.13 C ATOM 602 CD1 PHE A 37 -7.982 -17.312 0.106 1.00 41.41 C ATOM 603 CD2 PHE A 37 -9.860 -18.714 0.732 1.00 33.30 C ATOM 604 CE1 PHE A 37 -7.691 -18.177 -0.957 1.00 70.24 C ATOM 605 CE2 PHE A 37 -9.566 -19.579 -0.329 1.00 33.13 C ATOM 606 CZ PHE A 37 -8.483 -19.309 -1.174 1.00 12.05 C ATOM 0 H PHE A 37 -10.231 -17.983 4.218 1.00 31.52 H new ATOM 0 HA PHE A 37 -7.521 -17.256 3.058 1.00 11.23 H new ATOM 0 HB2 PHE A 37 -10.444 -16.696 2.332 1.00 14.02 H new ATOM 0 HB3 PHE A 37 -9.170 -15.616 1.801 1.00 14.02 H new ATOM 0 HD1 PHE A 37 -7.371 -16.438 0.273 1.00 41.41 H new ATOM 0 HD2 PHE A 37 -10.698 -18.920 1.381 1.00 33.30 H new ATOM 0 HE1 PHE A 37 -6.855 -17.970 -1.609 1.00 70.24 H new ATOM 0 HE2 PHE A 37 -10.175 -20.455 -0.496 1.00 33.13 H new ATOM 0 HZ PHE A 37 -8.259 -19.975 -1.994 1.00 12.05 H new ATOM 616 N SER A 38 -7.416 -15.693 5.001 1.00 14.34 N ATOM 617 CA SER A 38 -7.307 -14.584 5.991 1.00 14.02 C ATOM 618 C SER A 38 -6.289 -13.542 5.522 1.00 51.12 C ATOM 619 O SER A 38 -6.185 -12.467 6.076 1.00 1.14 O ATOM 620 CB SER A 38 -6.828 -15.246 7.282 1.00 2.33 C ATOM 621 OG SER A 38 -6.467 -14.242 8.219 1.00 75.10 O ATOM 0 H SER A 38 -6.586 -16.280 4.918 1.00 14.34 H new ATOM 0 HA SER A 38 -8.256 -14.064 6.123 1.00 14.02 H new ATOM 0 HB2 SER A 38 -7.615 -15.878 7.694 1.00 2.33 H new ATOM 0 HB3 SER A 38 -5.975 -15.893 7.078 1.00 2.33 H new ATOM 0 HG SER A 38 -6.161 -14.664 9.049 1.00 75.10 H new ATOM 627 N ARG A 39 -5.526 -13.860 4.515 1.00 65.05 N ATOM 628 CA ARG A 39 -4.501 -12.891 4.026 1.00 24.30 C ATOM 629 C ARG A 39 -5.079 -12.000 2.926 1.00 3.13 C ATOM 630 O ARG A 39 -4.574 -10.927 2.657 1.00 60.41 O ATOM 631 CB ARG A 39 -3.365 -13.754 3.482 1.00 41.12 C ATOM 632 CG ARG A 39 -2.055 -12.965 3.539 1.00 2.20 C ATOM 633 CD ARG A 39 -1.038 -13.725 4.394 1.00 31.21 C ATOM 634 NE ARG A 39 -1.132 -13.107 5.746 1.00 44.11 N ATOM 635 CZ ARG A 39 -0.726 -11.880 5.934 1.00 74.04 C ATOM 636 NH1 ARG A 39 0.261 -11.404 5.226 1.00 31.32 N ATOM 637 NH2 ARG A 39 -1.308 -11.131 6.831 1.00 74.21 N ATOM 0 H ARG A 39 -5.565 -14.745 4.009 1.00 65.05 H new ATOM 0 HA ARG A 39 -4.162 -12.223 4.818 1.00 24.30 H new ATOM 0 HB2 ARG A 39 -3.277 -14.669 4.067 1.00 41.12 H new ATOM 0 HB3 ARG A 39 -3.579 -14.051 2.455 1.00 41.12 H new ATOM 0 HG2 ARG A 39 -1.663 -12.818 2.533 1.00 2.20 H new ATOM 0 HG3 ARG A 39 -2.232 -11.975 3.960 1.00 2.20 H new ATOM 0 HD2 ARG A 39 -1.270 -14.789 4.430 1.00 31.21 H new ATOM 0 HD3 ARG A 39 -0.031 -13.631 3.986 1.00 31.21 H new ATOM 0 HE ARG A 39 -1.514 -13.643 6.526 1.00 44.11 H new ATOM 0 HH11 ARG A 39 0.715 -11.990 4.526 1.00 31.32 H new ATOM 0 HH12 ARG A 39 0.578 -10.446 5.373 1.00 31.32 H new ATOM 0 HH21 ARG A 39 -2.079 -11.504 7.384 1.00 74.21 H new ATOM 0 HH22 ARG A 39 -0.991 -10.173 6.978 1.00 74.21 H new ATOM 651 N VAL A 40 -6.131 -12.428 2.287 1.00 54.24 N ATOM 652 CA VAL A 40 -6.729 -11.594 1.209 1.00 72.13 C ATOM 653 C VAL A 40 -7.280 -10.296 1.806 1.00 34.02 C ATOM 654 O VAL A 40 -7.907 -10.305 2.845 1.00 41.03 O ATOM 655 CB VAL A 40 -7.858 -12.442 0.629 1.00 14.33 C ATOM 656 CG1 VAL A 40 -8.927 -12.666 1.699 1.00 73.13 C ATOM 657 CG2 VAL A 40 -8.475 -11.718 -0.571 1.00 32.32 C ATOM 0 H VAL A 40 -6.601 -13.316 2.464 1.00 54.24 H new ATOM 0 HA VAL A 40 -6.003 -11.315 0.445 1.00 72.13 H new ATOM 0 HB VAL A 40 -7.462 -13.405 0.306 1.00 14.33 H new ATOM 0 HG11 VAL A 40 -9.734 -13.271 1.286 1.00 73.13 H new ATOM 0 HG12 VAL A 40 -8.486 -13.182 2.552 1.00 73.13 H new ATOM 0 HG13 VAL A 40 -9.324 -11.704 2.023 1.00 73.13 H new ATOM 0 HG21 VAL A 40 -9.281 -12.323 -0.986 1.00 32.32 H new ATOM 0 HG22 VAL A 40 -8.872 -10.755 -0.250 1.00 32.32 H new ATOM 0 HG23 VAL A 40 -7.711 -11.560 -1.333 1.00 32.32 H new ATOM 667 N PRO A 41 -7.019 -9.218 1.123 1.00 12.13 N ATOM 668 CA PRO A 41 -7.486 -7.886 1.585 1.00 12.03 C ATOM 669 C PRO A 41 -9.009 -7.775 1.469 1.00 13.43 C ATOM 670 O PRO A 41 -9.601 -8.197 0.495 1.00 14.12 O ATOM 671 CB PRO A 41 -6.794 -6.915 0.625 1.00 64.12 C ATOM 672 CG PRO A 41 -6.520 -7.724 -0.600 1.00 44.13 C ATOM 673 CD PRO A 41 -6.273 -9.134 -0.135 1.00 42.32 C ATOM 0 HA PRO A 41 -7.251 -7.690 2.631 1.00 12.03 H new ATOM 0 HB2 PRO A 41 -7.431 -6.059 0.400 1.00 64.12 H new ATOM 0 HB3 PRO A 41 -5.872 -6.523 1.055 1.00 64.12 H new ATOM 0 HG2 PRO A 41 -7.365 -7.685 -1.288 1.00 44.13 H new ATOM 0 HG3 PRO A 41 -5.654 -7.335 -1.136 1.00 44.13 H new ATOM 0 HD2 PRO A 41 -6.629 -9.864 -0.862 1.00 42.32 H new ATOM 0 HD3 PRO A 41 -5.211 -9.326 0.015 1.00 42.32 H new ATOM 681 N GLU A 42 -9.646 -7.209 2.457 1.00 43.32 N ATOM 682 CA GLU A 42 -11.130 -7.068 2.402 1.00 73.34 C ATOM 683 C GLU A 42 -11.529 -6.211 1.199 1.00 14.04 C ATOM 684 O GLU A 42 -12.680 -6.163 0.814 1.00 31.44 O ATOM 685 CB GLU A 42 -11.512 -6.377 3.711 1.00 62.14 C ATOM 686 CG GLU A 42 -13.029 -6.456 3.903 1.00 1.32 C ATOM 687 CD GLU A 42 -13.608 -5.043 3.979 1.00 23.11 C ATOM 688 OE1 GLU A 42 -12.917 -4.118 3.585 1.00 51.40 O ATOM 689 OE2 GLU A 42 -14.735 -4.909 4.429 1.00 61.41 O ATOM 0 H GLU A 42 -9.205 -6.838 3.299 1.00 43.32 H new ATOM 0 HA GLU A 42 -11.636 -8.027 2.290 1.00 73.34 H new ATOM 0 HB2 GLU A 42 -11.003 -6.853 4.549 1.00 62.14 H new ATOM 0 HB3 GLU A 42 -11.190 -5.336 3.693 1.00 62.14 H new ATOM 0 HG2 GLU A 42 -13.483 -7.002 3.076 1.00 1.32 H new ATOM 0 HG3 GLU A 42 -13.263 -7.006 4.815 1.00 1.32 H new ATOM 696 N GLU A 43 -10.582 -5.541 0.597 1.00 60.42 N ATOM 697 CA GLU A 43 -10.907 -4.696 -0.586 1.00 75.43 C ATOM 698 C GLU A 43 -11.224 -5.592 -1.783 1.00 32.50 C ATOM 699 O GLU A 43 -12.125 -5.327 -2.552 1.00 43.11 O ATOM 700 CB GLU A 43 -9.645 -3.871 -0.847 1.00 4.32 C ATOM 701 CG GLU A 43 -9.350 -2.984 0.365 1.00 15.34 C ATOM 702 CD GLU A 43 -8.144 -2.092 0.063 1.00 63.05 C ATOM 703 OE1 GLU A 43 -7.294 -2.518 -0.698 1.00 72.33 O ATOM 704 OE2 GLU A 43 -8.095 -0.997 0.598 1.00 34.10 O ATOM 0 H GLU A 43 -9.600 -5.543 0.874 1.00 60.42 H new ATOM 0 HA GLU A 43 -11.775 -4.058 -0.420 1.00 75.43 H new ATOM 0 HB2 GLU A 43 -8.800 -4.532 -1.041 1.00 4.32 H new ATOM 0 HB3 GLU A 43 -9.779 -3.255 -1.737 1.00 4.32 H new ATOM 0 HG2 GLU A 43 -10.220 -2.371 0.600 1.00 15.34 H new ATOM 0 HG3 GLU A 43 -9.149 -3.601 1.241 1.00 15.34 H new ATOM 711 N LEU A 44 -10.486 -6.657 -1.939 1.00 42.11 N ATOM 712 CA LEU A 44 -10.740 -7.584 -3.078 1.00 14.30 C ATOM 713 C LEU A 44 -11.744 -8.660 -2.661 1.00 63.01 C ATOM 714 O LEU A 44 -12.698 -8.939 -3.360 1.00 43.01 O ATOM 715 CB LEU A 44 -9.379 -8.211 -3.389 1.00 22.40 C ATOM 716 CG LEU A 44 -9.037 -7.990 -4.862 1.00 51.52 C ATOM 717 CD1 LEU A 44 -7.626 -8.509 -5.143 1.00 12.05 C ATOM 718 CD2 LEU A 44 -10.043 -8.740 -5.739 1.00 43.00 C ATOM 0 H LEU A 44 -9.717 -6.926 -1.326 1.00 42.11 H new ATOM 0 HA LEU A 44 -11.159 -7.073 -3.945 1.00 14.30 H new ATOM 0 HB2 LEU A 44 -8.610 -7.768 -2.756 1.00 22.40 H new ATOM 0 HB3 LEU A 44 -9.399 -9.278 -3.166 1.00 22.40 H new ATOM 0 HG LEU A 44 -9.083 -6.925 -5.089 1.00 51.52 H new ATOM 0 HD11 LEU A 44 -7.383 -8.351 -6.194 1.00 12.05 H new ATOM 0 HD12 LEU A 44 -6.910 -7.972 -4.520 1.00 12.05 H new ATOM 0 HD13 LEU A 44 -7.578 -9.574 -4.916 1.00 12.05 H new ATOM 0 HD21 LEU A 44 -9.799 -8.582 -6.789 1.00 43.00 H new ATOM 0 HD22 LEU A 44 -10.000 -9.805 -5.513 1.00 43.00 H new ATOM 0 HD23 LEU A 44 -11.048 -8.367 -5.540 1.00 43.00 H new ATOM 730 N MET A 45 -11.542 -9.263 -1.521 1.00 5.51 N ATOM 731 CA MET A 45 -12.494 -10.314 -1.058 1.00 60.42 C ATOM 732 C MET A 45 -13.929 -9.790 -1.155 1.00 20.41 C ATOM 733 O MET A 45 -14.867 -10.542 -1.329 1.00 2.33 O ATOM 734 CB MET A 45 -12.115 -10.580 0.399 1.00 74.13 C ATOM 735 CG MET A 45 -12.995 -11.698 0.961 1.00 71.02 C ATOM 736 SD MET A 45 -12.042 -12.679 2.147 1.00 31.05 S ATOM 737 CE MET A 45 -11.683 -14.079 1.060 1.00 30.42 C ATOM 0 H MET A 45 -10.762 -9.075 -0.892 1.00 5.51 H new ATOM 0 HA MET A 45 -12.441 -11.221 -1.660 1.00 60.42 H new ATOM 0 HB2 MET A 45 -11.064 -10.862 0.467 1.00 74.13 H new ATOM 0 HB3 MET A 45 -12.241 -9.673 0.990 1.00 74.13 H new ATOM 0 HG2 MET A 45 -13.874 -11.274 1.447 1.00 71.02 H new ATOM 0 HG3 MET A 45 -13.354 -12.334 0.152 1.00 71.02 H new ATOM 0 HE1 MET A 45 -11.266 -14.898 1.647 1.00 30.42 H new ATOM 0 HE2 MET A 45 -12.602 -14.410 0.577 1.00 30.42 H new ATOM 0 HE3 MET A 45 -10.963 -13.774 0.300 1.00 30.42 H new ATOM 747 N LYS A 46 -14.104 -8.501 -1.042 1.00 43.53 N ATOM 748 CA LYS A 46 -15.474 -7.921 -1.126 1.00 42.41 C ATOM 749 C LYS A 46 -16.209 -8.477 -2.350 1.00 72.42 C ATOM 750 O LYS A 46 -17.380 -8.793 -2.291 1.00 25.02 O ATOM 751 CB LYS A 46 -15.259 -6.415 -1.268 1.00 33.53 C ATOM 752 CG LYS A 46 -16.329 -5.668 -0.474 1.00 21.05 C ATOM 753 CD LYS A 46 -17.010 -4.637 -1.379 1.00 3.15 C ATOM 754 CE LYS A 46 -17.063 -3.287 -0.660 1.00 13.42 C ATOM 755 NZ LYS A 46 -15.719 -2.682 -0.885 1.00 24.14 N ATOM 0 H LYS A 46 -13.355 -7.824 -0.895 1.00 43.53 H new ATOM 0 HA LYS A 46 -16.080 -8.165 -0.254 1.00 42.41 H new ATOM 0 HB2 LYS A 46 -14.267 -6.143 -0.906 1.00 33.53 H new ATOM 0 HB3 LYS A 46 -15.305 -6.128 -2.319 1.00 33.53 H new ATOM 0 HG2 LYS A 46 -17.066 -6.371 -0.086 1.00 21.05 H new ATOM 0 HG3 LYS A 46 -15.879 -5.172 0.386 1.00 21.05 H new ATOM 0 HD2 LYS A 46 -16.462 -4.541 -2.316 1.00 3.15 H new ATOM 0 HD3 LYS A 46 -18.018 -4.967 -1.631 1.00 3.15 H new ATOM 0 HE2 LYS A 46 -17.854 -2.655 -1.064 1.00 13.42 H new ATOM 0 HE3 LYS A 46 -17.267 -3.413 0.403 1.00 13.42 H new ATOM 0 HZ1 LYS A 46 -15.675 -1.752 -0.422 1.00 24.14 H new ATOM 0 HZ2 LYS A 46 -14.987 -3.303 -0.485 1.00 24.14 H new ATOM 0 HZ3 LYS A 46 -15.556 -2.568 -1.906 1.00 24.14 H new ATOM 769 N GLY A 47 -15.530 -8.596 -3.458 1.00 63.21 N ATOM 770 CA GLY A 47 -16.193 -9.131 -4.681 1.00 12.03 C ATOM 771 C GLY A 47 -16.342 -10.648 -4.554 1.00 72.05 C ATOM 772 O GLY A 47 -17.332 -11.220 -4.965 1.00 70.12 O ATOM 0 H GLY A 47 -14.547 -8.347 -3.569 1.00 63.21 H new ATOM 0 HA2 GLY A 47 -17.171 -8.668 -4.810 1.00 12.03 H new ATOM 0 HA3 GLY A 47 -15.604 -8.885 -5.565 1.00 12.03 H new ATOM 776 N PHE A 48 -15.365 -11.304 -3.991 1.00 62.24 N ATOM 777 CA PHE A 48 -15.450 -12.785 -3.835 1.00 33.44 C ATOM 778 C PHE A 48 -16.520 -13.148 -2.801 1.00 60.42 C ATOM 779 O PHE A 48 -17.417 -13.921 -3.068 1.00 1.40 O ATOM 780 CB PHE A 48 -14.064 -13.210 -3.349 1.00 23.21 C ATOM 781 CG PHE A 48 -13.617 -14.438 -4.102 1.00 33.05 C ATOM 782 CD1 PHE A 48 -14.456 -15.557 -4.181 1.00 71.43 C ATOM 783 CD2 PHE A 48 -12.360 -14.461 -4.718 1.00 43.51 C ATOM 784 CE1 PHE A 48 -14.036 -16.696 -4.878 1.00 42.54 C ATOM 785 CE2 PHE A 48 -11.942 -15.601 -5.416 1.00 31.51 C ATOM 786 CZ PHE A 48 -12.780 -16.718 -5.495 1.00 24.01 C ATOM 0 H PHE A 48 -14.510 -10.879 -3.632 1.00 62.24 H new ATOM 0 HA PHE A 48 -15.727 -13.284 -4.763 1.00 33.44 H new ATOM 0 HB2 PHE A 48 -13.351 -12.400 -3.499 1.00 23.21 H new ATOM 0 HB3 PHE A 48 -14.091 -13.417 -2.279 1.00 23.21 H new ATOM 0 HD1 PHE A 48 -15.425 -15.541 -3.705 1.00 71.43 H new ATOM 0 HD2 PHE A 48 -11.712 -13.599 -4.655 1.00 43.51 H new ATOM 0 HE1 PHE A 48 -14.682 -17.559 -4.940 1.00 42.54 H new ATOM 0 HE2 PHE A 48 -10.973 -15.618 -5.893 1.00 31.51 H new ATOM 0 HZ PHE A 48 -12.458 -17.598 -6.032 1.00 24.01 H new ATOM 796 N GLY A 49 -16.430 -12.598 -1.618 1.00 23.12 N ATOM 797 CA GLY A 49 -17.441 -12.916 -0.570 1.00 20.51 C ATOM 798 C GLY A 49 -17.293 -14.379 -0.151 1.00 3.40 C ATOM 799 O GLY A 49 -16.423 -14.728 0.621 1.00 12.51 O ATOM 0 H GLY A 49 -15.701 -11.944 -1.334 1.00 23.12 H new ATOM 0 HA2 GLY A 49 -17.305 -12.263 0.292 1.00 20.51 H new ATOM 0 HA3 GLY A 49 -18.446 -12.735 -0.951 1.00 20.51 H new ATOM 803 N GLN A 50 -18.132 -15.239 -0.657 1.00 51.42 N ATOM 804 CA GLN A 50 -18.032 -16.681 -0.292 1.00 1.51 C ATOM 805 C GLN A 50 -17.442 -17.472 -1.462 1.00 4.12 C ATOM 806 O GLN A 50 -18.100 -17.687 -2.462 1.00 5.31 O ATOM 807 CB GLN A 50 -19.469 -17.122 -0.012 1.00 73.22 C ATOM 808 CG GLN A 50 -19.734 -17.071 1.495 1.00 14.13 C ATOM 809 CD GLN A 50 -19.717 -15.617 1.970 1.00 33.24 C ATOM 810 OE1 GLN A 50 -18.577 -15.051 2.259 1.00 21.24 O flip ATOM 811 NE2 GLN A 50 -20.751 -14.988 2.077 1.00 11.41 N flip ATOM 0 H GLN A 50 -18.883 -15.007 -1.307 1.00 51.42 H new ATOM 0 HA GLN A 50 -17.385 -16.850 0.569 1.00 1.51 H new ATOM 0 HB2 GLN A 50 -20.169 -16.472 -0.537 1.00 73.22 H new ATOM 0 HB3 GLN A 50 -19.630 -18.133 -0.386 1.00 73.22 H new ATOM 0 HG2 GLN A 50 -20.698 -17.527 1.721 1.00 14.13 H new ATOM 0 HG3 GLN A 50 -18.977 -17.647 2.027 1.00 14.13 H new ATOM 0 HE21 GLN A 50 -21.642 -15.430 1.851 1.00 11.41 H new ATOM 0 HE22 GLN A 50 -20.728 -14.018 2.392 1.00 11.41 H new ATOM 820 N PRO A 51 -16.211 -17.872 -1.297 1.00 53.14 N ATOM 821 CA PRO A 51 -15.510 -18.643 -2.356 1.00 22.25 C ATOM 822 C PRO A 51 -16.075 -20.062 -2.456 1.00 12.13 C ATOM 823 O PRO A 51 -16.644 -20.585 -1.518 1.00 31.14 O ATOM 824 CB PRO A 51 -14.059 -18.665 -1.880 1.00 70.11 C ATOM 825 CG PRO A 51 -14.136 -18.485 -0.398 1.00 10.20 C ATOM 826 CD PRO A 51 -15.361 -17.653 -0.121 1.00 41.34 C ATOM 0 HA PRO A 51 -15.623 -18.206 -3.348 1.00 22.25 H new ATOM 0 HB2 PRO A 51 -13.573 -19.606 -2.139 1.00 70.11 H new ATOM 0 HB3 PRO A 51 -13.479 -17.868 -2.345 1.00 70.11 H new ATOM 0 HG2 PRO A 51 -14.203 -19.450 0.105 1.00 10.20 H new ATOM 0 HG3 PRO A 51 -13.240 -17.991 -0.022 1.00 10.20 H new ATOM 0 HD2 PRO A 51 -15.859 -17.968 0.796 1.00 41.34 H new ATOM 0 HD3 PRO A 51 -15.109 -16.599 -0.001 1.00 41.34 H new ATOM 834 N GLN A 52 -15.917 -20.688 -3.590 1.00 13.21 N ATOM 835 CA GLN A 52 -16.436 -22.074 -3.758 1.00 64.21 C ATOM 836 C GLN A 52 -15.348 -22.970 -4.355 1.00 75.31 C ATOM 837 O GLN A 52 -14.448 -22.505 -5.025 1.00 44.11 O ATOM 838 CB GLN A 52 -17.614 -21.941 -4.725 1.00 64.03 C ATOM 839 CG GLN A 52 -18.555 -20.843 -4.231 1.00 65.10 C ATOM 840 CD GLN A 52 -18.989 -21.149 -2.798 1.00 23.34 C ATOM 841 OE1 GLN A 52 -18.854 -22.265 -2.336 1.00 52.21 O ATOM 842 NE2 GLN A 52 -19.508 -20.201 -2.068 1.00 72.21 N ATOM 0 H GLN A 52 -15.450 -20.298 -4.409 1.00 13.21 H new ATOM 0 HA GLN A 52 -16.737 -22.524 -2.812 1.00 64.21 H new ATOM 0 HB2 GLN A 52 -17.252 -21.702 -5.725 1.00 64.03 H new ATOM 0 HB3 GLN A 52 -18.149 -22.888 -4.797 1.00 64.03 H new ATOM 0 HG2 GLN A 52 -18.055 -19.875 -4.272 1.00 65.10 H new ATOM 0 HG3 GLN A 52 -19.428 -20.778 -4.881 1.00 65.10 H new ATOM 0 HE21 GLN A 52 -19.622 -19.264 -2.455 1.00 72.21 H new ATOM 0 HE22 GLN A 52 -19.800 -20.397 -1.110 1.00 72.21 H new ATOM 851 N LEU A 53 -15.420 -24.250 -4.117 1.00 12.15 N ATOM 852 CA LEU A 53 -14.384 -25.166 -4.677 1.00 32.51 C ATOM 853 C LEU A 53 -14.749 -25.569 -6.105 1.00 11.24 C ATOM 854 O LEU A 53 -15.608 -26.401 -6.326 1.00 21.23 O ATOM 855 CB LEU A 53 -14.388 -26.387 -3.754 1.00 34.01 C ATOM 856 CG LEU A 53 -12.964 -26.931 -3.617 1.00 72.04 C ATOM 857 CD1 LEU A 53 -12.364 -27.162 -5.004 1.00 44.40 C ATOM 858 CD2 LEU A 53 -12.102 -25.922 -2.854 1.00 72.11 C ATOM 0 H LEU A 53 -16.147 -24.701 -3.562 1.00 12.15 H new ATOM 0 HA LEU A 53 -13.402 -24.696 -4.723 1.00 32.51 H new ATOM 0 HB2 LEU A 53 -14.780 -26.114 -2.774 1.00 34.01 H new ATOM 0 HB3 LEU A 53 -15.045 -27.158 -4.156 1.00 34.01 H new ATOM 0 HG LEU A 53 -12.992 -27.875 -3.072 1.00 72.04 H new ATOM 0 HD11 LEU A 53 -11.350 -27.549 -4.902 1.00 44.40 H new ATOM 0 HD12 LEU A 53 -12.974 -27.882 -5.549 1.00 44.40 H new ATOM 0 HD13 LEU A 53 -12.339 -26.220 -5.551 1.00 44.40 H new ATOM 0 HD21 LEU A 53 -11.088 -26.310 -2.757 1.00 72.11 H new ATOM 0 HD22 LEU A 53 -12.079 -24.978 -3.399 1.00 72.11 H new ATOM 0 HD23 LEU A 53 -12.525 -25.759 -1.863 1.00 72.11 H new ATOM 870 N ALA A 54 -14.103 -24.986 -7.078 1.00 12.51 N ATOM 871 CA ALA A 54 -14.411 -25.337 -8.494 1.00 74.13 C ATOM 872 C ALA A 54 -13.447 -26.420 -8.989 1.00 41.40 C ATOM 873 O ALA A 54 -13.826 -27.320 -9.712 1.00 21.23 O ATOM 874 CB ALA A 54 -14.211 -24.039 -9.273 1.00 1.14 C ATOM 0 H ALA A 54 -13.375 -24.282 -6.954 1.00 12.51 H new ATOM 0 HA ALA A 54 -15.420 -25.732 -8.615 1.00 74.13 H new ATOM 0 HB1 ALA A 54 -14.419 -24.213 -10.329 1.00 1.14 H new ATOM 0 HB2 ALA A 54 -14.890 -23.277 -8.890 1.00 1.14 H new ATOM 0 HB3 ALA A 54 -13.182 -23.700 -9.157 1.00 1.14 H new ATOM 880 N MET A 55 -12.204 -26.339 -8.602 1.00 52.13 N ATOM 881 CA MET A 55 -11.213 -27.364 -9.046 1.00 44.42 C ATOM 882 C MET A 55 -10.037 -27.418 -8.066 1.00 3.21 C ATOM 883 O MET A 55 -9.579 -26.406 -7.575 1.00 22.13 O ATOM 884 CB MET A 55 -10.743 -26.891 -10.422 1.00 2.12 C ATOM 885 CG MET A 55 -11.011 -27.985 -11.455 1.00 72.14 C ATOM 886 SD MET A 55 -9.503 -28.295 -12.411 1.00 14.01 S ATOM 887 CE MET A 55 -9.991 -29.899 -13.086 1.00 43.32 C ATOM 0 H MET A 55 -11.830 -25.608 -7.997 1.00 52.13 H new ATOM 0 HA MET A 55 -11.642 -28.365 -9.085 1.00 44.42 H new ATOM 0 HB2 MET A 55 -11.265 -25.976 -10.702 1.00 2.12 H new ATOM 0 HB3 MET A 55 -9.679 -26.655 -10.394 1.00 2.12 H new ATOM 0 HG2 MET A 55 -11.333 -28.899 -10.957 1.00 72.14 H new ATOM 0 HG3 MET A 55 -11.820 -27.682 -12.120 1.00 72.14 H new ATOM 0 HE1 MET A 55 -9.193 -30.285 -13.720 1.00 43.32 H new ATOM 0 HE2 MET A 55 -10.175 -30.597 -12.269 1.00 43.32 H new ATOM 0 HE3 MET A 55 -10.900 -29.784 -13.676 1.00 43.32 H new ATOM 897 N ILE A 56 -9.547 -28.591 -7.776 1.00 50.15 N ATOM 898 CA ILE A 56 -8.402 -28.706 -6.826 1.00 75.42 C ATOM 899 C ILE A 56 -7.128 -29.112 -7.574 1.00 63.53 C ATOM 900 O ILE A 56 -7.103 -30.090 -8.292 1.00 60.21 O ATOM 901 CB ILE A 56 -8.812 -29.796 -5.838 1.00 14.31 C ATOM 902 CG1 ILE A 56 -9.980 -29.296 -4.985 1.00 1.32 C ATOM 903 CG2 ILE A 56 -7.627 -30.133 -4.931 1.00 32.24 C ATOM 904 CD1 ILE A 56 -10.561 -30.457 -4.179 1.00 51.21 C ATOM 0 H ILE A 56 -9.888 -29.475 -8.154 1.00 50.15 H new ATOM 0 HA ILE A 56 -8.188 -27.762 -6.325 1.00 75.42 H new ATOM 0 HB ILE A 56 -9.116 -30.688 -6.385 1.00 14.31 H new ATOM 0 HG12 ILE A 56 -9.641 -28.507 -4.313 1.00 1.32 H new ATOM 0 HG13 ILE A 56 -10.750 -28.862 -5.623 1.00 1.32 H new ATOM 0 HG21 ILE A 56 -7.919 -30.911 -4.225 1.00 32.24 H new ATOM 0 HG22 ILE A 56 -6.794 -30.487 -5.538 1.00 32.24 H new ATOM 0 HG23 ILE A 56 -7.323 -29.241 -4.383 1.00 32.24 H new ATOM 0 HD11 ILE A 56 -11.393 -30.099 -3.572 1.00 51.21 H new ATOM 0 HD12 ILE A 56 -10.916 -31.231 -4.860 1.00 51.21 H new ATOM 0 HD13 ILE A 56 -9.790 -30.871 -3.529 1.00 51.21 H new ATOM 916 N LEU A 57 -6.072 -28.366 -7.403 1.00 74.13 N ATOM 917 CA LEU A 57 -4.798 -28.705 -8.102 1.00 30.22 C ATOM 918 C LEU A 57 -3.972 -29.672 -7.246 1.00 71.14 C ATOM 919 O LEU A 57 -3.606 -29.357 -6.130 1.00 10.52 O ATOM 920 CB LEU A 57 -4.071 -27.367 -8.263 1.00 21.13 C ATOM 921 CG LEU A 57 -2.574 -27.611 -8.472 1.00 53.21 C ATOM 922 CD1 LEU A 57 -2.371 -28.582 -9.635 1.00 60.23 C ATOM 923 CD2 LEU A 57 -1.887 -26.284 -8.789 1.00 32.42 C ATOM 0 H LEU A 57 -6.035 -27.537 -6.810 1.00 74.13 H new ATOM 0 HA LEU A 57 -4.964 -29.195 -9.062 1.00 30.22 H new ATOM 0 HB2 LEU A 57 -4.481 -26.820 -9.112 1.00 21.13 H new ATOM 0 HB3 LEU A 57 -4.228 -26.749 -7.379 1.00 21.13 H new ATOM 0 HG LEU A 57 -2.144 -28.039 -7.566 1.00 53.21 H new ATOM 0 HD11 LEU A 57 -1.305 -28.755 -9.783 1.00 60.23 H new ATOM 0 HD12 LEU A 57 -2.864 -29.528 -9.410 1.00 60.23 H new ATOM 0 HD13 LEU A 57 -2.799 -28.157 -10.543 1.00 60.23 H new ATOM 0 HD21 LEU A 57 -0.821 -26.453 -8.939 1.00 32.42 H new ATOM 0 HD22 LEU A 57 -2.318 -25.859 -9.696 1.00 32.42 H new ATOM 0 HD23 LEU A 57 -2.032 -25.592 -7.959 1.00 32.42 H new ATOM 935 N PRO A 58 -3.699 -30.823 -7.803 1.00 72.41 N ATOM 936 CA PRO A 58 -2.902 -31.844 -7.082 1.00 65.33 C ATOM 937 C PRO A 58 -1.428 -31.433 -7.039 1.00 14.15 C ATOM 938 O PRO A 58 -1.048 -30.393 -7.539 1.00 23.14 O ATOM 939 CB PRO A 58 -3.088 -33.101 -7.926 1.00 61.41 C ATOM 940 CG PRO A 58 -3.412 -32.604 -9.297 1.00 51.20 C ATOM 941 CD PRO A 58 -4.104 -31.277 -9.135 1.00 61.41 C ATOM 0 HA PRO A 58 -3.213 -31.980 -6.046 1.00 65.33 H new ATOM 0 HB2 PRO A 58 -2.184 -33.710 -7.931 1.00 61.41 H new ATOM 0 HB3 PRO A 58 -3.891 -33.725 -7.533 1.00 61.41 H new ATOM 0 HG2 PRO A 58 -2.505 -32.495 -9.892 1.00 51.20 H new ATOM 0 HG3 PRO A 58 -4.054 -33.312 -9.821 1.00 51.20 H new ATOM 0 HD2 PRO A 58 -3.798 -30.571 -9.907 1.00 61.41 H new ATOM 0 HD3 PRO A 58 -5.187 -31.380 -9.209 1.00 61.41 H new ATOM 949 N LEU A 59 -0.596 -32.244 -6.448 1.00 43.10 N ATOM 950 CA LEU A 59 0.855 -31.902 -6.375 1.00 54.01 C ATOM 951 C LEU A 59 1.685 -32.927 -7.152 1.00 44.20 C ATOM 952 O LEU A 59 2.660 -33.456 -6.658 1.00 54.41 O ATOM 953 CB LEU A 59 1.203 -31.969 -4.892 1.00 15.32 C ATOM 954 CG LEU A 59 0.805 -33.340 -4.338 1.00 30.05 C ATOM 955 CD1 LEU A 59 2.022 -34.002 -3.690 1.00 52.50 C ATOM 956 CD2 LEU A 59 -0.298 -33.166 -3.290 1.00 71.35 C ATOM 0 H LEU A 59 -0.856 -33.129 -6.012 1.00 43.10 H new ATOM 0 HA LEU A 59 1.064 -30.923 -6.807 1.00 54.01 H new ATOM 0 HB2 LEU A 59 2.271 -31.803 -4.750 1.00 15.32 H new ATOM 0 HB3 LEU A 59 0.683 -31.180 -4.349 1.00 15.32 H new ATOM 0 HG LEU A 59 0.440 -33.968 -5.151 1.00 30.05 H new ATOM 0 HD11 LEU A 59 1.738 -34.978 -3.296 1.00 52.50 H new ATOM 0 HD12 LEU A 59 2.808 -34.126 -4.435 1.00 52.50 H new ATOM 0 HD13 LEU A 59 2.388 -33.375 -2.877 1.00 52.50 H new ATOM 0 HD21 LEU A 59 -0.582 -34.142 -2.895 1.00 71.35 H new ATOM 0 HD22 LEU A 59 0.068 -32.538 -2.478 1.00 71.35 H new ATOM 0 HD23 LEU A 59 -1.166 -32.694 -3.750 1.00 71.35 H new ATOM 968 N ASP A 60 1.304 -33.209 -8.362 1.00 42.23 N ATOM 969 CA ASP A 60 2.070 -34.199 -9.172 1.00 44.12 C ATOM 970 C ASP A 60 2.466 -33.591 -10.521 1.00 31.22 C ATOM 971 O ASP A 60 3.519 -33.880 -11.056 1.00 63.43 O ATOM 972 CB ASP A 60 1.111 -35.373 -9.371 1.00 62.43 C ATOM 973 CG ASP A 60 0.009 -34.972 -10.354 1.00 72.21 C ATOM 974 OD1 ASP A 60 -0.597 -33.934 -10.145 1.00 31.24 O ATOM 975 OD2 ASP A 60 -0.211 -35.710 -11.299 1.00 51.01 O ATOM 0 H ASP A 60 0.495 -32.798 -8.829 1.00 42.23 H new ATOM 0 HA ASP A 60 2.994 -34.506 -8.682 1.00 44.12 H new ATOM 0 HB2 ASP A 60 1.654 -36.239 -9.750 1.00 62.43 H new ATOM 0 HB3 ASP A 60 0.673 -35.664 -8.416 1.00 62.43 H new ATOM 980 N GLY A 61 1.633 -32.753 -11.077 1.00 61.24 N ATOM 981 CA GLY A 61 1.964 -32.134 -12.390 1.00 44.40 C ATOM 982 C GLY A 61 1.724 -30.625 -12.326 1.00 33.41 C ATOM 983 O GLY A 61 0.606 -30.167 -12.209 1.00 43.12 O ATOM 0 H GLY A 61 0.738 -32.471 -10.678 1.00 61.24 H new ATOM 0 HA2 GLY A 61 3.004 -32.336 -12.646 1.00 44.40 H new ATOM 0 HA3 GLY A 61 1.351 -32.576 -13.176 1.00 44.40 H new ATOM 987 N ARG A 62 2.770 -29.849 -12.405 1.00 23.03 N ATOM 988 CA ARG A 62 2.606 -28.368 -12.351 1.00 30.42 C ATOM 989 C ARG A 62 2.423 -27.810 -13.765 1.00 21.52 C ATOM 990 O ARG A 62 3.377 -27.592 -14.485 1.00 64.01 O ATOM 991 CB ARG A 62 3.903 -27.841 -11.731 1.00 11.13 C ATOM 992 CG ARG A 62 5.102 -28.409 -12.492 1.00 75.11 C ATOM 993 CD ARG A 62 6.131 -27.299 -12.732 1.00 61.23 C ATOM 994 NE ARG A 62 6.059 -27.019 -14.193 1.00 13.03 N ATOM 995 CZ ARG A 62 7.046 -27.365 -14.974 1.00 14.34 C ATOM 996 NH1 ARG A 62 7.568 -28.557 -14.876 1.00 32.52 N ATOM 997 NH2 ARG A 62 7.509 -26.520 -15.854 1.00 73.52 N ATOM 0 H ARG A 62 3.731 -30.176 -12.505 1.00 23.03 H new ATOM 0 HA ARG A 62 1.732 -28.071 -11.772 1.00 30.42 H new ATOM 0 HB2 ARG A 62 3.919 -26.752 -11.767 1.00 11.13 H new ATOM 0 HB3 ARG A 62 3.958 -28.126 -10.680 1.00 11.13 H new ATOM 0 HG2 ARG A 62 5.555 -29.222 -11.924 1.00 75.11 H new ATOM 0 HG3 ARG A 62 4.776 -28.829 -13.444 1.00 75.11 H new ATOM 0 HD2 ARG A 62 5.896 -26.410 -12.147 1.00 61.23 H new ATOM 0 HD3 ARG A 62 7.131 -27.618 -12.440 1.00 61.23 H new ATOM 0 HE ARG A 62 5.238 -26.557 -14.584 1.00 13.03 H new ATOM 0 HH11 ARG A 62 7.205 -29.218 -14.189 1.00 32.52 H new ATOM 0 HH12 ARG A 62 8.339 -28.828 -15.486 1.00 32.52 H new ATOM 0 HH21 ARG A 62 7.100 -25.589 -15.932 1.00 73.52 H new ATOM 0 HH22 ARG A 62 8.280 -26.791 -16.464 1.00 73.52 H new ATOM 1011 N LYS A 63 1.203 -27.580 -14.169 1.00 12.24 N ATOM 1012 CA LYS A 63 0.960 -27.041 -15.540 1.00 22.10 C ATOM 1013 C LYS A 63 0.418 -25.611 -15.460 1.00 54.25 C ATOM 1014 O LYS A 63 0.092 -25.117 -14.398 1.00 64.05 O ATOM 1015 CB LYS A 63 -0.085 -27.974 -16.149 1.00 42.32 C ATOM 1016 CG LYS A 63 0.606 -28.996 -17.054 1.00 1.12 C ATOM 1017 CD LYS A 63 -0.031 -30.373 -16.853 1.00 31.23 C ATOM 1018 CE LYS A 63 -0.501 -30.920 -18.203 1.00 12.15 C ATOM 1019 NZ LYS A 63 -1.977 -30.712 -18.209 1.00 60.35 N ATOM 0 H LYS A 63 0.365 -27.741 -13.611 1.00 12.24 H new ATOM 0 HA LYS A 63 1.872 -27.001 -16.136 1.00 22.10 H new ATOM 0 HB2 LYS A 63 -0.635 -28.486 -15.359 1.00 42.32 H new ATOM 0 HB3 LYS A 63 -0.812 -27.398 -16.722 1.00 42.32 H new ATOM 0 HG2 LYS A 63 0.517 -28.692 -18.097 1.00 1.12 H new ATOM 0 HG3 LYS A 63 1.671 -29.039 -16.824 1.00 1.12 H new ATOM 0 HD2 LYS A 63 0.689 -31.056 -16.403 1.00 31.23 H new ATOM 0 HD3 LYS A 63 -0.873 -30.299 -16.165 1.00 31.23 H new ATOM 0 HE2 LYS A 63 -0.025 -30.393 -19.030 1.00 12.15 H new ATOM 0 HE3 LYS A 63 -0.250 -31.975 -18.310 1.00 12.15 H new ATOM 0 HZ1 LYS A 63 -2.373 -31.063 -19.104 1.00 60.35 H new ATOM 0 HZ2 LYS A 63 -2.404 -31.230 -17.415 1.00 60.35 H new ATOM 0 HZ3 LYS A 63 -2.185 -29.698 -18.112 1.00 60.35 H new ATOM 1033 N LYS A 64 0.322 -24.940 -16.576 1.00 10.21 N ATOM 1034 CA LYS A 64 -0.197 -23.541 -16.563 1.00 53.40 C ATOM 1035 C LYS A 64 -1.710 -23.536 -16.799 1.00 10.43 C ATOM 1036 O LYS A 64 -2.211 -24.189 -17.693 1.00 52.31 O ATOM 1037 CB LYS A 64 0.525 -22.842 -17.716 1.00 43.24 C ATOM 1038 CG LYS A 64 2.008 -22.691 -17.373 1.00 41.30 C ATOM 1039 CD LYS A 64 2.820 -22.584 -18.665 1.00 12.23 C ATOM 1040 CE LYS A 64 2.986 -21.110 -19.044 1.00 30.41 C ATOM 1041 NZ LYS A 64 1.986 -20.875 -20.123 1.00 40.40 N ATOM 0 H LYS A 64 0.580 -25.299 -17.495 1.00 10.21 H new ATOM 0 HA LYS A 64 -0.022 -23.044 -15.609 1.00 53.40 H new ATOM 0 HB2 LYS A 64 0.410 -23.419 -18.634 1.00 43.24 H new ATOM 0 HB3 LYS A 64 0.081 -21.863 -17.897 1.00 43.24 H new ATOM 0 HG2 LYS A 64 2.162 -21.804 -16.759 1.00 41.30 H new ATOM 0 HG3 LYS A 64 2.346 -23.546 -16.788 1.00 41.30 H new ATOM 0 HD2 LYS A 64 3.797 -23.049 -18.532 1.00 12.23 H new ATOM 0 HD3 LYS A 64 2.317 -23.123 -19.468 1.00 12.23 H new ATOM 0 HE2 LYS A 64 2.804 -20.460 -18.189 1.00 30.41 H new ATOM 0 HE3 LYS A 64 3.998 -20.903 -19.392 1.00 30.41 H new ATOM 0 HZ1 LYS A 64 2.039 -19.885 -20.436 1.00 40.40 H new ATOM 0 HZ2 LYS A 64 2.188 -21.503 -20.927 1.00 40.40 H new ATOM 0 HZ3 LYS A 64 1.031 -21.073 -19.761 1.00 40.40 H new ATOM 1055 N LEU A 65 -2.441 -22.799 -16.011 1.00 41.42 N ATOM 1056 CA LEU A 65 -3.919 -22.748 -16.199 1.00 74.23 C ATOM 1057 C LEU A 65 -4.272 -21.691 -17.247 1.00 23.25 C ATOM 1058 O LEU A 65 -3.494 -20.803 -17.532 1.00 62.52 O ATOM 1059 CB LEU A 65 -4.481 -22.366 -14.829 1.00 23.14 C ATOM 1060 CG LEU A 65 -4.317 -23.540 -13.862 1.00 32.02 C ATOM 1061 CD1 LEU A 65 -4.435 -23.036 -12.422 1.00 14.14 C ATOM 1062 CD2 LEU A 65 -5.410 -24.577 -14.130 1.00 14.43 C ATOM 0 H LEU A 65 -2.080 -22.230 -15.245 1.00 41.42 H new ATOM 0 HA LEU A 65 -4.330 -23.695 -16.551 1.00 74.23 H new ATOM 0 HB2 LEU A 65 -3.962 -21.489 -14.443 1.00 23.14 H new ATOM 0 HB3 LEU A 65 -5.534 -22.099 -14.918 1.00 23.14 H new ATOM 0 HG LEU A 65 -3.338 -23.997 -14.008 1.00 32.02 H new ATOM 0 HD11 LEU A 65 -4.318 -23.873 -11.733 1.00 14.14 H new ATOM 0 HD12 LEU A 65 -3.657 -22.297 -12.230 1.00 14.14 H new ATOM 0 HD13 LEU A 65 -5.414 -22.579 -12.275 1.00 14.14 H new ATOM 0 HD21 LEU A 65 -5.294 -25.414 -13.442 1.00 14.43 H new ATOM 0 HD22 LEU A 65 -6.389 -24.120 -13.984 1.00 14.43 H new ATOM 0 HD23 LEU A 65 -5.327 -24.937 -15.156 1.00 14.43 H new ATOM 1074 N VAL A 66 -5.436 -21.781 -17.830 1.00 43.41 N ATOM 1075 CA VAL A 66 -5.830 -20.784 -18.867 1.00 75.32 C ATOM 1076 C VAL A 66 -6.314 -19.483 -18.215 1.00 44.50 C ATOM 1077 O VAL A 66 -6.583 -18.507 -18.889 1.00 3.12 O ATOM 1078 CB VAL A 66 -6.958 -21.453 -19.652 1.00 65.10 C ATOM 1079 CG1 VAL A 66 -8.156 -21.691 -18.731 1.00 73.04 C ATOM 1080 CG2 VAL A 66 -7.378 -20.544 -20.806 1.00 21.34 C ATOM 0 H VAL A 66 -6.131 -22.501 -17.634 1.00 43.41 H new ATOM 0 HA VAL A 66 -4.993 -20.511 -19.510 1.00 75.32 H new ATOM 0 HB VAL A 66 -6.609 -22.408 -20.044 1.00 65.10 H new ATOM 0 HG11 VAL A 66 -8.958 -22.168 -19.294 1.00 73.04 H new ATOM 0 HG12 VAL A 66 -7.858 -22.337 -17.906 1.00 73.04 H new ATOM 0 HG13 VAL A 66 -8.507 -20.737 -18.337 1.00 73.04 H new ATOM 0 HG21 VAL A 66 -8.183 -21.018 -21.368 1.00 21.34 H new ATOM 0 HG22 VAL A 66 -7.725 -19.590 -20.410 1.00 21.34 H new ATOM 0 HG23 VAL A 66 -6.526 -20.375 -21.464 1.00 21.34 H new ATOM 1090 N ASN A 67 -6.422 -19.451 -16.914 1.00 13.31 N ATOM 1091 CA ASN A 67 -6.881 -18.201 -16.238 1.00 14.12 C ATOM 1092 C ASN A 67 -5.718 -17.553 -15.482 1.00 11.53 C ATOM 1093 O ASN A 67 -5.367 -16.415 -15.723 1.00 11.33 O ATOM 1094 CB ASN A 67 -7.978 -18.641 -15.267 1.00 12.41 C ATOM 1095 CG ASN A 67 -9.053 -19.419 -16.029 1.00 21.33 C ATOM 1096 OD1 ASN A 67 -9.414 -19.057 -17.130 1.00 11.32 O ATOM 1097 ND2 ASN A 67 -9.584 -20.479 -15.483 1.00 34.14 N ATOM 0 H ASN A 67 -6.214 -20.232 -16.292 1.00 13.31 H new ATOM 0 HA ASN A 67 -7.249 -17.462 -16.950 1.00 14.12 H new ATOM 0 HB2 ASN A 67 -7.553 -19.264 -14.480 1.00 12.41 H new ATOM 0 HB3 ASN A 67 -8.419 -17.770 -14.782 1.00 12.41 H new ATOM 0 HD21 ASN A 67 -10.303 -21.004 -15.981 1.00 34.14 H new ATOM 0 HD22 ASN A 67 -9.280 -20.783 -14.558 1.00 34.14 H new ATOM 1104 N ALA A 68 -5.115 -18.268 -14.572 1.00 13.14 N ATOM 1105 CA ALA A 68 -3.971 -17.691 -13.807 1.00 23.41 C ATOM 1106 C ALA A 68 -2.726 -18.554 -13.998 1.00 11.11 C ATOM 1107 O ALA A 68 -2.815 -19.736 -14.266 1.00 42.21 O ATOM 1108 CB ALA A 68 -4.414 -17.712 -12.343 1.00 63.41 C ATOM 0 H ALA A 68 -5.364 -19.226 -14.325 1.00 13.14 H new ATOM 0 HA ALA A 68 -3.720 -16.684 -14.140 1.00 23.41 H new ATOM 0 HB1 ALA A 68 -3.622 -17.301 -11.717 1.00 63.41 H new ATOM 0 HB2 ALA A 68 -5.316 -17.111 -12.227 1.00 63.41 H new ATOM 0 HB3 ALA A 68 -4.620 -18.738 -12.040 1.00 63.41 H new ATOM 1114 N ASP A 69 -1.566 -17.978 -13.858 1.00 31.31 N ATOM 1115 CA ASP A 69 -0.323 -18.777 -14.025 1.00 14.44 C ATOM 1116 C ASP A 69 0.057 -19.421 -12.693 1.00 11.52 C ATOM 1117 O ASP A 69 0.464 -18.755 -11.762 1.00 54.31 O ATOM 1118 CB ASP A 69 0.745 -17.773 -14.458 1.00 22.04 C ATOM 1119 CG ASP A 69 0.423 -17.256 -15.863 1.00 24.05 C ATOM 1120 OD1 ASP A 69 0.152 -18.073 -16.726 1.00 65.21 O ATOM 1121 OD2 ASP A 69 0.454 -16.050 -16.049 1.00 31.42 O ATOM 0 H ASP A 69 -1.425 -16.992 -13.636 1.00 31.31 H new ATOM 0 HA ASP A 69 -0.439 -19.580 -14.753 1.00 14.44 H new ATOM 0 HB2 ASP A 69 0.784 -16.942 -13.754 1.00 22.04 H new ATOM 0 HB3 ASP A 69 1.727 -18.245 -14.449 1.00 22.04 H new ATOM 1126 N ILE A 70 -0.075 -20.712 -12.595 1.00 62.35 N ATOM 1127 CA ILE A 70 0.274 -21.400 -11.319 1.00 21.40 C ATOM 1128 C ILE A 70 1.643 -20.913 -10.818 1.00 2.22 C ATOM 1129 O ILE A 70 1.898 -20.866 -9.633 1.00 45.13 O ATOM 1130 CB ILE A 70 0.277 -22.901 -11.677 1.00 2.04 C ATOM 1131 CG1 ILE A 70 -0.485 -23.676 -10.600 1.00 2.24 C ATOM 1132 CG2 ILE A 70 1.707 -23.444 -11.778 1.00 52.04 C ATOM 1133 CD1 ILE A 70 0.032 -23.274 -9.218 1.00 64.11 C ATOM 0 H ILE A 70 -0.409 -21.322 -13.341 1.00 62.35 H new ATOM 0 HA ILE A 70 -0.426 -21.193 -10.509 1.00 21.40 H new ATOM 0 HB ILE A 70 -0.205 -23.026 -12.646 1.00 2.04 H new ATOM 0 HG12 ILE A 70 -1.552 -23.469 -10.675 1.00 2.24 H new ATOM 0 HG13 ILE A 70 -0.357 -24.748 -10.750 1.00 2.24 H new ATOM 0 HG21 ILE A 70 1.677 -24.504 -12.031 1.00 52.04 H new ATOM 0 HG22 ILE A 70 2.249 -22.901 -12.553 1.00 52.04 H new ATOM 0 HG23 ILE A 70 2.214 -23.314 -10.822 1.00 52.04 H new ATOM 0 HD11 ILE A 70 -0.511 -23.826 -8.451 1.00 64.11 H new ATOM 0 HD12 ILE A 70 1.095 -23.504 -9.146 1.00 64.11 H new ATOM 0 HD13 ILE A 70 -0.119 -22.205 -9.070 1.00 64.11 H new ATOM 1145 N GLU A 71 2.517 -20.548 -11.715 1.00 72.11 N ATOM 1146 CA GLU A 71 3.861 -20.063 -11.290 1.00 31.03 C ATOM 1147 C GLU A 71 3.741 -18.693 -10.616 1.00 13.12 C ATOM 1148 O GLU A 71 4.288 -18.463 -9.556 1.00 4.14 O ATOM 1149 CB GLU A 71 4.667 -19.954 -12.584 1.00 41.10 C ATOM 1150 CG GLU A 71 5.080 -21.354 -13.045 1.00 32.40 C ATOM 1151 CD GLU A 71 6.545 -21.596 -12.685 1.00 22.14 C ATOM 1152 OE1 GLU A 71 6.830 -21.739 -11.507 1.00 1.13 O ATOM 1153 OE2 GLU A 71 7.358 -21.636 -13.594 1.00 34.41 O ATOM 0 H GLU A 71 2.359 -20.564 -12.723 1.00 72.11 H new ATOM 0 HA GLU A 71 4.333 -20.731 -10.569 1.00 31.03 H new ATOM 0 HB2 GLU A 71 4.072 -19.466 -13.356 1.00 41.10 H new ATOM 0 HB3 GLU A 71 5.551 -19.336 -12.424 1.00 41.10 H new ATOM 0 HG2 GLU A 71 4.449 -22.106 -12.571 1.00 32.40 H new ATOM 0 HG3 GLU A 71 4.938 -21.451 -14.121 1.00 32.40 H new ATOM 1160 N LYS A 72 3.029 -17.783 -11.223 1.00 13.42 N ATOM 1161 CA LYS A 72 2.874 -16.430 -10.616 1.00 30.11 C ATOM 1162 C LYS A 72 2.150 -16.532 -9.274 1.00 63.04 C ATOM 1163 O LYS A 72 2.091 -15.587 -8.515 1.00 64.23 O ATOM 1164 CB LYS A 72 2.035 -15.638 -11.620 1.00 53.13 C ATOM 1165 CG LYS A 72 2.959 -14.974 -12.642 1.00 2.15 C ATOM 1166 CD LYS A 72 3.361 -13.585 -12.142 1.00 40.24 C ATOM 1167 CE LYS A 72 2.536 -12.522 -12.868 1.00 72.25 C ATOM 1168 NZ LYS A 72 2.784 -11.262 -12.116 1.00 51.42 N ATOM 0 H LYS A 72 2.548 -17.918 -12.112 1.00 13.42 H new ATOM 0 HA LYS A 72 3.835 -15.953 -10.422 1.00 30.11 H new ATOM 0 HB2 LYS A 72 1.332 -16.300 -12.125 1.00 53.13 H new ATOM 0 HB3 LYS A 72 1.445 -14.882 -11.102 1.00 53.13 H new ATOM 0 HG2 LYS A 72 3.847 -15.587 -12.797 1.00 2.15 H new ATOM 0 HG3 LYS A 72 2.455 -14.893 -13.605 1.00 2.15 H new ATOM 0 HD2 LYS A 72 3.200 -13.514 -11.066 1.00 40.24 H new ATOM 0 HD3 LYS A 72 4.424 -13.418 -12.317 1.00 40.24 H new ATOM 0 HE2 LYS A 72 2.843 -12.427 -13.909 1.00 72.25 H new ATOM 0 HE3 LYS A 72 1.477 -12.778 -12.870 1.00 72.25 H new ATOM 0 HZ1 LYS A 72 2.250 -10.485 -12.555 1.00 51.42 H new ATOM 0 HZ2 LYS A 72 2.475 -11.380 -11.130 1.00 51.42 H new ATOM 0 HZ3 LYS A 72 3.800 -11.040 -12.137 1.00 51.42 H new ATOM 1182 N VAL A 73 1.597 -17.677 -8.972 1.00 22.10 N ATOM 1183 CA VAL A 73 0.878 -17.841 -7.677 1.00 10.24 C ATOM 1184 C VAL A 73 1.839 -18.364 -6.605 1.00 31.42 C ATOM 1185 O VAL A 73 1.614 -18.200 -5.422 1.00 21.35 O ATOM 1186 CB VAL A 73 -0.220 -18.867 -7.962 1.00 74.10 C ATOM 1187 CG1 VAL A 73 -0.919 -19.242 -6.654 1.00 23.11 C ATOM 1188 CG2 VAL A 73 -1.240 -18.269 -8.932 1.00 23.33 C ATOM 0 H VAL A 73 1.613 -18.505 -9.567 1.00 22.10 H new ATOM 0 HA VAL A 73 0.469 -16.901 -7.307 1.00 10.24 H new ATOM 0 HB VAL A 73 0.223 -19.758 -8.406 1.00 74.10 H new ATOM 0 HG11 VAL A 73 -1.702 -19.973 -6.856 1.00 23.11 H new ATOM 0 HG12 VAL A 73 -0.193 -19.670 -5.963 1.00 23.11 H new ATOM 0 HG13 VAL A 73 -1.361 -18.351 -6.209 1.00 23.11 H new ATOM 0 HG21 VAL A 73 -2.022 -19.001 -9.135 1.00 23.33 H new ATOM 0 HG22 VAL A 73 -1.684 -17.377 -8.489 1.00 23.33 H new ATOM 0 HG23 VAL A 73 -0.742 -18.002 -9.864 1.00 23.33 H new ATOM 1198 N LYS A 74 2.908 -18.998 -7.011 1.00 63.13 N ATOM 1199 CA LYS A 74 3.879 -19.535 -6.016 1.00 14.22 C ATOM 1200 C LYS A 74 4.360 -18.422 -5.080 1.00 63.53 C ATOM 1201 O LYS A 74 4.317 -18.553 -3.874 1.00 61.11 O ATOM 1202 CB LYS A 74 5.046 -20.070 -6.848 1.00 30.34 C ATOM 1203 CG LYS A 74 4.563 -21.212 -7.745 1.00 32.43 C ATOM 1204 CD LYS A 74 4.443 -22.493 -6.920 1.00 50.11 C ATOM 1205 CE LYS A 74 2.989 -22.679 -6.476 1.00 41.51 C ATOM 1206 NZ LYS A 74 2.833 -24.144 -6.243 1.00 64.23 N ATOM 0 H LYS A 74 3.149 -19.166 -7.988 1.00 63.13 H new ATOM 0 HA LYS A 74 3.434 -20.306 -5.388 1.00 14.22 H new ATOM 0 HB2 LYS A 74 5.467 -19.270 -7.457 1.00 30.34 H new ATOM 0 HB3 LYS A 74 5.841 -20.423 -6.191 1.00 30.34 H new ATOM 0 HG2 LYS A 74 3.599 -20.959 -8.186 1.00 32.43 H new ATOM 0 HG3 LYS A 74 5.261 -21.362 -8.569 1.00 32.43 H new ATOM 0 HD2 LYS A 74 4.767 -23.350 -7.510 1.00 50.11 H new ATOM 0 HD3 LYS A 74 5.097 -22.440 -6.049 1.00 50.11 H new ATOM 0 HE2 LYS A 74 2.779 -22.112 -5.569 1.00 41.51 H new ATOM 0 HE3 LYS A 74 2.296 -22.326 -7.240 1.00 41.51 H new ATOM 0 HZ1 LYS A 74 1.860 -24.345 -5.936 1.00 64.23 H new ATOM 0 HZ2 LYS A 74 3.031 -24.659 -7.125 1.00 64.23 H new ATOM 0 HZ3 LYS A 74 3.499 -24.451 -5.506 1.00 64.23 H new ATOM 1220 N GLN A 75 4.828 -17.334 -5.626 1.00 52.14 N ATOM 1221 CA GLN A 75 5.324 -16.219 -4.764 1.00 62.10 C ATOM 1222 C GLN A 75 4.223 -15.733 -3.818 1.00 52.22 C ATOM 1223 O GLN A 75 4.479 -15.014 -2.872 1.00 12.11 O ATOM 1224 CB GLN A 75 5.758 -15.095 -5.721 1.00 71.02 C ATOM 1225 CG GLN A 75 4.692 -14.835 -6.796 1.00 31.33 C ATOM 1226 CD GLN A 75 3.354 -14.489 -6.143 1.00 71.23 C ATOM 1227 OE1 GLN A 75 2.408 -15.245 -6.234 1.00 71.00 O ATOM 1228 NE2 GLN A 75 3.232 -13.369 -5.490 1.00 60.34 N ATOM 0 H GLN A 75 4.889 -17.167 -6.630 1.00 52.14 H new ATOM 0 HA GLN A 75 6.154 -16.545 -4.137 1.00 62.10 H new ATOM 0 HB2 GLN A 75 5.937 -14.181 -5.155 1.00 71.02 H new ATOM 0 HB3 GLN A 75 6.700 -15.364 -6.198 1.00 71.02 H new ATOM 0 HG2 GLN A 75 5.010 -14.018 -7.444 1.00 31.33 H new ATOM 0 HG3 GLN A 75 4.579 -15.717 -7.427 1.00 31.33 H new ATOM 0 HE21 GLN A 75 4.027 -12.734 -5.414 1.00 60.34 H new ATOM 0 HE22 GLN A 75 2.342 -13.127 -5.055 1.00 60.34 H new ATOM 1237 N ALA A 76 3.001 -16.114 -4.060 1.00 42.21 N ATOM 1238 CA ALA A 76 1.894 -15.664 -3.168 1.00 13.21 C ATOM 1239 C ALA A 76 1.611 -16.721 -2.099 1.00 4.14 C ATOM 1240 O ALA A 76 1.441 -16.412 -0.937 1.00 41.41 O ATOM 1241 CB ALA A 76 0.684 -15.493 -4.083 1.00 34.04 C ATOM 0 H ALA A 76 2.720 -16.716 -4.834 1.00 42.21 H new ATOM 0 HA ALA A 76 2.141 -14.740 -2.645 1.00 13.21 H new ATOM 0 HB1 ALA A 76 -0.173 -15.162 -3.496 1.00 34.04 H new ATOM 0 HB2 ALA A 76 0.908 -14.749 -4.848 1.00 34.04 H new ATOM 0 HB3 ALA A 76 0.451 -16.445 -4.560 1.00 34.04 H new ATOM 1247 N LEU A 77 1.562 -17.968 -2.479 1.00 5.23 N ATOM 1248 CA LEU A 77 1.290 -19.035 -1.477 1.00 45.21 C ATOM 1249 C LEU A 77 2.556 -19.325 -0.671 1.00 11.14 C ATOM 1250 O LEU A 77 2.500 -19.746 0.469 1.00 62.34 O ATOM 1251 CB LEU A 77 0.874 -20.260 -2.290 1.00 73.12 C ATOM 1252 CG LEU A 77 -0.248 -19.877 -3.256 1.00 60.10 C ATOM 1253 CD1 LEU A 77 -0.852 -21.143 -3.863 1.00 74.51 C ATOM 1254 CD2 LEU A 77 -1.332 -19.111 -2.494 1.00 54.04 C ATOM 0 H LEU A 77 1.698 -18.293 -3.436 1.00 5.23 H new ATOM 0 HA LEU A 77 0.515 -18.747 -0.766 1.00 45.21 H new ATOM 0 HB2 LEU A 77 1.728 -20.648 -2.844 1.00 73.12 H new ATOM 0 HB3 LEU A 77 0.539 -21.055 -1.624 1.00 73.12 H new ATOM 0 HG LEU A 77 0.154 -19.249 -4.051 1.00 60.10 H new ATOM 0 HD11 LEU A 77 -1.652 -20.871 -4.552 1.00 74.51 H new ATOM 0 HD12 LEU A 77 -0.080 -21.692 -4.402 1.00 74.51 H new ATOM 0 HD13 LEU A 77 -1.255 -21.771 -3.068 1.00 74.51 H new ATOM 0 HD21 LEU A 77 -2.134 -18.836 -3.180 1.00 54.04 H new ATOM 0 HD22 LEU A 77 -1.733 -19.741 -1.700 1.00 54.04 H new ATOM 0 HD23 LEU A 77 -0.902 -18.209 -2.058 1.00 54.04 H new ATOM 1266 N THR A 78 3.702 -19.094 -1.249 1.00 3.03 N ATOM 1267 CA THR A 78 4.971 -19.347 -0.511 1.00 13.43 C ATOM 1268 C THR A 78 5.229 -18.210 0.479 1.00 32.24 C ATOM 1269 O THR A 78 5.844 -18.397 1.511 1.00 73.32 O ATOM 1270 CB THR A 78 6.058 -19.382 -1.592 1.00 40.42 C ATOM 1271 OG1 THR A 78 7.235 -19.974 -1.059 1.00 62.11 O ATOM 1272 CG2 THR A 78 6.368 -17.959 -2.064 1.00 54.13 C ATOM 0 H THR A 78 3.815 -18.741 -2.199 1.00 3.03 H new ATOM 0 HA THR A 78 4.944 -20.273 0.064 1.00 13.43 H new ATOM 0 HB THR A 78 5.705 -19.970 -2.439 1.00 40.42 H new ATOM 0 HG1 THR A 78 7.930 -19.998 -1.749 1.00 62.11 H new ATOM 0 HG21 THR A 78 7.141 -17.991 -2.832 1.00 54.13 H new ATOM 0 HG22 THR A 78 5.465 -17.508 -2.476 1.00 54.13 H new ATOM 0 HG23 THR A 78 6.719 -17.364 -1.221 1.00 54.13 H new ATOM 1280 N GLU A 79 4.760 -17.031 0.172 1.00 32.25 N ATOM 1281 CA GLU A 79 4.970 -15.875 1.088 1.00 65.53 C ATOM 1282 C GLU A 79 3.752 -15.695 1.997 1.00 50.03 C ATOM 1283 O GLU A 79 3.864 -15.649 3.206 1.00 53.31 O ATOM 1284 CB GLU A 79 5.131 -14.667 0.167 1.00 63.22 C ATOM 1285 CG GLU A 79 6.433 -14.797 -0.626 1.00 42.50 C ATOM 1286 CD GLU A 79 7.253 -13.515 -0.474 1.00 43.25 C ATOM 1287 OE1 GLU A 79 6.885 -12.523 -1.081 1.00 52.40 O ATOM 1288 OE2 GLU A 79 8.236 -13.548 0.247 1.00 61.14 O ATOM 0 H GLU A 79 4.238 -16.819 -0.678 1.00 32.25 H new ATOM 0 HA GLU A 79 5.835 -16.013 1.737 1.00 65.53 H new ATOM 0 HB2 GLU A 79 4.283 -14.601 -0.515 1.00 63.22 H new ATOM 0 HB3 GLU A 79 5.141 -13.748 0.754 1.00 63.22 H new ATOM 0 HG2 GLU A 79 7.006 -15.652 -0.267 1.00 42.50 H new ATOM 0 HG3 GLU A 79 6.214 -14.979 -1.678 1.00 42.50 H new ATOM 1295 N GLN A 80 2.585 -15.593 1.419 1.00 43.43 N ATOM 1296 CA GLN A 80 1.354 -15.417 2.244 1.00 23.14 C ATOM 1297 C GLN A 80 0.629 -16.753 2.377 1.00 51.21 C ATOM 1298 O GLN A 80 0.417 -17.257 3.461 1.00 14.31 O ATOM 1299 CB GLN A 80 0.473 -14.432 1.468 1.00 14.04 C ATOM 1300 CG GLN A 80 1.329 -13.333 0.830 1.00 23.04 C ATOM 1301 CD GLN A 80 0.496 -12.581 -0.209 1.00 44.02 C ATOM 1302 OE1 GLN A 80 -0.251 -13.256 -1.044 1.00 64.51 O flip ATOM 1303 NE2 GLN A 80 0.520 -11.368 -0.263 1.00 73.03 N flip ATOM 0 H GLN A 80 2.431 -15.624 0.411 1.00 43.43 H new ATOM 0 HA GLN A 80 1.586 -15.055 3.246 1.00 23.14 H new ATOM 0 HB2 GLN A 80 -0.082 -14.963 0.695 1.00 14.04 H new ATOM 0 HB3 GLN A 80 -0.261 -13.986 2.139 1.00 14.04 H new ATOM 0 HG2 GLN A 80 1.685 -12.643 1.595 1.00 23.04 H new ATOM 0 HG3 GLN A 80 2.210 -13.770 0.360 1.00 23.04 H new ATOM 0 HE21 GLN A 80 1.102 -10.840 0.387 1.00 73.03 H new ATOM 0 HE22 GLN A 80 -0.042 -10.877 -0.959 1.00 73.03 H new ATOM 1312 N GLY A 81 0.243 -17.327 1.272 1.00 12.24 N ATOM 1313 CA GLY A 81 -0.474 -18.629 1.314 1.00 74.52 C ATOM 1314 C GLY A 81 -1.749 -18.533 0.472 1.00 53.13 C ATOM 1315 O GLY A 81 -2.505 -19.480 0.369 1.00 62.13 O ATOM 0 H GLY A 81 0.395 -16.947 0.338 1.00 12.24 H new ATOM 0 HA2 GLY A 81 0.168 -19.423 0.933 1.00 74.52 H new ATOM 0 HA3 GLY A 81 -0.723 -18.887 2.343 1.00 74.52 H new ATOM 1319 N TYR A 82 -1.993 -17.401 -0.133 1.00 74.51 N ATOM 1320 CA TYR A 82 -3.223 -17.257 -0.967 1.00 63.34 C ATOM 1321 C TYR A 82 -2.943 -16.356 -2.171 1.00 73.25 C ATOM 1322 O TYR A 82 -2.152 -15.433 -2.100 1.00 41.53 O ATOM 1323 CB TYR A 82 -4.283 -16.606 -0.062 1.00 3.04 C ATOM 1324 CG TYR A 82 -4.087 -17.022 1.379 1.00 65.42 C ATOM 1325 CD1 TYR A 82 -3.045 -16.468 2.129 1.00 0.23 C ATOM 1326 CD2 TYR A 82 -4.947 -17.958 1.963 1.00 75.04 C ATOM 1327 CE1 TYR A 82 -2.860 -16.851 3.463 1.00 13.03 C ATOM 1328 CE2 TYR A 82 -4.762 -18.344 3.296 1.00 21.22 C ATOM 1329 CZ TYR A 82 -3.719 -17.791 4.048 1.00 63.15 C ATOM 1330 OH TYR A 82 -3.536 -18.167 5.360 1.00 63.42 O ATOM 0 H TYR A 82 -1.398 -16.574 -0.087 1.00 74.51 H new ATOM 0 HA TYR A 82 -3.558 -18.222 -1.346 1.00 63.34 H new ATOM 0 HB2 TYR A 82 -4.221 -15.521 -0.144 1.00 3.04 H new ATOM 0 HB3 TYR A 82 -5.280 -16.894 -0.396 1.00 3.04 H new ATOM 0 HD1 TYR A 82 -2.382 -15.744 1.679 1.00 0.23 H new ATOM 0 HD2 TYR A 82 -5.754 -18.383 1.385 1.00 75.04 H new ATOM 0 HE1 TYR A 82 -2.055 -16.422 4.041 1.00 13.03 H new ATOM 0 HE2 TYR A 82 -5.425 -19.069 3.745 1.00 21.22 H new ATOM 0 HH TYR A 82 -4.218 -18.825 5.610 1.00 63.42 H new ATOM 1340 N TYR A 83 -3.595 -16.609 -3.269 1.00 32.03 N ATOM 1341 CA TYR A 83 -3.387 -15.767 -4.481 1.00 32.24 C ATOM 1342 C TYR A 83 -4.703 -15.647 -5.257 1.00 72.42 C ATOM 1343 O TYR A 83 -5.313 -16.634 -5.614 1.00 72.01 O ATOM 1344 CB TYR A 83 -2.336 -16.502 -5.314 1.00 11.25 C ATOM 1345 CG TYR A 83 -2.174 -15.805 -6.642 1.00 22.40 C ATOM 1346 CD1 TYR A 83 -3.109 -16.017 -7.664 1.00 72.34 C ATOM 1347 CD2 TYR A 83 -1.091 -14.945 -6.850 1.00 51.12 C ATOM 1348 CE1 TYR A 83 -2.958 -15.369 -8.895 1.00 13.41 C ATOM 1349 CE2 TYR A 83 -0.941 -14.296 -8.081 1.00 15.42 C ATOM 1350 CZ TYR A 83 -1.874 -14.506 -9.103 1.00 2.51 C ATOM 1351 OH TYR A 83 -1.725 -13.867 -10.317 1.00 1.05 O ATOM 0 H TYR A 83 -4.268 -17.367 -3.381 1.00 32.03 H new ATOM 0 HA TYR A 83 -3.062 -14.757 -4.233 1.00 32.24 H new ATOM 0 HB2 TYR A 83 -1.384 -16.523 -4.783 1.00 11.25 H new ATOM 0 HB3 TYR A 83 -2.638 -17.538 -5.469 1.00 11.25 H new ATOM 0 HD1 TYR A 83 -3.946 -16.680 -7.502 1.00 72.34 H new ATOM 0 HD2 TYR A 83 -0.371 -14.782 -6.062 1.00 51.12 H new ATOM 0 HE1 TYR A 83 -3.677 -15.534 -9.684 1.00 13.41 H new ATOM 0 HE2 TYR A 83 -0.104 -13.632 -8.242 1.00 15.42 H new ATOM 0 HH TYR A 83 -0.923 -13.304 -10.294 1.00 1.05 H new ATOM 1361 N LEU A 84 -5.151 -14.447 -5.506 1.00 14.41 N ATOM 1362 CA LEU A 84 -6.434 -14.275 -6.245 1.00 62.41 C ATOM 1363 C LEU A 84 -6.176 -13.839 -7.690 1.00 43.14 C ATOM 1364 O LEU A 84 -5.407 -12.938 -7.951 1.00 31.31 O ATOM 1365 CB LEU A 84 -7.181 -13.182 -5.480 1.00 13.14 C ATOM 1366 CG LEU A 84 -8.450 -12.803 -6.240 1.00 51.21 C ATOM 1367 CD1 LEU A 84 -9.335 -14.040 -6.404 1.00 72.14 C ATOM 1368 CD2 LEU A 84 -9.211 -11.733 -5.453 1.00 61.41 C ATOM 0 H LEU A 84 -4.687 -13.581 -5.231 1.00 14.41 H new ATOM 0 HA LEU A 84 -7.002 -15.204 -6.300 1.00 62.41 H new ATOM 0 HB2 LEU A 84 -7.435 -13.532 -4.480 1.00 13.14 H new ATOM 0 HB3 LEU A 84 -6.542 -12.307 -5.359 1.00 13.14 H new ATOM 0 HG LEU A 84 -8.184 -12.414 -7.223 1.00 51.21 H new ATOM 0 HD11 LEU A 84 -10.241 -13.770 -6.946 1.00 72.14 H new ATOM 0 HD12 LEU A 84 -8.793 -14.804 -6.961 1.00 72.14 H new ATOM 0 HD13 LEU A 84 -9.603 -14.429 -5.421 1.00 72.14 H new ATOM 0 HD21 LEU A 84 -10.118 -11.460 -5.993 1.00 61.41 H new ATOM 0 HD22 LEU A 84 -9.477 -12.124 -4.471 1.00 61.41 H new ATOM 0 HD23 LEU A 84 -8.581 -10.852 -5.334 1.00 61.41 H new ATOM 1380 N GLN A 85 -6.824 -14.477 -8.626 1.00 31.34 N ATOM 1381 CA GLN A 85 -6.626 -14.105 -10.055 1.00 21.14 C ATOM 1382 C GLN A 85 -7.881 -13.405 -10.593 1.00 52.15 C ATOM 1383 O GLN A 85 -8.981 -13.903 -10.467 1.00 23.31 O ATOM 1384 CB GLN A 85 -6.386 -15.435 -10.779 1.00 72.14 C ATOM 1385 CG GLN A 85 -7.717 -16.166 -10.976 1.00 11.32 C ATOM 1386 CD GLN A 85 -8.421 -15.674 -12.250 1.00 75.23 C ATOM 1387 OE1 GLN A 85 -7.918 -14.681 -12.939 1.00 31.10 O flip ATOM 1388 NE2 GLN A 85 -9.449 -16.202 -12.623 1.00 21.05 N flip ATOM 0 H GLN A 85 -7.482 -15.239 -8.463 1.00 31.34 H new ATOM 0 HA GLN A 85 -5.795 -13.414 -10.198 1.00 21.14 H new ATOM 0 HB2 GLN A 85 -5.914 -15.254 -11.745 1.00 72.14 H new ATOM 0 HB3 GLN A 85 -5.702 -16.056 -10.201 1.00 72.14 H new ATOM 0 HG2 GLN A 85 -7.542 -17.240 -11.042 1.00 11.32 H new ATOM 0 HG3 GLN A 85 -8.360 -16.001 -10.112 1.00 11.32 H new ATOM 0 HE21 GLN A 85 -9.847 -16.976 -12.091 1.00 21.05 H new ATOM 0 HE22 GLN A 85 -9.915 -15.871 -13.468 1.00 21.05 H new ATOM 1397 N LEU A 86 -7.724 -12.253 -11.185 1.00 72.32 N ATOM 1398 CA LEU A 86 -8.909 -11.523 -11.725 1.00 31.01 C ATOM 1399 C LEU A 86 -8.747 -11.282 -13.230 1.00 40.10 C ATOM 1400 O LEU A 86 -7.890 -10.529 -13.649 1.00 62.04 O ATOM 1401 CB LEU A 86 -8.930 -10.196 -10.965 1.00 55.22 C ATOM 1402 CG LEU A 86 -10.007 -10.239 -9.879 1.00 60.23 C ATOM 1403 CD1 LEU A 86 -11.346 -10.649 -10.497 1.00 31.14 C ATOM 1404 CD2 LEU A 86 -9.607 -11.252 -8.808 1.00 4.12 C ATOM 0 H LEU A 86 -6.828 -11.785 -11.319 1.00 72.32 H new ATOM 0 HA LEU A 86 -9.835 -12.083 -11.596 1.00 31.01 H new ATOM 0 HB2 LEU A 86 -7.955 -10.008 -10.516 1.00 55.22 H new ATOM 0 HB3 LEU A 86 -9.127 -9.375 -11.654 1.00 55.22 H new ATOM 0 HG LEU A 86 -10.106 -9.252 -9.428 1.00 60.23 H new ATOM 0 HD11 LEU A 86 -12.111 -10.679 -9.721 1.00 31.14 H new ATOM 0 HD12 LEU A 86 -11.631 -9.925 -11.260 1.00 31.14 H new ATOM 0 HD13 LEU A 86 -11.251 -11.636 -10.950 1.00 31.14 H new ATOM 0 HD21 LEU A 86 -10.373 -11.284 -8.033 1.00 4.12 H new ATOM 0 HD22 LEU A 86 -9.506 -12.239 -9.260 1.00 4.12 H new ATOM 0 HD23 LEU A 86 -8.656 -10.957 -8.365 1.00 4.12 H new ATOM 1416 N PRO A 87 -9.580 -11.938 -13.993 1.00 24.13 N ATOM 1417 CA PRO A 87 -9.535 -11.804 -15.470 1.00 25.23 C ATOM 1418 C PRO A 87 -10.122 -10.470 -15.985 1.00 61.15 C ATOM 1419 O PRO A 87 -9.727 -10.016 -17.042 1.00 20.52 O ATOM 1420 CB PRO A 87 -10.368 -12.986 -15.961 1.00 20.14 C ATOM 1421 CG PRO A 87 -11.292 -13.320 -14.833 1.00 0.31 C ATOM 1422 CD PRO A 87 -10.630 -12.868 -13.554 1.00 71.24 C ATOM 0 HA PRO A 87 -8.508 -11.803 -15.836 1.00 25.23 H new ATOM 0 HB2 PRO A 87 -10.925 -12.726 -16.861 1.00 20.14 H new ATOM 0 HB3 PRO A 87 -9.733 -13.836 -16.213 1.00 20.14 H new ATOM 0 HG2 PRO A 87 -12.253 -12.822 -14.964 1.00 0.31 H new ATOM 0 HG3 PRO A 87 -11.490 -14.391 -14.804 1.00 0.31 H new ATOM 0 HD2 PRO A 87 -11.342 -12.378 -12.890 1.00 71.24 H new ATOM 0 HD3 PRO A 87 -10.210 -13.711 -13.005 1.00 71.24 H new ATOM 1430 N PRO A 88 -11.049 -9.868 -15.262 1.00 50.04 N ATOM 1431 CA PRO A 88 -11.644 -8.595 -15.745 1.00 40.42 C ATOM 1432 C PRO A 88 -10.660 -7.430 -15.583 1.00 13.41 C ATOM 1433 O PRO A 88 -10.042 -7.275 -14.548 1.00 15.32 O ATOM 1434 CB PRO A 88 -12.861 -8.399 -14.848 1.00 51.20 C ATOM 1435 CG PRO A 88 -12.553 -9.157 -13.599 1.00 12.15 C ATOM 1436 CD PRO A 88 -11.626 -10.284 -13.975 1.00 64.11 C ATOM 0 HA PRO A 88 -11.897 -8.628 -16.805 1.00 40.42 H new ATOM 0 HB2 PRO A 88 -13.028 -7.343 -14.637 1.00 51.20 H new ATOM 0 HB3 PRO A 88 -13.766 -8.776 -15.324 1.00 51.20 H new ATOM 0 HG2 PRO A 88 -12.086 -8.506 -12.860 1.00 12.15 H new ATOM 0 HG3 PRO A 88 -13.467 -9.545 -13.150 1.00 12.15 H new ATOM 0 HD2 PRO A 88 -10.852 -10.431 -13.221 1.00 64.11 H new ATOM 0 HD3 PRO A 88 -12.164 -11.227 -14.067 1.00 64.11 H new ATOM 1444 N PRO A 89 -10.554 -6.647 -16.624 1.00 63.41 N ATOM 1445 CA PRO A 89 -9.646 -5.476 -16.610 1.00 11.23 C ATOM 1446 C PRO A 89 -10.295 -4.311 -15.857 1.00 61.23 C ATOM 1447 O PRO A 89 -11.441 -4.391 -15.459 1.00 12.14 O ATOM 1448 CB PRO A 89 -9.486 -5.135 -18.088 1.00 53.04 C ATOM 1449 CG PRO A 89 -10.719 -5.661 -18.754 1.00 42.42 C ATOM 1450 CD PRO A 89 -11.264 -6.780 -17.900 1.00 75.33 C ATOM 0 HA PRO A 89 -8.696 -5.674 -16.114 1.00 11.23 H new ATOM 0 HB2 PRO A 89 -9.389 -4.059 -18.235 1.00 53.04 H new ATOM 0 HB3 PRO A 89 -8.589 -5.595 -18.502 1.00 53.04 H new ATOM 0 HG2 PRO A 89 -11.460 -4.870 -18.865 1.00 42.42 H new ATOM 0 HG3 PRO A 89 -10.487 -6.023 -19.756 1.00 42.42 H new ATOM 0 HD2 PRO A 89 -12.342 -6.688 -17.766 1.00 75.33 H new ATOM 0 HD3 PRO A 89 -11.081 -7.753 -18.356 1.00 75.33 H new ATOM 1458 N PRO A 90 -9.539 -3.261 -15.693 1.00 62.52 N ATOM 1459 CA PRO A 90 -10.049 -2.060 -14.987 1.00 22.25 C ATOM 1460 C PRO A 90 -11.037 -1.304 -15.878 1.00 41.23 C ATOM 1461 O PRO A 90 -11.944 -0.649 -15.404 1.00 71.21 O ATOM 1462 CB PRO A 90 -8.793 -1.229 -14.740 1.00 50.13 C ATOM 1463 CG PRO A 90 -7.828 -1.660 -15.797 1.00 3.20 C ATOM 1464 CD PRO A 90 -8.153 -3.091 -16.142 1.00 24.24 C ATOM 0 HA PRO A 90 -10.584 -2.295 -14.067 1.00 22.25 H new ATOM 0 HB2 PRO A 90 -9.006 -0.162 -14.811 1.00 50.13 H new ATOM 0 HB3 PRO A 90 -8.391 -1.408 -13.743 1.00 50.13 H new ATOM 0 HG2 PRO A 90 -7.913 -1.023 -16.678 1.00 3.20 H new ATOM 0 HG3 PRO A 90 -6.802 -1.574 -15.439 1.00 3.20 H new ATOM 0 HD2 PRO A 90 -8.055 -3.275 -17.212 1.00 24.24 H new ATOM 0 HD3 PRO A 90 -7.482 -3.785 -15.636 1.00 24.24 H new ATOM 1472 N GLU A 91 -10.867 -1.390 -17.171 1.00 4.10 N ATOM 1473 CA GLU A 91 -11.793 -0.681 -18.099 1.00 65.43 C ATOM 1474 C GLU A 91 -11.708 -1.289 -19.500 1.00 25.10 C ATOM 1475 O GLU A 91 -12.550 -2.066 -19.907 1.00 11.14 O ATOM 1476 CB GLU A 91 -11.299 0.768 -18.119 1.00 62.24 C ATOM 1477 CG GLU A 91 -12.393 1.692 -17.581 1.00 64.10 C ATOM 1478 CD GLU A 91 -11.802 3.077 -17.309 1.00 5.31 C ATOM 1479 OE1 GLU A 91 -10.680 3.310 -17.722 1.00 34.13 O ATOM 1480 OE2 GLU A 91 -12.481 3.880 -16.692 1.00 64.22 O ATOM 0 H GLU A 91 -10.124 -1.922 -17.624 1.00 4.10 H new ATOM 0 HA GLU A 91 -12.833 -0.757 -17.780 1.00 65.43 H new ATOM 0 HB2 GLU A 91 -10.398 0.864 -17.513 1.00 62.24 H new ATOM 0 HB3 GLU A 91 -11.032 1.058 -19.135 1.00 62.24 H new ATOM 0 HG2 GLU A 91 -13.207 1.767 -18.302 1.00 64.10 H new ATOM 0 HG3 GLU A 91 -12.815 1.279 -16.665 1.00 64.10 H new ATOM 1487 N ASP A 92 -10.695 -0.938 -20.241 1.00 62.15 N ATOM 1488 CA ASP A 92 -10.544 -1.485 -21.618 1.00 71.34 C ATOM 1489 C ASP A 92 -9.255 -0.956 -22.246 1.00 13.11 C ATOM 1490 O ASP A 92 -8.472 -1.695 -22.810 1.00 12.11 O ATOM 1491 CB ASP A 92 -11.764 -0.975 -22.384 1.00 24.12 C ATOM 1492 CG ASP A 92 -11.863 -1.696 -23.729 1.00 0.32 C ATOM 1493 OD1 ASP A 92 -11.397 -2.821 -23.811 1.00 12.33 O ATOM 1494 OD2 ASP A 92 -12.403 -1.113 -24.653 1.00 63.12 O ATOM 0 H ASP A 92 -9.961 -0.292 -19.950 1.00 62.15 H new ATOM 0 HA ASP A 92 -10.485 -2.573 -21.631 1.00 71.34 H new ATOM 0 HB2 ASP A 92 -12.669 -1.145 -21.801 1.00 24.12 H new ATOM 0 HB3 ASP A 92 -11.684 0.101 -22.541 1.00 24.12 H new ATOM 1499 N LEU A 93 -9.034 0.323 -22.150 1.00 53.03 N ATOM 1500 CA LEU A 93 -7.799 0.919 -22.732 1.00 51.02 C ATOM 1501 C LEU A 93 -6.558 0.384 -22.010 1.00 72.24 C ATOM 1502 O LEU A 93 -6.646 -0.175 -20.934 1.00 42.34 O ATOM 1503 CB LEU A 93 -7.942 2.424 -22.499 1.00 20.51 C ATOM 1504 CG LEU A 93 -8.189 2.687 -21.013 1.00 64.44 C ATOM 1505 CD1 LEU A 93 -6.889 3.139 -20.351 1.00 43.52 C ATOM 1506 CD2 LEU A 93 -9.248 3.779 -20.855 1.00 0.23 C ATOM 0 H LEU A 93 -9.658 0.986 -21.691 1.00 53.03 H new ATOM 0 HA LEU A 93 -7.682 0.675 -23.788 1.00 51.02 H new ATOM 0 HB2 LEU A 93 -7.040 2.941 -22.826 1.00 20.51 H new ATOM 0 HB3 LEU A 93 -8.768 2.818 -23.091 1.00 20.51 H new ATOM 0 HG LEU A 93 -8.539 1.771 -20.537 1.00 64.44 H new ATOM 0 HD11 LEU A 93 -7.066 3.326 -19.292 1.00 43.52 H new ATOM 0 HD12 LEU A 93 -6.135 2.360 -20.461 1.00 43.52 H new ATOM 0 HD13 LEU A 93 -6.537 4.054 -20.827 1.00 43.52 H new ATOM 0 HD21 LEU A 93 -9.423 3.965 -19.795 1.00 0.23 H new ATOM 0 HD22 LEU A 93 -8.900 4.695 -21.332 1.00 0.23 H new ATOM 0 HD23 LEU A 93 -10.177 3.456 -21.325 1.00 0.23 H new ATOM 1518 N LEU A 94 -5.402 0.554 -22.594 1.00 63.32 N ATOM 1519 CA LEU A 94 -4.155 0.062 -21.945 1.00 41.35 C ATOM 1520 C LEU A 94 -4.150 0.432 -20.459 1.00 63.41 C ATOM 1521 O LEU A 94 -4.206 1.591 -20.099 1.00 10.21 O ATOM 1522 CB LEU A 94 -3.032 0.784 -22.686 1.00 74.12 C ATOM 1523 CG LEU A 94 -1.742 -0.030 -22.586 1.00 42.25 C ATOM 1524 CD1 LEU A 94 -1.245 -0.373 -23.992 1.00 40.03 C ATOM 1525 CD2 LEU A 94 -0.677 0.793 -21.857 1.00 15.03 C ATOM 0 H LEU A 94 -5.269 1.014 -23.495 1.00 63.32 H new ATOM 0 HA LEU A 94 -4.053 -1.022 -21.996 1.00 41.35 H new ATOM 0 HB2 LEU A 94 -3.305 0.924 -23.732 1.00 74.12 H new ATOM 0 HB3 LEU A 94 -2.881 1.776 -22.260 1.00 74.12 H new ATOM 0 HG LEU A 94 -1.934 -0.950 -22.034 1.00 42.25 H new ATOM 0 HD11 LEU A 94 -0.325 -0.953 -23.921 1.00 40.03 H new ATOM 0 HD12 LEU A 94 -2.003 -0.957 -24.514 1.00 40.03 H new ATOM 0 HD13 LEU A 94 -1.052 0.547 -24.544 1.00 40.03 H new ATOM 0 HD21 LEU A 94 0.244 0.214 -21.785 1.00 15.03 H new ATOM 0 HD22 LEU A 94 -0.485 1.712 -22.411 1.00 15.03 H new ATOM 0 HD23 LEU A 94 -1.030 1.040 -20.856 1.00 15.03 H new ATOM 1537 N LYS A 95 -4.068 -0.543 -19.598 1.00 33.21 N ATOM 1538 CA LYS A 95 -4.043 -0.241 -18.136 1.00 31.42 C ATOM 1539 C LYS A 95 -2.651 -0.544 -17.579 1.00 4.40 C ATOM 1540 O LYS A 95 -2.493 -1.278 -16.624 1.00 21.51 O ATOM 1541 CB LYS A 95 -5.102 -1.143 -17.485 1.00 0.15 C ATOM 1542 CG LYS A 95 -5.186 -2.498 -18.200 1.00 5.21 C ATOM 1543 CD LYS A 95 -3.827 -3.201 -18.144 1.00 21.43 C ATOM 1544 CE LYS A 95 -4.010 -4.692 -18.436 1.00 74.32 C ATOM 1545 NZ LYS A 95 -3.146 -5.387 -17.441 1.00 12.40 N ATOM 0 H LYS A 95 -4.017 -1.533 -19.840 1.00 33.21 H new ATOM 0 HA LYS A 95 -4.259 0.808 -17.933 1.00 31.42 H new ATOM 0 HB2 LYS A 95 -4.857 -1.297 -16.434 1.00 0.15 H new ATOM 0 HB3 LYS A 95 -6.074 -0.650 -17.517 1.00 0.15 H new ATOM 0 HG2 LYS A 95 -5.947 -3.121 -17.730 1.00 5.21 H new ATOM 0 HG3 LYS A 95 -5.488 -2.354 -19.237 1.00 5.21 H new ATOM 0 HD2 LYS A 95 -3.147 -2.758 -18.871 1.00 21.43 H new ATOM 0 HD3 LYS A 95 -3.376 -3.065 -17.161 1.00 21.43 H new ATOM 0 HE2 LYS A 95 -5.053 -4.990 -18.330 1.00 74.32 H new ATOM 0 HE3 LYS A 95 -3.711 -4.934 -19.456 1.00 74.32 H new ATOM 0 HZ1 LYS A 95 -3.218 -6.416 -17.577 1.00 12.40 H new ATOM 0 HZ2 LYS A 95 -2.158 -5.089 -17.570 1.00 12.40 H new ATOM 0 HZ3 LYS A 95 -3.458 -5.143 -16.480 1.00 12.40 H new ATOM 1559 N GLN A 96 -1.642 0.018 -18.181 1.00 14.14 N ATOM 1560 CA GLN A 96 -0.250 -0.228 -17.712 1.00 1.31 C ATOM 1561 C GLN A 96 0.368 1.075 -17.197 1.00 71.22 C ATOM 1562 O GLN A 96 1.351 1.559 -17.721 1.00 41.03 O ATOM 1563 CB GLN A 96 0.507 -0.727 -18.950 1.00 22.41 C ATOM 1564 CG GLN A 96 -0.406 -1.628 -19.792 1.00 63.11 C ATOM 1565 CD GLN A 96 0.444 -2.539 -20.676 1.00 21.25 C ATOM 1566 OE1 GLN A 96 1.547 -2.902 -20.314 1.00 72.11 O ATOM 1567 NE2 GLN A 96 -0.022 -2.927 -21.833 1.00 53.20 N ATOM 0 H GLN A 96 -1.722 0.642 -18.984 1.00 14.14 H new ATOM 0 HA GLN A 96 -0.211 -0.947 -16.894 1.00 1.31 H new ATOM 0 HB2 GLN A 96 0.846 0.120 -19.546 1.00 22.41 H new ATOM 0 HB3 GLN A 96 1.396 -1.279 -18.645 1.00 22.41 H new ATOM 0 HG2 GLN A 96 -1.042 -2.227 -19.141 1.00 63.11 H new ATOM 0 HG3 GLN A 96 -1.066 -1.018 -20.409 1.00 63.11 H new ATOM 0 HE21 GLN A 96 -0.947 -2.624 -22.138 1.00 53.20 H new ATOM 0 HE22 GLN A 96 0.539 -3.533 -22.431 1.00 53.20 H new ATOM 1576 N HIS A 97 -0.207 1.651 -16.179 1.00 20.05 N ATOM 1577 CA HIS A 97 0.339 2.925 -15.633 1.00 74.50 C ATOM 1578 C HIS A 97 1.622 2.661 -14.838 1.00 14.01 C ATOM 1579 O HIS A 97 1.832 1.586 -14.313 1.00 14.04 O ATOM 1580 CB HIS A 97 -0.758 3.465 -14.715 1.00 42.33 C ATOM 1581 CG HIS A 97 -0.737 4.969 -14.743 1.00 63.52 C ATOM 1582 ND1 HIS A 97 -1.044 5.691 -15.885 1.00 73.15 N ATOM 1583 CD2 HIS A 97 -0.453 5.900 -13.776 1.00 35.10 C ATOM 1584 CE1 HIS A 97 -0.936 6.997 -15.581 1.00 2.31 C ATOM 1585 NE2 HIS A 97 -0.577 7.180 -14.306 1.00 43.54 N ATOM 0 H HIS A 97 -1.034 1.294 -15.700 1.00 20.05 H new ATOM 0 HA HIS A 97 0.597 3.632 -16.422 1.00 74.50 H new ATOM 0 HB2 HIS A 97 -1.732 3.098 -15.039 1.00 42.33 H new ATOM 0 HB3 HIS A 97 -0.605 3.107 -13.697 1.00 42.33 H new ATOM 0 HD2 HIS A 97 -0.175 5.673 -12.757 1.00 35.10 H new ATOM 0 HE1 HIS A 97 -1.117 7.799 -16.281 1.00 2.31 H new ATOM 0 HE2 HIS A 97 -0.427 8.067 -13.826 1.00 43.54 H new ATOM 1593 N LEU A 98 2.481 3.641 -14.748 1.00 52.42 N ATOM 1594 CA LEU A 98 3.751 3.455 -13.987 1.00 20.34 C ATOM 1595 C LEU A 98 3.593 3.993 -12.564 1.00 4.42 C ATOM 1596 O LEU A 98 3.224 3.274 -11.655 1.00 2.04 O ATOM 1597 CB LEU A 98 4.791 4.272 -14.756 1.00 73.31 C ATOM 1598 CG LEU A 98 5.146 3.554 -16.058 1.00 30.14 C ATOM 1599 CD1 LEU A 98 5.294 4.582 -17.181 1.00 51.41 C ATOM 1600 CD2 LEU A 98 6.466 2.800 -15.880 1.00 12.31 C ATOM 0 H LEU A 98 2.358 4.562 -15.168 1.00 52.42 H new ATOM 0 HA LEU A 98 4.036 2.406 -13.902 1.00 20.34 H new ATOM 0 HB2 LEU A 98 4.400 5.266 -14.972 1.00 73.31 H new ATOM 0 HB3 LEU A 98 5.685 4.406 -14.147 1.00 73.31 H new ATOM 0 HG LEU A 98 4.355 2.848 -16.312 1.00 30.14 H new ATOM 0 HD11 LEU A 98 5.547 4.072 -18.110 1.00 51.41 H new ATOM 0 HD12 LEU A 98 4.355 5.121 -17.307 1.00 51.41 H new ATOM 0 HD13 LEU A 98 6.086 5.287 -16.927 1.00 51.41 H new ATOM 0 HD21 LEU A 98 6.720 2.288 -16.808 1.00 12.31 H new ATOM 0 HD22 LEU A 98 7.257 3.506 -15.627 1.00 12.31 H new ATOM 0 HD23 LEU A 98 6.362 2.069 -15.078 1.00 12.31 H new ATOM 1612 N SER A 99 3.866 5.253 -12.360 1.00 14.33 N ATOM 1613 CA SER A 99 3.730 5.837 -10.994 1.00 51.15 C ATOM 1614 C SER A 99 2.846 7.087 -11.040 1.00 34.13 C ATOM 1615 O SER A 99 1.994 7.222 -11.895 1.00 44.01 O ATOM 1616 CB SER A 99 5.154 6.197 -10.570 1.00 22.14 C ATOM 1617 OG SER A 99 5.179 6.442 -9.171 1.00 60.14 O ATOM 0 H SER A 99 4.178 5.904 -13.081 1.00 14.33 H new ATOM 0 HA SER A 99 3.263 5.145 -10.293 1.00 51.15 H new ATOM 0 HB2 SER A 99 5.837 5.385 -10.821 1.00 22.14 H new ATOM 0 HB3 SER A 99 5.495 7.079 -11.112 1.00 22.14 H new ATOM 0 HG SER A 99 6.091 6.671 -8.895 1.00 60.14 H new ATOM 1623 N VAL A 100 3.042 8.003 -10.130 1.00 43.32 N ATOM 1624 CA VAL A 100 2.208 9.243 -10.130 1.00 11.25 C ATOM 1625 C VAL A 100 3.101 10.481 -10.048 1.00 22.41 C ATOM 1626 O VAL A 100 2.628 11.596 -9.954 1.00 63.22 O ATOM 1627 CB VAL A 100 1.332 9.130 -8.885 1.00 2.35 C ATOM 1628 CG1 VAL A 100 0.433 7.896 -8.999 1.00 33.22 C ATOM 1629 CG2 VAL A 100 2.223 8.996 -7.647 1.00 40.11 C ATOM 0 H VAL A 100 3.740 7.948 -9.389 1.00 43.32 H new ATOM 0 HA VAL A 100 1.614 9.341 -11.039 1.00 11.25 H new ATOM 0 HB VAL A 100 0.713 10.023 -8.796 1.00 2.35 H new ATOM 0 HG11 VAL A 100 -0.191 7.817 -8.109 1.00 33.22 H new ATOM 0 HG12 VAL A 100 -0.201 7.988 -9.881 1.00 33.22 H new ATOM 0 HG13 VAL A 100 1.051 7.003 -9.089 1.00 33.22 H new ATOM 0 HG21 VAL A 100 1.599 8.915 -6.757 1.00 40.11 H new ATOM 0 HG22 VAL A 100 2.842 8.103 -7.739 1.00 40.11 H new ATOM 0 HG23 VAL A 100 2.863 9.874 -7.563 1.00 40.11 H new ATOM 1639 N MET A 101 4.393 10.296 -10.082 1.00 31.41 N ATOM 1640 CA MET A 101 5.317 11.465 -10.007 1.00 5.11 C ATOM 1641 C MET A 101 6.575 11.200 -10.836 1.00 14.12 C ATOM 1642 O MET A 101 6.564 10.417 -11.765 1.00 33.43 O ATOM 1643 CB MET A 101 5.667 11.597 -8.524 1.00 40.11 C ATOM 1644 CG MET A 101 6.382 10.330 -8.052 1.00 54.31 C ATOM 1645 SD MET A 101 5.964 10.012 -6.320 1.00 43.01 S ATOM 1646 CE MET A 101 6.413 8.257 -6.294 1.00 65.31 C ATOM 0 H MET A 101 4.849 9.387 -10.158 1.00 31.41 H new ATOM 0 HA MET A 101 4.865 12.375 -10.402 1.00 5.11 H new ATOM 0 HB2 MET A 101 6.305 12.467 -8.366 1.00 40.11 H new ATOM 0 HB3 MET A 101 4.761 11.755 -7.939 1.00 40.11 H new ATOM 0 HG2 MET A 101 6.088 9.482 -8.670 1.00 54.31 H new ATOM 0 HG3 MET A 101 7.460 10.446 -8.162 1.00 54.31 H new ATOM 0 HE1 MET A 101 6.231 7.850 -5.299 1.00 65.31 H new ATOM 0 HE2 MET A 101 5.810 7.716 -7.023 1.00 65.31 H new ATOM 0 HE3 MET A 101 7.468 8.148 -6.544 1.00 65.31 H new ATOM 1656 N GLY A 102 7.660 11.847 -10.511 1.00 73.30 N ATOM 1657 CA GLY A 102 8.917 11.630 -11.284 1.00 44.11 C ATOM 1658 C GLY A 102 10.103 11.550 -10.324 1.00 12.12 C ATOM 1659 O GLY A 102 9.981 11.824 -9.148 1.00 64.35 O ATOM 0 H GLY A 102 7.731 12.516 -9.744 1.00 73.30 H new ATOM 0 HA2 GLY A 102 8.844 10.711 -11.865 1.00 44.11 H new ATOM 0 HA3 GLY A 102 9.065 12.444 -11.993 1.00 44.11 H new ATOM 1663 N GLN A 103 11.253 11.179 -10.815 1.00 74.13 N ATOM 1664 CA GLN A 103 12.448 11.082 -9.928 1.00 41.42 C ATOM 1665 C GLN A 103 13.656 11.752 -10.587 1.00 20.33 C ATOM 1666 O GLN A 103 13.582 12.237 -11.699 1.00 24.31 O ATOM 1667 CB GLN A 103 12.693 9.583 -9.760 1.00 12.12 C ATOM 1668 CG GLN A 103 12.150 9.126 -8.406 1.00 54.12 C ATOM 1669 CD GLN A 103 13.286 8.529 -7.576 1.00 12.42 C ATOM 1670 OE1 GLN A 103 14.289 8.101 -8.112 1.00 14.02 O ATOM 1671 NE2 GLN A 103 13.173 8.481 -6.277 1.00 33.50 N ATOM 0 H GLN A 103 11.418 10.939 -11.792 1.00 74.13 H new ATOM 0 HA GLN A 103 12.293 11.582 -8.972 1.00 41.42 H new ATOM 0 HB2 GLN A 103 12.205 9.032 -10.564 1.00 12.12 H new ATOM 0 HB3 GLN A 103 13.760 9.368 -9.827 1.00 12.12 H new ATOM 0 HG2 GLN A 103 11.704 9.969 -7.878 1.00 54.12 H new ATOM 0 HG3 GLN A 103 11.362 8.386 -8.549 1.00 54.12 H new ATOM 0 HE21 GLN A 103 12.332 8.840 -5.825 1.00 33.50 H new ATOM 0 HE22 GLN A 103 13.926 8.085 -5.714 1.00 33.50 H new ATOM 1680 N LYS A 104 14.772 11.784 -9.910 1.00 61.21 N ATOM 1681 CA LYS A 104 15.985 12.420 -10.498 1.00 71.30 C ATOM 1682 C LYS A 104 17.058 11.362 -10.761 1.00 73.31 C ATOM 1683 O LYS A 104 17.009 10.269 -10.233 1.00 22.21 O ATOM 1684 CB LYS A 104 16.457 13.421 -9.443 1.00 12.02 C ATOM 1685 CG LYS A 104 15.539 14.644 -9.461 1.00 62.52 C ATOM 1686 CD LYS A 104 15.791 15.498 -8.217 1.00 3.31 C ATOM 1687 CE LYS A 104 15.534 16.968 -8.551 1.00 4.51 C ATOM 1688 NZ LYS A 104 16.801 17.449 -9.168 1.00 53.30 N ATOM 0 H LYS A 104 14.896 11.397 -8.975 1.00 61.21 H new ATOM 0 HA LYS A 104 15.780 12.905 -11.452 1.00 71.30 H new ATOM 0 HB2 LYS A 104 16.447 12.959 -8.456 1.00 12.02 H new ATOM 0 HB3 LYS A 104 17.486 13.721 -9.644 1.00 12.02 H new ATOM 0 HG2 LYS A 104 15.720 15.233 -10.360 1.00 62.52 H new ATOM 0 HG3 LYS A 104 14.496 14.327 -9.491 1.00 62.52 H new ATOM 0 HD2 LYS A 104 15.138 15.179 -7.405 1.00 3.31 H new ATOM 0 HD3 LYS A 104 16.817 15.366 -7.873 1.00 3.31 H new ATOM 0 HE2 LYS A 104 14.694 17.076 -9.238 1.00 4.51 H new ATOM 0 HE3 LYS A 104 15.289 17.539 -7.656 1.00 4.51 H new ATOM 0 HZ1 LYS A 104 16.583 18.129 -9.924 1.00 53.30 H new ATOM 0 HZ2 LYS A 104 17.386 17.912 -8.443 1.00 53.30 H new ATOM 0 HZ3 LYS A 104 17.320 16.642 -9.568 1.00 53.30 H new ATOM 1702 N THR A 105 18.025 11.673 -11.582 1.00 2.42 N ATOM 1703 CA THR A 105 19.092 10.671 -11.878 1.00 23.14 C ATOM 1704 C THR A 105 20.477 11.310 -11.758 1.00 51.41 C ATOM 1705 O THR A 105 20.658 12.483 -12.013 1.00 74.43 O ATOM 1706 CB THR A 105 18.826 10.235 -13.320 1.00 22.21 C ATOM 1707 OG1 THR A 105 18.272 11.324 -14.047 1.00 0.40 O ATOM 1708 CG2 THR A 105 17.847 9.062 -13.325 1.00 42.30 C ATOM 0 H THR A 105 18.123 12.570 -12.058 1.00 2.42 H new ATOM 0 HA THR A 105 19.074 9.832 -11.183 1.00 23.14 H new ATOM 0 HB THR A 105 19.761 9.926 -13.787 1.00 22.21 H new ATOM 0 HG1 THR A 105 18.102 11.047 -14.972 1.00 0.40 H new ATOM 0 HG21 THR A 105 17.657 8.751 -14.352 1.00 42.30 H new ATOM 0 HG22 THR A 105 18.274 8.229 -12.767 1.00 42.30 H new ATOM 0 HG23 THR A 105 16.910 9.368 -12.860 1.00 42.30 H new ATOM 1716 N ASP A 106 21.460 10.539 -11.376 1.00 0.20 N ATOM 1717 CA ASP A 106 22.838 11.091 -11.243 1.00 23.03 C ATOM 1718 C ASP A 106 22.877 12.186 -10.173 1.00 41.03 C ATOM 1719 O ASP A 106 23.850 12.902 -10.046 1.00 32.23 O ATOM 1720 CB ASP A 106 23.168 11.672 -12.619 1.00 35.30 C ATOM 1721 CG ASP A 106 24.670 11.539 -12.880 1.00 20.22 C ATOM 1722 OD1 ASP A 106 25.086 10.475 -13.305 1.00 71.02 O ATOM 1723 OD2 ASP A 106 25.377 12.507 -12.651 1.00 5.51 O ATOM 0 H ASP A 106 21.367 9.549 -11.150 1.00 0.20 H new ATOM 0 HA ASP A 106 23.556 10.330 -10.938 1.00 23.03 H new ATOM 0 HB2 ASP A 106 22.606 11.148 -13.392 1.00 35.30 H new ATOM 0 HB3 ASP A 106 22.871 12.720 -12.664 1.00 35.30 H new ATOM 1728 N ASP A 107 21.828 12.314 -9.403 1.00 64.22 N ATOM 1729 CA ASP A 107 21.794 13.358 -8.332 1.00 24.32 C ATOM 1730 C ASP A 107 22.485 14.643 -8.806 1.00 1.14 C ATOM 1731 O ASP A 107 22.267 15.105 -9.910 1.00 23.05 O ATOM 1732 CB ASP A 107 22.543 12.737 -7.151 1.00 1.34 C ATOM 1733 CG ASP A 107 24.013 12.532 -7.519 1.00 3.14 C ATOM 1734 OD1 ASP A 107 24.321 11.503 -8.095 1.00 33.24 O ATOM 1735 OD2 ASP A 107 24.807 13.410 -7.218 1.00 40.52 O ATOM 0 H ASP A 107 20.989 11.738 -9.469 1.00 64.22 H new ATOM 0 HA ASP A 107 20.776 13.639 -8.064 1.00 24.32 H new ATOM 0 HB2 ASP A 107 22.464 13.385 -6.278 1.00 1.34 H new ATOM 0 HB3 ASP A 107 22.090 11.783 -6.882 1.00 1.34 H new ATOM 1740 N THR A 108 23.316 15.227 -7.982 1.00 31.24 N ATOM 1741 CA THR A 108 24.014 16.479 -8.393 1.00 64.13 C ATOM 1742 C THR A 108 25.531 16.292 -8.299 1.00 31.31 C ATOM 1743 O THR A 108 26.112 16.370 -7.235 1.00 53.11 O ATOM 1744 CB THR A 108 23.542 17.539 -7.396 1.00 51.40 C ATOM 1745 OG1 THR A 108 23.710 17.050 -6.073 1.00 3.13 O ATOM 1746 CG2 THR A 108 22.067 17.854 -7.644 1.00 44.01 C ATOM 0 H THR A 108 23.540 14.891 -7.045 1.00 31.24 H new ATOM 0 HA THR A 108 23.791 16.759 -9.423 1.00 64.13 H new ATOM 0 HB THR A 108 24.130 18.448 -7.524 1.00 51.40 H new ATOM 0 HG1 THR A 108 24.627 16.723 -5.959 1.00 3.13 H new ATOM 0 HG21 THR A 108 21.732 18.609 -6.933 1.00 44.01 H new ATOM 0 HG22 THR A 108 21.941 18.230 -8.659 1.00 44.01 H new ATOM 0 HG23 THR A 108 21.475 16.948 -7.517 1.00 44.01 H new ATOM 1754 N ASN A 109 26.175 16.042 -9.407 1.00 2.04 N ATOM 1755 CA ASN A 109 27.653 15.847 -9.382 1.00 32.23 C ATOM 1756 C ASN A 109 28.366 17.166 -9.694 1.00 5.11 C ATOM 1757 O ASN A 109 28.188 17.745 -10.747 1.00 34.14 O ATOM 1758 CB ASN A 109 27.935 14.812 -10.471 1.00 62.34 C ATOM 1759 CG ASN A 109 29.327 14.213 -10.262 1.00 73.05 C ATOM 1760 OD1 ASN A 109 30.245 14.505 -11.003 1.00 1.12 O ATOM 1761 ND2 ASN A 109 29.525 13.382 -9.276 1.00 11.14 N ATOM 0 H ASN A 109 25.742 15.964 -10.327 1.00 2.04 H new ATOM 0 HA ASN A 109 28.010 15.518 -8.406 1.00 32.23 H new ATOM 0 HB2 ASN A 109 27.181 14.025 -10.443 1.00 62.34 H new ATOM 0 HB3 ASN A 109 27.872 15.278 -11.454 1.00 62.34 H new ATOM 0 HD21 ASN A 109 30.450 12.978 -9.127 1.00 11.14 H new ATOM 0 HD22 ASN A 109 28.755 13.136 -8.654 1.00 11.14 H new ATOM 1768 N LYS A 110 29.171 17.644 -8.786 1.00 64.13 N ATOM 1769 CA LYS A 110 29.896 18.924 -9.031 1.00 35.03 C ATOM 1770 C LYS A 110 31.134 18.679 -9.896 1.00 64.33 C ATOM 1771 O LYS A 110 31.751 19.652 -10.300 1.00 22.13 O ATOM 1772 CB LYS A 110 30.298 19.420 -7.642 1.00 2.12 C ATOM 1773 CG LYS A 110 29.364 20.554 -7.219 1.00 71.41 C ATOM 1774 CD LYS A 110 30.175 21.833 -7.008 1.00 53.53 C ATOM 1775 CE LYS A 110 30.234 22.161 -5.515 1.00 21.00 C ATOM 1776 NZ LYS A 110 28.817 22.384 -5.114 1.00 50.44 N ATOM 0 H LYS A 110 29.359 17.204 -7.885 1.00 64.13 H new ATOM 0 HA LYS A 110 29.282 19.651 -9.563 1.00 35.03 H new ATOM 0 HB2 LYS A 110 30.245 18.603 -6.922 1.00 2.12 H new ATOM 0 HB3 LYS A 110 31.331 19.769 -7.653 1.00 2.12 H new ATOM 0 HG2 LYS A 110 28.603 20.716 -7.982 1.00 71.41 H new ATOM 0 HG3 LYS A 110 28.843 20.286 -6.300 1.00 71.41 H new ATOM 0 HD2 LYS A 110 31.183 21.706 -7.403 1.00 53.53 H new ATOM 0 HD3 LYS A 110 29.720 22.659 -7.555 1.00 53.53 H new ATOM 0 HE2 LYS A 110 30.681 21.344 -4.949 1.00 21.00 H new ATOM 0 HE3 LYS A 110 30.841 23.047 -5.329 1.00 21.00 H new ATOM 0 HZ1 LYS A 110 28.759 23.216 -4.493 1.00 50.44 H new ATOM 0 HZ2 LYS A 110 28.237 22.544 -5.962 1.00 50.44 H new ATOM 0 HZ3 LYS A 110 28.464 21.548 -4.606 1.00 50.44 H new TER 1790 LYS A 110