USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 793 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 96 THR OG1 : rot 102:sc= 0.497 USER MOD Set 1.2: A 98 THR OG1 : rot 179:sc= 0.797 USER MOD Set 2.1: A 52 THR OG1 : rot -54:sc= 1.88 USER MOD Set 2.2: A 54 THR OG1 : rot 114:sc= 1.21 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0942 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -144:sc= -0.145 (180deg=-0.696) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot -163:sc= 0.293 USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= -0.433 (180deg=-2.27!) USER MOD Single : A 11 ASN : amide:sc=-0.00789 K(o=-0.0079,f=-1.4) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc=-0.00791 (180deg=-0.141) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 171:sc= -1.22 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -2.33! C(o=-2.3!,f=-7.3!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.00401 X(o=-0.004,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.28 K(o=-1.3,f=-6.5!) USER MOD Single : A 47 THR OG1 : rot 172:sc= -2.27! USER MOD Single : A 48 TYR OH : rot 5:sc= -1.09 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00662) USER MOD Single : A 55 TYR OH : rot 180:sc= -1.54! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 128:sc= 1.27 USER MOD Single : A 67 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.6!) USER MOD Single : A 69 MET CE :methyl -135:sc= -0.768 (180deg=-4.52!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -122:sc= -2.47! (180deg=-4.28!) USER MOD Single : A 82 LYS NZ :NH3+ -135:sc= 1.02 (180deg=-0.226) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 173:sc= -2.17 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= 0.972 K(o=0.97,f=-5.3!) USER MOD Single : A 95 ASN : amide:sc= -1.39! C(o=-1.4!,f=-4.2!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0259) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.261 8.807 -6.585 1.00 4.75 N ATOM 2 CA GLY A 1 -39.460 7.628 -5.710 1.00 3.82 C ATOM 3 C GLY A 1 -39.499 8.019 -4.252 1.00 2.64 C ATOM 4 O GLY A 1 -39.533 9.204 -3.923 1.00 2.97 O ATOM 0 H1 GLY A 1 -40.042 8.868 -7.269 1.00 4.75 H new ATOM 0 H2 GLY A 1 -39.240 9.670 -6.005 1.00 4.75 H new ATOM 0 H3 GLY A 1 -38.360 8.712 -7.096 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -40.391 7.128 -5.978 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -38.655 6.912 -5.874 1.00 3.82 H new ATOM 10 N SER A 2 -39.481 7.032 -3.376 1.00 1.83 N ATOM 11 CA SER A 2 -39.521 7.292 -1.950 1.00 1.07 C ATOM 12 C SER A 2 -38.201 6.879 -1.317 1.00 0.80 C ATOM 13 O SER A 2 -37.596 7.631 -0.560 1.00 0.96 O ATOM 14 CB SER A 2 -40.684 6.537 -1.310 1.00 1.95 C ATOM 15 OG SER A 2 -40.930 6.996 0.008 1.00 2.45 O ATOM 0 H SER A 2 -39.439 6.044 -3.627 1.00 1.83 H new ATOM 0 HA SER A 2 -39.672 8.358 -1.783 1.00 1.07 H new ATOM 0 HB2 SER A 2 -41.581 6.665 -1.916 1.00 1.95 H new ATOM 0 HB3 SER A 2 -40.462 5.470 -1.291 1.00 1.95 H new ATOM 0 HG SER A 2 -41.680 6.497 0.393 1.00 2.45 H new ATOM 21 N HIS A 3 -37.759 5.674 -1.635 1.00 0.62 N ATOM 22 CA HIS A 3 -36.482 5.181 -1.150 1.00 0.44 C ATOM 23 C HIS A 3 -35.491 5.170 -2.310 1.00 0.40 C ATOM 24 O HIS A 3 -35.892 4.951 -3.454 1.00 0.53 O ATOM 25 CB HIS A 3 -36.622 3.774 -0.556 1.00 0.55 C ATOM 26 CG HIS A 3 -37.231 3.749 0.816 1.00 1.04 C ATOM 27 ND1 HIS A 3 -37.165 2.650 1.646 1.00 1.55 N ATOM 28 CD2 HIS A 3 -37.913 4.696 1.507 1.00 1.91 C ATOM 29 CE1 HIS A 3 -37.777 2.922 2.784 1.00 2.22 C ATOM 30 NE2 HIS A 3 -38.238 4.155 2.723 1.00 2.50 N ATOM 0 H HIS A 3 -38.267 5.018 -2.228 1.00 0.62 H new ATOM 0 HA HIS A 3 -36.122 5.837 -0.357 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -37.233 3.167 -1.225 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -35.637 3.309 -0.514 1.00 0.55 H new ATOM 0 HD2 HIS A 3 -38.155 5.691 1.163 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -37.882 2.249 3.622 1.00 2.22 H new ATOM 0 HE2 HIS A 3 -38.754 4.631 3.463 1.00 2.50 H new ATOM 39 N MET A 4 -34.215 5.401 -2.034 1.00 0.38 N ATOM 40 CA MET A 4 -33.220 5.458 -3.099 1.00 0.41 C ATOM 41 C MET A 4 -32.302 4.248 -3.025 1.00 0.37 C ATOM 42 O MET A 4 -31.956 3.789 -1.935 1.00 0.43 O ATOM 43 CB MET A 4 -32.393 6.752 -3.012 1.00 0.54 C ATOM 44 CG MET A 4 -33.230 8.022 -3.082 1.00 1.29 C ATOM 45 SD MET A 4 -34.144 8.181 -4.631 1.00 1.92 S ATOM 46 CE MET A 4 -32.806 8.148 -5.819 1.00 2.06 C ATOM 0 H MET A 4 -33.846 5.550 -1.095 1.00 0.38 H new ATOM 0 HA MET A 4 -33.745 5.451 -4.054 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.830 6.750 -2.079 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.665 6.762 -3.823 1.00 0.54 H new ATOM 0 HG2 MET A 4 -33.933 8.033 -2.249 1.00 1.29 H new ATOM 0 HG3 MET A 4 -32.578 8.887 -2.961 1.00 1.29 H new ATOM 0 HE1 MET A 4 -33.037 8.820 -6.646 1.00 2.06 H new ATOM 0 HE2 MET A 4 -31.883 8.470 -5.337 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.682 7.134 -6.200 1.00 2.06 H new ATOM 56 N GLN A 5 -31.987 3.674 -4.175 1.00 0.34 N ATOM 57 CA GLN A 5 -31.082 2.544 -4.225 1.00 0.33 C ATOM 58 C GLN A 5 -29.634 3.012 -4.149 1.00 0.29 C ATOM 59 O GLN A 5 -29.157 3.726 -5.037 1.00 0.49 O ATOM 60 CB GLN A 5 -31.279 1.748 -5.515 1.00 0.44 C ATOM 61 CG GLN A 5 -30.338 0.558 -5.632 1.00 0.53 C ATOM 62 CD GLN A 5 -30.295 -0.031 -7.025 1.00 1.07 C ATOM 63 OE1 GLN A 5 -31.065 -0.927 -7.365 1.00 1.90 O ATOM 64 NE2 GLN A 5 -29.383 0.467 -7.845 1.00 1.53 N ATOM 0 H GLN A 5 -32.345 3.973 -5.082 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.304 1.906 -3.369 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.309 1.395 -5.563 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.128 2.408 -6.369 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.333 0.867 -5.344 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.648 -0.214 -4.927 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -28.762 1.210 -7.526 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -29.301 0.107 -8.796 1.00 1.53 H new ATOM 73 N TYR A 6 -28.939 2.624 -3.093 1.00 0.20 N ATOM 74 CA TYR A 6 -27.523 2.950 -2.971 1.00 0.21 C ATOM 75 C TYR A 6 -26.705 1.711 -3.312 1.00 0.23 C ATOM 76 O TYR A 6 -27.132 0.584 -3.048 1.00 0.30 O ATOM 77 CB TYR A 6 -27.182 3.515 -1.570 1.00 0.28 C ATOM 78 CG TYR A 6 -27.749 4.909 -1.357 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.976 6.040 -1.606 1.00 0.79 C ATOM 80 CD2 TYR A 6 -29.048 5.097 -0.888 1.00 0.78 C ATOM 81 CE1 TYR A 6 -27.478 7.311 -1.397 1.00 0.82 C ATOM 82 CE2 TYR A 6 -29.555 6.369 -0.680 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.812 7.462 -1.002 1.00 0.43 C ATOM 84 OH TYR A 6 -29.262 8.739 -0.722 1.00 0.53 O ATOM 0 H TYR A 6 -29.324 2.089 -2.315 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.271 3.743 -3.675 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.574 2.845 -0.805 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.100 3.542 -1.445 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.966 5.922 -1.969 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.669 4.237 -0.684 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.848 8.177 -1.537 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -30.543 6.493 -0.261 1.00 0.83 H new ATOM 0 HH TYR A 6 -30.100 8.687 -0.217 1.00 0.53 H new ATOM 94 N LYS A 7 -25.542 1.920 -3.902 1.00 0.26 N ATOM 95 CA LYS A 7 -24.756 0.808 -4.434 1.00 0.30 C ATOM 96 C LYS A 7 -23.421 0.689 -3.716 1.00 0.23 C ATOM 97 O LYS A 7 -22.806 1.700 -3.395 1.00 0.31 O ATOM 98 CB LYS A 7 -24.493 1.037 -5.932 1.00 0.50 C ATOM 99 CG LYS A 7 -24.049 -0.196 -6.705 1.00 0.98 C ATOM 100 CD LYS A 7 -23.903 0.121 -8.187 1.00 1.30 C ATOM 101 CE LYS A 7 -23.581 -1.124 -8.996 1.00 1.94 C ATOM 102 NZ LYS A 7 -22.355 -1.797 -8.500 1.00 2.57 N ATOM 0 H LYS A 7 -25.119 2.839 -4.027 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.322 -0.111 -4.282 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -25.403 1.426 -6.390 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -23.729 1.807 -6.037 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -23.099 -0.556 -6.310 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -24.775 -0.997 -6.569 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -24.826 0.567 -8.557 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -23.114 0.860 -8.326 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -24.421 -1.817 -8.948 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -23.450 -0.854 -10.044 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -21.899 -2.309 -9.282 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -21.697 -1.086 -8.122 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -22.608 -2.469 -7.748 1.00 2.57 H new ATOM 116 N LEU A 8 -22.980 -0.535 -3.453 1.00 0.22 N ATOM 117 CA LEU A 8 -21.654 -0.743 -2.876 1.00 0.20 C ATOM 118 C LEU A 8 -20.840 -1.682 -3.751 1.00 0.17 C ATOM 119 O LEU A 8 -21.382 -2.604 -4.366 1.00 0.25 O ATOM 120 CB LEU A 8 -21.714 -1.325 -1.458 1.00 0.28 C ATOM 121 CG LEU A 8 -20.384 -1.337 -0.696 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.947 0.067 -0.290 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.518 -2.228 0.511 1.00 0.33 C ATOM 0 H LEU A 8 -23.511 -1.389 -3.626 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.182 0.238 -2.823 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.440 -0.754 -0.879 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -22.088 -2.347 -1.518 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.609 -1.726 -1.356 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -19.000 0.012 0.247 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.823 0.682 -1.182 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.705 0.512 0.355 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.576 -2.242 1.059 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.308 -1.848 1.158 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.767 -3.240 0.191 1.00 0.33 H new ATOM 135 N ILE A 9 -19.546 -1.418 -3.820 1.00 0.15 N ATOM 136 CA ILE A 9 -18.620 -2.252 -4.559 1.00 0.14 C ATOM 137 C ILE A 9 -17.406 -2.543 -3.684 1.00 0.13 C ATOM 138 O ILE A 9 -16.700 -1.621 -3.267 1.00 0.17 O ATOM 139 CB ILE A 9 -18.168 -1.578 -5.881 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.374 -1.343 -6.816 1.00 0.26 C ATOM 141 CG2 ILE A 9 -17.114 -2.436 -6.573 1.00 0.26 C ATOM 142 CD1 ILE A 9 -19.019 -0.553 -8.064 1.00 0.62 C ATOM 0 H ILE A 9 -19.110 -0.617 -3.363 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.128 -3.180 -4.822 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.730 -0.608 -5.643 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.791 -2.306 -7.110 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -20.153 -0.813 -6.268 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.804 -1.954 -7.500 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.251 -2.551 -5.917 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.533 -3.417 -6.797 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.910 -0.423 -8.678 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.630 0.424 -7.778 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.262 -1.093 -8.633 1.00 0.62 H new ATOM 154 N LEU A 10 -17.210 -3.810 -3.332 1.00 0.12 N ATOM 155 CA LEU A 10 -16.070 -4.173 -2.505 1.00 0.13 C ATOM 156 C LEU A 10 -14.911 -4.544 -3.397 1.00 0.15 C ATOM 157 O LEU A 10 -14.959 -5.548 -4.112 1.00 0.25 O ATOM 158 CB LEU A 10 -16.345 -5.340 -1.537 1.00 0.14 C ATOM 159 CG LEU A 10 -17.531 -5.211 -0.564 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.570 -3.855 0.112 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.854 -5.513 -1.261 1.00 0.19 C ATOM 0 H LEU A 10 -17.814 -4.587 -3.601 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.845 -3.301 -1.890 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.500 -6.239 -2.134 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.444 -5.502 -0.945 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.382 -5.956 0.218 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.423 -3.810 0.789 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.650 -3.703 0.677 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.665 -3.075 -0.643 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.672 -5.413 -0.548 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -19.001 -4.811 -2.082 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.835 -6.530 -1.652 1.00 0.19 H new ATOM 173 N ASN A 11 -13.904 -3.699 -3.416 1.00 0.15 N ATOM 174 CA ASN A 11 -12.736 -3.970 -4.218 1.00 0.18 C ATOM 175 C ASN A 11 -11.601 -4.364 -3.297 1.00 0.20 C ATOM 176 O ASN A 11 -10.795 -3.530 -2.878 1.00 0.24 O ATOM 177 CB ASN A 11 -12.377 -2.728 -5.038 1.00 0.24 C ATOM 178 CG ASN A 11 -11.475 -3.025 -6.217 1.00 1.01 C ATOM 179 OD1 ASN A 11 -10.642 -3.933 -6.176 1.00 1.96 O ATOM 180 ND2 ASN A 11 -11.653 -2.264 -7.287 1.00 1.33 N ATOM 0 H ASN A 11 -13.871 -2.826 -2.889 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.929 -4.787 -4.913 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -13.294 -2.263 -5.400 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.887 -2.003 -4.389 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -11.088 -2.418 -8.122 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.355 -1.524 -7.275 1.00 1.33 H new ATOM 187 N GLY A 12 -11.559 -5.641 -2.969 1.00 0.21 N ATOM 188 CA GLY A 12 -10.526 -6.145 -2.099 1.00 0.26 C ATOM 189 C GLY A 12 -10.141 -7.556 -2.472 1.00 0.39 C ATOM 190 O GLY A 12 -10.985 -8.354 -2.855 1.00 0.91 O ATOM 0 H GLY A 12 -12.226 -6.341 -3.292 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.650 -5.499 -2.157 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.873 -6.120 -1.066 1.00 0.26 H new ATOM 194 N LYS A 13 -8.867 -7.853 -2.325 1.00 0.44 N ATOM 195 CA LYS A 13 -8.279 -9.138 -2.710 1.00 0.56 C ATOM 196 C LYS A 13 -8.979 -10.338 -2.069 1.00 0.66 C ATOM 197 O LYS A 13 -8.971 -11.432 -2.631 1.00 0.89 O ATOM 198 CB LYS A 13 -6.785 -9.121 -2.367 1.00 0.76 C ATOM 199 CG LYS A 13 -6.060 -7.969 -3.045 1.00 1.17 C ATOM 200 CD LYS A 13 -4.670 -7.737 -2.485 1.00 1.63 C ATOM 201 CE LYS A 13 -4.072 -6.464 -3.059 1.00 2.41 C ATOM 202 NZ LYS A 13 -2.788 -6.096 -2.412 1.00 3.26 N ATOM 0 H LYS A 13 -8.190 -7.202 -1.928 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.416 -9.262 -3.784 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.662 -9.042 -1.287 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.332 -10.064 -2.672 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -5.987 -8.171 -4.114 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.649 -7.059 -2.932 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.716 -7.666 -1.398 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.029 -8.586 -2.722 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -3.912 -6.592 -4.129 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.783 -5.646 -2.939 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -2.422 -5.221 -2.839 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -2.942 -5.946 -1.395 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -2.098 -6.863 -2.548 1.00 3.26 H new ATOM 216 N THR A 14 -9.616 -10.140 -0.929 1.00 0.76 N ATOM 217 CA THR A 14 -10.338 -11.232 -0.292 1.00 1.06 C ATOM 218 C THR A 14 -11.829 -11.165 -0.638 1.00 0.93 C ATOM 219 O THR A 14 -12.447 -12.182 -0.951 1.00 1.20 O ATOM 220 CB THR A 14 -10.146 -11.217 1.237 1.00 1.44 C ATOM 221 OG1 THR A 14 -8.755 -11.064 1.541 1.00 1.93 O ATOM 222 CG2 THR A 14 -10.659 -12.507 1.867 1.00 1.86 C ATOM 0 H THR A 14 -9.650 -9.251 -0.431 1.00 0.76 H new ATOM 0 HA THR A 14 -9.928 -12.167 -0.674 1.00 1.06 H new ATOM 0 HB THR A 14 -10.715 -10.382 1.646 1.00 1.44 H new ATOM 0 HG1 THR A 14 -8.632 -11.053 2.513 1.00 1.93 H new ATOM 0 HG21 THR A 14 -10.511 -12.469 2.946 1.00 1.86 H new ATOM 0 HG22 THR A 14 -11.721 -12.620 1.650 1.00 1.86 H new ATOM 0 HG23 THR A 14 -10.112 -13.355 1.456 1.00 1.86 H new ATOM 230 N LEU A 15 -12.386 -9.958 -0.652 1.00 0.64 N ATOM 231 CA LEU A 15 -13.795 -9.769 -0.950 1.00 0.66 C ATOM 232 C LEU A 15 -13.993 -8.841 -2.143 1.00 0.49 C ATOM 233 O LEU A 15 -13.838 -7.626 -2.027 1.00 0.55 O ATOM 234 CB LEU A 15 -14.530 -9.182 0.264 1.00 0.92 C ATOM 235 CG LEU A 15 -15.092 -10.182 1.273 1.00 1.07 C ATOM 236 CD1 LEU A 15 -15.891 -11.248 0.554 1.00 1.80 C ATOM 237 CD2 LEU A 15 -13.983 -10.804 2.111 1.00 1.35 C ATOM 0 H LEU A 15 -11.878 -9.095 -0.459 1.00 0.64 H new ATOM 0 HA LEU A 15 -14.207 -10.749 -1.192 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -13.844 -8.518 0.789 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -15.353 -8.567 -0.101 1.00 0.92 H new ATOM 0 HG LEU A 15 -15.754 -9.648 1.955 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -16.288 -11.957 1.280 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.715 -10.782 0.013 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -15.246 -11.773 -0.150 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -14.415 -11.511 2.819 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -13.283 -11.326 1.458 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -13.456 -10.021 2.656 1.00 1.35 H new ATOM 249 N LYS A 16 -14.255 -9.423 -3.307 1.00 0.42 N ATOM 250 CA LYS A 16 -14.595 -8.638 -4.490 1.00 0.37 C ATOM 251 C LYS A 16 -16.042 -8.935 -4.869 1.00 0.43 C ATOM 252 O LYS A 16 -16.381 -10.071 -5.208 1.00 0.58 O ATOM 253 CB LYS A 16 -13.695 -8.958 -5.696 1.00 0.45 C ATOM 254 CG LYS A 16 -12.191 -8.883 -5.459 1.00 0.43 C ATOM 255 CD LYS A 16 -11.597 -10.256 -5.422 1.00 1.03 C ATOM 256 CE LYS A 16 -10.082 -10.220 -5.352 1.00 1.81 C ATOM 257 NZ LYS A 16 -9.480 -9.742 -6.625 1.00 2.49 N ATOM 0 H LYS A 16 -14.239 -10.432 -3.458 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.449 -7.587 -4.242 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.936 -9.962 -6.045 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.948 -8.271 -6.503 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.721 -8.298 -6.250 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.990 -8.368 -4.520 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -11.987 -10.796 -4.559 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.906 -10.808 -6.310 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -9.772 -9.567 -4.536 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -9.705 -11.217 -5.124 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -8.456 -9.922 -6.614 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -9.911 -10.248 -7.425 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -9.651 -8.721 -6.728 1.00 2.49 H new ATOM 271 N GLY A 17 -16.886 -7.926 -4.811 1.00 0.33 N ATOM 272 CA GLY A 17 -18.291 -8.127 -5.091 1.00 0.39 C ATOM 273 C GLY A 17 -19.087 -6.855 -4.910 1.00 0.26 C ATOM 274 O GLY A 17 -18.508 -5.778 -4.756 1.00 0.23 O ATOM 0 H GLY A 17 -16.627 -6.968 -4.575 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.410 -8.488 -6.113 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.686 -8.900 -4.432 1.00 0.39 H new ATOM 278 N GLU A 18 -20.407 -6.971 -4.893 1.00 0.28 N ATOM 279 CA GLU A 18 -21.261 -5.805 -4.725 1.00 0.23 C ATOM 280 C GLU A 18 -22.436 -6.118 -3.815 1.00 0.29 C ATOM 281 O GLU A 18 -22.664 -7.270 -3.445 1.00 0.49 O ATOM 282 CB GLU A 18 -21.822 -5.334 -6.070 1.00 0.46 C ATOM 283 CG GLU A 18 -20.802 -5.161 -7.185 1.00 0.70 C ATOM 284 CD GLU A 18 -21.451 -4.652 -8.455 1.00 1.17 C ATOM 285 OE1 GLU A 18 -22.600 -5.053 -8.741 1.00 1.69 O ATOM 286 OE2 GLU A 18 -20.838 -3.821 -9.152 1.00 1.69 O ATOM 0 H GLU A 18 -20.907 -7.854 -4.993 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.643 -5.023 -4.284 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.575 -6.050 -6.399 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.331 -4.382 -5.917 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.027 -4.464 -6.866 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -20.311 -6.114 -7.382 1.00 0.70 H new ATOM 293 N THR A 19 -23.216 -5.088 -3.525 1.00 0.22 N ATOM 294 CA THR A 19 -24.413 -5.222 -2.719 1.00 0.32 C ATOM 295 C THR A 19 -25.212 -3.920 -2.769 1.00 0.29 C ATOM 296 O THR A 19 -24.676 -2.864 -3.124 1.00 0.31 O ATOM 297 CB THR A 19 -24.082 -5.604 -1.257 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.289 -5.850 -0.519 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.278 -4.506 -0.560 1.00 0.45 C ATOM 0 H THR A 19 -23.034 -4.136 -3.844 1.00 0.22 H new ATOM 0 HA THR A 19 -25.014 -6.032 -3.133 1.00 0.32 H new ATOM 0 HB THR A 19 -23.478 -6.511 -1.285 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.065 -6.092 0.404 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.063 -4.808 0.465 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.342 -4.345 -1.095 1.00 0.45 H new ATOM 0 HG23 THR A 19 -23.855 -3.581 -0.553 1.00 0.45 H new ATOM 307 N THR A 20 -26.498 -4.011 -2.490 1.00 0.27 N ATOM 308 CA THR A 20 -27.374 -2.852 -2.532 1.00 0.24 C ATOM 309 C THR A 20 -28.207 -2.750 -1.256 1.00 0.25 C ATOM 310 O THR A 20 -28.347 -3.729 -0.523 1.00 0.31 O ATOM 311 CB THR A 20 -28.323 -2.930 -3.750 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.712 -4.294 -3.976 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.685 -2.371 -5.022 1.00 0.32 C ATOM 0 H THR A 20 -26.963 -4.881 -2.230 1.00 0.27 H new ATOM 0 HA THR A 20 -26.743 -1.967 -2.619 1.00 0.24 H new ATOM 0 HB THR A 20 -29.195 -2.318 -3.519 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.315 -4.339 -4.748 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.392 -2.449 -5.848 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.421 -1.325 -4.867 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.786 -2.940 -5.259 1.00 0.32 H new ATOM 321 N THR A 21 -28.738 -1.566 -0.987 1.00 0.23 N ATOM 322 CA THR A 21 -29.591 -1.364 0.177 1.00 0.26 C ATOM 323 C THR A 21 -30.580 -0.231 -0.096 1.00 0.25 C ATOM 324 O THR A 21 -30.295 0.673 -0.887 1.00 0.26 O ATOM 325 CB THR A 21 -28.775 -1.064 1.467 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.622 -1.187 2.621 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.166 0.346 1.448 1.00 0.28 C ATOM 0 H THR A 21 -28.594 -0.732 -1.557 1.00 0.23 H new ATOM 0 HA THR A 21 -30.132 -2.294 0.350 1.00 0.26 H new ATOM 0 HB THR A 21 -27.962 -1.789 1.511 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.102 -0.999 3.430 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.605 0.512 2.368 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.497 0.442 0.593 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.963 1.086 1.370 1.00 0.28 H new ATOM 335 N GLU A 22 -31.758 -0.315 0.508 1.00 0.31 N ATOM 336 CA GLU A 22 -32.784 0.702 0.322 1.00 0.36 C ATOM 337 C GLU A 22 -32.675 1.741 1.438 1.00 0.36 C ATOM 338 O GLU A 22 -32.981 1.441 2.588 1.00 0.58 O ATOM 339 CB GLU A 22 -34.193 0.071 0.352 1.00 0.51 C ATOM 340 CG GLU A 22 -34.260 -1.390 -0.100 1.00 1.16 C ATOM 341 CD GLU A 22 -33.935 -2.368 1.018 1.00 1.77 C ATOM 342 OE1 GLU A 22 -32.749 -2.710 1.194 1.00 2.26 O ATOM 343 OE2 GLU A 22 -34.873 -2.804 1.724 1.00 2.24 O ATOM 0 H GLU A 22 -32.027 -1.077 1.131 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.633 1.175 -0.648 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.583 0.139 1.368 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -34.853 0.662 -0.283 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -35.258 -1.602 -0.483 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.563 -1.543 -0.924 1.00 1.16 H new ATOM 350 N ALA A 23 -32.230 2.949 1.113 1.00 0.26 N ATOM 351 CA ALA A 23 -32.085 3.995 2.123 1.00 0.28 C ATOM 352 C ALA A 23 -32.553 5.330 1.557 1.00 0.31 C ATOM 353 O ALA A 23 -32.749 5.455 0.349 1.00 0.38 O ATOM 354 CB ALA A 23 -30.629 4.090 2.587 1.00 0.32 C ATOM 0 H ALA A 23 -31.965 3.229 0.169 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.703 3.743 2.985 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.537 4.874 3.339 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -30.321 3.137 3.017 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.991 4.328 1.736 1.00 0.32 H new ATOM 360 N VAL A 24 -32.820 6.299 2.420 1.00 0.35 N ATOM 361 CA VAL A 24 -33.235 7.603 1.976 1.00 0.45 C ATOM 362 C VAL A 24 -32.044 8.573 1.878 1.00 0.49 C ATOM 363 O VAL A 24 -31.842 9.210 0.840 1.00 0.74 O ATOM 364 CB VAL A 24 -34.330 8.155 2.915 1.00 0.56 C ATOM 365 CG1 VAL A 24 -34.009 7.877 4.377 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.510 9.630 2.699 1.00 1.09 C ATOM 0 H VAL A 24 -32.754 6.197 3.433 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.651 7.507 0.973 1.00 0.45 H new ATOM 0 HB VAL A 24 -35.260 7.641 2.673 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -34.802 8.280 5.007 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -33.932 6.801 4.534 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -33.062 8.350 4.638 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -35.285 10.004 3.368 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.572 10.145 2.906 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -34.804 9.813 1.665 1.00 1.09 H new ATOM 376 N ASP A 25 -31.198 8.610 2.907 1.00 0.39 N ATOM 377 CA ASP A 25 -30.053 9.528 2.909 1.00 0.45 C ATOM 378 C ASP A 25 -28.769 8.779 2.598 1.00 0.39 C ATOM 379 O ASP A 25 -28.673 7.573 2.826 1.00 0.35 O ATOM 380 CB ASP A 25 -29.889 10.261 4.254 1.00 0.54 C ATOM 381 CG ASP A 25 -31.129 11.027 4.671 1.00 1.25 C ATOM 382 OD1 ASP A 25 -31.311 12.167 4.203 1.00 1.51 O ATOM 383 OD2 ASP A 25 -31.912 10.504 5.492 1.00 2.13 O ATOM 0 H ASP A 25 -31.279 8.026 3.739 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.252 10.272 2.137 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -29.641 9.535 5.028 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.049 10.952 4.184 1.00 0.54 H new ATOM 388 N ALA A 26 -27.775 9.509 2.109 1.00 0.44 N ATOM 389 CA ALA A 26 -26.489 8.924 1.767 1.00 0.46 C ATOM 390 C ALA A 26 -25.712 8.562 3.029 1.00 0.38 C ATOM 391 O ALA A 26 -25.161 7.469 3.140 1.00 0.37 O ATOM 392 CB ALA A 26 -25.696 9.896 0.904 1.00 0.59 C ATOM 0 H ALA A 26 -27.838 10.513 1.940 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.655 8.007 1.201 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.733 9.454 0.650 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.251 10.107 -0.010 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.536 10.823 1.454 1.00 0.59 H new ATOM 398 N ALA A 27 -25.745 9.459 4.013 1.00 0.39 N ATOM 399 CA ALA A 27 -25.057 9.237 5.283 1.00 0.38 C ATOM 400 C ALA A 27 -25.604 7.996 5.985 1.00 0.31 C ATOM 401 O ALA A 27 -24.860 7.244 6.611 1.00 0.32 O ATOM 402 CB ALA A 27 -25.195 10.460 6.179 1.00 0.48 C ATOM 0 H ALA A 27 -26.242 10.348 3.955 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.999 9.073 5.077 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.678 10.281 7.122 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.756 11.326 5.683 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.250 10.650 6.375 1.00 0.48 H new ATOM 408 N THR A 28 -26.904 7.771 5.845 1.00 0.31 N ATOM 409 CA THR A 28 -27.555 6.611 6.444 1.00 0.30 C ATOM 410 C THR A 28 -27.133 5.332 5.725 1.00 0.24 C ATOM 411 O THR A 28 -27.014 4.273 6.336 1.00 0.28 O ATOM 412 CB THR A 28 -29.087 6.747 6.370 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.461 8.094 6.672 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.772 5.809 7.356 1.00 0.45 C ATOM 0 H THR A 28 -27.532 8.379 5.319 1.00 0.31 H new ATOM 0 HA THR A 28 -27.249 6.560 7.489 1.00 0.30 H new ATOM 0 HB THR A 28 -29.403 6.482 5.361 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.415 8.218 6.485 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.853 5.928 7.280 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.503 4.778 7.124 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.451 6.049 8.370 1.00 0.45 H new ATOM 422 N ALA A 29 -26.860 5.461 4.430 1.00 0.21 N ATOM 423 CA ALA A 29 -26.462 4.330 3.615 1.00 0.22 C ATOM 424 C ALA A 29 -25.030 3.928 3.936 1.00 0.21 C ATOM 425 O ALA A 29 -24.690 2.745 3.928 1.00 0.25 O ATOM 426 CB ALA A 29 -26.615 4.674 2.141 1.00 0.28 C ATOM 0 H ALA A 29 -26.909 6.346 3.925 1.00 0.21 H new ATOM 0 HA ALA A 29 -27.109 3.482 3.839 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -26.314 3.820 1.535 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.656 4.919 1.931 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.985 5.530 1.900 1.00 0.28 H new ATOM 432 N GLU A 30 -24.212 4.918 4.276 1.00 0.19 N ATOM 433 CA GLU A 30 -22.821 4.673 4.625 1.00 0.20 C ATOM 434 C GLU A 30 -22.760 3.804 5.884 1.00 0.20 C ATOM 435 O GLU A 30 -22.207 2.708 5.855 1.00 0.23 O ATOM 436 CB GLU A 30 -22.080 5.998 4.865 1.00 0.24 C ATOM 437 CG GLU A 30 -20.580 5.922 4.630 1.00 0.35 C ATOM 438 CD GLU A 30 -19.855 7.195 5.025 1.00 0.50 C ATOM 439 OE1 GLU A 30 -18.945 7.129 5.877 1.00 1.14 O ATOM 440 OE2 GLU A 30 -20.199 8.272 4.493 1.00 1.29 O ATOM 0 H GLU A 30 -24.490 5.898 4.317 1.00 0.19 H new ATOM 0 HA GLU A 30 -22.335 4.155 3.798 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.501 6.761 4.210 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.260 6.322 5.890 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -20.170 5.086 5.197 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -20.392 5.715 3.576 1.00 0.35 H new ATOM 447 N LYS A 31 -23.451 4.263 6.941 1.00 0.20 N ATOM 448 CA LYS A 31 -23.500 3.566 8.239 1.00 0.24 C ATOM 449 C LYS A 31 -23.770 2.067 8.096 1.00 0.22 C ATOM 450 O LYS A 31 -23.112 1.253 8.746 1.00 0.26 O ATOM 451 CB LYS A 31 -24.608 4.139 9.135 1.00 0.29 C ATOM 452 CG LYS A 31 -24.486 5.598 9.505 1.00 0.39 C ATOM 453 CD LYS A 31 -25.695 6.012 10.323 1.00 1.10 C ATOM 454 CE LYS A 31 -25.603 7.443 10.811 1.00 1.86 C ATOM 455 NZ LYS A 31 -26.762 7.799 11.680 1.00 2.42 N ATOM 0 H LYS A 31 -23.992 5.128 6.920 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.516 3.718 8.683 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.564 3.993 8.632 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.640 3.555 10.055 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.572 5.765 10.076 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.416 6.208 8.605 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -26.595 5.894 9.720 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -25.796 5.345 11.179 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -24.675 7.580 11.366 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -25.566 8.119 9.956 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -26.668 8.785 11.997 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -27.645 7.691 11.142 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -26.782 7.170 12.508 1.00 2.42 H new ATOM 469 N VAL A 32 -24.716 1.702 7.238 1.00 0.20 N ATOM 470 CA VAL A 32 -25.113 0.303 7.089 1.00 0.22 C ATOM 471 C VAL A 32 -23.999 -0.517 6.458 1.00 0.18 C ATOM 472 O VAL A 32 -23.622 -1.570 6.975 1.00 0.20 O ATOM 473 CB VAL A 32 -26.395 0.169 6.237 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.829 -1.288 6.122 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.515 1.017 6.822 1.00 0.29 C ATOM 0 H VAL A 32 -25.222 2.351 6.636 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.315 -0.080 8.089 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.172 0.532 5.234 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.734 -1.352 5.517 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.036 -1.868 5.650 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -27.029 -1.688 7.116 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.410 0.910 6.209 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.729 0.686 7.838 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.209 2.063 6.838 1.00 0.29 H new ATOM 485 N PHE A 33 -23.432 -0.005 5.379 1.00 0.16 N ATOM 486 CA PHE A 33 -22.379 -0.718 4.676 1.00 0.15 C ATOM 487 C PHE A 33 -21.077 -0.723 5.464 1.00 0.15 C ATOM 488 O PHE A 33 -20.184 -1.513 5.175 1.00 0.17 O ATOM 489 CB PHE A 33 -22.135 -0.110 3.301 1.00 0.17 C ATOM 490 CG PHE A 33 -23.207 -0.417 2.287 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.769 -1.683 2.202 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.639 0.562 1.406 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.742 -1.964 1.258 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.613 0.287 0.463 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.163 -0.977 0.390 1.00 0.29 C ATOM 0 H PHE A 33 -23.681 0.897 4.972 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.717 -1.748 4.561 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.049 0.972 3.405 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.179 -0.471 2.922 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.444 -2.458 2.880 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.210 1.552 1.456 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.171 -2.954 1.201 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -24.943 1.060 -0.215 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.923 -1.194 -0.346 1.00 0.29 H new ATOM 505 N LYS A 34 -20.969 0.151 6.454 1.00 0.16 N ATOM 506 CA LYS A 34 -19.775 0.211 7.276 1.00 0.20 C ATOM 507 C LYS A 34 -19.711 -1.028 8.153 1.00 0.20 C ATOM 508 O LYS A 34 -18.662 -1.644 8.298 1.00 0.22 O ATOM 509 CB LYS A 34 -19.776 1.478 8.142 1.00 0.29 C ATOM 510 CG LYS A 34 -19.748 2.748 7.360 1.00 0.43 C ATOM 511 CD LYS A 34 -18.645 3.618 7.892 1.00 0.38 C ATOM 512 CE LYS A 34 -17.283 3.032 7.537 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.162 3.913 7.938 1.00 1.09 N ATOM 0 H LYS A 34 -21.692 0.825 6.705 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.897 0.246 6.630 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.664 1.472 8.775 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.912 1.453 8.805 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -19.586 2.537 6.303 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -20.706 3.262 7.440 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.734 4.622 7.478 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.737 3.710 8.974 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -17.171 2.063 8.023 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -17.236 2.857 6.462 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.260 3.468 7.674 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.251 4.830 7.455 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.187 4.060 8.967 1.00 1.09 H new ATOM 527 N GLN A 35 -20.871 -1.422 8.665 1.00 0.21 N ATOM 528 CA GLN A 35 -20.991 -2.624 9.473 1.00 0.24 C ATOM 529 C GLN A 35 -20.773 -3.823 8.578 1.00 0.21 C ATOM 530 O GLN A 35 -20.087 -4.781 8.932 1.00 0.24 O ATOM 531 CB GLN A 35 -22.392 -2.694 10.086 1.00 0.32 C ATOM 532 CG GLN A 35 -22.455 -3.358 11.465 1.00 0.43 C ATOM 533 CD GLN A 35 -21.582 -2.683 12.518 1.00 1.28 C ATOM 534 OE1 GLN A 35 -20.542 -2.102 12.220 1.00 2.20 O ATOM 535 NE2 GLN A 35 -22.003 -2.763 13.767 1.00 1.82 N ATOM 0 H GLN A 35 -21.748 -0.919 8.532 1.00 0.21 H new ATOM 0 HA GLN A 35 -20.253 -2.612 10.275 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.789 -1.682 10.167 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -23.045 -3.240 9.405 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.489 -3.358 11.810 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.151 -4.400 11.369 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -22.871 -3.253 13.982 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -21.460 -2.335 14.517 1.00 1.82 H new ATOM 544 N TYR A 36 -21.365 -3.726 7.401 1.00 0.19 N ATOM 545 CA TYR A 36 -21.248 -4.753 6.373 1.00 0.18 C ATOM 546 C TYR A 36 -19.788 -4.986 5.987 1.00 0.17 C ATOM 547 O TYR A 36 -19.299 -6.108 6.071 1.00 0.19 O ATOM 548 CB TYR A 36 -22.069 -4.351 5.147 1.00 0.19 C ATOM 549 CG TYR A 36 -21.845 -5.232 3.941 1.00 0.21 C ATOM 550 CD1 TYR A 36 -20.991 -4.852 2.915 1.00 1.21 C ATOM 551 CD2 TYR A 36 -22.496 -6.447 3.836 1.00 1.11 C ATOM 552 CE1 TYR A 36 -20.799 -5.663 1.814 1.00 1.24 C ATOM 553 CE2 TYR A 36 -22.310 -7.266 2.746 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.407 -6.830 1.714 1.00 0.34 C ATOM 555 OH TYR A 36 -21.273 -7.679 0.639 1.00 0.42 O ATOM 0 H TYR A 36 -21.943 -2.931 7.127 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.637 -5.689 6.774 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.127 -4.373 5.408 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -21.827 -3.322 4.882 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -20.469 -3.909 2.979 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -23.164 -6.760 4.625 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -20.141 -5.337 1.022 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -22.828 -8.211 2.667 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.815 -8.482 0.787 1.00 0.42 H new ATOM 565 N ALA A 37 -19.083 -3.926 5.606 1.00 0.15 N ATOM 566 CA ALA A 37 -17.679 -4.041 5.221 1.00 0.16 C ATOM 567 C ALA A 37 -16.825 -4.418 6.436 1.00 0.18 C ATOM 568 O ALA A 37 -15.763 -5.022 6.305 1.00 0.22 O ATOM 569 CB ALA A 37 -17.187 -2.741 4.594 1.00 0.17 C ATOM 0 H ALA A 37 -19.459 -2.979 5.555 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.585 -4.832 4.476 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.139 -2.846 4.314 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.779 -2.518 3.707 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.291 -1.928 5.313 1.00 0.17 H new ATOM 575 N ASN A 38 -17.320 -4.071 7.622 1.00 0.20 N ATOM 576 CA ASN A 38 -16.637 -4.399 8.880 1.00 0.26 C ATOM 577 C ASN A 38 -16.734 -5.899 9.142 1.00 0.28 C ATOM 578 O ASN A 38 -15.829 -6.507 9.711 1.00 0.36 O ATOM 579 CB ASN A 38 -17.259 -3.620 10.057 1.00 0.31 C ATOM 580 CG ASN A 38 -16.509 -3.820 11.373 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.578 -3.079 11.685 1.00 1.03 O ATOM 582 ND2 ASN A 38 -16.925 -4.804 12.166 1.00 1.39 N ATOM 0 H ASN A 38 -18.195 -3.561 7.743 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.589 -4.113 8.792 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.275 -2.558 9.813 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.295 -3.934 10.185 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.469 -4.963 13.064 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -17.700 -5.400 11.876 1.00 1.39 H new ATOM 589 N ASP A 39 -17.837 -6.486 8.684 1.00 0.30 N ATOM 590 CA ASP A 39 -18.103 -7.915 8.839 1.00 0.38 C ATOM 591 C ASP A 39 -17.083 -8.747 8.068 1.00 0.33 C ATOM 592 O ASP A 39 -16.623 -9.780 8.548 1.00 0.41 O ATOM 593 CB ASP A 39 -19.521 -8.232 8.349 1.00 0.53 C ATOM 594 CG ASP A 39 -19.897 -9.695 8.505 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.534 -10.509 7.626 1.00 1.78 O ATOM 596 OD2 ASP A 39 -20.582 -10.034 9.494 1.00 1.77 O ATOM 0 H ASP A 39 -18.575 -5.982 8.193 1.00 0.30 H new ATOM 0 HA ASP A 39 -18.019 -8.171 9.895 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.234 -7.620 8.901 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.606 -7.952 7.299 1.00 0.53 H new ATOM 601 N ASN A 40 -16.706 -8.275 6.884 1.00 0.28 N ATOM 602 CA ASN A 40 -15.731 -8.984 6.063 1.00 0.34 C ATOM 603 C ASN A 40 -14.317 -8.455 6.306 1.00 0.32 C ATOM 604 O ASN A 40 -13.333 -9.105 5.954 1.00 0.46 O ATOM 605 CB ASN A 40 -16.094 -8.921 4.570 1.00 0.42 C ATOM 606 CG ASN A 40 -16.734 -7.608 4.145 1.00 0.92 C ATOM 607 OD1 ASN A 40 -16.049 -6.634 3.864 1.00 1.78 O ATOM 608 ND2 ASN A 40 -18.061 -7.580 4.077 1.00 0.78 N ATOM 0 H ASN A 40 -17.058 -7.410 6.474 1.00 0.28 H new ATOM 0 HA ASN A 40 -15.755 -10.032 6.362 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -15.192 -9.082 3.980 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.777 -9.738 4.338 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -18.539 -6.728 3.783 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -18.602 -8.411 4.319 1.00 0.78 H new ATOM 615 N GLY A 41 -14.217 -7.277 6.914 1.00 0.25 N ATOM 616 CA GLY A 41 -12.917 -6.732 7.262 1.00 0.33 C ATOM 617 C GLY A 41 -12.258 -5.975 6.129 1.00 0.28 C ATOM 618 O GLY A 41 -11.033 -5.991 6.002 1.00 0.37 O ATOM 0 H GLY A 41 -15.011 -6.691 7.172 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -13.028 -6.066 8.118 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.262 -7.546 7.574 1.00 0.33 H new ATOM 622 N VAL A 42 -13.056 -5.311 5.307 1.00 0.23 N ATOM 623 CA VAL A 42 -12.525 -4.539 4.206 1.00 0.26 C ATOM 624 C VAL A 42 -12.411 -3.073 4.596 1.00 0.36 C ATOM 625 O VAL A 42 -13.404 -2.417 4.910 1.00 0.46 O ATOM 626 CB VAL A 42 -13.383 -4.683 2.935 1.00 0.28 C ATOM 627 CG1 VAL A 42 -12.846 -3.786 1.834 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.398 -6.133 2.485 1.00 0.29 C ATOM 0 H VAL A 42 -14.073 -5.294 5.386 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.533 -4.932 3.981 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.405 -4.376 3.158 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.461 -3.897 0.941 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.872 -2.748 2.165 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -11.819 -4.068 1.604 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.006 -6.229 1.586 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.380 -6.458 2.271 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -13.818 -6.755 3.275 1.00 0.29 H new ATOM 638 N ASP A 43 -11.183 -2.594 4.637 1.00 0.42 N ATOM 639 CA ASP A 43 -10.907 -1.199 4.986 1.00 0.55 C ATOM 640 C ASP A 43 -10.049 -0.561 3.895 1.00 0.47 C ATOM 641 O ASP A 43 -9.087 -1.172 3.420 1.00 0.68 O ATOM 642 CB ASP A 43 -10.199 -1.085 6.354 1.00 0.80 C ATOM 643 CG ASP A 43 -9.917 0.353 6.746 1.00 1.29 C ATOM 644 OD1 ASP A 43 -10.863 1.069 7.147 1.00 1.86 O ATOM 645 OD2 ASP A 43 -8.742 0.771 6.681 1.00 1.80 O ATOM 0 H ASP A 43 -10.351 -3.148 4.433 1.00 0.42 H new ATOM 0 HA ASP A 43 -11.858 -0.672 5.062 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -10.819 -1.552 7.120 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -9.261 -1.639 6.321 1.00 0.80 H new ATOM 650 N GLY A 44 -10.424 0.637 3.466 1.00 0.43 N ATOM 651 CA GLY A 44 -9.710 1.313 2.409 1.00 0.37 C ATOM 652 C GLY A 44 -10.359 2.633 2.083 1.00 0.34 C ATOM 653 O GLY A 44 -11.210 3.103 2.839 1.00 0.38 O ATOM 0 H GLY A 44 -11.220 1.155 3.839 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -8.675 1.476 2.710 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -9.688 0.684 1.519 1.00 0.37 H new ATOM 657 N GLU A 45 -9.917 3.271 1.008 1.00 0.34 N ATOM 658 CA GLU A 45 -10.516 4.529 0.580 1.00 0.35 C ATOM 659 C GLU A 45 -12.006 4.346 0.298 1.00 0.29 C ATOM 660 O GLU A 45 -12.415 3.407 -0.394 1.00 0.43 O ATOM 661 CB GLU A 45 -9.828 5.082 -0.674 1.00 0.45 C ATOM 662 CG GLU A 45 -8.449 5.673 -0.428 1.00 1.27 C ATOM 663 CD GLU A 45 -7.392 4.630 -0.123 1.00 2.01 C ATOM 664 OE1 GLU A 45 -7.016 3.874 -1.045 1.00 2.79 O ATOM 665 OE2 GLU A 45 -6.950 4.551 1.043 1.00 2.57 O ATOM 0 H GLU A 45 -9.152 2.942 0.420 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.383 5.243 1.393 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.740 4.281 -1.408 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.465 5.849 -1.114 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.144 6.242 -1.306 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -8.506 6.376 0.403 1.00 1.27 H new ATOM 672 N TRP A 46 -12.808 5.265 0.812 1.00 0.22 N ATOM 673 CA TRP A 46 -14.254 5.219 0.601 1.00 0.24 C ATOM 674 C TRP A 46 -14.658 6.241 -0.455 1.00 0.28 C ATOM 675 O TRP A 46 -14.697 7.443 -0.188 1.00 0.41 O ATOM 676 CB TRP A 46 -15.039 5.461 1.910 1.00 0.31 C ATOM 677 CG TRP A 46 -15.352 4.197 2.668 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.442 3.385 3.286 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.648 3.598 2.903 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.077 2.322 3.876 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.426 2.430 3.664 1.00 0.31 C ATOM 682 CE3 TRP A 46 -17.977 3.927 2.559 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.463 1.592 4.072 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.001 3.089 2.969 1.00 0.32 C ATOM 685 CH2 TRP A 46 -18.739 1.940 3.722 1.00 0.35 C ATOM 0 H TRP A 46 -12.488 6.051 1.377 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.506 4.217 0.253 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.462 6.126 2.552 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -15.971 5.974 1.675 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.376 3.556 3.307 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -14.618 1.571 4.391 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.192 4.817 1.986 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.266 0.698 4.645 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.020 3.327 2.702 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.562 1.314 4.034 1.00 0.35 H new ATOM 696 N THR A 47 -14.914 5.764 -1.662 1.00 0.29 N ATOM 697 CA THR A 47 -15.271 6.635 -2.764 1.00 0.35 C ATOM 698 C THR A 47 -16.786 6.686 -2.958 1.00 0.31 C ATOM 699 O THR A 47 -17.508 5.770 -2.554 1.00 0.28 O ATOM 700 CB THR A 47 -14.580 6.181 -4.065 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.642 4.757 -4.176 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.127 6.623 -4.084 1.00 0.63 C ATOM 0 H THR A 47 -14.880 4.773 -1.902 1.00 0.29 H new ATOM 0 HA THR A 47 -14.925 7.639 -2.519 1.00 0.35 H new ATOM 0 HB THR A 47 -15.099 6.639 -4.907 1.00 0.43 H new ATOM 0 HG1 THR A 47 -14.319 4.483 -5.060 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.658 6.292 -5.011 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.076 7.710 -4.020 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.602 6.184 -3.235 1.00 0.63 H new ATOM 710 N TYR A 48 -17.252 7.764 -3.574 1.00 0.38 N ATOM 711 CA TYR A 48 -18.673 7.972 -3.823 1.00 0.37 C ATOM 712 C TYR A 48 -18.831 8.820 -5.071 1.00 0.42 C ATOM 713 O TYR A 48 -17.969 9.645 -5.366 1.00 0.51 O ATOM 714 CB TYR A 48 -19.351 8.644 -2.602 1.00 0.41 C ATOM 715 CG TYR A 48 -20.708 9.279 -2.882 1.00 0.44 C ATOM 716 CD1 TYR A 48 -20.805 10.610 -3.266 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.894 8.539 -2.787 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.030 11.185 -3.550 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.117 9.113 -3.064 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.199 10.445 -3.342 1.00 0.61 C ATOM 721 OH TYR A 48 -24.402 11.006 -3.741 1.00 0.70 O ATOM 0 H TYR A 48 -16.657 8.519 -3.915 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.163 7.011 -3.977 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.472 7.897 -1.817 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -18.682 9.411 -2.212 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -19.908 11.206 -3.344 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.850 7.501 -2.492 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -22.084 12.195 -3.929 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -24.011 8.507 -3.061 1.00 1.18 H new ATOM 0 HH TYR A 48 -24.231 11.853 -4.202 1.00 0.70 H new ATOM 731 N ASP A 49 -19.899 8.603 -5.819 1.00 0.42 N ATOM 732 CA ASP A 49 -20.115 9.378 -7.038 1.00 0.51 C ATOM 733 C ASP A 49 -21.462 10.087 -6.934 1.00 0.53 C ATOM 734 O ASP A 49 -22.387 9.586 -6.293 1.00 0.55 O ATOM 735 CB ASP A 49 -20.058 8.489 -8.304 1.00 0.57 C ATOM 736 CG ASP A 49 -21.368 7.813 -8.604 1.00 1.22 C ATOM 737 OD1 ASP A 49 -21.790 6.965 -7.794 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.973 8.104 -9.643 1.00 1.52 O ATOM 0 H ASP A 49 -20.620 7.911 -5.613 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.315 10.112 -7.135 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -19.766 9.100 -9.158 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -19.285 7.731 -8.175 1.00 0.57 H new ATOM 743 N ASP A 50 -21.583 11.236 -7.573 1.00 0.68 N ATOM 744 CA ASP A 50 -22.797 12.050 -7.447 1.00 0.76 C ATOM 745 C ASP A 50 -23.853 11.639 -8.474 1.00 0.73 C ATOM 746 O ASP A 50 -25.036 11.939 -8.310 1.00 0.84 O ATOM 747 CB ASP A 50 -22.437 13.544 -7.605 1.00 1.00 C ATOM 748 CG ASP A 50 -23.633 14.475 -7.499 1.00 1.56 C ATOM 749 OD1 ASP A 50 -23.920 14.969 -6.386 1.00 2.28 O ATOM 750 OD2 ASP A 50 -24.311 14.704 -8.527 1.00 2.15 O ATOM 0 H ASP A 50 -20.867 11.632 -8.182 1.00 0.68 H new ATOM 0 HA ASP A 50 -23.223 11.885 -6.457 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -21.708 13.816 -6.842 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -21.957 13.693 -8.572 1.00 1.00 H new ATOM 755 N ALA A 51 -23.453 10.863 -9.473 1.00 0.70 N ATOM 756 CA ALA A 51 -24.374 10.481 -10.534 1.00 0.78 C ATOM 757 C ALA A 51 -25.214 9.257 -10.166 1.00 0.75 C ATOM 758 O ALA A 51 -26.428 9.260 -10.363 1.00 0.91 O ATOM 759 CB ALA A 51 -23.620 10.262 -11.844 1.00 0.91 C ATOM 0 H ALA A 51 -22.509 10.490 -9.570 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.073 11.306 -10.669 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.324 9.977 -12.626 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.113 11.183 -12.130 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.884 9.469 -11.712 1.00 0.91 H new ATOM 765 N THR A 52 -24.593 8.227 -9.601 1.00 0.63 N ATOM 766 CA THR A 52 -25.311 6.996 -9.302 1.00 0.65 C ATOM 767 C THR A 52 -25.383 6.672 -7.805 1.00 0.55 C ATOM 768 O THR A 52 -26.039 5.697 -7.424 1.00 0.62 O ATOM 769 CB THR A 52 -24.680 5.807 -10.059 1.00 0.74 C ATOM 770 OG1 THR A 52 -23.251 5.819 -9.921 1.00 1.06 O ATOM 771 CG2 THR A 52 -25.036 5.855 -11.537 1.00 1.19 C ATOM 0 H THR A 52 -23.606 8.220 -9.344 1.00 0.63 H new ATOM 0 HA THR A 52 -26.335 7.159 -9.638 1.00 0.65 H new ATOM 0 HB THR A 52 -25.079 4.891 -9.623 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.902 6.689 -10.208 1.00 1.06 H new ATOM 0 HG21 THR A 52 -24.580 5.007 -12.049 1.00 1.19 H new ATOM 0 HG22 THR A 52 -26.119 5.809 -11.652 1.00 1.19 H new ATOM 0 HG23 THR A 52 -24.664 6.783 -11.971 1.00 1.19 H new ATOM 779 N LYS A 53 -24.756 7.505 -6.964 1.00 0.47 N ATOM 780 CA LYS A 53 -24.738 7.276 -5.503 1.00 0.46 C ATOM 781 C LYS A 53 -24.108 5.926 -5.193 1.00 0.39 C ATOM 782 O LYS A 53 -24.554 5.186 -4.313 1.00 0.49 O ATOM 783 CB LYS A 53 -26.147 7.367 -4.896 1.00 0.59 C ATOM 784 CG LYS A 53 -26.658 8.795 -4.745 1.00 0.81 C ATOM 785 CD LYS A 53 -26.806 9.500 -6.085 1.00 0.87 C ATOM 786 CE LYS A 53 -26.887 11.008 -5.919 1.00 1.57 C ATOM 787 NZ LYS A 53 -28.071 11.425 -5.135 1.00 2.08 N ATOM 0 H LYS A 53 -24.255 8.342 -7.263 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.136 8.063 -5.048 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -26.840 6.807 -5.524 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.143 6.886 -3.918 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -27.622 8.782 -4.236 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -25.971 9.359 -4.114 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -25.959 9.249 -6.724 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -27.703 9.140 -6.589 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -25.983 11.366 -5.426 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -26.921 11.478 -6.902 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -28.111 12.463 -5.092 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -28.934 11.064 -5.590 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -28.002 11.041 -4.171 1.00 2.08 H new ATOM 801 N THR A 54 -23.037 5.643 -5.902 1.00 0.34 N ATOM 802 CA THR A 54 -22.321 4.401 -5.745 1.00 0.31 C ATOM 803 C THR A 54 -21.176 4.567 -4.740 1.00 0.28 C ATOM 804 O THR A 54 -20.340 5.460 -4.879 1.00 0.35 O ATOM 805 CB THR A 54 -21.769 3.922 -7.112 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.832 3.927 -8.072 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.212 2.500 -7.030 1.00 0.41 C ATOM 0 H THR A 54 -22.640 6.269 -6.603 1.00 0.34 H new ATOM 0 HA THR A 54 -23.012 3.649 -5.364 1.00 0.31 H new ATOM 0 HB THR A 54 -20.965 4.598 -7.403 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.651 4.604 -8.757 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.835 2.200 -8.008 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.401 2.468 -6.303 1.00 0.41 H new ATOM 0 HG23 THR A 54 -22.003 1.817 -6.721 1.00 0.41 H new ATOM 815 N TYR A 55 -21.176 3.734 -3.705 1.00 0.21 N ATOM 816 CA TYR A 55 -20.127 3.760 -2.691 1.00 0.21 C ATOM 817 C TYR A 55 -19.138 2.635 -2.975 1.00 0.21 C ATOM 818 O TYR A 55 -19.541 1.496 -3.208 1.00 0.24 O ATOM 819 CB TYR A 55 -20.697 3.600 -1.264 1.00 0.24 C ATOM 820 CG TYR A 55 -21.317 4.848 -0.673 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.587 5.282 -1.045 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.629 5.587 0.281 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.147 6.412 -0.482 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.182 6.719 0.847 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.439 7.128 0.460 1.00 0.56 C ATOM 826 OH TYR A 55 -22.998 8.248 1.026 1.00 0.70 O ATOM 0 H TYR A 55 -21.895 3.028 -3.545 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.631 4.730 -2.739 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.449 2.811 -1.277 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.896 3.265 -0.605 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.143 4.726 -1.786 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.643 5.270 0.586 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.135 6.733 -0.778 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.632 7.280 1.588 1.00 1.12 H new ATOM 0 HH TYR A 55 -22.371 8.636 1.671 1.00 0.70 H new ATOM 836 N THR A 56 -17.858 2.952 -3.006 1.00 0.24 N ATOM 837 CA THR A 56 -16.843 1.953 -3.305 1.00 0.29 C ATOM 838 C THR A 56 -15.733 1.956 -2.261 1.00 0.25 C ATOM 839 O THR A 56 -15.213 3.012 -1.893 1.00 0.28 O ATOM 840 CB THR A 56 -16.244 2.182 -4.712 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.281 2.061 -5.691 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.118 1.187 -5.019 1.00 0.74 C ATOM 0 H THR A 56 -17.494 3.888 -2.829 1.00 0.24 H new ATOM 0 HA THR A 56 -17.330 0.978 -3.282 1.00 0.29 H new ATOM 0 HB THR A 56 -15.815 3.184 -4.741 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.906 2.207 -6.585 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.723 1.381 -6.016 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.321 1.302 -4.285 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.509 0.170 -4.975 1.00 0.74 H new ATOM 850 N VAL A 57 -15.391 0.772 -1.768 1.00 0.24 N ATOM 851 CA VAL A 57 -14.300 0.636 -0.811 1.00 0.23 C ATOM 852 C VAL A 57 -13.181 -0.181 -1.455 1.00 0.24 C ATOM 853 O VAL A 57 -13.393 -1.306 -1.909 1.00 0.30 O ATOM 854 CB VAL A 57 -14.749 0.016 0.552 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.246 -1.421 0.411 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.607 0.078 1.559 1.00 0.27 C ATOM 0 H VAL A 57 -15.851 -0.105 -2.014 1.00 0.24 H new ATOM 0 HA VAL A 57 -13.939 1.635 -0.565 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.589 0.611 0.910 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.544 -1.800 1.388 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.101 -1.446 -0.264 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.448 -2.044 0.008 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -13.932 -0.357 2.504 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -12.754 -0.482 1.176 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.318 1.117 1.718 1.00 0.27 H new ATOM 866 N THR A 58 -12.030 0.449 -1.623 1.00 0.26 N ATOM 867 CA THR A 58 -10.914 -0.176 -2.306 1.00 0.30 C ATOM 868 C THR A 58 -9.777 -0.485 -1.344 1.00 0.32 C ATOM 869 O THR A 58 -9.406 0.352 -0.522 1.00 0.36 O ATOM 870 CB THR A 58 -10.397 0.740 -3.431 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.511 1.230 -4.192 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.447 -0.012 -4.351 1.00 0.52 C ATOM 0 H THR A 58 -11.846 1.397 -1.294 1.00 0.26 H new ATOM 0 HA THR A 58 -11.271 -1.114 -2.731 1.00 0.30 H new ATOM 0 HB THR A 58 -9.855 1.572 -2.981 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.186 1.815 -4.908 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.096 0.657 -5.137 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.595 -0.375 -3.776 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.968 -0.857 -4.800 1.00 0.52 H new ATOM 880 N GLU A 59 -9.235 -1.692 -1.446 1.00 0.35 N ATOM 881 CA GLU A 59 -8.122 -2.096 -0.603 1.00 0.42 C ATOM 882 C GLU A 59 -6.801 -1.769 -1.301 1.00 0.53 C ATOM 883 O GLU A 59 -6.732 -1.758 -2.532 1.00 0.75 O ATOM 884 CB GLU A 59 -8.168 -3.598 -0.275 1.00 0.44 C ATOM 885 CG GLU A 59 -9.473 -4.090 0.343 1.00 0.78 C ATOM 886 CD GLU A 59 -9.260 -5.289 1.239 1.00 1.79 C ATOM 887 OE1 GLU A 59 -8.750 -6.322 0.755 1.00 2.34 O ATOM 888 OE2 GLU A 59 -9.586 -5.192 2.437 1.00 2.56 O ATOM 0 H GLU A 59 -9.549 -2.406 -2.104 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.199 -1.544 0.334 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -7.985 -4.159 -1.191 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -7.351 -3.829 0.409 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -9.928 -3.284 0.919 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -10.174 -4.350 -0.450 1.00 0.78 H new ATOM 895 N GLY A 60 -5.750 -1.554 -0.517 1.00 0.79 N ATOM 896 CA GLY A 60 -4.466 -1.191 -1.079 1.00 0.91 C ATOM 897 C GLY A 60 -4.292 0.309 -1.131 1.00 1.48 C ATOM 898 O GLY A 60 -4.890 0.987 -1.969 1.00 2.32 O ATOM 0 H GLY A 60 -5.767 -1.625 0.500 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -3.668 -1.631 -0.481 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -4.377 -1.604 -2.084 1.00 0.91 H new ATOM 902 N SER A 61 -3.448 0.826 -0.260 1.00 1.79 N ATOM 903 CA SER A 61 -3.217 2.257 -0.181 1.00 2.75 C ATOM 904 C SER A 61 -1.715 2.541 -0.095 1.00 2.84 C ATOM 905 O SER A 61 -1.197 3.411 -0.794 1.00 3.18 O ATOM 906 CB SER A 61 -3.954 2.834 1.041 1.00 3.69 C ATOM 907 OG SER A 61 -4.252 4.212 0.879 1.00 4.41 O ATOM 0 H SER A 61 -2.908 0.274 0.407 1.00 1.79 H new ATOM 0 HA SER A 61 -3.604 2.737 -1.079 1.00 2.75 H new ATOM 0 HB2 SER A 61 -4.878 2.279 1.202 1.00 3.69 H new ATOM 0 HB3 SER A 61 -3.341 2.698 1.932 1.00 3.69 H new ATOM 0 HG SER A 61 -5.206 4.362 1.045 1.00 4.41 H new ATOM 913 N GLY A 62 -1.007 1.758 0.715 1.00 3.15 N ATOM 914 CA GLY A 62 0.422 1.958 0.864 1.00 3.63 C ATOM 915 C GLY A 62 0.906 1.689 2.278 1.00 4.11 C ATOM 916 O GLY A 62 0.749 2.536 3.158 1.00 4.49 O ATOM 0 H GLY A 62 -1.395 0.993 1.267 1.00 3.15 H new ATOM 0 HA2 GLY A 62 0.951 1.302 0.172 1.00 3.63 H new ATOM 0 HA3 GLY A 62 0.672 2.982 0.587 1.00 3.63 H new ATOM 920 N GLY A 63 1.465 0.509 2.509 1.00 4.57 N ATOM 921 CA GLY A 63 1.963 0.174 3.826 1.00 5.36 C ATOM 922 C GLY A 63 3.470 0.263 3.898 1.00 5.56 C ATOM 923 O GLY A 63 4.114 -0.471 4.652 1.00 6.24 O ATOM 0 H GLY A 63 1.582 -0.222 1.807 1.00 4.57 H new ATOM 0 HA2 GLY A 63 1.524 0.847 4.562 1.00 5.36 H new ATOM 0 HA3 GLY A 63 1.646 -0.835 4.088 1.00 5.36 H new ATOM 927 N ALA A 64 4.035 1.150 3.095 1.00 5.28 N ATOM 928 CA ALA A 64 5.476 1.325 3.035 1.00 5.82 C ATOM 929 C ALA A 64 5.917 2.504 3.895 1.00 6.16 C ATOM 930 O ALA A 64 5.186 3.486 4.039 1.00 6.23 O ATOM 931 CB ALA A 64 5.920 1.524 1.592 1.00 6.29 C ATOM 0 H ALA A 64 3.512 1.764 2.471 1.00 5.28 H new ATOM 0 HA ALA A 64 5.948 0.425 3.428 1.00 5.82 H new ATOM 0 HB1 ALA A 64 7.002 1.654 1.559 1.00 6.29 H new ATOM 0 HB2 ALA A 64 5.641 0.651 1.002 1.00 6.29 H new ATOM 0 HB3 ALA A 64 5.435 2.410 1.181 1.00 6.29 H new ATOM 937 N GLY A 65 7.108 2.402 4.468 1.00 6.75 N ATOM 938 CA GLY A 65 7.620 3.467 5.309 1.00 7.43 C ATOM 939 C GLY A 65 7.412 3.172 6.777 1.00 8.04 C ATOM 940 O GLY A 65 7.308 4.084 7.598 1.00 8.41 O ATOM 0 H GLY A 65 7.730 1.600 4.366 1.00 6.75 H new ATOM 0 HA2 GLY A 65 8.683 3.606 5.113 1.00 7.43 H new ATOM 0 HA3 GLY A 65 7.124 4.403 5.052 1.00 7.43 H new ATOM 944 N GLY A 66 7.387 1.889 7.111 1.00 8.36 N ATOM 945 CA GLY A 66 7.182 1.478 8.485 1.00 9.12 C ATOM 946 C GLY A 66 8.439 1.589 9.327 1.00 9.70 C ATOM 947 O GLY A 66 8.425 1.271 10.515 1.00 10.44 O ATOM 0 H GLY A 66 7.506 1.121 6.450 1.00 8.36 H new ATOM 0 HA2 GLY A 66 6.398 2.091 8.929 1.00 9.12 H new ATOM 0 HA3 GLY A 66 6.829 0.447 8.502 1.00 9.12 H new ATOM 951 N GLN A 67 9.525 2.046 8.719 1.00 9.54 N ATOM 952 CA GLN A 67 10.781 2.212 9.429 1.00 10.26 C ATOM 953 C GLN A 67 10.924 3.662 9.887 1.00 10.54 C ATOM 954 O GLN A 67 10.825 3.967 11.077 1.00 10.70 O ATOM 955 CB GLN A 67 11.957 1.827 8.526 1.00 10.71 C ATOM 956 CG GLN A 67 13.260 1.632 9.279 1.00 11.09 C ATOM 957 CD GLN A 67 13.363 0.270 9.935 1.00 11.64 C ATOM 958 OE1 GLN A 67 12.359 -0.334 10.323 1.00 11.68 O ATOM 959 NE2 GLN A 67 14.582 -0.226 10.054 1.00 12.25 N ATOM 0 H GLN A 67 9.559 2.308 7.734 1.00 9.54 H new ATOM 0 HA GLN A 67 10.785 1.558 10.301 1.00 10.26 H new ATOM 0 HB2 GLN A 67 11.712 0.907 7.996 1.00 10.71 H new ATOM 0 HB3 GLN A 67 12.095 2.602 7.772 1.00 10.71 H new ATOM 0 HG2 GLN A 67 14.095 1.762 8.590 1.00 11.09 H new ATOM 0 HG3 GLN A 67 13.352 2.405 10.042 1.00 11.09 H new ATOM 0 HE21 GLN A 67 15.385 0.307 9.720 1.00 12.25 H new ATOM 0 HE22 GLN A 67 14.720 -1.142 10.480 1.00 12.25 H new ATOM 968 N GLY A 68 11.084 4.563 8.923 1.00 10.79 N ATOM 969 CA GLY A 68 11.204 5.974 9.231 1.00 11.26 C ATOM 970 C GLY A 68 12.606 6.366 9.652 1.00 11.69 C ATOM 971 O GLY A 68 13.403 6.825 8.833 1.00 11.72 O ATOM 0 H GLY A 68 11.133 4.338 7.929 1.00 10.79 H new ATOM 0 HA2 GLY A 68 10.915 6.558 8.357 1.00 11.26 H new ATOM 0 HA3 GLY A 68 10.506 6.228 10.029 1.00 11.26 H new ATOM 975 N MET A 69 12.912 6.163 10.923 1.00 12.22 N ATOM 976 CA MET A 69 14.221 6.517 11.458 1.00 12.82 C ATOM 977 C MET A 69 15.296 5.511 11.014 1.00 13.10 C ATOM 978 O MET A 69 15.231 4.330 11.359 1.00 13.24 O ATOM 979 CB MET A 69 14.177 6.615 12.991 1.00 13.26 C ATOM 980 CG MET A 69 13.589 5.396 13.684 1.00 13.52 C ATOM 981 SD MET A 69 13.601 5.550 15.485 1.00 14.03 S ATOM 982 CE MET A 69 15.358 5.743 15.799 1.00 14.29 C ATOM 0 H MET A 69 12.273 5.755 11.605 1.00 12.22 H new ATOM 0 HA MET A 69 14.488 7.495 11.057 1.00 12.82 H new ATOM 0 HB2 MET A 69 15.190 6.775 13.361 1.00 13.26 H new ATOM 0 HB3 MET A 69 13.594 7.492 13.270 1.00 13.26 H new ATOM 0 HG2 MET A 69 12.565 5.247 13.342 1.00 13.52 H new ATOM 0 HG3 MET A 69 14.154 4.510 13.395 1.00 13.52 H new ATOM 0 HE1 MET A 69 15.650 5.109 16.636 1.00 14.29 H new ATOM 0 HE2 MET A 69 15.920 5.453 14.911 1.00 14.29 H new ATOM 0 HE3 MET A 69 15.572 6.784 16.040 1.00 14.29 H new ATOM 992 N ILE A 70 16.279 5.982 10.238 1.00 13.36 N ATOM 993 CA ILE A 70 17.363 5.124 9.748 1.00 13.79 C ATOM 994 C ILE A 70 18.684 5.887 9.772 1.00 14.28 C ATOM 995 O ILE A 70 19.723 5.352 10.160 1.00 14.51 O ATOM 996 CB ILE A 70 17.100 4.614 8.299 1.00 13.60 C ATOM 997 CG1 ILE A 70 15.824 3.768 8.248 1.00 13.34 C ATOM 998 CG2 ILE A 70 18.293 3.799 7.774 1.00 14.13 C ATOM 999 CD1 ILE A 70 15.452 3.312 6.845 1.00 13.69 C ATOM 0 H ILE A 70 16.346 6.954 9.936 1.00 13.36 H new ATOM 0 HA ILE A 70 17.411 4.259 10.410 1.00 13.79 H new ATOM 0 HB ILE A 70 16.971 5.486 7.658 1.00 13.60 H new ATOM 0 HG12 ILE A 70 15.953 2.892 8.884 1.00 13.34 H new ATOM 0 HG13 ILE A 70 14.998 4.345 8.664 1.00 13.34 H new ATOM 0 HG21 ILE A 70 18.082 3.456 6.761 1.00 14.13 H new ATOM 0 HG22 ILE A 70 19.186 4.424 7.766 1.00 14.13 H new ATOM 0 HG23 ILE A 70 18.459 2.938 8.422 1.00 14.13 H new ATOM 0 HD11 ILE A 70 14.539 2.718 6.886 1.00 13.69 H new ATOM 0 HD12 ILE A 70 15.290 4.183 6.210 1.00 13.69 H new ATOM 0 HD13 ILE A 70 16.260 2.707 6.433 1.00 13.69 H new ATOM 1011 N GLN A 71 18.605 7.169 9.439 1.00 14.61 N ATOM 1012 CA GLN A 71 19.767 8.050 9.394 1.00 15.25 C ATOM 1013 C GLN A 71 20.050 8.625 10.776 1.00 16.12 C ATOM 1014 O GLN A 71 20.771 9.615 10.915 1.00 16.80 O ATOM 1015 CB GLN A 71 19.491 9.193 8.412 1.00 15.18 C ATOM 1016 CG GLN A 71 19.278 8.736 6.979 1.00 15.42 C ATOM 1017 CD GLN A 71 18.440 9.711 6.177 1.00 15.46 C ATOM 1018 OE1 GLN A 71 17.217 9.590 6.117 1.00 15.61 O ATOM 1019 NE2 GLN A 71 19.089 10.697 5.574 1.00 15.48 N ATOM 0 H GLN A 71 17.729 7.630 9.191 1.00 14.61 H new ATOM 0 HA GLN A 71 20.636 7.479 9.068 1.00 15.25 H new ATOM 0 HB2 GLN A 71 18.608 9.739 8.744 1.00 15.18 H new ATOM 0 HB3 GLN A 71 20.327 9.892 8.440 1.00 15.18 H new ATOM 0 HG2 GLN A 71 20.246 8.609 6.494 1.00 15.42 H new ATOM 0 HG3 GLN A 71 18.792 7.760 6.981 1.00 15.42 H new ATOM 0 HE21 GLN A 71 20.104 10.760 5.649 1.00 15.48 H new ATOM 0 HE22 GLN A 71 18.573 11.392 5.035 1.00 15.48 H new ATOM 1028 N GLU A 72 19.531 7.956 11.794 1.00 16.21 N ATOM 1029 CA GLU A 72 19.647 8.428 13.163 1.00 17.08 C ATOM 1030 C GLU A 72 21.016 8.116 13.759 1.00 17.64 C ATOM 1031 O GLU A 72 21.700 7.177 13.333 1.00 17.36 O ATOM 1032 CB GLU A 72 18.557 7.802 14.035 1.00 17.12 C ATOM 1033 CG GLU A 72 17.149 8.170 13.601 1.00 16.82 C ATOM 1034 CD GLU A 72 16.899 9.660 13.642 1.00 16.87 C ATOM 1035 OE1 GLU A 72 17.082 10.320 12.599 1.00 16.46 O ATOM 1036 OE2 GLU A 72 16.522 10.175 14.715 1.00 17.42 O ATOM 0 H GLU A 72 19.022 7.078 11.695 1.00 16.21 H new ATOM 0 HA GLU A 72 19.526 9.511 13.142 1.00 17.08 H new ATOM 0 HB2 GLU A 72 18.664 6.717 14.013 1.00 17.12 H new ATOM 0 HB3 GLU A 72 18.704 8.116 15.068 1.00 17.12 H new ATOM 0 HG2 GLU A 72 16.978 7.804 12.589 1.00 16.82 H new ATOM 0 HG3 GLU A 72 16.430 7.667 14.248 1.00 16.82 H new ATOM 1043 N PRO A 73 21.472 8.966 14.688 1.00 18.53 N ATOM 1044 CA PRO A 73 22.715 8.743 15.414 1.00 19.22 C ATOM 1045 C PRO A 73 22.528 7.753 16.558 1.00 19.49 C ATOM 1046 O PRO A 73 21.478 7.117 16.678 1.00 19.26 O ATOM 1047 CB PRO A 73 23.062 10.127 15.965 1.00 20.10 C ATOM 1048 CG PRO A 73 21.740 10.808 16.125 1.00 20.05 C ATOM 1049 CD PRO A 73 20.847 10.258 15.046 1.00 19.04 C ATOM 0 HA PRO A 73 23.492 8.319 14.779 1.00 19.22 H new ATOM 0 HB2 PRO A 73 23.589 10.055 16.916 1.00 20.10 H new ATOM 0 HB3 PRO A 73 23.711 10.675 15.282 1.00 20.10 H new ATOM 0 HG2 PRO A 73 21.321 10.615 17.112 1.00 20.05 H new ATOM 0 HG3 PRO A 73 21.845 11.889 16.029 1.00 20.05 H new ATOM 0 HD2 PRO A 73 19.826 10.122 15.403 1.00 19.04 H new ATOM 0 HD3 PRO A 73 20.798 10.929 14.188 1.00 19.04 H new ATOM 1057 N ALA A 74 23.574 7.613 17.365 1.00 20.11 N ATOM 1058 CA ALA A 74 23.575 6.722 18.519 1.00 20.56 C ATOM 1059 C ALA A 74 23.604 5.250 18.102 1.00 20.94 C ATOM 1060 O ALA A 74 23.678 4.927 16.913 1.00 20.85 O ATOM 1061 CB ALA A 74 22.387 7.008 19.431 1.00 20.34 C ATOM 0 H ALA A 74 24.451 8.118 17.236 1.00 20.11 H new ATOM 0 HA ALA A 74 24.489 6.918 19.079 1.00 20.56 H new ATOM 0 HB1 ALA A 74 22.411 6.330 20.284 1.00 20.34 H new ATOM 0 HB2 ALA A 74 22.439 8.038 19.785 1.00 20.34 H new ATOM 0 HB3 ALA A 74 21.460 6.861 18.877 1.00 20.34 H new ATOM 1067 N LEU A 75 23.658 4.370 19.090 1.00 21.47 N ATOM 1068 CA LEU A 75 23.719 2.937 18.845 1.00 21.98 C ATOM 1069 C LEU A 75 22.363 2.269 19.062 1.00 22.04 C ATOM 1070 O LEU A 75 21.693 2.539 20.064 1.00 21.90 O ATOM 1071 CB LEU A 75 24.761 2.278 19.756 1.00 22.62 C ATOM 1072 CG LEU A 75 26.221 2.482 19.352 1.00 22.85 C ATOM 1073 CD1 LEU A 75 26.423 2.076 17.900 1.00 22.94 C ATOM 1074 CD2 LEU A 75 26.661 3.924 19.590 1.00 22.46 C ATOM 0 H LEU A 75 23.661 4.626 20.077 1.00 21.47 H new ATOM 0 HA LEU A 75 24.007 2.802 17.803 1.00 21.98 H new ATOM 0 HB2 LEU A 75 24.626 2.662 20.767 1.00 22.62 H new ATOM 0 HB3 LEU A 75 24.560 1.207 19.792 1.00 22.62 H new ATOM 0 HG LEU A 75 26.846 1.845 19.977 1.00 22.85 H new ATOM 0 HD11 LEU A 75 27.466 2.225 17.622 1.00 22.94 H new ATOM 0 HD12 LEU A 75 26.161 1.025 17.776 1.00 22.94 H new ATOM 0 HD13 LEU A 75 25.786 2.686 17.260 1.00 22.94 H new ATOM 0 HD21 LEU A 75 27.704 4.040 19.294 1.00 22.46 H new ATOM 0 HD22 LEU A 75 26.039 4.596 18.999 1.00 22.46 H new ATOM 0 HD23 LEU A 75 26.555 4.167 20.647 1.00 22.46 H new ATOM 1086 N PRO A 76 21.911 1.434 18.107 1.00 22.33 N ATOM 1087 CA PRO A 76 20.685 0.639 18.272 1.00 22.55 C ATOM 1088 C PRO A 76 20.876 -0.446 19.335 1.00 23.16 C ATOM 1089 O PRO A 76 22.008 -0.835 19.630 1.00 23.54 O ATOM 1090 CB PRO A 76 20.478 -0.011 16.882 1.00 22.90 C ATOM 1091 CG PRO A 76 21.289 0.824 15.951 1.00 22.69 C ATOM 1092 CD PRO A 76 22.494 1.255 16.764 1.00 22.58 C ATOM 0 HA PRO A 76 19.838 1.243 18.596 1.00 22.55 H new ATOM 0 HB2 PRO A 76 20.811 -1.049 16.876 1.00 22.90 H new ATOM 0 HB3 PRO A 76 19.426 -0.013 16.598 1.00 22.90 H new ATOM 0 HG2 PRO A 76 21.589 0.256 15.070 1.00 22.69 H new ATOM 0 HG3 PRO A 76 20.722 1.685 15.597 1.00 22.69 H new ATOM 0 HD2 PRO A 76 23.281 0.501 16.758 1.00 22.58 H new ATOM 0 HD3 PRO A 76 22.934 2.177 16.384 1.00 22.58 H new ATOM 1100 N PRO A 77 19.777 -0.947 19.923 1.00 23.33 N ATOM 1101 CA PRO A 77 19.829 -1.999 20.951 1.00 24.01 C ATOM 1102 C PRO A 77 20.704 -3.184 20.549 1.00 24.77 C ATOM 1103 O PRO A 77 20.503 -3.809 19.504 1.00 25.03 O ATOM 1104 CB PRO A 77 18.362 -2.420 21.066 1.00 24.14 C ATOM 1105 CG PRO A 77 17.634 -1.155 20.808 1.00 23.57 C ATOM 1106 CD PRO A 77 18.390 -0.503 19.675 1.00 23.01 C ATOM 0 HA PRO A 77 20.271 -1.646 21.883 1.00 24.01 H new ATOM 0 HB2 PRO A 77 18.104 -3.190 20.339 1.00 24.14 H new ATOM 0 HB3 PRO A 77 18.134 -2.824 22.052 1.00 24.14 H new ATOM 0 HG2 PRO A 77 16.596 -1.344 20.535 1.00 23.57 H new ATOM 0 HG3 PRO A 77 17.620 -0.519 21.693 1.00 23.57 H new ATOM 0 HD2 PRO A 77 18.026 -0.832 18.702 1.00 23.01 H new ATOM 0 HD3 PRO A 77 18.301 0.583 19.699 1.00 23.01 H new ATOM 1114 N GLY A 78 21.686 -3.477 21.383 1.00 25.21 N ATOM 1115 CA GLY A 78 22.590 -4.580 21.103 1.00 26.01 C ATOM 1116 C GLY A 78 23.924 -4.153 20.505 1.00 25.92 C ATOM 1117 O GLY A 78 24.920 -4.861 20.664 1.00 26.59 O ATOM 0 H GLY A 78 21.877 -2.974 22.250 1.00 25.21 H new ATOM 0 HA2 GLY A 78 22.777 -5.127 22.027 1.00 26.01 H new ATOM 0 HA3 GLY A 78 22.101 -5.272 20.417 1.00 26.01 H new ATOM 1121 N TRP A 79 23.956 -3.013 19.814 1.00 25.19 N ATOM 1122 CA TRP A 79 25.198 -2.549 19.174 1.00 25.16 C ATOM 1123 C TRP A 79 26.046 -1.700 20.135 1.00 24.97 C ATOM 1124 O TRP A 79 25.510 -0.905 20.911 1.00 24.43 O ATOM 1125 CB TRP A 79 24.887 -1.715 17.918 1.00 24.58 C ATOM 1126 CG TRP A 79 24.334 -2.508 16.768 1.00 24.92 C ATOM 1127 CD1 TRP A 79 23.031 -2.874 16.577 1.00 24.92 C ATOM 1128 CD2 TRP A 79 25.064 -3.023 15.643 1.00 25.44 C ATOM 1129 NE1 TRP A 79 22.906 -3.577 15.405 1.00 25.41 N ATOM 1130 CE2 TRP A 79 24.134 -3.679 14.813 1.00 25.73 C ATOM 1131 CE3 TRP A 79 26.408 -2.983 15.244 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 24.502 -4.302 13.626 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 26.769 -3.603 14.064 1.00 26.34 C ATOM 1134 CH2 TRP A 79 25.820 -4.246 13.264 1.00 26.61 C ATOM 0 H TRP A 79 23.153 -2.399 19.681 1.00 25.19 H new ATOM 0 HA TRP A 79 25.762 -3.439 18.895 1.00 25.16 H new ATOM 0 HB2 TRP A 79 24.173 -0.935 18.182 1.00 24.58 H new ATOM 0 HB3 TRP A 79 25.800 -1.215 17.593 1.00 24.58 H new ATOM 0 HD1 TRP A 79 22.218 -2.644 17.250 1.00 24.92 H new ATOM 0 HE1 TRP A 79 22.037 -3.962 15.035 1.00 25.41 H new ATOM 0 HE3 TRP A 79 27.147 -2.477 15.848 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 23.774 -4.812 13.012 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 27.803 -3.591 13.754 1.00 26.34 H new ATOM 0 HH2 TRP A 79 26.134 -4.709 12.340 1.00 26.61 H new ATOM 1145 N GLU A 80 27.369 -1.883 20.096 1.00 25.51 N ATOM 1146 CA GLU A 80 28.291 -1.073 20.885 1.00 25.50 C ATOM 1147 C GLU A 80 29.266 -0.348 19.957 1.00 25.52 C ATOM 1148 O GLU A 80 29.741 -0.928 18.978 1.00 25.91 O ATOM 1149 CB GLU A 80 29.095 -1.941 21.858 1.00 26.28 C ATOM 1150 CG GLU A 80 28.303 -2.494 23.032 1.00 26.33 C ATOM 1151 CD GLU A 80 29.158 -3.362 23.937 1.00 26.69 C ATOM 1152 OE1 GLU A 80 28.616 -4.314 24.548 1.00 26.95 O ATOM 1153 OE2 GLU A 80 30.378 -3.109 24.034 1.00 26.80 O ATOM 0 H GLU A 80 27.824 -2.591 19.521 1.00 25.51 H new ATOM 0 HA GLU A 80 27.702 -0.354 21.454 1.00 25.50 H new ATOM 0 HB2 GLU A 80 29.527 -2.775 21.305 1.00 26.28 H new ATOM 0 HB3 GLU A 80 29.926 -1.352 22.245 1.00 26.28 H new ATOM 0 HG2 GLU A 80 27.887 -1.668 23.609 1.00 26.33 H new ATOM 0 HG3 GLU A 80 27.462 -3.078 22.659 1.00 26.33 H new ATOM 1160 N MET A 81 29.565 0.910 20.263 1.00 25.18 N ATOM 1161 CA MET A 81 30.533 1.676 19.479 1.00 25.27 C ATOM 1162 C MET A 81 31.746 2.018 20.340 1.00 25.77 C ATOM 1163 O MET A 81 31.607 2.683 21.364 1.00 25.60 O ATOM 1164 CB MET A 81 29.910 2.966 18.941 1.00 24.50 C ATOM 1165 CG MET A 81 30.876 3.794 18.108 1.00 24.68 C ATOM 1166 SD MET A 81 30.104 5.253 17.379 1.00 24.52 S ATOM 1167 CE MET A 81 28.830 4.501 16.368 1.00 24.27 C ATOM 0 H MET A 81 29.154 1.421 21.044 1.00 25.18 H new ATOM 0 HA MET A 81 30.843 1.062 18.633 1.00 25.27 H new ATOM 0 HB2 MET A 81 29.039 2.716 18.335 1.00 24.50 H new ATOM 0 HB3 MET A 81 29.554 3.567 19.778 1.00 24.50 H new ATOM 0 HG2 MET A 81 31.712 4.106 18.734 1.00 24.68 H new ATOM 0 HG3 MET A 81 31.288 3.172 17.313 1.00 24.68 H new ATOM 0 HE1 MET A 81 28.966 4.801 15.329 1.00 24.27 H new ATOM 0 HE2 MET A 81 28.898 3.416 16.444 1.00 24.27 H new ATOM 0 HE3 MET A 81 27.850 4.828 16.715 1.00 24.27 H new ATOM 1177 N LYS A 82 32.933 1.576 19.929 1.00 26.46 N ATOM 1178 CA LYS A 82 34.149 1.846 20.695 1.00 27.08 C ATOM 1179 C LYS A 82 35.322 2.041 19.737 1.00 27.55 C ATOM 1180 O LYS A 82 35.285 1.562 18.603 1.00 27.58 O ATOM 1181 CB LYS A 82 34.432 0.722 21.723 1.00 27.79 C ATOM 1182 CG LYS A 82 33.372 0.623 22.810 1.00 27.45 C ATOM 1183 CD LYS A 82 33.500 -0.644 23.646 1.00 28.23 C ATOM 1184 CE LYS A 82 33.333 -1.902 22.806 1.00 28.14 C ATOM 1185 NZ LYS A 82 33.101 -3.103 23.653 1.00 28.22 N ATOM 0 H LYS A 82 33.079 1.034 19.077 1.00 26.46 H new ATOM 0 HA LYS A 82 34.009 2.763 21.267 1.00 27.08 H new ATOM 0 HB2 LYS A 82 34.497 -0.232 21.200 1.00 27.79 H new ATOM 0 HB3 LYS A 82 35.403 0.898 22.186 1.00 27.79 H new ATOM 0 HG2 LYS A 82 33.446 1.493 23.463 1.00 27.45 H new ATOM 0 HG3 LYS A 82 32.384 0.652 22.351 1.00 27.45 H new ATOM 0 HD2 LYS A 82 34.475 -0.660 24.133 1.00 28.23 H new ATOM 0 HD3 LYS A 82 32.750 -0.634 24.436 1.00 28.23 H new ATOM 0 HE2 LYS A 82 32.496 -1.773 22.120 1.00 28.14 H new ATOM 0 HE3 LYS A 82 34.224 -2.053 22.196 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 33.692 -3.888 23.312 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 33.350 -2.886 24.639 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 32.099 -3.376 23.601 1.00 28.22 H new ATOM 1199 N TYR A 83 36.317 2.808 20.163 1.00 27.96 N ATOM 1200 CA TYR A 83 37.475 3.106 19.320 1.00 28.50 C ATOM 1201 C TYR A 83 38.730 2.472 19.903 1.00 29.50 C ATOM 1202 O TYR A 83 38.821 2.268 21.113 1.00 29.77 O ATOM 1203 CB TYR A 83 37.698 4.629 19.210 1.00 28.32 C ATOM 1204 CG TYR A 83 36.689 5.367 18.354 1.00 27.47 C ATOM 1205 CD1 TYR A 83 37.089 6.017 17.194 1.00 27.19 C ATOM 1206 CD2 TYR A 83 35.345 5.435 18.711 1.00 27.03 C ATOM 1207 CE1 TYR A 83 36.183 6.709 16.412 1.00 26.48 C ATOM 1208 CE2 TYR A 83 34.433 6.120 17.930 1.00 26.32 C ATOM 1209 CZ TYR A 83 34.856 6.758 16.784 1.00 26.04 C ATOM 1210 OH TYR A 83 33.951 7.445 16.010 1.00 25.39 O ATOM 0 H TYR A 83 36.348 3.237 21.088 1.00 27.96 H new ATOM 0 HA TYR A 83 37.277 2.697 18.329 1.00 28.50 H new ATOM 0 HB2 TYR A 83 37.682 5.056 20.213 1.00 28.32 H new ATOM 0 HB3 TYR A 83 38.694 4.806 18.804 1.00 28.32 H new ATOM 0 HD1 TYR A 83 38.127 5.981 16.897 1.00 27.19 H new ATOM 0 HD2 TYR A 83 35.009 4.945 19.613 1.00 27.03 H new ATOM 0 HE1 TYR A 83 36.513 7.209 15.514 1.00 26.48 H new ATOM 0 HE2 TYR A 83 33.392 6.155 18.217 1.00 26.32 H new ATOM 0 HH TYR A 83 33.060 7.379 16.413 1.00 25.39 H new ATOM 1220 N THR A 84 39.686 2.150 19.046 1.00 30.09 N ATOM 1221 CA THR A 84 40.953 1.613 19.502 1.00 31.09 C ATOM 1222 C THR A 84 41.867 2.777 19.903 1.00 31.47 C ATOM 1223 O THR A 84 41.543 3.938 19.636 1.00 30.98 O ATOM 1224 CB THR A 84 41.629 0.743 18.418 1.00 31.69 C ATOM 1225 OG1 THR A 84 42.133 1.573 17.363 1.00 31.75 O ATOM 1226 CG2 THR A 84 40.642 -0.268 17.840 1.00 31.35 C ATOM 0 H THR A 84 39.607 2.252 18.034 1.00 30.09 H new ATOM 0 HA THR A 84 40.771 0.967 20.361 1.00 31.09 H new ATOM 0 HB THR A 84 42.454 0.203 18.883 1.00 31.69 H new ATOM 0 HG1 THR A 84 42.657 1.028 16.740 1.00 31.75 H new ATOM 0 HG21 THR A 84 41.140 -0.869 17.079 1.00 31.35 H new ATOM 0 HG22 THR A 84 40.279 -0.918 18.636 1.00 31.35 H new ATOM 0 HG23 THR A 84 39.801 0.260 17.391 1.00 31.35 H new ATOM 1234 N SER A 85 43.036 2.476 20.457 1.00 32.40 N ATOM 1235 CA SER A 85 43.935 3.508 20.965 1.00 32.91 C ATOM 1236 C SER A 85 44.648 4.287 19.852 1.00 33.07 C ATOM 1237 O SER A 85 45.492 5.135 20.130 1.00 33.44 O ATOM 1238 CB SER A 85 44.943 2.878 21.903 1.00 33.91 C ATOM 1239 OG SER A 85 44.288 2.088 22.882 1.00 34.32 O ATOM 0 H SER A 85 43.385 1.524 20.566 1.00 32.40 H new ATOM 0 HA SER A 85 43.326 4.236 21.502 1.00 32.91 H new ATOM 0 HB2 SER A 85 45.639 2.260 21.336 1.00 33.91 H new ATOM 0 HB3 SER A 85 45.531 3.656 22.390 1.00 33.91 H new ATOM 0 HG SER A 85 44.954 1.687 23.478 1.00 34.32 H new ATOM 1245 N GLU A 86 44.306 4.014 18.600 1.00 32.82 N ATOM 1246 CA GLU A 86 44.928 4.719 17.477 1.00 33.03 C ATOM 1247 C GLU A 86 43.872 5.432 16.632 1.00 32.13 C ATOM 1248 O GLU A 86 44.183 6.011 15.588 1.00 32.23 O ATOM 1249 CB GLU A 86 45.744 3.727 16.623 1.00 33.61 C ATOM 1250 CG GLU A 86 44.926 2.557 16.105 1.00 34.45 C ATOM 1251 CD GLU A 86 45.785 1.448 15.538 1.00 34.93 C ATOM 1252 OE1 GLU A 86 46.023 0.455 16.249 1.00 34.87 O ATOM 1253 OE2 GLU A 86 46.220 1.568 14.372 1.00 35.43 O ATOM 0 H GLU A 86 43.610 3.318 18.333 1.00 32.82 H new ATOM 0 HA GLU A 86 45.605 5.478 17.869 1.00 33.03 H new ATOM 0 HB2 GLU A 86 46.178 4.260 15.777 1.00 33.61 H new ATOM 0 HB3 GLU A 86 46.574 3.345 17.218 1.00 33.61 H new ATOM 0 HG2 GLU A 86 44.315 2.159 16.915 1.00 34.45 H new ATOM 0 HG3 GLU A 86 44.242 2.911 15.334 1.00 34.45 H new ATOM 1260 N GLY A 87 42.626 5.406 17.096 1.00 31.30 N ATOM 1261 CA GLY A 87 41.562 6.089 16.387 1.00 30.42 C ATOM 1262 C GLY A 87 40.787 5.191 15.436 1.00 30.02 C ATOM 1263 O GLY A 87 39.963 5.674 14.658 1.00 29.44 O ATOM 0 H GLY A 87 42.336 4.925 17.948 1.00 31.30 H new ATOM 0 HA2 GLY A 87 40.871 6.518 17.113 1.00 30.42 H new ATOM 0 HA3 GLY A 87 41.988 6.919 15.823 1.00 30.42 H new ATOM 1267 N VAL A 88 41.028 3.888 15.495 1.00 30.40 N ATOM 1268 CA VAL A 88 40.309 2.952 14.636 1.00 30.17 C ATOM 1269 C VAL A 88 38.944 2.642 15.237 1.00 29.38 C ATOM 1270 O VAL A 88 38.830 2.339 16.424 1.00 29.40 O ATOM 1271 CB VAL A 88 41.100 1.644 14.404 1.00 31.05 C ATOM 1272 CG1 VAL A 88 40.281 0.640 13.609 1.00 30.89 C ATOM 1273 CG2 VAL A 88 42.403 1.934 13.687 1.00 31.86 C ATOM 0 H VAL A 88 41.708 3.457 16.121 1.00 30.40 H new ATOM 0 HA VAL A 88 40.183 3.429 13.664 1.00 30.17 H new ATOM 0 HB VAL A 88 41.320 1.210 15.379 1.00 31.05 H new ATOM 0 HG11 VAL A 88 40.864 -0.269 13.462 1.00 30.89 H new ATOM 0 HG12 VAL A 88 39.368 0.402 14.155 1.00 30.89 H new ATOM 0 HG13 VAL A 88 40.023 1.067 12.640 1.00 30.89 H new ATOM 0 HG21 VAL A 88 42.948 1.003 13.531 1.00 31.86 H new ATOM 0 HG22 VAL A 88 42.193 2.397 12.723 1.00 31.86 H new ATOM 0 HG23 VAL A 88 43.007 2.611 14.290 1.00 31.86 H new ATOM 1283 N ARG A 89 37.912 2.758 14.413 1.00 28.74 N ATOM 1284 CA ARG A 89 36.535 2.551 14.849 1.00 27.99 C ATOM 1285 C ARG A 89 36.124 1.097 14.643 1.00 28.23 C ATOM 1286 O ARG A 89 36.161 0.600 13.519 1.00 28.54 O ATOM 1287 CB ARG A 89 35.611 3.468 14.037 1.00 27.21 C ATOM 1288 CG ARG A 89 34.261 3.762 14.677 1.00 26.48 C ATOM 1289 CD ARG A 89 33.386 4.581 13.737 1.00 25.83 C ATOM 1290 NE ARG A 89 32.320 5.288 14.446 1.00 25.29 N ATOM 1291 CZ ARG A 89 31.567 6.243 13.899 1.00 24.70 C ATOM 1292 NH1 ARG A 89 31.734 6.592 12.629 1.00 24.55 N ATOM 1293 NH2 ARG A 89 30.653 6.870 14.632 1.00 24.34 N ATOM 0 H ARG A 89 38.003 2.998 13.426 1.00 28.74 H new ATOM 0 HA ARG A 89 36.456 2.787 15.910 1.00 27.99 H new ATOM 0 HB2 ARG A 89 36.126 4.413 13.863 1.00 27.21 H new ATOM 0 HB3 ARG A 89 35.441 3.013 13.061 1.00 27.21 H new ATOM 0 HG2 ARG A 89 33.760 2.827 14.926 1.00 26.48 H new ATOM 0 HG3 ARG A 89 34.406 4.304 15.611 1.00 26.48 H new ATOM 0 HD2 ARG A 89 34.005 5.302 13.204 1.00 25.83 H new ATOM 0 HD3 ARG A 89 32.946 3.923 12.988 1.00 25.83 H new ATOM 0 HE ARG A 89 32.142 5.035 15.418 1.00 25.29 H new ATOM 0 HH11 ARG A 89 32.444 6.128 12.062 1.00 24.55 H new ATOM 0 HH12 ARG A 89 31.153 7.324 12.221 1.00 24.55 H new ATOM 0 HH21 ARG A 89 30.527 6.621 15.613 1.00 24.34 H new ATOM 0 HH22 ARG A 89 30.077 7.600 14.214 1.00 24.34 H new ATOM 1307 N TYR A 90 35.737 0.415 15.714 1.00 28.18 N ATOM 1308 CA TYR A 90 35.266 -0.959 15.594 1.00 28.46 C ATOM 1309 C TYR A 90 33.906 -1.097 16.279 1.00 27.80 C ATOM 1310 O TYR A 90 33.579 -0.314 17.175 1.00 27.31 O ATOM 1311 CB TYR A 90 36.274 -1.976 16.161 1.00 29.43 C ATOM 1312 CG TYR A 90 36.459 -1.962 17.663 1.00 29.57 C ATOM 1313 CD1 TYR A 90 37.266 -1.019 18.288 1.00 29.65 C ATOM 1314 CD2 TYR A 90 35.848 -2.926 18.451 1.00 29.70 C ATOM 1315 CE1 TYR A 90 37.454 -1.036 19.659 1.00 29.86 C ATOM 1316 CE2 TYR A 90 36.025 -2.949 19.821 1.00 29.91 C ATOM 1317 CZ TYR A 90 36.831 -2.005 20.420 1.00 30.05 C ATOM 1318 OH TYR A 90 37.012 -2.032 21.787 1.00 30.27 O ATOM 0 H TYR A 90 35.739 0.785 16.664 1.00 28.18 H new ATOM 0 HA TYR A 90 35.162 -1.186 14.533 1.00 28.46 H new ATOM 0 HB2 TYR A 90 35.957 -2.976 15.863 1.00 29.43 H new ATOM 0 HB3 TYR A 90 37.242 -1.796 15.694 1.00 29.43 H new ATOM 0 HD1 TYR A 90 37.754 -0.261 17.694 1.00 29.65 H new ATOM 0 HD2 TYR A 90 35.222 -3.673 17.985 1.00 29.70 H new ATOM 0 HE1 TYR A 90 38.084 -0.296 20.131 1.00 29.86 H new ATOM 0 HE2 TYR A 90 35.534 -3.703 20.419 1.00 29.91 H new ATOM 0 HH TYR A 90 36.502 -2.776 22.170 1.00 30.27 H new ATOM 1328 N PHE A 91 33.102 -2.066 15.849 1.00 27.84 N ATOM 1329 CA PHE A 91 31.794 -2.259 16.402 1.00 27.29 C ATOM 1330 C PHE A 91 31.694 -3.613 17.100 1.00 27.91 C ATOM 1331 O PHE A 91 32.434 -4.549 16.778 1.00 28.69 O ATOM 1332 CB PHE A 91 30.767 -2.160 15.289 1.00 26.81 C ATOM 1333 CG PHE A 91 30.626 -0.776 14.696 1.00 26.08 C ATOM 1334 CD1 PHE A 91 29.853 0.189 15.332 1.00 25.34 C ATOM 1335 CD2 PHE A 91 31.261 -0.434 13.505 1.00 26.22 C ATOM 1336 CE1 PHE A 91 29.717 1.455 14.794 1.00 24.76 C ATOM 1337 CE2 PHE A 91 31.123 0.833 12.971 1.00 25.66 C ATOM 1338 CZ PHE A 91 30.382 1.768 13.593 1.00 24.89 C ATOM 0 H PHE A 91 33.350 -2.727 15.113 1.00 27.84 H new ATOM 0 HA PHE A 91 31.602 -1.486 17.147 1.00 27.29 H new ATOM 0 HB2 PHE A 91 31.039 -2.857 14.496 1.00 26.81 H new ATOM 0 HB3 PHE A 91 29.798 -2.478 15.674 1.00 26.81 H new ATOM 0 HD1 PHE A 91 29.353 -0.054 16.258 1.00 25.34 H new ATOM 0 HD2 PHE A 91 31.868 -1.166 12.993 1.00 26.22 H new ATOM 0 HE1 PHE A 91 29.107 2.196 15.289 1.00 24.76 H new ATOM 0 HE2 PHE A 91 31.617 1.076 12.042 1.00 25.66 H new ATOM 0 HZ PHE A 91 30.297 2.759 13.171 1.00 24.89 H new ATOM 1348 N VAL A 92 30.778 -3.716 18.056 1.00 27.61 N ATOM 1349 CA VAL A 92 30.617 -4.936 18.832 1.00 28.23 C ATOM 1350 C VAL A 92 29.145 -5.341 18.929 1.00 27.94 C ATOM 1351 O VAL A 92 28.293 -4.520 19.278 1.00 27.26 O ATOM 1352 CB VAL A 92 31.171 -4.751 20.267 1.00 28.37 C ATOM 1353 CG1 VAL A 92 31.136 -6.053 21.047 1.00 29.13 C ATOM 1354 CG2 VAL A 92 32.580 -4.186 20.245 1.00 28.67 C ATOM 0 H VAL A 92 30.135 -2.967 18.311 1.00 27.61 H new ATOM 0 HA VAL A 92 31.175 -5.718 18.317 1.00 28.23 H new ATOM 0 HB VAL A 92 30.523 -4.035 20.772 1.00 28.37 H new ATOM 0 HG11 VAL A 92 31.532 -5.888 22.049 1.00 29.13 H new ATOM 0 HG12 VAL A 92 30.108 -6.408 21.117 1.00 29.13 H new ATOM 0 HG13 VAL A 92 31.744 -6.800 20.536 1.00 29.13 H new ATOM 0 HG21 VAL A 92 32.941 -4.068 21.267 1.00 28.67 H new ATOM 0 HG22 VAL A 92 33.237 -4.868 19.705 1.00 28.67 H new ATOM 0 HG23 VAL A 92 32.575 -3.216 19.747 1.00 28.67 H new ATOM 1364 N ASP A 93 28.847 -6.592 18.583 1.00 28.50 N ATOM 1365 CA ASP A 93 27.491 -7.124 18.740 1.00 28.42 C ATOM 1366 C ASP A 93 27.392 -7.730 20.141 1.00 28.86 C ATOM 1367 O ASP A 93 28.012 -8.760 20.414 1.00 29.70 O ATOM 1368 CB ASP A 93 27.170 -8.207 17.689 1.00 29.01 C ATOM 1369 CG ASP A 93 26.052 -7.794 16.748 1.00 28.68 C ATOM 1370 OD1 ASP A 93 24.872 -8.019 17.093 1.00 28.33 O ATOM 1371 OD2 ASP A 93 26.344 -7.256 15.660 1.00 28.82 O ATOM 0 H ASP A 93 29.519 -7.253 18.195 1.00 28.50 H new ATOM 0 HA ASP A 93 26.773 -6.316 18.600 1.00 28.42 H new ATOM 0 HB2 ASP A 93 28.067 -8.422 17.109 1.00 29.01 H new ATOM 0 HB3 ASP A 93 26.890 -9.130 18.197 1.00 29.01 H new ATOM 1376 N HIS A 94 26.641 -7.098 21.040 1.00 28.36 N ATOM 1377 CA HIS A 94 26.618 -7.520 22.436 1.00 28.81 C ATOM 1378 C HIS A 94 25.818 -8.814 22.628 1.00 29.31 C ATOM 1379 O HIS A 94 26.084 -9.582 23.553 1.00 29.90 O ATOM 1380 CB HIS A 94 26.051 -6.385 23.310 1.00 28.18 C ATOM 1381 CG HIS A 94 26.081 -6.657 24.780 1.00 28.49 C ATOM 1382 ND1 HIS A 94 27.017 -6.099 25.619 1.00 28.32 N ATOM 1383 CD2 HIS A 94 25.278 -7.411 25.563 1.00 29.05 C ATOM 1384 CE1 HIS A 94 26.792 -6.501 26.854 1.00 28.75 C ATOM 1385 NE2 HIS A 94 25.740 -7.296 26.848 1.00 29.20 N ATOM 0 H HIS A 94 26.045 -6.298 20.828 1.00 28.36 H new ATOM 0 HA HIS A 94 27.641 -7.733 22.746 1.00 28.81 H new ATOM 0 HB2 HIS A 94 26.616 -5.474 23.111 1.00 28.18 H new ATOM 0 HB3 HIS A 94 25.021 -6.193 23.010 1.00 28.18 H new ATOM 0 HD1 HIS A 94 27.768 -5.472 25.331 1.00 28.32 H new ATOM 0 HD2 HIS A 94 24.430 -7.995 25.237 1.00 29.05 H new ATOM 0 HE1 HIS A 94 27.371 -6.226 27.723 1.00 28.75 H new ATOM 1394 N ASN A 95 24.873 -9.071 21.735 1.00 29.17 N ATOM 1395 CA ASN A 95 24.023 -10.260 21.840 1.00 29.71 C ATOM 1396 C ASN A 95 24.803 -11.538 21.510 1.00 30.73 C ATOM 1397 O ASN A 95 24.746 -12.514 22.255 1.00 31.42 O ATOM 1398 CB ASN A 95 22.790 -10.133 20.922 1.00 29.28 C ATOM 1399 CG ASN A 95 23.166 -9.837 19.484 1.00 29.19 C ATOM 1400 OD1 ASN A 95 23.361 -10.749 18.683 1.00 29.80 O ATOM 1401 ND2 ASN A 95 23.253 -8.559 19.145 1.00 28.49 N ATOM 0 H ASN A 95 24.672 -8.477 20.930 1.00 29.17 H new ATOM 0 HA ASN A 95 23.684 -10.331 22.873 1.00 29.71 H new ATOM 0 HB2 ASN A 95 22.215 -11.058 20.961 1.00 29.28 H new ATOM 0 HB3 ASN A 95 22.143 -9.340 21.296 1.00 29.28 H new ATOM 0 HD21 ASN A 95 23.490 -8.300 18.187 1.00 28.49 H new ATOM 0 HD22 ASN A 95 23.083 -7.834 19.842 1.00 28.49 H new ATOM 1408 N THR A 96 25.558 -11.524 20.424 1.00 30.87 N ATOM 1409 CA THR A 96 26.326 -12.696 20.025 1.00 31.86 C ATOM 1410 C THR A 96 27.715 -12.670 20.649 1.00 32.23 C ATOM 1411 O THR A 96 28.416 -13.683 20.668 1.00 33.14 O ATOM 1412 CB THR A 96 26.454 -12.764 18.492 1.00 31.96 C ATOM 1413 OG1 THR A 96 26.811 -11.471 17.990 1.00 31.19 O ATOM 1414 CG2 THR A 96 25.152 -13.221 17.845 1.00 32.02 C ATOM 0 H THR A 96 25.657 -10.720 19.805 1.00 30.87 H new ATOM 0 HA THR A 96 25.794 -13.579 20.379 1.00 31.86 H new ATOM 0 HB THR A 96 27.227 -13.491 18.244 1.00 31.96 H new ATOM 0 HG1 THR A 96 27.769 -11.452 17.787 1.00 31.19 H new ATOM 0 HG21 THR A 96 25.277 -13.258 16.763 1.00 32.02 H new ATOM 0 HG22 THR A 96 24.891 -14.213 18.214 1.00 32.02 H new ATOM 0 HG23 THR A 96 24.356 -12.520 18.095 1.00 32.02 H new ATOM 1422 N ARG A 97 28.073 -11.509 21.200 1.00 31.56 N ATOM 1423 CA ARG A 97 29.396 -11.290 21.789 1.00 31.87 C ATOM 1424 C ARG A 97 30.476 -11.543 20.768 1.00 32.27 C ATOM 1425 O ARG A 97 31.307 -12.445 20.900 1.00 33.03 O ATOM 1426 CB ARG A 97 29.604 -12.128 23.041 1.00 32.70 C ATOM 1427 CG ARG A 97 29.004 -11.468 24.256 1.00 32.43 C ATOM 1428 CD ARG A 97 29.217 -12.296 25.508 1.00 33.36 C ATOM 1429 NE ARG A 97 28.505 -13.569 25.427 1.00 33.97 N ATOM 1430 CZ ARG A 97 28.501 -14.486 26.388 1.00 34.73 C ATOM 1431 NH1 ARG A 97 29.223 -14.312 27.484 1.00 35.00 N ATOM 1432 NH2 ARG A 97 27.778 -15.591 26.249 1.00 35.29 N ATOM 0 H ARG A 97 27.458 -10.697 21.251 1.00 31.56 H new ATOM 0 HA ARG A 97 29.456 -10.246 22.097 1.00 31.87 H new ATOM 0 HB2 ARG A 97 29.154 -13.111 22.901 1.00 32.70 H new ATOM 0 HB3 ARG A 97 30.671 -12.286 23.201 1.00 32.70 H new ATOM 0 HG2 ARG A 97 29.449 -10.482 24.392 1.00 32.43 H new ATOM 0 HG3 ARG A 97 27.936 -11.316 24.098 1.00 32.43 H new ATOM 0 HD2 ARG A 97 30.282 -12.480 25.648 1.00 33.36 H new ATOM 0 HD3 ARG A 97 28.872 -11.738 26.379 1.00 33.36 H new ATOM 0 HE ARG A 97 27.977 -13.767 24.577 1.00 33.97 H new ATOM 0 HH11 ARG A 97 29.787 -13.469 27.595 1.00 35.00 H new ATOM 0 HH12 ARG A 97 29.215 -15.020 28.218 1.00 35.00 H new ATOM 0 HH21 ARG A 97 27.225 -15.736 25.404 1.00 35.29 H new ATOM 0 HH22 ARG A 97 27.775 -16.295 26.987 1.00 35.29 H new ATOM 1446 N THR A 98 30.431 -10.724 19.745 1.00 31.75 N ATOM 1447 CA THR A 98 31.359 -10.811 18.632 1.00 32.09 C ATOM 1448 C THR A 98 31.861 -9.419 18.241 1.00 31.35 C ATOM 1449 O THR A 98 31.190 -8.417 18.501 1.00 30.48 O ATOM 1450 CB THR A 98 30.680 -11.461 17.405 1.00 32.35 C ATOM 1451 OG1 THR A 98 29.416 -10.823 17.146 1.00 32.15 O ATOM 1452 CG2 THR A 98 30.480 -12.962 17.625 1.00 32.59 C ATOM 0 H THR A 98 29.747 -9.972 19.656 1.00 31.75 H new ATOM 0 HA THR A 98 32.201 -11.427 18.949 1.00 32.09 H new ATOM 0 HB THR A 98 31.330 -11.327 16.540 1.00 32.35 H new ATOM 0 HG1 THR A 98 29.000 -11.229 16.357 1.00 32.15 H new ATOM 0 HG21 THR A 98 30.001 -13.398 16.748 1.00 32.59 H new ATOM 0 HG22 THR A 98 31.447 -13.439 17.784 1.00 32.59 H new ATOM 0 HG23 THR A 98 29.849 -13.121 18.500 1.00 32.59 H new ATOM 1460 N THR A 99 33.040 -9.349 17.639 1.00 31.74 N ATOM 1461 CA THR A 99 33.586 -8.082 17.177 1.00 31.18 C ATOM 1462 C THR A 99 33.540 -8.046 15.646 1.00 31.15 C ATOM 1463 O THR A 99 33.827 -9.058 15.002 1.00 31.92 O ATOM 1464 CB THR A 99 35.047 -7.928 17.663 1.00 31.73 C ATOM 1465 OG1 THR A 99 35.713 -9.194 17.535 1.00 32.77 O ATOM 1466 CG2 THR A 99 35.120 -7.469 19.132 1.00 31.59 C ATOM 0 H THR A 99 33.637 -10.156 17.459 1.00 31.74 H new ATOM 0 HA THR A 99 32.994 -7.261 17.581 1.00 31.18 H new ATOM 0 HB THR A 99 35.530 -7.167 17.050 1.00 31.73 H new ATOM 0 HG1 THR A 99 36.641 -9.108 17.839 1.00 32.77 H new ATOM 0 HG21 THR A 99 36.164 -7.374 19.432 1.00 31.59 H new ATOM 0 HG22 THR A 99 34.623 -6.505 19.237 1.00 31.59 H new ATOM 0 HG23 THR A 99 34.625 -8.203 19.768 1.00 31.59 H new ATOM 1474 N THR A 100 33.146 -6.925 15.050 1.00 30.32 N ATOM 1475 CA THR A 100 33.060 -6.861 13.603 1.00 30.31 C ATOM 1476 C THR A 100 33.407 -5.471 13.080 1.00 29.79 C ATOM 1477 O THR A 100 33.038 -4.451 13.670 1.00 29.19 O ATOM 1478 CB THR A 100 31.654 -7.286 13.098 1.00 29.94 C ATOM 1479 OG1 THR A 100 31.615 -7.290 11.665 1.00 30.23 O ATOM 1480 CG2 THR A 100 30.564 -6.363 13.634 1.00 28.90 C ATOM 0 H THR A 100 32.887 -6.067 15.538 1.00 30.32 H new ATOM 0 HA THR A 100 33.794 -7.566 13.212 1.00 30.31 H new ATOM 0 HB THR A 100 31.466 -8.293 13.470 1.00 29.94 H new ATOM 0 HG1 THR A 100 30.723 -7.562 11.363 1.00 30.23 H new ATOM 0 HG21 THR A 100 29.594 -6.690 13.260 1.00 28.90 H new ATOM 0 HG22 THR A 100 30.563 -6.396 14.724 1.00 28.90 H new ATOM 0 HG23 THR A 100 30.755 -5.343 13.302 1.00 28.90 H new ATOM 1488 N PHE A 101 34.240 -5.448 12.052 1.00 30.11 N ATOM 1489 CA PHE A 101 34.586 -4.213 11.381 1.00 29.74 C ATOM 1490 C PHE A 101 33.597 -3.966 10.249 1.00 29.28 C ATOM 1491 O PHE A 101 33.668 -4.591 9.189 1.00 29.75 O ATOM 1492 CB PHE A 101 36.023 -4.259 10.847 1.00 30.55 C ATOM 1493 CG PHE A 101 37.064 -3.983 11.906 1.00 30.86 C ATOM 1494 CD1 PHE A 101 37.597 -2.713 12.069 1.00 30.67 C ATOM 1495 CD2 PHE A 101 37.504 -5.000 12.740 1.00 31.41 C ATOM 1496 CE1 PHE A 101 38.550 -2.467 13.043 1.00 31.03 C ATOM 1497 CE2 PHE A 101 38.454 -4.759 13.713 1.00 31.76 C ATOM 1498 CZ PHE A 101 38.986 -3.462 13.849 1.00 31.57 C ATOM 0 H PHE A 101 34.690 -6.278 11.665 1.00 30.11 H new ATOM 0 HA PHE A 101 34.531 -3.392 12.096 1.00 29.74 H new ATOM 0 HB2 PHE A 101 36.210 -5.240 10.411 1.00 30.55 H new ATOM 0 HB3 PHE A 101 36.129 -3.529 10.045 1.00 30.55 H new ATOM 0 HD1 PHE A 101 37.265 -1.908 11.430 1.00 30.67 H new ATOM 0 HD2 PHE A 101 37.098 -5.994 12.627 1.00 31.41 H new ATOM 0 HE1 PHE A 101 38.949 -1.470 13.160 1.00 31.03 H new ATOM 0 HE2 PHE A 101 38.785 -5.556 14.362 1.00 31.76 H new ATOM 0 HZ PHE A 101 39.741 -3.262 14.595 1.00 31.57 H new ATOM 1508 N LYS A 102 32.628 -3.110 10.517 1.00 28.42 N ATOM 1509 CA LYS A 102 31.594 -2.794 9.552 1.00 27.96 C ATOM 1510 C LYS A 102 31.488 -1.283 9.423 1.00 27.32 C ATOM 1511 O LYS A 102 31.897 -0.561 10.329 1.00 26.80 O ATOM 1512 CB LYS A 102 30.261 -3.398 10.010 1.00 27.61 C ATOM 1513 CG LYS A 102 29.162 -3.352 8.959 1.00 27.94 C ATOM 1514 CD LYS A 102 27.849 -3.886 9.509 1.00 27.68 C ATOM 1515 CE LYS A 102 27.973 -5.330 9.982 1.00 27.51 C ATOM 1516 NZ LYS A 102 28.240 -6.271 8.857 1.00 27.73 N ATOM 0 H LYS A 102 32.537 -2.617 11.405 1.00 28.42 H new ATOM 0 HA LYS A 102 31.844 -3.217 8.579 1.00 27.96 H new ATOM 0 HB2 LYS A 102 30.426 -4.435 10.302 1.00 27.61 H new ATOM 0 HB3 LYS A 102 29.921 -2.867 10.899 1.00 27.61 H new ATOM 0 HG2 LYS A 102 29.025 -2.326 8.617 1.00 27.94 H new ATOM 0 HG3 LYS A 102 29.461 -3.940 8.091 1.00 27.94 H new ATOM 0 HD2 LYS A 102 27.522 -3.260 10.339 1.00 27.68 H new ATOM 0 HD3 LYS A 102 27.080 -3.822 8.739 1.00 27.68 H new ATOM 0 HE2 LYS A 102 28.778 -5.403 10.713 1.00 27.51 H new ATOM 0 HE3 LYS A 102 27.054 -5.624 10.489 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 28.249 -7.247 9.216 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 27.495 -6.173 8.138 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 29.163 -6.050 8.431 1.00 27.73 H new ATOM 1530 N ASP A 103 31.009 -0.803 8.287 1.00 27.47 N ATOM 1531 CA ASP A 103 30.855 0.626 8.083 1.00 26.99 C ATOM 1532 C ASP A 103 29.648 1.139 8.858 1.00 26.66 C ATOM 1533 O ASP A 103 28.673 0.407 9.039 1.00 27.04 O ATOM 1534 CB ASP A 103 30.671 0.943 6.596 1.00 27.47 C ATOM 1535 CG ASP A 103 31.860 0.545 5.749 1.00 27.51 C ATOM 1536 OD1 ASP A 103 31.813 -0.535 5.119 1.00 27.33 O ATOM 1537 OD2 ASP A 103 32.846 1.312 5.697 1.00 27.82 O ATOM 0 H ASP A 103 30.722 -1.380 7.496 1.00 27.47 H new ATOM 0 HA ASP A 103 31.758 1.119 8.443 1.00 26.99 H new ATOM 0 HB2 ASP A 103 29.783 0.428 6.229 1.00 27.47 H new ATOM 0 HB3 ASP A 103 30.491 2.012 6.479 1.00 27.47 H new ATOM 1542 N PRO A 104 29.710 2.387 9.359 1.00 26.03 N ATOM 1543 CA PRO A 104 28.586 3.018 10.064 1.00 25.74 C ATOM 1544 C PRO A 104 27.326 3.003 9.202 1.00 26.01 C ATOM 1545 O PRO A 104 26.207 2.892 9.702 1.00 25.99 O ATOM 1546 CB PRO A 104 29.078 4.462 10.319 1.00 25.14 C ATOM 1547 CG PRO A 104 30.286 4.628 9.456 1.00 25.07 C ATOM 1548 CD PRO A 104 30.888 3.262 9.309 1.00 25.65 C ATOM 0 HA PRO A 104 28.316 2.501 10.985 1.00 25.74 H new ATOM 0 HB2 PRO A 104 28.309 5.190 10.062 1.00 25.14 H new ATOM 0 HB3 PRO A 104 29.322 4.614 11.370 1.00 25.14 H new ATOM 0 HG2 PRO A 104 30.016 5.041 8.484 1.00 25.07 H new ATOM 0 HG3 PRO A 104 30.996 5.319 9.910 1.00 25.07 H new ATOM 0 HD2 PRO A 104 31.431 3.157 8.370 1.00 25.65 H new ATOM 0 HD3 PRO A 104 31.592 3.041 10.111 1.00 25.65 H new ATOM 1556 N ARG A 105 27.518 3.138 7.900 1.00 26.35 N ATOM 1557 CA ARG A 105 26.428 3.027 6.955 1.00 26.73 C ATOM 1558 C ARG A 105 26.637 1.748 6.145 1.00 27.46 C ATOM 1559 O ARG A 105 27.675 1.600 5.499 1.00 27.80 O ATOM 1560 CB ARG A 105 26.367 4.252 6.031 1.00 26.76 C ATOM 1561 CG ARG A 105 25.801 5.524 6.671 1.00 26.26 C ATOM 1562 CD ARG A 105 26.763 6.152 7.683 1.00 25.68 C ATOM 1563 NE ARG A 105 27.936 6.721 7.026 1.00 25.63 N ATOM 1564 CZ ARG A 105 28.837 7.486 7.639 1.00 25.39 C ATOM 1565 NH1 ARG A 105 28.674 7.829 8.910 1.00 25.18 N ATOM 1566 NH2 ARG A 105 29.886 7.940 6.972 1.00 25.45 N ATOM 0 H ARG A 105 28.426 3.326 7.475 1.00 26.35 H new ATOM 0 HA ARG A 105 25.479 2.985 7.489 1.00 26.73 H new ATOM 0 HB2 ARG A 105 27.373 4.464 5.668 1.00 26.76 H new ATOM 0 HB3 ARG A 105 25.760 4.001 5.161 1.00 26.76 H new ATOM 0 HG2 ARG A 105 25.576 6.250 5.890 1.00 26.26 H new ATOM 0 HG3 ARG A 105 24.860 5.289 7.168 1.00 26.26 H new ATOM 0 HD2 ARG A 105 26.245 6.931 8.244 1.00 25.68 H new ATOM 0 HD3 ARG A 105 27.079 5.397 8.403 1.00 25.68 H new ATOM 0 HE ARG A 105 28.074 6.520 6.036 1.00 25.63 H new ATOM 0 HH11 ARG A 105 27.854 7.506 9.424 1.00 25.18 H new ATOM 0 HH12 ARG A 105 29.368 8.415 9.373 1.00 25.18 H new ATOM 0 HH21 ARG A 105 30.005 7.704 5.987 1.00 25.45 H new ATOM 0 HH22 ARG A 105 30.575 8.526 7.443 1.00 25.45 H new ATOM 1580 N PRO A 106 25.666 0.815 6.138 1.00 27.81 N ATOM 1581 CA PRO A 106 25.849 -0.492 5.492 1.00 28.58 C ATOM 1582 C PRO A 106 26.073 -0.379 3.983 1.00 29.15 C ATOM 1583 O PRO A 106 25.266 0.225 3.264 1.00 29.20 O ATOM 1584 CB PRO A 106 24.546 -1.240 5.796 1.00 28.76 C ATOM 1585 CG PRO A 106 23.540 -0.173 6.054 1.00 28.29 C ATOM 1586 CD PRO A 106 24.287 0.991 6.644 1.00 27.58 C ATOM 0 HA PRO A 106 26.737 -1.002 5.866 1.00 28.58 H new ATOM 0 HB2 PRO A 106 24.247 -1.869 4.958 1.00 28.76 H new ATOM 0 HB3 PRO A 106 24.659 -1.894 6.661 1.00 28.76 H new ATOM 0 HG2 PRO A 106 23.038 0.117 5.131 1.00 28.29 H new ATOM 0 HG3 PRO A 106 22.769 -0.525 6.739 1.00 28.29 H new ATOM 0 HD2 PRO A 106 23.862 1.943 6.325 1.00 27.58 H new ATOM 0 HD3 PRO A 106 24.255 0.977 7.733 1.00 27.58 H new ATOM 1594 N GLY A 107 27.200 -0.918 3.522 1.00 29.63 N ATOM 1595 CA GLY A 107 27.530 -0.879 2.112 1.00 30.26 C ATOM 1596 C GLY A 107 28.248 0.399 1.715 1.00 30.07 C ATOM 1597 O GLY A 107 29.051 0.388 0.785 1.00 30.61 O ATOM 0 H GLY A 107 27.893 -1.384 4.108 1.00 29.63 H new ATOM 0 HA2 GLY A 107 28.158 -1.735 1.866 1.00 30.26 H new ATOM 0 HA3 GLY A 107 26.616 -0.975 1.526 1.00 30.26 H new ATOM 1601 N PHE A 108 27.982 1.495 2.439 1.00 29.36 N ATOM 1602 CA PHE A 108 28.593 2.798 2.135 1.00 29.20 C ATOM 1603 C PHE A 108 28.302 3.158 0.679 1.00 29.85 C ATOM 1604 O PHE A 108 29.211 3.454 -0.099 1.00 30.10 O ATOM 1605 CB PHE A 108 30.105 2.745 2.390 1.00 29.02 C ATOM 1606 CG PHE A 108 30.673 4.039 2.912 1.00 28.90 C ATOM 1607 CD1 PHE A 108 30.656 4.323 4.270 1.00 29.07 C ATOM 1608 CD2 PHE A 108 31.223 4.974 2.045 1.00 28.70 C ATOM 1609 CE1 PHE A 108 31.181 5.506 4.751 1.00 29.04 C ATOM 1610 CE2 PHE A 108 31.749 6.159 2.524 1.00 28.68 C ATOM 1611 CZ PHE A 108 31.718 6.431 3.873 1.00 28.85 C ATOM 0 H PHE A 108 27.349 1.506 3.238 1.00 29.36 H new ATOM 0 HA PHE A 108 28.168 3.564 2.784 1.00 29.20 H new ATOM 0 HB2 PHE A 108 30.317 1.950 3.105 1.00 29.02 H new ATOM 0 HB3 PHE A 108 30.613 2.483 1.462 1.00 29.02 H new ATOM 0 HD1 PHE A 108 30.227 3.610 4.959 1.00 29.07 H new ATOM 0 HD2 PHE A 108 31.240 4.773 0.984 1.00 28.70 H new ATOM 0 HE1 PHE A 108 31.173 5.709 5.812 1.00 29.04 H new ATOM 0 HE2 PHE A 108 32.185 6.872 1.840 1.00 28.68 H new ATOM 0 HZ PHE A 108 32.112 7.365 4.246 1.00 28.85 H new ATOM 1621 N GLU A 109 27.016 3.191 0.344 1.00 30.16 N ATOM 1622 CA GLU A 109 26.583 3.434 -1.030 1.00 30.84 C ATOM 1623 C GLU A 109 25.150 3.951 -1.054 1.00 31.39 C ATOM 1624 O GLU A 109 24.231 3.190 -0.687 1.00 31.70 O ATOM 1625 CB GLU A 109 26.708 2.163 -1.913 1.00 30.99 C ATOM 1626 CG GLU A 109 26.120 0.888 -1.310 1.00 31.54 C ATOM 1627 CD GLU A 109 25.948 -0.214 -2.333 1.00 31.75 C ATOM 1628 OE1 GLU A 109 26.964 -0.696 -2.877 1.00 32.01 O ATOM 1629 OE2 GLU A 109 24.789 -0.603 -2.594 1.00 31.74 O ATOM 1630 OXT GLU A 109 24.949 5.116 -1.448 1.00 31.58 O ATOM 0 H GLU A 109 26.253 3.052 1.006 1.00 30.16 H new ATOM 0 HA GLU A 109 27.245 4.192 -1.448 1.00 30.84 H new ATOM 0 HB2 GLU A 109 26.217 2.354 -2.867 1.00 30.99 H new ATOM 0 HB3 GLU A 109 27.763 1.991 -2.126 1.00 30.99 H new ATOM 0 HG2 GLU A 109 26.770 0.536 -0.508 1.00 31.54 H new ATOM 0 HG3 GLU A 109 25.153 1.115 -0.860 1.00 31.54 H new TER 1637 GLU A 109