USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=70 USER MOD reduce.3.24.130724 removed 1371 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: B 47 MET CE :methyl -146:sc= -0.802 (180deg=-4.26!) USER MOD Set 1.2: B 83 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: B 80 CYS SG : rot 180:sc= -0.0998 USER MOD Set 2.2: B 84 ASN : amide:sc= -0.102 X(o=-0.2,f=-0.45) USER MOD Set 3.1: B 58 SER OG : rot 83:sc= 0.968 USER MOD Set 3.2: B 61 LYS NZ :NH3+ -144:sc= 0.954 (180deg=0) USER MOD Set 4.1: B 39 LYS NZ :NH3+ -131:sc= 1.42 (180deg=-1.01) USER MOD Set 4.2: B 43 CYS SG : rot 180:sc= 0.156 USER MOD Set 5.1: B 30 SER OG : rot -137:sc= 0.579 USER MOD Set 5.2: B 32 LYS NZ :NH3+ -154:sc= 1.06 (180deg=-0.765!) USER MOD Set 6.1: B 7 LYS NZ :NH3+ -130:sc= 1.02 (180deg=-2.77!) USER MOD Set 6.2: B 10 THR OG1 : rot 24:sc= 1.77 USER MOD Set 7.1: A 80 CYS SG : rot 180:sc= 0.756 USER MOD Set 7.2: A 84 ASN : amide:sc= 0.898 K(o=1.7,f=-0.8) USER MOD Set 8.1: A 77 THR OG1 : rot 92:sc= 0.27 USER MOD Set 8.2: B 73 SER OG : rot -80:sc= 0.416 USER MOD Set 9.1: A 73 SER OG : rot -85:sc= 1.1 USER MOD Set 9.2: B 77 THR OG1 : rot 87:sc= 0.238 USER MOD Set10.1: A 62 ASN : amide:sc= 0.64 K(o=1.5,f=0.0024) USER MOD Set10.2: A 65 GLN : amide:sc= 0.889 K(o=1.5,f=-1.9!) USER MOD Set11.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set11.2: A 61 LYS NZ :NH3+ 146:sc= 1.18 (180deg=0.00717) USER MOD Set12.1: A 15 THR OG1 : rot 126:sc= 0.903 USER MOD Set12.2: A 72 TYR OH : rot 60:sc= 0.78 USER MOD Single : A 3 THR OG1 : rot 134:sc= 1.61 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 1.48 (180deg=1.18) USER MOD Single : A 10 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 11 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 98:sc= 1.21 USER MOD Single : A 17 HIS : no HE2:sc=-0.00866 K(o=-0.0087,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ 149:sc= 1.63 (180deg=0.283!) USER MOD Single : A 19 TYR OH : rot 165:sc= 0 USER MOD Single : A 20 SER OG : rot -100:sc= 0.94 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0931 USER MOD Single : A 30 SER OG : rot 68:sc= 1.3 USER MOD Single : A 32 LYS NZ :NH3+ -143:sc= -1.19 (180deg=-2.36!) USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 1.24 (180deg=0.906) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= 0.914 (180deg=0.179) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 0.629 (180deg=0.441) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= 2.09 (180deg=1.17) USER MOD Single : A 50 SER OG : rot 64:sc= 1.27 USER MOD Single : A 51 SER OG : rot 90:sc= 1.21 USER MOD Single : A 56 MET CE :methyl -134:sc= -0.25 (180deg=-3.38!) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 1.23 (180deg=0.885) USER MOD Single : A 63 SER OG : rot -61:sc= 1.27 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= 0.897 (180deg=-0.0596) USER MOD Single : A 78 MET CE :methyl -177:sc= 0 (180deg=-0.0103) USER MOD Single : A 81 MET CE :methyl 140:sc= -1.03 (180deg=-2.97) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot -130:sc= 0.419 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 MET CE :methyl -167:sc= -0.024 (180deg=-0.135) USER MOD Single : B 14 THR OG1 : rot 99:sc= 1.24 USER MOD Single : B 15 THR OG1 : rot 77:sc= 0.204 USER MOD Single : B 17 HIS : no HE2:sc= -0.458 K(o=-0.46,f=-1.3) USER MOD Single : B 18 LYS NZ :NH3+ -150:sc= 0.435 (180deg=-1.27!) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 127:sc= 0.701 USER MOD Single : B 25 SER OG : rot 38:sc= 1.06 USER MOD Single : B 26 LYS NZ :NH3+ 164:sc= 0.725 (180deg=0.527) USER MOD Single : B 28 THR OG1 : rot 154:sc= 1.26 USER MOD Single : B 35 LYS NZ :NH3+ 162:sc= 0.262 (180deg=-0.771) USER MOD Single : B 40 LYS NZ :NH3+ 142:sc= 0.296 (180deg=-1.21!) USER MOD Single : B 48 LYS NZ :NH3+ -165:sc= 0.757! (180deg=0.422!) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot -5:sc= 0.506 USER MOD Single : B 56 MET CE :methyl 159:sc= -0.488 (180deg=-1.08) USER MOD Single : B 57 LYS NZ :NH3+ -163:sc= 0.572 (180deg=-0.462) USER MOD Single : B 62 ASN : amide:sc= 0.218 K(o=0.22,f=-4.3!) USER MOD Single : B 63 SER OG : rot -29:sc= 1.07 USER MOD Single : B 65 GLN : amide:sc= 0.992 K(o=0.99,f=0) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 TYR OH : rot 167:sc= 0.0506 USER MOD Single : B 78 MET CE :methyl 165:sc= -0.0111 (180deg=-0.326) USER MOD Single : B 81 MET CE :methyl -123:sc= -0.0239 (180deg=-0.362) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 9.511 2.813 19.774 1.00 2.24 N ATOM 18 CA GLU A 2 8.957 3.464 20.981 1.00 1.40 C ATOM 19 C GLU A 2 8.000 4.618 20.684 1.00 1.24 C ATOM 20 O GLU A 2 6.956 4.730 21.332 1.00 1.95 O ATOM 21 CB GLU A 2 10.080 4.060 21.865 1.00 2.22 C ATOM 22 CG GLU A 2 11.176 3.085 22.325 1.00 3.41 C ATOM 23 CD GLU A 2 11.903 2.483 21.130 1.00 4.34 C ATOM 24 OE1 GLU A 2 12.255 3.268 20.225 1.00 4.88 O ATOM 25 OE2 GLU A 2 11.753 1.261 20.927 1.00 5.01 O ATOM 0 HA GLU A 2 8.415 2.663 21.484 1.00 1.40 H new ATOM 0 HB2 GLU A 2 10.554 4.872 21.314 1.00 2.22 H new ATOM 0 HB3 GLU A 2 9.621 4.501 22.750 1.00 2.22 H new ATOM 0 HG2 GLU A 2 11.888 3.607 22.964 1.00 3.41 H new ATOM 0 HG3 GLU A 2 10.733 2.290 22.925 1.00 3.41 H new ATOM 32 N THR A 3 8.347 5.478 19.719 1.00 0.80 N ATOM 33 CA THR A 3 7.661 6.756 19.466 1.00 0.71 C ATOM 34 C THR A 3 6.254 6.532 18.891 1.00 0.74 C ATOM 35 O THR A 3 5.962 5.414 18.446 1.00 0.87 O ATOM 36 CB THR A 3 8.516 7.723 18.616 1.00 0.83 C ATOM 37 OG1 THR A 3 8.170 7.651 17.252 1.00 1.12 O ATOM 38 CG2 THR A 3 10.030 7.524 18.738 1.00 1.30 C ATOM 0 H THR A 3 9.124 5.305 19.081 1.00 0.80 H new ATOM 0 HA THR A 3 7.529 7.252 20.428 1.00 0.71 H new ATOM 0 HB THR A 3 8.285 8.705 19.028 1.00 0.83 H new ATOM 0 HG1 THR A 3 8.085 8.557 16.888 1.00 1.12 H new ATOM 0 HG21 THR A 3 10.544 8.248 18.106 1.00 1.30 H new ATOM 0 HG22 THR A 3 10.333 7.668 19.775 1.00 1.30 H new ATOM 0 HG23 THR A 3 10.291 6.515 18.420 1.00 1.30 H new ATOM 46 N PRO A 4 5.365 7.550 18.878 1.00 0.94 N ATOM 47 CA PRO A 4 4.041 7.405 18.285 1.00 1.16 C ATOM 48 C PRO A 4 4.113 7.376 16.754 1.00 1.18 C ATOM 49 O PRO A 4 3.406 6.563 16.171 1.00 1.28 O ATOM 50 CB PRO A 4 3.223 8.584 18.815 1.00 1.50 C ATOM 51 CG PRO A 4 4.271 9.665 19.069 1.00 1.46 C ATOM 52 CD PRO A 4 5.510 8.869 19.477 1.00 1.15 C ATOM 0 HA PRO A 4 3.574 6.459 18.558 1.00 1.16 H new ATOM 0 HB2 PRO A 4 2.477 8.912 18.091 1.00 1.50 H new ATOM 0 HB3 PRO A 4 2.688 8.322 19.728 1.00 1.50 H new ATOM 0 HG2 PRO A 4 4.454 10.264 18.177 1.00 1.46 H new ATOM 0 HG3 PRO A 4 3.958 10.351 19.855 1.00 1.46 H new ATOM 0 HD2 PRO A 4 6.419 9.358 19.126 1.00 1.15 H new ATOM 0 HD3 PRO A 4 5.586 8.797 20.562 1.00 1.15 H new ATOM 60 N LEU A 5 4.994 8.160 16.110 1.00 1.15 N ATOM 61 CA LEU A 5 5.249 8.058 14.665 1.00 1.18 C ATOM 62 C LEU A 5 5.724 6.654 14.281 1.00 1.08 C ATOM 63 O LEU A 5 5.210 6.058 13.337 1.00 1.24 O ATOM 64 CB LEU A 5 6.282 9.121 14.246 1.00 1.24 C ATOM 65 CG LEU A 5 6.736 9.045 12.770 1.00 1.44 C ATOM 66 CD1 LEU A 5 5.566 9.154 11.779 1.00 1.62 C ATOM 67 CD2 LEU A 5 7.770 10.141 12.486 1.00 2.48 C ATOM 0 H LEU A 5 5.547 8.880 16.575 1.00 1.15 H new ATOM 0 HA LEU A 5 4.315 8.240 14.133 1.00 1.18 H new ATOM 0 HB2 LEU A 5 5.860 10.109 14.430 1.00 1.24 H new ATOM 0 HB3 LEU A 5 7.159 9.025 14.886 1.00 1.24 H new ATOM 0 HG LEU A 5 7.184 8.062 12.623 1.00 1.44 H new ATOM 0 HD11 LEU A 5 5.946 9.094 10.759 1.00 1.62 H new ATOM 0 HD12 LEU A 5 4.865 8.338 11.953 1.00 1.62 H new ATOM 0 HD13 LEU A 5 5.056 10.107 11.921 1.00 1.62 H new ATOM 0 HD21 LEU A 5 8.086 10.082 11.444 1.00 2.48 H new ATOM 0 HD22 LEU A 5 7.326 11.118 12.676 1.00 2.48 H new ATOM 0 HD23 LEU A 5 8.634 10.003 13.136 1.00 2.48 H new ATOM 79 N GLU A 6 6.670 6.105 15.042 1.00 0.95 N ATOM 80 CA GLU A 6 7.194 4.748 14.879 1.00 1.03 C ATOM 81 C GLU A 6 6.096 3.668 14.892 1.00 1.10 C ATOM 82 O GLU A 6 6.214 2.654 14.205 1.00 1.16 O ATOM 83 CB GLU A 6 8.248 4.544 15.972 1.00 1.13 C ATOM 84 CG GLU A 6 8.566 3.112 16.379 1.00 1.44 C ATOM 85 CD GLU A 6 8.947 2.169 15.242 1.00 2.43 C ATOM 86 OE1 GLU A 6 9.533 2.636 14.254 1.00 3.37 O ATOM 87 OE2 GLU A 6 8.699 0.957 15.434 1.00 3.39 O ATOM 0 H GLU A 6 7.107 6.608 15.814 1.00 0.95 H new ATOM 0 HA GLU A 6 7.647 4.638 13.894 1.00 1.03 H new ATOM 0 HB2 GLU A 6 9.174 5.013 15.639 1.00 1.13 H new ATOM 0 HB3 GLU A 6 7.920 5.082 16.861 1.00 1.13 H new ATOM 0 HG2 GLU A 6 9.384 3.132 17.099 1.00 1.44 H new ATOM 0 HG3 GLU A 6 7.698 2.699 16.893 1.00 1.44 H new ATOM 94 N LYS A 7 4.982 3.876 15.598 1.00 1.11 N ATOM 95 CA LYS A 7 3.843 2.949 15.484 1.00 1.28 C ATOM 96 C LYS A 7 3.387 2.730 14.030 1.00 1.04 C ATOM 97 O LYS A 7 3.038 1.596 13.687 1.00 1.03 O ATOM 98 CB LYS A 7 2.673 3.363 16.401 1.00 1.68 C ATOM 99 CG LYS A 7 3.065 3.566 17.855 1.00 1.77 C ATOM 100 CD LYS A 7 3.586 2.258 18.452 1.00 2.07 C ATOM 101 CE LYS A 7 4.016 2.562 19.870 1.00 3.06 C ATOM 102 NZ LYS A 7 5.422 3.029 19.893 1.00 3.77 N ATOM 0 H LYS A 7 4.841 4.656 16.240 1.00 1.11 H new ATOM 0 HA LYS A 7 4.203 1.981 15.833 1.00 1.28 H new ATOM 0 HB2 LYS A 7 2.237 4.287 16.021 1.00 1.68 H new ATOM 0 HB3 LYS A 7 1.897 2.600 16.348 1.00 1.68 H new ATOM 0 HG2 LYS A 7 3.831 4.338 17.928 1.00 1.77 H new ATOM 0 HG3 LYS A 7 2.205 3.917 18.425 1.00 1.77 H new ATOM 0 HD2 LYS A 7 2.811 1.492 18.440 1.00 2.07 H new ATOM 0 HD3 LYS A 7 4.423 1.874 17.869 1.00 2.07 H new ATOM 0 HE2 LYS A 7 3.366 3.324 20.299 1.00 3.06 H new ATOM 0 HE3 LYS A 7 3.912 1.670 20.488 1.00 3.06 H new ATOM 0 HZ1 LYS A 7 5.616 3.500 20.799 1.00 3.77 H new ATOM 0 HZ2 LYS A 7 6.060 2.215 19.782 1.00 3.77 H new ATOM 0 HZ3 LYS A 7 5.578 3.700 19.114 1.00 3.77 H new ATOM 116 N ALA A 8 3.480 3.736 13.155 1.00 0.91 N ATOM 117 CA ALA A 8 3.212 3.583 11.726 1.00 0.81 C ATOM 118 C ALA A 8 4.222 2.688 11.006 1.00 0.63 C ATOM 119 O ALA A 8 3.802 1.845 10.218 1.00 0.65 O ATOM 120 CB ALA A 8 3.176 4.954 11.046 1.00 1.01 C ATOM 0 H ALA A 8 3.745 4.684 13.422 1.00 0.91 H new ATOM 0 HA ALA A 8 2.242 3.092 11.652 1.00 0.81 H new ATOM 0 HB1 ALA A 8 2.976 4.827 9.982 1.00 1.01 H new ATOM 0 HB2 ALA A 8 2.389 5.562 11.494 1.00 1.01 H new ATOM 0 HB3 ALA A 8 4.137 5.451 11.178 1.00 1.01 H new ATOM 126 N LEU A 9 5.519 2.844 11.286 1.00 0.64 N ATOM 127 CA LEU A 9 6.591 2.051 10.680 1.00 0.71 C ATOM 128 C LEU A 9 6.482 0.590 11.125 1.00 0.69 C ATOM 129 O LEU A 9 6.367 -0.290 10.266 1.00 0.70 O ATOM 130 CB LEU A 9 7.968 2.665 11.021 1.00 0.89 C ATOM 131 CG LEU A 9 8.377 3.960 10.278 1.00 1.06 C ATOM 132 CD1 LEU A 9 8.379 3.774 8.752 1.00 1.12 C ATOM 133 CD2 LEU A 9 7.527 5.183 10.657 1.00 1.33 C ATOM 0 H LEU A 9 5.859 3.538 11.952 1.00 0.64 H new ATOM 0 HA LEU A 9 6.488 2.069 9.595 1.00 0.71 H new ATOM 0 HB2 LEU A 9 7.989 2.870 12.091 1.00 0.89 H new ATOM 0 HB3 LEU A 9 8.730 1.911 10.826 1.00 0.89 H new ATOM 0 HG LEU A 9 9.395 4.162 10.610 1.00 1.06 H new ATOM 0 HD11 LEU A 9 8.672 4.708 8.272 1.00 1.12 H new ATOM 0 HD12 LEU A 9 9.086 2.990 8.482 1.00 1.12 H new ATOM 0 HD13 LEU A 9 7.380 3.492 8.418 1.00 1.12 H new ATOM 0 HD21 LEU A 9 7.871 6.053 10.097 1.00 1.33 H new ATOM 0 HD22 LEU A 9 6.482 4.988 10.418 1.00 1.33 H new ATOM 0 HD23 LEU A 9 7.625 5.377 11.725 1.00 1.33 H new ATOM 145 N THR A 10 6.389 0.350 12.449 1.00 0.72 N ATOM 146 CA THR A 10 6.038 -0.950 13.054 1.00 0.85 C ATOM 147 C THR A 10 4.810 -1.567 12.381 1.00 0.81 C ATOM 148 O THR A 10 4.854 -2.743 12.035 1.00 0.92 O ATOM 149 CB THR A 10 5.859 -0.800 14.579 1.00 1.01 C ATOM 150 OG1 THR A 10 7.103 -1.018 15.201 1.00 1.20 O ATOM 151 CG2 THR A 10 4.910 -1.819 15.221 1.00 1.85 C ATOM 0 H THR A 10 6.561 1.075 13.145 1.00 0.72 H new ATOM 0 HA THR A 10 6.861 -1.645 12.886 1.00 0.85 H new ATOM 0 HB THR A 10 5.444 0.198 14.718 1.00 1.01 H new ATOM 0 HG1 THR A 10 7.715 -0.287 14.973 1.00 1.20 H new ATOM 0 HG21 THR A 10 4.849 -1.634 16.293 1.00 1.85 H new ATOM 0 HG22 THR A 10 3.919 -1.722 14.779 1.00 1.85 H new ATOM 0 HG23 THR A 10 5.287 -2.827 15.048 1.00 1.85 H new ATOM 159 N THR A 11 3.736 -0.810 12.135 1.00 0.74 N ATOM 160 CA THR A 11 2.505 -1.328 11.504 1.00 0.75 C ATOM 161 C THR A 11 2.709 -1.651 10.028 1.00 0.70 C ATOM 162 O THR A 11 2.280 -2.711 9.570 1.00 0.75 O ATOM 163 CB THR A 11 1.365 -0.335 11.706 1.00 0.80 C ATOM 164 OG1 THR A 11 1.158 -0.200 13.088 1.00 0.96 O ATOM 165 CG2 THR A 11 0.043 -0.799 11.103 1.00 0.95 C ATOM 0 H THR A 11 3.690 0.182 12.366 1.00 0.74 H new ATOM 0 HA THR A 11 2.243 -2.268 11.990 1.00 0.75 H new ATOM 0 HB THR A 11 1.653 0.593 11.213 1.00 0.80 H new ATOM 0 HG1 THR A 11 1.848 0.384 13.467 1.00 0.96 H new ATOM 0 HG21 THR A 11 -0.724 -0.045 11.283 1.00 0.95 H new ATOM 0 HG22 THR A 11 0.164 -0.944 10.029 1.00 0.95 H new ATOM 0 HG23 THR A 11 -0.257 -1.740 11.565 1.00 0.95 H new ATOM 173 N MET A 12 3.400 -0.789 9.279 1.00 0.63 N ATOM 174 CA MET A 12 3.746 -1.044 7.877 1.00 0.58 C ATOM 175 C MET A 12 4.635 -2.285 7.722 1.00 0.61 C ATOM 176 O MET A 12 4.362 -3.075 6.829 1.00 0.59 O ATOM 177 CB MET A 12 4.392 0.191 7.234 1.00 0.56 C ATOM 178 CG MET A 12 3.366 1.274 6.891 1.00 0.81 C ATOM 179 SD MET A 12 4.107 2.688 6.036 1.00 0.94 S ATOM 180 CE MET A 12 2.628 3.386 5.265 1.00 0.70 C ATOM 0 H MET A 12 3.737 0.108 9.628 1.00 0.63 H new ATOM 0 HA MET A 12 2.816 -1.250 7.347 1.00 0.58 H new ATOM 0 HB2 MET A 12 5.138 0.603 7.914 1.00 0.56 H new ATOM 0 HB3 MET A 12 4.918 -0.108 6.327 1.00 0.56 H new ATOM 0 HG2 MET A 12 2.585 0.844 6.265 1.00 0.81 H new ATOM 0 HG3 MET A 12 2.886 1.618 7.807 1.00 0.81 H new ATOM 0 HE1 MET A 12 2.900 4.273 4.692 1.00 0.70 H new ATOM 0 HE2 MET A 12 2.181 2.647 4.599 1.00 0.70 H new ATOM 0 HE3 MET A 12 1.909 3.659 6.038 1.00 0.70 H new ATOM 190 N VAL A 13 5.623 -2.526 8.596 1.00 0.75 N ATOM 191 CA VAL A 13 6.373 -3.803 8.572 1.00 1.00 C ATOM 192 C VAL A 13 5.532 -5.002 9.063 1.00 1.18 C ATOM 193 O VAL A 13 5.684 -6.101 8.531 1.00 1.35 O ATOM 194 CB VAL A 13 7.747 -3.749 9.291 1.00 1.12 C ATOM 195 CG1 VAL A 13 8.689 -2.728 8.633 1.00 1.11 C ATOM 196 CG2 VAL A 13 7.664 -3.473 10.794 1.00 1.11 C ATOM 0 H VAL A 13 5.922 -1.871 9.318 1.00 0.75 H new ATOM 0 HA VAL A 13 6.592 -3.963 7.516 1.00 1.00 H new ATOM 0 HB VAL A 13 8.153 -4.754 9.178 1.00 1.12 H new ATOM 0 HG11 VAL A 13 9.641 -2.717 9.163 1.00 1.11 H new ATOM 0 HG12 VAL A 13 8.856 -3.005 7.592 1.00 1.11 H new ATOM 0 HG13 VAL A 13 8.239 -1.736 8.677 1.00 1.11 H new ATOM 0 HG21 VAL A 13 8.669 -3.452 11.216 1.00 1.11 H new ATOM 0 HG22 VAL A 13 7.180 -2.511 10.961 1.00 1.11 H new ATOM 0 HG23 VAL A 13 7.084 -4.259 11.277 1.00 1.11 H new ATOM 206 N THR A 14 4.592 -4.811 10.006 1.00 1.21 N ATOM 207 CA THR A 14 3.676 -5.859 10.527 1.00 1.47 C ATOM 208 C THR A 14 2.641 -6.314 9.494 1.00 1.55 C ATOM 209 O THR A 14 2.156 -7.444 9.558 1.00 2.18 O ATOM 210 CB THR A 14 2.982 -5.360 11.807 1.00 1.53 C ATOM 211 OG1 THR A 14 3.975 -5.127 12.773 1.00 1.46 O ATOM 212 CG2 THR A 14 2.018 -6.365 12.437 1.00 2.02 C ATOM 0 H THR A 14 4.439 -3.902 10.443 1.00 1.21 H new ATOM 0 HA THR A 14 4.285 -6.733 10.758 1.00 1.47 H new ATOM 0 HB THR A 14 2.412 -4.477 11.517 1.00 1.53 H new ATOM 0 HG1 THR A 14 4.201 -4.173 12.787 1.00 1.46 H new ATOM 0 HG21 THR A 14 1.574 -5.931 13.333 1.00 2.02 H new ATOM 0 HG22 THR A 14 1.231 -6.610 11.724 1.00 2.02 H new ATOM 0 HG23 THR A 14 2.561 -7.272 12.704 1.00 2.02 H new ATOM 220 N THR A 15 2.289 -5.447 8.545 1.00 1.04 N ATOM 221 CA THR A 15 1.473 -5.769 7.363 1.00 0.93 C ATOM 222 C THR A 15 2.352 -6.348 6.269 1.00 0.76 C ATOM 223 O THR A 15 2.162 -7.504 5.906 1.00 0.84 O ATOM 224 CB THR A 15 0.669 -4.548 6.894 1.00 0.90 C ATOM 225 OG1 THR A 15 1.426 -3.363 6.981 1.00 1.30 O ATOM 226 CG2 THR A 15 -0.551 -4.334 7.780 1.00 1.30 C ATOM 0 H THR A 15 2.571 -4.467 8.574 1.00 1.04 H new ATOM 0 HA THR A 15 0.740 -6.530 7.631 1.00 0.93 H new ATOM 0 HB THR A 15 0.386 -4.751 5.861 1.00 0.90 H new ATOM 0 HG1 THR A 15 1.423 -2.908 6.113 1.00 1.30 H new ATOM 0 HG21 THR A 15 -1.107 -3.464 7.430 1.00 1.30 H new ATOM 0 HG22 THR A 15 -1.191 -5.215 7.736 1.00 1.30 H new ATOM 0 HG23 THR A 15 -0.229 -4.170 8.808 1.00 1.30 H new ATOM 234 N PHE A 16 3.369 -5.612 5.812 1.00 0.75 N ATOM 235 CA PHE A 16 4.209 -6.014 4.676 1.00 0.72 C ATOM 236 C PHE A 16 4.910 -7.370 4.875 1.00 0.75 C ATOM 237 O PHE A 16 5.034 -8.143 3.920 1.00 0.69 O ATOM 238 CB PHE A 16 5.215 -4.885 4.408 1.00 0.72 C ATOM 239 CG PHE A 16 6.104 -5.087 3.197 1.00 0.70 C ATOM 240 CD1 PHE A 16 7.247 -5.897 3.297 1.00 1.98 C ATOM 241 CD2 PHE A 16 5.802 -4.457 1.973 1.00 2.02 C ATOM 242 CE1 PHE A 16 8.072 -6.078 2.178 1.00 2.06 C ATOM 243 CE2 PHE A 16 6.678 -4.580 0.878 1.00 1.96 C ATOM 244 CZ PHE A 16 7.821 -5.393 0.980 1.00 0.72 C ATOM 0 H PHE A 16 3.636 -4.716 6.220 1.00 0.75 H new ATOM 0 HA PHE A 16 3.567 -6.166 3.808 1.00 0.72 H new ATOM 0 HB2 PHE A 16 4.665 -3.952 4.284 1.00 0.72 H new ATOM 0 HB3 PHE A 16 5.848 -4.767 5.288 1.00 0.72 H new ATOM 0 HD1 PHE A 16 7.490 -6.379 4.233 1.00 1.98 H new ATOM 0 HD2 PHE A 16 4.896 -3.878 1.875 1.00 2.02 H new ATOM 0 HE1 PHE A 16 8.912 -6.754 2.239 1.00 2.06 H new ATOM 0 HE2 PHE A 16 6.472 -4.050 -0.040 1.00 1.96 H new ATOM 0 HZ PHE A 16 8.499 -5.489 0.144 1.00 0.72 H new ATOM 254 N HIS A 17 5.358 -7.696 6.093 1.00 0.90 N ATOM 255 CA HIS A 17 6.035 -8.968 6.375 1.00 0.93 C ATOM 256 C HIS A 17 5.165 -10.196 6.035 1.00 0.81 C ATOM 257 O HIS A 17 5.676 -11.167 5.471 1.00 0.87 O ATOM 258 CB HIS A 17 6.511 -9.012 7.835 1.00 1.19 C ATOM 259 CG HIS A 17 7.292 -10.263 8.166 1.00 1.48 C ATOM 260 ND1 HIS A 17 6.997 -11.187 9.143 1.00 2.35 N ATOM 261 CD2 HIS A 17 8.423 -10.705 7.532 1.00 1.60 C ATOM 262 CE1 HIS A 17 7.920 -12.163 9.091 1.00 2.58 C ATOM 263 NE2 HIS A 17 8.815 -11.910 8.125 1.00 2.09 N ATOM 0 H HIS A 17 5.262 -7.089 6.907 1.00 0.90 H new ATOM 0 HA HIS A 17 6.905 -9.019 5.720 1.00 0.93 H new ATOM 0 HB2 HIS A 17 7.133 -8.139 8.035 1.00 1.19 H new ATOM 0 HB3 HIS A 17 5.646 -8.945 8.495 1.00 1.19 H new ATOM 0 HD1 HIS A 17 6.213 -11.139 9.794 1.00 2.35 H new ATOM 0 HD2 HIS A 17 8.926 -10.209 6.715 1.00 1.60 H new ATOM 0 HE1 HIS A 17 7.938 -13.029 9.736 1.00 2.58 H new ATOM 272 N LYS A 18 3.847 -10.138 6.287 1.00 0.81 N ATOM 273 CA LYS A 18 2.908 -11.246 6.032 1.00 0.83 C ATOM 274 C LYS A 18 2.924 -11.755 4.580 1.00 0.69 C ATOM 275 O LYS A 18 2.579 -12.910 4.325 1.00 0.83 O ATOM 276 CB LYS A 18 1.471 -10.799 6.369 1.00 1.04 C ATOM 277 CG LYS A 18 1.206 -10.373 7.816 1.00 1.61 C ATOM 278 CD LYS A 18 -0.317 -10.350 8.046 1.00 2.31 C ATOM 279 CE LYS A 18 -0.756 -9.644 9.334 1.00 3.64 C ATOM 280 NZ LYS A 18 -0.622 -8.176 9.221 1.00 4.56 N ATOM 0 H LYS A 18 3.397 -9.311 6.678 1.00 0.81 H new ATOM 0 HA LYS A 18 3.237 -12.067 6.670 1.00 0.83 H new ATOM 0 HB2 LYS A 18 1.212 -9.966 5.716 1.00 1.04 H new ATOM 0 HB3 LYS A 18 0.794 -11.618 6.126 1.00 1.04 H new ATOM 0 HG2 LYS A 18 1.684 -11.066 8.509 1.00 1.61 H new ATOM 0 HG3 LYS A 18 1.633 -9.388 8.005 1.00 1.61 H new ATOM 0 HD2 LYS A 18 -0.792 -9.858 7.197 1.00 2.31 H new ATOM 0 HD3 LYS A 18 -0.684 -11.376 8.066 1.00 2.31 H new ATOM 0 HE2 LYS A 18 -1.792 -9.900 9.555 1.00 3.64 H new ATOM 0 HE3 LYS A 18 -0.154 -10.002 10.169 1.00 3.64 H new ATOM 0 HZ1 LYS A 18 -1.351 -7.715 9.802 1.00 4.56 H new ATOM 0 HZ2 LYS A 18 0.320 -7.887 9.554 1.00 4.56 H new ATOM 0 HZ3 LYS A 18 -0.740 -7.892 8.228 1.00 4.56 H new ATOM 294 N TYR A 19 3.293 -10.896 3.630 1.00 0.58 N ATOM 295 CA TYR A 19 3.218 -11.148 2.182 1.00 0.62 C ATOM 296 C TYR A 19 4.595 -11.158 1.493 1.00 0.77 C ATOM 297 O TYR A 19 4.677 -11.187 0.272 1.00 1.53 O ATOM 298 CB TYR A 19 2.300 -10.074 1.575 1.00 0.63 C ATOM 299 CG TYR A 19 0.889 -10.111 2.126 1.00 0.60 C ATOM 300 CD1 TYR A 19 -0.049 -11.004 1.574 1.00 1.86 C ATOM 301 CD2 TYR A 19 0.522 -9.283 3.205 1.00 2.00 C ATOM 302 CE1 TYR A 19 -1.357 -11.065 2.086 1.00 1.89 C ATOM 303 CE2 TYR A 19 -0.786 -9.336 3.717 1.00 2.02 C ATOM 304 CZ TYR A 19 -1.727 -10.227 3.164 1.00 0.71 C ATOM 305 OH TYR A 19 -2.988 -10.279 3.667 1.00 0.83 O ATOM 0 H TYR A 19 3.666 -9.972 3.850 1.00 0.58 H new ATOM 0 HA TYR A 19 2.815 -12.147 2.018 1.00 0.62 H new ATOM 0 HB2 TYR A 19 2.730 -9.090 1.762 1.00 0.63 H new ATOM 0 HB3 TYR A 19 2.264 -10.206 0.494 1.00 0.63 H new ATOM 0 HD1 TYR A 19 0.237 -11.645 0.753 1.00 1.86 H new ATOM 0 HD2 TYR A 19 1.245 -8.608 3.639 1.00 2.00 H new ATOM 0 HE1 TYR A 19 -2.076 -11.748 1.658 1.00 1.89 H new ATOM 0 HE2 TYR A 19 -1.070 -8.692 4.536 1.00 2.02 H new ATOM 0 HH TYR A 19 -3.012 -9.830 4.538 1.00 0.83 H new ATOM 315 N SER A 20 5.683 -11.105 2.262 1.00 0.66 N ATOM 316 CA SER A 20 7.064 -11.042 1.762 1.00 0.70 C ATOM 317 C SER A 20 7.915 -12.151 2.386 1.00 0.81 C ATOM 318 O SER A 20 8.445 -13.005 1.661 1.00 1.28 O ATOM 319 CB SER A 20 7.628 -9.641 2.055 1.00 0.87 C ATOM 320 OG SER A 20 7.429 -9.254 3.404 1.00 1.83 O ATOM 0 H SER A 20 5.630 -11.105 3.281 1.00 0.66 H new ATOM 0 HA SER A 20 7.083 -11.207 0.685 1.00 0.70 H new ATOM 0 HB2 SER A 20 8.694 -9.626 1.828 1.00 0.87 H new ATOM 0 HB3 SER A 20 7.152 -8.915 1.397 1.00 0.87 H new ATOM 0 HG SER A 20 6.656 -8.655 3.462 1.00 1.83 H new ATOM 326 N GLY A 21 7.921 -12.231 3.727 1.00 0.97 N ATOM 327 CA GLY A 21 8.652 -13.206 4.550 1.00 1.25 C ATOM 328 C GLY A 21 8.130 -14.635 4.501 1.00 1.40 C ATOM 329 O GLY A 21 8.289 -15.388 5.456 1.00 1.90 O ATOM 0 H GLY A 21 7.384 -11.578 4.298 1.00 0.97 H new ATOM 0 HA2 GLY A 21 9.696 -13.209 4.236 1.00 1.25 H new ATOM 0 HA3 GLY A 21 8.632 -12.867 5.586 1.00 1.25 H new ATOM 332 N ARG A 22 7.515 -14.986 3.373 1.00 1.33 N ATOM 333 CA ARG A 22 6.961 -16.287 3.008 1.00 1.56 C ATOM 334 C ARG A 22 6.818 -16.498 1.483 1.00 1.76 C ATOM 335 O ARG A 22 6.331 -17.558 1.104 1.00 2.35 O ATOM 336 CB ARG A 22 5.659 -16.533 3.806 1.00 2.52 C ATOM 337 CG ARG A 22 4.536 -15.489 3.621 1.00 2.52 C ATOM 338 CD ARG A 22 3.632 -15.772 2.423 1.00 2.26 C ATOM 339 NE ARG A 22 2.779 -16.948 2.663 1.00 3.04 N ATOM 340 CZ ARG A 22 2.435 -17.867 1.761 1.00 3.57 C ATOM 341 NH1 ARG A 22 2.787 -17.805 0.498 1.00 3.41 N ATOM 342 NH2 ARG A 22 1.710 -18.901 2.138 1.00 4.94 N ATOM 0 H ARG A 22 7.380 -14.306 2.625 1.00 1.33 H new ATOM 0 HA ARG A 22 7.678 -17.057 3.293 1.00 1.56 H new ATOM 0 HB2 ARG A 22 5.266 -17.511 3.527 1.00 2.52 H new ATOM 0 HB3 ARG A 22 5.911 -16.581 4.865 1.00 2.52 H new ATOM 0 HG2 ARG A 22 3.928 -15.457 4.525 1.00 2.52 H new ATOM 0 HG3 ARG A 22 4.984 -14.502 3.503 1.00 2.52 H new ATOM 0 HD2 ARG A 22 3.007 -14.902 2.222 1.00 2.26 H new ATOM 0 HD3 ARG A 22 4.242 -15.938 1.535 1.00 2.26 H new ATOM 0 HE ARG A 22 2.417 -17.071 3.609 1.00 3.04 H new ATOM 0 HH11 ARG A 22 3.352 -17.025 0.164 1.00 3.41 H new ATOM 0 HH12 ARG A 22 2.495 -18.537 -0.149 1.00 3.41 H new ATOM 0 HH21 ARG A 22 1.418 -18.992 3.111 1.00 4.94 H new ATOM 0 HH22 ARG A 22 1.441 -19.611 1.457 1.00 4.94 H new ATOM 356 N GLU A 23 7.220 -15.531 0.640 1.00 2.01 N ATOM 357 CA GLU A 23 7.185 -15.625 -0.834 1.00 3.05 C ATOM 358 C GLU A 23 8.603 -15.540 -1.421 1.00 2.94 C ATOM 359 O GLU A 23 9.016 -16.395 -2.203 1.00 3.74 O ATOM 360 CB GLU A 23 6.366 -14.472 -1.471 1.00 4.00 C ATOM 361 CG GLU A 23 5.021 -14.098 -0.837 1.00 5.26 C ATOM 362 CD GLU A 23 3.957 -15.189 -0.849 1.00 5.57 C ATOM 363 OE1 GLU A 23 4.229 -16.322 -1.284 1.00 5.40 O ATOM 364 OE2 GLU A 23 2.888 -14.945 -0.252 1.00 6.66 O ATOM 0 H GLU A 23 7.588 -14.639 0.971 1.00 2.01 H new ATOM 0 HA GLU A 23 6.720 -16.584 -1.062 1.00 3.05 H new ATOM 0 HB2 GLU A 23 6.993 -13.580 -1.471 1.00 4.00 H new ATOM 0 HB3 GLU A 23 6.181 -14.732 -2.513 1.00 4.00 H new ATOM 0 HG2 GLU A 23 5.198 -13.800 0.197 1.00 5.26 H new ATOM 0 HG3 GLU A 23 4.626 -13.225 -1.357 1.00 5.26 H new ATOM 371 N GLY A 24 9.347 -14.487 -1.049 1.00 2.86 N ATOM 372 CA GLY A 24 10.648 -14.142 -1.635 1.00 2.98 C ATOM 373 C GLY A 24 11.697 -13.845 -0.576 1.00 2.01 C ATOM 374 O GLY A 24 12.728 -14.507 -0.522 1.00 2.59 O ATOM 0 H GLY A 24 9.054 -13.840 -0.318 1.00 2.86 H new ATOM 0 HA2 GLY A 24 10.991 -14.965 -2.262 1.00 2.98 H new ATOM 0 HA3 GLY A 24 10.533 -13.273 -2.283 1.00 2.98 H new ATOM 377 N SER A 25 11.454 -12.855 0.282 1.00 1.78 N ATOM 378 CA SER A 25 12.345 -12.493 1.390 1.00 1.73 C ATOM 379 C SER A 25 11.622 -11.568 2.368 1.00 1.65 C ATOM 380 O SER A 25 10.676 -10.890 1.991 1.00 1.80 O ATOM 381 CB SER A 25 13.619 -11.822 0.858 1.00 2.33 C ATOM 382 OG SER A 25 14.499 -11.495 1.918 1.00 3.84 O ATOM 0 H SER A 25 10.620 -12.271 0.228 1.00 1.78 H new ATOM 0 HA SER A 25 12.631 -13.403 1.918 1.00 1.73 H new ATOM 0 HB2 SER A 25 14.120 -12.489 0.157 1.00 2.33 H new ATOM 0 HB3 SER A 25 13.356 -10.919 0.307 1.00 2.33 H new ATOM 0 HG SER A 25 15.304 -11.070 1.555 1.00 3.84 H new ATOM 388 N LYS A 26 12.049 -11.464 3.629 1.00 1.78 N ATOM 389 CA LYS A 26 11.271 -10.777 4.677 1.00 1.78 C ATOM 390 C LYS A 26 11.025 -9.266 4.438 1.00 1.70 C ATOM 391 O LYS A 26 10.205 -8.669 5.132 1.00 1.79 O ATOM 392 CB LYS A 26 11.878 -11.116 6.058 1.00 1.93 C ATOM 393 CG LYS A 26 11.827 -12.640 6.311 1.00 2.15 C ATOM 394 CD LYS A 26 12.121 -13.106 7.739 1.00 2.89 C ATOM 395 CE LYS A 26 13.502 -12.654 8.197 1.00 2.80 C ATOM 396 NZ LYS A 26 14.026 -13.495 9.292 1.00 3.61 N ATOM 0 H LYS A 26 12.935 -11.848 3.956 1.00 1.78 H new ATOM 0 HA LYS A 26 10.253 -11.165 4.639 1.00 1.78 H new ATOM 0 HB2 LYS A 26 12.910 -10.768 6.104 1.00 1.93 H new ATOM 0 HB3 LYS A 26 11.330 -10.593 6.841 1.00 1.93 H new ATOM 0 HG2 LYS A 26 10.836 -12.999 6.032 1.00 2.15 H new ATOM 0 HG3 LYS A 26 12.540 -13.121 5.642 1.00 2.15 H new ATOM 0 HD2 LYS A 26 11.364 -12.710 8.416 1.00 2.89 H new ATOM 0 HD3 LYS A 26 12.057 -14.193 7.789 1.00 2.89 H new ATOM 0 HE2 LYS A 26 14.192 -12.686 7.354 1.00 2.80 H new ATOM 0 HE3 LYS A 26 13.452 -11.617 8.529 1.00 2.80 H new ATOM 0 HZ1 LYS A 26 14.967 -13.153 9.573 1.00 3.61 H new ATOM 0 HZ2 LYS A 26 13.382 -13.445 10.107 1.00 3.61 H new ATOM 0 HZ3 LYS A 26 14.099 -14.481 8.968 1.00 3.61 H new ATOM 410 N LEU A 27 11.683 -8.665 3.435 1.00 1.64 N ATOM 411 CA LEU A 27 11.508 -7.265 3.000 1.00 1.65 C ATOM 412 C LEU A 27 11.252 -7.085 1.483 1.00 1.26 C ATOM 413 O LEU A 27 11.224 -5.952 1.009 1.00 1.09 O ATOM 414 CB LEU A 27 12.719 -6.448 3.471 1.00 2.21 C ATOM 415 CG LEU A 27 12.842 -6.359 5.006 1.00 3.76 C ATOM 416 CD1 LEU A 27 14.218 -5.787 5.327 1.00 4.08 C ATOM 417 CD2 LEU A 27 11.747 -5.498 5.656 1.00 4.87 C ATOM 0 H LEU A 27 12.381 -9.159 2.880 1.00 1.64 H new ATOM 0 HA LEU A 27 10.594 -6.896 3.465 1.00 1.65 H new ATOM 0 HB2 LEU A 27 13.628 -6.894 3.067 1.00 2.21 H new ATOM 0 HB3 LEU A 27 12.649 -5.440 3.061 1.00 2.21 H new ATOM 0 HG LEU A 27 12.716 -7.360 5.419 1.00 3.76 H new ATOM 0 HD11 LEU A 27 14.337 -5.711 6.408 1.00 4.08 H new ATOM 0 HD12 LEU A 27 14.988 -6.443 4.922 1.00 4.08 H new ATOM 0 HD13 LEU A 27 14.314 -4.797 4.881 1.00 4.08 H new ATOM 0 HD21 LEU A 27 11.893 -5.478 6.736 1.00 4.87 H new ATOM 0 HD22 LEU A 27 11.802 -4.483 5.264 1.00 4.87 H new ATOM 0 HD23 LEU A 27 10.769 -5.922 5.430 1.00 4.87 H new ATOM 429 N THR A 28 11.013 -8.171 0.734 1.00 1.27 N ATOM 430 CA THR A 28 10.584 -8.126 -0.691 1.00 1.14 C ATOM 431 C THR A 28 9.493 -9.140 -1.065 1.00 1.01 C ATOM 432 O THR A 28 9.409 -10.227 -0.499 1.00 1.10 O ATOM 433 CB THR A 28 11.758 -8.264 -1.671 1.00 1.30 C ATOM 434 OG1 THR A 28 12.433 -9.483 -1.475 1.00 1.45 O ATOM 435 CG2 THR A 28 12.780 -7.134 -1.566 1.00 1.46 C ATOM 0 H THR A 28 11.110 -9.120 1.095 1.00 1.27 H new ATOM 0 HA THR A 28 10.148 -7.132 -0.787 1.00 1.14 H new ATOM 0 HB THR A 28 11.308 -8.221 -2.663 1.00 1.30 H new ATOM 0 HG1 THR A 28 13.176 -9.551 -2.110 1.00 1.45 H new ATOM 0 HG21 THR A 28 13.580 -7.299 -2.288 1.00 1.46 H new ATOM 0 HG22 THR A 28 12.292 -6.182 -1.775 1.00 1.46 H new ATOM 0 HG23 THR A 28 13.198 -7.114 -0.560 1.00 1.46 H new ATOM 443 N LEU A 29 8.674 -8.789 -2.063 1.00 0.90 N ATOM 444 CA LEU A 29 7.601 -9.621 -2.643 1.00 0.77 C ATOM 445 C LEU A 29 7.326 -9.261 -4.106 1.00 0.78 C ATOM 446 O LEU A 29 7.639 -8.154 -4.550 1.00 0.81 O ATOM 447 CB LEU A 29 6.284 -9.548 -1.835 1.00 0.67 C ATOM 448 CG LEU A 29 5.439 -8.256 -1.952 1.00 0.62 C ATOM 449 CD1 LEU A 29 4.096 -8.424 -1.229 1.00 0.72 C ATOM 450 CD2 LEU A 29 6.135 -7.046 -1.328 1.00 0.93 C ATOM 0 H LEU A 29 8.740 -7.876 -2.513 1.00 0.90 H new ATOM 0 HA LEU A 29 7.970 -10.646 -2.594 1.00 0.77 H new ATOM 0 HB2 LEU A 29 5.658 -10.387 -2.138 1.00 0.67 H new ATOM 0 HB3 LEU A 29 6.527 -9.696 -0.783 1.00 0.67 H new ATOM 0 HG LEU A 29 5.298 -8.085 -3.019 1.00 0.62 H new ATOM 0 HD11 LEU A 29 3.516 -7.506 -1.322 1.00 0.72 H new ATOM 0 HD12 LEU A 29 3.543 -9.250 -1.676 1.00 0.72 H new ATOM 0 HD13 LEU A 29 4.274 -8.635 -0.175 1.00 0.72 H new ATOM 0 HD21 LEU A 29 5.501 -6.166 -1.436 1.00 0.93 H new ATOM 0 HD22 LEU A 29 6.315 -7.235 -0.270 1.00 0.93 H new ATOM 0 HD23 LEU A 29 7.086 -6.873 -1.832 1.00 0.93 H new ATOM 462 N SER A 30 6.680 -10.174 -4.831 1.00 0.87 N ATOM 463 CA SER A 30 6.226 -9.981 -6.209 1.00 0.92 C ATOM 464 C SER A 30 4.932 -9.158 -6.327 1.00 0.92 C ATOM 465 O SER A 30 4.095 -9.040 -5.425 1.00 0.94 O ATOM 466 CB SER A 30 6.059 -11.333 -6.934 1.00 1.19 C ATOM 467 OG SER A 30 5.725 -12.368 -6.031 1.00 2.14 O ATOM 0 H SER A 30 6.451 -11.098 -4.464 1.00 0.87 H new ATOM 0 HA SER A 30 7.011 -9.400 -6.694 1.00 0.92 H new ATOM 0 HB2 SER A 30 5.282 -11.246 -7.693 1.00 1.19 H new ATOM 0 HB3 SER A 30 6.984 -11.586 -7.452 1.00 1.19 H new ATOM 0 HG SER A 30 4.827 -12.212 -5.672 1.00 2.14 H new ATOM 473 N ARG A 31 4.758 -8.576 -7.514 1.00 0.98 N ATOM 474 CA ARG A 31 3.688 -7.653 -7.873 1.00 1.05 C ATOM 475 C ARG A 31 2.283 -8.232 -7.634 1.00 1.10 C ATOM 476 O ARG A 31 1.461 -7.556 -7.010 1.00 1.21 O ATOM 477 CB ARG A 31 3.940 -7.254 -9.337 1.00 1.38 C ATOM 478 CG ARG A 31 2.861 -6.352 -9.932 1.00 1.91 C ATOM 479 CD ARG A 31 2.835 -4.960 -9.307 1.00 2.63 C ATOM 480 NE ARG A 31 1.468 -4.410 -9.294 1.00 3.93 N ATOM 481 CZ ARG A 31 0.684 -4.219 -8.242 1.00 5.51 C ATOM 482 NH1 ARG A 31 0.972 -4.752 -7.081 1.00 6.51 N ATOM 483 NH2 ARG A 31 -0.405 -3.477 -8.330 1.00 6.51 N ATOM 0 H ARG A 31 5.396 -8.747 -8.291 1.00 0.98 H new ATOM 0 HA ARG A 31 3.706 -6.774 -7.228 1.00 1.05 H new ATOM 0 HB2 ARG A 31 4.901 -6.745 -9.403 1.00 1.38 H new ATOM 0 HB3 ARG A 31 4.016 -8.158 -9.941 1.00 1.38 H new ATOM 0 HG2 ARG A 31 3.025 -6.259 -11.006 1.00 1.91 H new ATOM 0 HG3 ARG A 31 1.887 -6.823 -9.798 1.00 1.91 H new ATOM 0 HD2 ARG A 31 3.221 -5.008 -8.289 1.00 2.63 H new ATOM 0 HD3 ARG A 31 3.493 -4.295 -9.866 1.00 2.63 H new ATOM 0 HE ARG A 31 1.080 -4.146 -10.199 1.00 3.93 H new ATOM 0 HH11 ARG A 31 1.810 -5.324 -6.976 1.00 6.51 H new ATOM 0 HH12 ARG A 31 0.358 -4.595 -6.282 1.00 6.51 H new ATOM 0 HH21 ARG A 31 -0.654 -3.040 -9.217 1.00 6.51 H new ATOM 0 HH22 ARG A 31 -0.997 -3.341 -7.511 1.00 6.51 H new ATOM 497 N LYS A 32 1.989 -9.444 -8.111 1.00 1.07 N ATOM 498 CA LYS A 32 0.709 -10.137 -7.894 1.00 1.11 C ATOM 499 C LYS A 32 0.290 -10.250 -6.397 1.00 1.07 C ATOM 500 O LYS A 32 -0.905 -10.146 -6.096 1.00 1.28 O ATOM 501 CB LYS A 32 0.779 -11.524 -8.570 1.00 1.20 C ATOM 502 CG LYS A 32 1.272 -11.619 -10.029 1.00 2.33 C ATOM 503 CD LYS A 32 0.284 -11.233 -11.143 1.00 2.72 C ATOM 504 CE LYS A 32 -0.121 -9.753 -11.128 1.00 3.73 C ATOM 505 NZ LYS A 32 -0.820 -9.354 -12.374 1.00 4.90 N ATOM 0 H LYS A 32 2.646 -9.986 -8.672 1.00 1.07 H new ATOM 0 HA LYS A 32 -0.075 -9.531 -8.349 1.00 1.11 H new ATOM 0 HB2 LYS A 32 1.427 -12.155 -7.962 1.00 1.20 H new ATOM 0 HB3 LYS A 32 -0.219 -11.961 -8.530 1.00 1.20 H new ATOM 0 HG2 LYS A 32 2.153 -10.985 -10.127 1.00 2.33 H new ATOM 0 HG3 LYS A 32 1.596 -12.644 -10.208 1.00 2.33 H new ATOM 0 HD2 LYS A 32 0.731 -11.468 -12.109 1.00 2.72 H new ATOM 0 HD3 LYS A 32 -0.612 -11.846 -11.049 1.00 2.72 H new ATOM 0 HE2 LYS A 32 -0.769 -9.563 -10.272 1.00 3.73 H new ATOM 0 HE3 LYS A 32 0.768 -9.136 -10.998 1.00 3.73 H new ATOM 0 HZ1 LYS A 32 -0.540 -8.387 -12.635 1.00 4.90 H new ATOM 0 HZ2 LYS A 32 -0.563 -10.008 -13.141 1.00 4.90 H new ATOM 0 HZ3 LYS A 32 -1.848 -9.387 -12.221 1.00 4.90 H new ATOM 519 N GLU A 33 1.251 -10.353 -5.477 1.00 0.84 N ATOM 520 CA GLU A 33 1.027 -10.526 -4.034 1.00 0.84 C ATOM 521 C GLU A 33 0.807 -9.171 -3.347 1.00 0.82 C ATOM 522 O GLU A 33 -0.179 -8.990 -2.629 1.00 0.83 O ATOM 523 CB GLU A 33 2.214 -11.285 -3.405 1.00 0.87 C ATOM 524 CG GLU A 33 2.318 -12.762 -3.823 1.00 1.93 C ATOM 525 CD GLU A 33 2.260 -12.932 -5.342 1.00 3.13 C ATOM 526 OE1 GLU A 33 3.185 -12.411 -6.010 1.00 4.52 O ATOM 527 OE2 GLU A 33 1.192 -13.325 -5.860 1.00 3.65 O ATOM 0 H GLU A 33 2.241 -10.318 -5.721 1.00 0.84 H new ATOM 0 HA GLU A 33 0.123 -11.117 -3.887 1.00 0.84 H new ATOM 0 HB2 GLU A 33 3.139 -10.777 -3.677 1.00 0.87 H new ATOM 0 HB3 GLU A 33 2.129 -11.232 -2.320 1.00 0.87 H new ATOM 0 HG2 GLU A 33 3.251 -13.181 -3.447 1.00 1.93 H new ATOM 0 HG3 GLU A 33 1.507 -13.327 -3.364 1.00 1.93 H new ATOM 534 N LEU A 34 1.615 -8.154 -3.685 1.00 0.84 N ATOM 535 CA LEU A 34 1.347 -6.755 -3.313 1.00 0.83 C ATOM 536 C LEU A 34 -0.061 -6.303 -3.727 1.00 0.90 C ATOM 537 O LEU A 34 -0.744 -5.575 -3.007 1.00 0.88 O ATOM 538 CB LEU A 34 2.415 -5.876 -3.984 1.00 0.93 C ATOM 539 CG LEU A 34 2.244 -4.364 -3.720 1.00 1.02 C ATOM 540 CD1 LEU A 34 2.480 -4.046 -2.236 1.00 1.14 C ATOM 541 CD2 LEU A 34 3.189 -3.585 -4.635 1.00 1.28 C ATOM 0 H LEU A 34 2.472 -8.278 -4.224 1.00 0.84 H new ATOM 0 HA LEU A 34 1.392 -6.660 -2.228 1.00 0.83 H new ATOM 0 HB2 LEU A 34 3.399 -6.186 -3.632 1.00 0.93 H new ATOM 0 HB3 LEU A 34 2.391 -6.051 -5.060 1.00 0.93 H new ATOM 0 HG LEU A 34 1.222 -4.060 -3.948 1.00 1.02 H new ATOM 0 HD11 LEU A 34 2.355 -2.976 -2.069 1.00 1.14 H new ATOM 0 HD12 LEU A 34 1.761 -4.595 -1.628 1.00 1.14 H new ATOM 0 HD13 LEU A 34 3.491 -4.341 -1.957 1.00 1.14 H new ATOM 0 HD21 LEU A 34 3.073 -2.517 -4.453 1.00 1.28 H new ATOM 0 HD22 LEU A 34 4.218 -3.878 -4.429 1.00 1.28 H new ATOM 0 HD23 LEU A 34 2.950 -3.804 -5.676 1.00 1.28 H new ATOM 553 N LYS A 35 -0.511 -6.714 -4.918 1.00 1.07 N ATOM 554 CA LYS A 35 -1.862 -6.487 -5.424 1.00 1.25 C ATOM 555 C LYS A 35 -2.942 -7.107 -4.520 1.00 1.16 C ATOM 556 O LYS A 35 -4.058 -6.594 -4.493 1.00 1.42 O ATOM 557 CB LYS A 35 -1.852 -6.985 -6.889 1.00 1.52 C ATOM 558 CG LYS A 35 -3.184 -7.282 -7.593 1.00 1.79 C ATOM 559 CD LYS A 35 -3.476 -8.777 -7.820 1.00 2.40 C ATOM 560 CE LYS A 35 -3.824 -9.466 -6.500 1.00 3.41 C ATOM 561 NZ LYS A 35 -3.890 -10.944 -6.580 1.00 4.70 N ATOM 0 H LYS A 35 0.076 -7.229 -5.574 1.00 1.07 H new ATOM 0 HA LYS A 35 -2.137 -5.432 -5.409 1.00 1.25 H new ATOM 0 HB2 LYS A 35 -1.326 -6.239 -7.485 1.00 1.52 H new ATOM 0 HB3 LYS A 35 -1.255 -7.896 -6.921 1.00 1.52 H new ATOM 0 HG2 LYS A 35 -3.994 -6.854 -7.003 1.00 1.79 H new ATOM 0 HG3 LYS A 35 -3.190 -6.775 -8.558 1.00 1.79 H new ATOM 0 HD2 LYS A 35 -4.301 -8.889 -8.523 1.00 2.40 H new ATOM 0 HD3 LYS A 35 -2.607 -9.258 -8.269 1.00 2.40 H new ATOM 0 HE2 LYS A 35 -3.082 -9.188 -5.752 1.00 3.41 H new ATOM 0 HE3 LYS A 35 -4.785 -9.090 -6.150 1.00 3.41 H new ATOM 0 HZ1 LYS A 35 -4.499 -11.306 -5.819 1.00 4.70 H new ATOM 0 HZ2 LYS A 35 -4.283 -11.225 -7.501 1.00 4.70 H new ATOM 0 HZ3 LYS A 35 -2.934 -11.340 -6.477 1.00 4.70 H new ATOM 575 N GLU A 36 -2.625 -8.179 -3.792 1.00 0.89 N ATOM 576 CA GLU A 36 -3.523 -8.813 -2.847 1.00 0.79 C ATOM 577 C GLU A 36 -3.515 -8.082 -1.495 1.00 0.70 C ATOM 578 O GLU A 36 -4.581 -7.661 -1.053 1.00 0.85 O ATOM 579 CB GLU A 36 -3.152 -10.299 -2.701 1.00 0.87 C ATOM 580 CG GLU A 36 -4.360 -11.058 -2.146 1.00 1.00 C ATOM 581 CD GLU A 36 -5.422 -11.437 -3.192 1.00 1.50 C ATOM 582 OE1 GLU A 36 -5.351 -10.937 -4.336 1.00 2.28 O ATOM 583 OE2 GLU A 36 -6.336 -12.208 -2.823 1.00 2.67 O ATOM 0 H GLU A 36 -1.714 -8.635 -3.850 1.00 0.89 H new ATOM 0 HA GLU A 36 -4.543 -8.751 -3.227 1.00 0.79 H new ATOM 0 HB2 GLU A 36 -2.859 -10.711 -3.666 1.00 0.87 H new ATOM 0 HB3 GLU A 36 -2.297 -10.411 -2.034 1.00 0.87 H new ATOM 0 HG2 GLU A 36 -4.007 -11.968 -1.661 1.00 1.00 H new ATOM 0 HG3 GLU A 36 -4.831 -10.448 -1.375 1.00 1.00 H new ATOM 590 N LEU A 37 -2.344 -7.861 -0.874 1.00 0.64 N ATOM 591 CA LEU A 37 -2.173 -7.183 0.431 1.00 0.64 C ATOM 592 C LEU A 37 -3.014 -5.899 0.546 1.00 0.69 C ATOM 593 O LEU A 37 -3.780 -5.749 1.499 1.00 0.77 O ATOM 594 CB LEU A 37 -0.661 -6.914 0.624 1.00 0.65 C ATOM 595 CG LEU A 37 -0.249 -5.838 1.657 1.00 0.72 C ATOM 596 CD1 LEU A 37 -0.766 -6.032 3.090 1.00 1.13 C ATOM 597 CD2 LEU A 37 1.282 -5.725 1.683 1.00 1.25 C ATOM 0 H LEU A 37 -1.456 -8.159 -1.278 1.00 0.64 H new ATOM 0 HA LEU A 37 -2.542 -7.827 1.229 1.00 0.64 H new ATOM 0 HB2 LEU A 37 -0.187 -7.853 0.910 1.00 0.65 H new ATOM 0 HB3 LEU A 37 -0.245 -6.628 -0.342 1.00 0.65 H new ATOM 0 HG LEU A 37 -0.731 -4.923 1.312 1.00 0.72 H new ATOM 0 HD11 LEU A 37 -0.411 -5.215 3.719 1.00 1.13 H new ATOM 0 HD12 LEU A 37 -1.856 -6.039 3.086 1.00 1.13 H new ATOM 0 HD13 LEU A 37 -0.399 -6.980 3.484 1.00 1.13 H new ATOM 0 HD21 LEU A 37 1.579 -4.968 2.409 1.00 1.25 H new ATOM 0 HD22 LEU A 37 1.713 -6.686 1.964 1.00 1.25 H new ATOM 0 HD23 LEU A 37 1.643 -5.440 0.695 1.00 1.25 H new ATOM 609 N ILE A 38 -2.909 -5.008 -0.444 1.00 0.72 N ATOM 610 CA ILE A 38 -3.604 -3.706 -0.467 1.00 0.84 C ATOM 611 C ILE A 38 -5.125 -3.843 -0.725 1.00 1.06 C ATOM 612 O ILE A 38 -5.846 -2.850 -0.783 1.00 1.72 O ATOM 613 CB ILE A 38 -2.900 -2.740 -1.465 1.00 0.86 C ATOM 614 CG1 ILE A 38 -1.354 -2.704 -1.330 1.00 1.03 C ATOM 615 CG2 ILE A 38 -3.401 -1.284 -1.304 1.00 1.11 C ATOM 616 CD1 ILE A 38 -0.710 -2.292 -2.655 1.00 1.27 C ATOM 0 H ILE A 38 -2.330 -5.168 -1.268 1.00 0.72 H new ATOM 0 HA ILE A 38 -3.530 -3.266 0.528 1.00 0.84 H new ATOM 0 HB ILE A 38 -3.159 -3.144 -2.444 1.00 0.86 H new ATOM 0 HG12 ILE A 38 -1.068 -2.003 -0.546 1.00 1.03 H new ATOM 0 HG13 ILE A 38 -0.986 -3.685 -1.030 1.00 1.03 H new ATOM 0 HG21 ILE A 38 -2.886 -0.641 -2.018 1.00 1.11 H new ATOM 0 HG22 ILE A 38 -4.474 -1.246 -1.490 1.00 1.11 H new ATOM 0 HG23 ILE A 38 -3.196 -0.939 -0.291 1.00 1.11 H new ATOM 0 HD11 ILE A 38 0.374 -2.272 -2.542 1.00 1.27 H new ATOM 0 HD12 ILE A 38 -0.981 -3.009 -3.430 1.00 1.27 H new ATOM 0 HD13 ILE A 38 -1.064 -1.301 -2.939 1.00 1.27 H new ATOM 628 N LYS A 39 -5.648 -5.051 -0.952 1.00 0.82 N ATOM 629 CA LYS A 39 -7.069 -5.395 -0.903 1.00 0.89 C ATOM 630 C LYS A 39 -7.488 -6.268 0.302 1.00 0.88 C ATOM 631 O LYS A 39 -8.677 -6.319 0.617 1.00 1.04 O ATOM 632 CB LYS A 39 -7.410 -6.096 -2.225 1.00 0.97 C ATOM 633 CG LYS A 39 -7.806 -5.090 -3.312 1.00 1.30 C ATOM 634 CD LYS A 39 -6.626 -4.555 -4.140 1.00 3.23 C ATOM 635 CE LYS A 39 -6.861 -3.091 -4.520 1.00 4.14 C ATOM 636 NZ LYS A 39 -6.364 -2.176 -3.464 1.00 5.43 N ATOM 0 H LYS A 39 -5.063 -5.853 -1.186 1.00 0.82 H new ATOM 0 HA LYS A 39 -7.631 -4.471 -0.767 1.00 0.89 H new ATOM 0 HB2 LYS A 39 -6.551 -6.677 -2.562 1.00 0.97 H new ATOM 0 HB3 LYS A 39 -8.227 -6.799 -2.064 1.00 0.97 H new ATOM 0 HG2 LYS A 39 -8.522 -5.563 -3.985 1.00 1.30 H new ATOM 0 HG3 LYS A 39 -8.317 -4.249 -2.843 1.00 1.30 H new ATOM 0 HD2 LYS A 39 -5.702 -4.645 -3.569 1.00 3.23 H new ATOM 0 HD3 LYS A 39 -6.504 -5.156 -5.041 1.00 3.23 H new ATOM 0 HE2 LYS A 39 -6.357 -2.872 -5.461 1.00 4.14 H new ATOM 0 HE3 LYS A 39 -7.926 -2.921 -4.681 1.00 4.14 H new ATOM 0 HZ1 LYS A 39 -6.937 -1.308 -3.459 1.00 5.43 H new ATOM 0 HZ2 LYS A 39 -6.436 -2.643 -2.538 1.00 5.43 H new ATOM 0 HZ3 LYS A 39 -5.370 -1.934 -3.654 1.00 5.43 H new ATOM 650 N LYS A 40 -6.557 -6.958 0.970 1.00 0.83 N ATOM 651 CA LYS A 40 -6.816 -7.748 2.185 1.00 0.90 C ATOM 652 C LYS A 40 -6.830 -6.846 3.419 1.00 1.02 C ATOM 653 O LYS A 40 -7.869 -6.600 4.019 1.00 1.46 O ATOM 654 CB LYS A 40 -5.747 -8.850 2.349 1.00 0.87 C ATOM 655 CG LYS A 40 -5.717 -9.869 1.220 1.00 1.20 C ATOM 656 CD LYS A 40 -6.900 -10.833 1.199 1.00 1.17 C ATOM 657 CE LYS A 40 -6.741 -11.583 -0.118 1.00 1.64 C ATOM 658 NZ LYS A 40 -7.831 -12.482 -0.547 1.00 2.18 N ATOM 0 H LYS A 40 -5.580 -6.985 0.677 1.00 0.83 H new ATOM 0 HA LYS A 40 -7.794 -8.218 2.085 1.00 0.90 H new ATOM 0 HB2 LYS A 40 -4.766 -8.380 2.424 1.00 0.87 H new ATOM 0 HB3 LYS A 40 -5.923 -9.373 3.289 1.00 0.87 H new ATOM 0 HG2 LYS A 40 -5.683 -9.337 0.269 1.00 1.20 H new ATOM 0 HG3 LYS A 40 -4.796 -10.447 1.295 1.00 1.20 H new ATOM 0 HD2 LYS A 40 -6.876 -11.513 2.051 1.00 1.17 H new ATOM 0 HD3 LYS A 40 -7.850 -10.300 1.243 1.00 1.17 H new ATOM 0 HE2 LYS A 40 -6.590 -10.844 -0.905 1.00 1.64 H new ATOM 0 HE3 LYS A 40 -5.827 -12.174 -0.056 1.00 1.64 H new ATOM 0 HZ1 LYS A 40 -7.709 -12.720 -1.552 1.00 2.18 H new ATOM 0 HZ2 LYS A 40 -7.806 -13.353 0.020 1.00 2.18 H new ATOM 0 HZ3 LYS A 40 -8.746 -12.007 -0.412 1.00 2.18 H new ATOM 672 N GLU A 41 -5.647 -6.348 3.773 1.00 0.89 N ATOM 673 CA GLU A 41 -5.431 -5.552 4.987 1.00 1.00 C ATOM 674 C GLU A 41 -5.867 -4.090 4.815 1.00 1.10 C ATOM 675 O GLU A 41 -6.001 -3.373 5.807 1.00 1.41 O ATOM 676 CB GLU A 41 -3.991 -5.696 5.512 1.00 1.17 C ATOM 677 CG GLU A 41 -3.656 -7.169 5.801 1.00 2.18 C ATOM 678 CD GLU A 41 -2.681 -7.318 6.965 1.00 3.19 C ATOM 679 OE1 GLU A 41 -3.106 -7.345 8.138 1.00 4.11 O ATOM 680 OE2 GLU A 41 -1.462 -7.443 6.727 1.00 3.96 O ATOM 0 H GLU A 41 -4.800 -6.485 3.221 1.00 0.89 H new ATOM 0 HA GLU A 41 -6.082 -5.961 5.760 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -3.291 -5.297 4.778 1.00 1.17 H new ATOM 0 HB3 GLU A 41 -3.871 -5.107 6.421 1.00 1.17 H new ATOM 0 HG2 GLU A 41 -4.574 -7.712 6.026 1.00 2.18 H new ATOM 0 HG3 GLU A 41 -3.227 -7.625 4.909 1.00 2.18 H new ATOM 687 N LEU A 42 -6.216 -3.675 3.589 1.00 1.08 N ATOM 688 CA LEU A 42 -7.183 -2.595 3.388 1.00 1.17 C ATOM 689 C LEU A 42 -8.293 -3.004 2.405 1.00 1.39 C ATOM 690 O LEU A 42 -8.076 -3.072 1.194 1.00 1.90 O ATOM 691 CB LEU A 42 -6.460 -1.289 2.992 1.00 1.08 C ATOM 692 CG LEU A 42 -6.817 -0.115 3.925 1.00 1.30 C ATOM 693 CD1 LEU A 42 -5.928 1.090 3.591 1.00 1.52 C ATOM 694 CD2 LEU A 42 -8.301 0.283 3.822 1.00 2.34 C ATOM 0 H LEU A 42 -5.843 -4.071 2.727 1.00 1.08 H new ATOM 0 HA LEU A 42 -7.690 -2.398 4.332 1.00 1.17 H new ATOM 0 HB2 LEU A 42 -5.383 -1.452 3.014 1.00 1.08 H new ATOM 0 HB3 LEU A 42 -6.722 -1.028 1.967 1.00 1.08 H new ATOM 0 HG LEU A 42 -6.641 -0.440 4.950 1.00 1.30 H new ATOM 0 HD11 LEU A 42 -6.179 1.921 4.250 1.00 1.52 H new ATOM 0 HD12 LEU A 42 -4.881 0.820 3.731 1.00 1.52 H new ATOM 0 HD13 LEU A 42 -6.091 1.386 2.555 1.00 1.52 H new ATOM 0 HD21 LEU A 42 -8.503 1.114 4.498 1.00 2.34 H new ATOM 0 HD22 LEU A 42 -8.527 0.584 2.799 1.00 2.34 H new ATOM 0 HD23 LEU A 42 -8.926 -0.567 4.096 1.00 2.34 H new ATOM 706 N CYS A 43 -9.515 -3.212 2.909 1.00 1.71 N ATOM 707 CA CYS A 43 -10.712 -3.245 2.063 1.00 1.88 C ATOM 708 C CYS A 43 -10.995 -1.832 1.518 1.00 1.95 C ATOM 709 O CYS A 43 -11.568 -0.972 2.186 1.00 2.49 O ATOM 710 CB CYS A 43 -11.901 -3.855 2.823 1.00 2.35 C ATOM 711 SG CYS A 43 -13.354 -3.854 1.732 1.00 3.01 S ATOM 0 H CYS A 43 -9.700 -3.360 3.901 1.00 1.71 H new ATOM 0 HA CYS A 43 -10.544 -3.895 1.204 1.00 1.88 H new ATOM 0 HB2 CYS A 43 -11.666 -4.872 3.138 1.00 2.35 H new ATOM 0 HB3 CYS A 43 -12.107 -3.281 3.726 1.00 2.35 H new ATOM 0 HG CYS A 43 -14.369 -4.369 2.360 1.00 3.01 H new ATOM 774 N LYS A 48 -13.366 3.239 -2.544 1.00 2.38 N ATOM 775 CA LYS A 48 -12.709 3.616 -3.797 1.00 2.51 C ATOM 776 C LYS A 48 -12.857 2.541 -4.902 1.00 2.98 C ATOM 777 O LYS A 48 -13.430 1.474 -4.699 1.00 3.63 O ATOM 778 CB LYS A 48 -11.237 3.906 -3.449 1.00 2.73 C ATOM 779 CG LYS A 48 -11.016 5.184 -2.629 1.00 2.84 C ATOM 780 CD LYS A 48 -11.462 6.488 -3.323 1.00 3.30 C ATOM 781 CE LYS A 48 -10.755 6.821 -4.649 1.00 4.43 C ATOM 782 NZ LYS A 48 -9.379 7.359 -4.502 1.00 5.59 N ATOM 0 HA LYS A 48 -13.185 4.499 -4.223 1.00 2.51 H new ATOM 0 HB2 LYS A 48 -10.835 3.059 -2.893 1.00 2.73 H new ATOM 0 HB3 LYS A 48 -10.666 3.980 -4.375 1.00 2.73 H new ATOM 0 HG2 LYS A 48 -11.553 5.090 -1.685 1.00 2.84 H new ATOM 0 HG3 LYS A 48 -9.956 5.263 -2.386 1.00 2.84 H new ATOM 0 HD2 LYS A 48 -12.534 6.428 -3.511 1.00 3.30 H new ATOM 0 HD3 LYS A 48 -11.305 7.316 -2.632 1.00 3.30 H new ATOM 0 HE2 LYS A 48 -10.714 5.919 -5.259 1.00 4.43 H new ATOM 0 HE3 LYS A 48 -11.358 7.547 -5.194 1.00 4.43 H new ATOM 0 HZ1 LYS A 48 -8.835 7.163 -5.367 1.00 5.59 H new ATOM 0 HZ2 LYS A 48 -9.423 8.386 -4.346 1.00 5.59 H new ATOM 0 HZ3 LYS A 48 -8.914 6.905 -3.690 1.00 5.59 H new ATOM 796 N GLU A 49 -12.373 2.866 -6.094 1.00 3.21 N ATOM 797 CA GLU A 49 -12.858 2.372 -7.384 1.00 3.37 C ATOM 798 C GLU A 49 -11.773 2.591 -8.471 1.00 3.03 C ATOM 799 O GLU A 49 -10.589 2.415 -8.204 1.00 3.38 O ATOM 800 CB GLU A 49 -14.226 3.038 -7.689 1.00 3.73 C ATOM 801 CG GLU A 49 -14.364 4.523 -7.307 1.00 3.93 C ATOM 802 CD GLU A 49 -13.154 5.388 -7.659 1.00 4.58 C ATOM 803 OE1 GLU A 49 -13.074 5.908 -8.798 1.00 5.00 O ATOM 804 OE2 GLU A 49 -12.227 5.476 -6.825 1.00 5.36 O ATOM 0 H GLU A 49 -11.592 3.514 -6.196 1.00 3.21 H new ATOM 0 HA GLU A 49 -13.035 1.297 -7.365 1.00 3.37 H new ATOM 0 HB2 GLU A 49 -14.423 2.940 -8.756 1.00 3.73 H new ATOM 0 HB3 GLU A 49 -15.003 2.478 -7.168 1.00 3.73 H new ATOM 0 HG2 GLU A 49 -15.243 4.932 -7.805 1.00 3.93 H new ATOM 0 HG3 GLU A 49 -14.544 4.593 -6.234 1.00 3.93 H new ATOM 811 N SER A 50 -12.148 3.017 -9.678 1.00 2.89 N ATOM 812 CA SER A 50 -11.259 3.528 -10.736 1.00 2.57 C ATOM 813 C SER A 50 -10.123 4.431 -10.227 1.00 2.08 C ATOM 814 O SER A 50 -8.969 4.273 -10.608 1.00 3.08 O ATOM 815 CB SER A 50 -12.122 4.318 -11.743 1.00 2.80 C ATOM 816 OG SER A 50 -13.334 4.833 -11.185 1.00 2.87 O ATOM 0 H SER A 50 -13.127 3.017 -9.964 1.00 2.89 H new ATOM 0 HA SER A 50 -10.773 2.665 -11.191 1.00 2.57 H new ATOM 0 HB2 SER A 50 -11.535 5.146 -12.139 1.00 2.80 H new ATOM 0 HB3 SER A 50 -12.367 3.670 -12.584 1.00 2.80 H new ATOM 0 HG SER A 50 -13.121 5.489 -10.489 1.00 2.87 H new ATOM 822 N SER A 51 -10.419 5.343 -9.306 1.00 1.91 N ATOM 823 CA SER A 51 -9.491 6.321 -8.739 1.00 2.20 C ATOM 824 C SER A 51 -8.611 5.729 -7.617 1.00 2.23 C ATOM 825 O SER A 51 -8.028 6.473 -6.821 1.00 3.48 O ATOM 826 CB SER A 51 -10.263 7.560 -8.242 1.00 2.99 C ATOM 827 OG SER A 51 -11.357 7.918 -9.074 1.00 4.02 O ATOM 0 H SER A 51 -11.357 5.426 -8.915 1.00 1.91 H new ATOM 0 HA SER A 51 -8.810 6.621 -9.536 1.00 2.20 H new ATOM 0 HB2 SER A 51 -10.631 7.369 -7.234 1.00 2.99 H new ATOM 0 HB3 SER A 51 -9.576 8.404 -8.176 1.00 2.99 H new ATOM 0 HG SER A 51 -12.164 7.452 -8.771 1.00 4.02 H new ATOM 833 N ILE A 52 -8.556 4.393 -7.504 1.00 1.48 N ATOM 834 CA ILE A 52 -7.395 3.632 -6.995 1.00 1.29 C ATOM 835 C ILE A 52 -6.943 2.495 -7.922 1.00 1.13 C ATOM 836 O ILE A 52 -5.807 2.041 -7.781 1.00 1.32 O ATOM 837 CB ILE A 52 -7.601 3.098 -5.557 1.00 1.53 C ATOM 838 CG1 ILE A 52 -8.727 2.057 -5.326 1.00 1.86 C ATOM 839 CG2 ILE A 52 -7.815 4.281 -4.605 1.00 2.06 C ATOM 840 CD1 ILE A 52 -8.385 0.612 -5.710 1.00 1.88 C ATOM 0 H ILE A 52 -9.336 3.792 -7.770 1.00 1.48 H new ATOM 0 HA ILE A 52 -6.591 4.368 -6.970 1.00 1.29 H new ATOM 0 HB ILE A 52 -6.685 2.541 -5.358 1.00 1.53 H new ATOM 0 HG12 ILE A 52 -9.005 2.077 -4.272 1.00 1.86 H new ATOM 0 HG13 ILE A 52 -9.605 2.366 -5.893 1.00 1.86 H new ATOM 0 HG21 ILE A 52 -7.961 3.910 -3.591 1.00 2.06 H new ATOM 0 HG22 ILE A 52 -6.941 4.932 -4.631 1.00 2.06 H new ATOM 0 HG23 ILE A 52 -8.696 4.843 -4.916 1.00 2.06 H new ATOM 0 HD11 ILE A 52 -9.242 -0.031 -5.508 1.00 1.88 H new ATOM 0 HD12 ILE A 52 -8.139 0.566 -6.771 1.00 1.88 H new ATOM 0 HD13 ILE A 52 -7.530 0.273 -5.125 1.00 1.88 H new ATOM 852 N ASP A 53 -7.790 2.003 -8.830 1.00 1.07 N ATOM 853 CA ASP A 53 -7.419 0.951 -9.777 1.00 1.26 C ATOM 854 C ASP A 53 -6.488 1.468 -10.892 1.00 1.21 C ATOM 855 O ASP A 53 -5.705 0.677 -11.422 1.00 1.45 O ATOM 856 CB ASP A 53 -8.680 0.264 -10.316 1.00 1.66 C ATOM 857 CG ASP A 53 -8.383 -1.059 -11.031 1.00 2.51 C ATOM 858 OD1 ASP A 53 -7.592 -1.898 -10.522 1.00 3.36 O ATOM 859 OD2 ASP A 53 -8.980 -1.302 -12.103 1.00 3.10 O ATOM 0 H ASP A 53 -8.753 2.324 -8.928 1.00 1.07 H new ATOM 0 HA ASP A 53 -6.834 0.199 -9.247 1.00 1.26 H new ATOM 0 HB2 ASP A 53 -9.367 0.078 -9.490 1.00 1.66 H new ATOM 0 HB3 ASP A 53 -9.187 0.938 -11.007 1.00 1.66 H new ATOM 864 N ASP A 54 -6.471 2.783 -11.158 1.00 1.22 N ATOM 865 CA ASP A 54 -5.371 3.465 -11.860 1.00 1.62 C ATOM 866 C ASP A 54 -4.024 3.097 -11.231 1.00 1.51 C ATOM 867 O ASP A 54 -3.176 2.496 -11.893 1.00 1.56 O ATOM 868 CB ASP A 54 -5.552 4.995 -11.820 1.00 2.16 C ATOM 869 CG ASP A 54 -4.299 5.708 -12.361 1.00 3.00 C ATOM 870 OD1 ASP A 54 -4.132 5.727 -13.601 1.00 2.88 O ATOM 871 OD2 ASP A 54 -3.478 6.173 -11.534 1.00 4.45 O ATOM 0 H ASP A 54 -7.229 3.410 -10.889 1.00 1.22 H new ATOM 0 HA ASP A 54 -5.388 3.136 -12.899 1.00 1.62 H new ATOM 0 HB2 ASP A 54 -6.422 5.278 -12.413 1.00 2.16 H new ATOM 0 HB3 ASP A 54 -5.745 5.316 -10.797 1.00 2.16 H new ATOM 876 N LEU A 55 -3.840 3.383 -9.938 1.00 1.44 N ATOM 877 CA LEU A 55 -2.603 3.090 -9.210 1.00 1.46 C ATOM 878 C LEU A 55 -2.279 1.593 -9.280 1.00 1.47 C ATOM 879 O LEU A 55 -1.135 1.223 -9.561 1.00 1.70 O ATOM 880 CB LEU A 55 -2.704 3.576 -7.753 1.00 1.30 C ATOM 881 CG LEU A 55 -2.986 5.083 -7.581 1.00 1.49 C ATOM 882 CD1 LEU A 55 -3.220 5.390 -6.093 1.00 1.57 C ATOM 883 CD2 LEU A 55 -1.831 5.945 -8.108 1.00 1.83 C ATOM 0 H LEU A 55 -4.554 3.829 -9.362 1.00 1.44 H new ATOM 0 HA LEU A 55 -1.783 3.630 -9.684 1.00 1.46 H new ATOM 0 HB2 LEU A 55 -3.495 3.016 -7.254 1.00 1.30 H new ATOM 0 HB3 LEU A 55 -1.772 3.336 -7.242 1.00 1.30 H new ATOM 0 HG LEU A 55 -3.875 5.327 -8.163 1.00 1.49 H new ATOM 0 HD11 LEU A 55 -3.420 6.454 -5.968 1.00 1.57 H new ATOM 0 HD12 LEU A 55 -4.074 4.816 -5.733 1.00 1.57 H new ATOM 0 HD13 LEU A 55 -2.333 5.118 -5.521 1.00 1.57 H new ATOM 0 HD21 LEU A 55 -2.070 6.999 -7.968 1.00 1.83 H new ATOM 0 HD22 LEU A 55 -0.919 5.704 -7.562 1.00 1.83 H new ATOM 0 HD23 LEU A 55 -1.682 5.745 -9.169 1.00 1.83 H new ATOM 895 N MET A 56 -3.284 0.725 -9.091 1.00 1.35 N ATOM 896 CA MET A 56 -3.106 -0.733 -9.161 1.00 1.55 C ATOM 897 C MET A 56 -2.494 -1.168 -10.498 1.00 1.89 C ATOM 898 O MET A 56 -1.494 -1.894 -10.478 1.00 2.30 O ATOM 899 CB MET A 56 -4.429 -1.473 -8.918 1.00 1.49 C ATOM 900 CG MET A 56 -4.930 -1.369 -7.468 1.00 1.36 C ATOM 901 SD MET A 56 -3.924 -2.206 -6.200 1.00 2.12 S ATOM 902 CE MET A 56 -3.992 -3.914 -6.794 1.00 2.38 C ATOM 0 H MET A 56 -4.241 1.013 -8.886 1.00 1.35 H new ATOM 0 HA MET A 56 -2.410 -1.002 -8.367 1.00 1.55 H new ATOM 0 HB2 MET A 56 -5.190 -1.071 -9.587 1.00 1.49 H new ATOM 0 HB3 MET A 56 -4.301 -2.524 -9.176 1.00 1.49 H new ATOM 0 HG2 MET A 56 -5.000 -0.313 -7.206 1.00 1.36 H new ATOM 0 HG3 MET A 56 -5.940 -1.776 -7.426 1.00 1.36 H new ATOM 0 HE1 MET A 56 -4.207 -4.581 -5.959 1.00 2.38 H new ATOM 0 HE2 MET A 56 -4.777 -4.007 -7.545 1.00 2.38 H new ATOM 0 HE3 MET A 56 -3.033 -4.184 -7.236 1.00 2.38 H new ATOM 912 N LYS A 57 -3.030 -0.701 -11.632 1.00 1.80 N ATOM 913 CA LYS A 57 -2.460 -0.909 -12.978 1.00 2.17 C ATOM 914 C LYS A 57 -1.187 -0.086 -13.226 1.00 2.40 C ATOM 915 O LYS A 57 -0.378 -0.425 -14.090 1.00 2.85 O ATOM 916 CB LYS A 57 -3.505 -0.561 -14.056 1.00 2.11 C ATOM 917 CG LYS A 57 -4.448 -1.721 -14.392 1.00 2.00 C ATOM 918 CD LYS A 57 -5.563 -1.928 -13.364 1.00 2.65 C ATOM 919 CE LYS A 57 -6.337 -3.200 -13.727 1.00 3.18 C ATOM 920 NZ LYS A 57 -7.502 -3.385 -12.838 1.00 4.20 N ATOM 0 H LYS A 57 -3.892 -0.155 -11.645 1.00 1.80 H new ATOM 0 HA LYS A 57 -2.185 -1.962 -13.037 1.00 2.17 H new ATOM 0 HB2 LYS A 57 -4.096 0.290 -13.717 1.00 2.11 H new ATOM 0 HB3 LYS A 57 -2.989 -0.249 -14.964 1.00 2.11 H new ATOM 0 HG2 LYS A 57 -4.896 -1.541 -15.369 1.00 2.00 H new ATOM 0 HG3 LYS A 57 -3.866 -2.639 -14.472 1.00 2.00 H new ATOM 0 HD2 LYS A 57 -5.142 -2.015 -12.362 1.00 2.65 H new ATOM 0 HD3 LYS A 57 -6.233 -1.068 -13.355 1.00 2.65 H new ATOM 0 HE2 LYS A 57 -6.671 -3.143 -14.763 1.00 3.18 H new ATOM 0 HE3 LYS A 57 -5.678 -4.065 -13.652 1.00 3.18 H new ATOM 0 HZ1 LYS A 57 -7.888 -4.342 -12.966 1.00 4.20 H new ATOM 0 HZ2 LYS A 57 -7.207 -3.260 -11.849 1.00 4.20 H new ATOM 0 HZ3 LYS A 57 -8.233 -2.683 -13.073 1.00 4.20 H new ATOM 934 N SER A 58 -0.954 0.968 -12.457 1.00 2.25 N ATOM 935 CA SER A 58 0.260 1.773 -12.574 1.00 2.59 C ATOM 936 C SER A 58 1.491 0.984 -12.101 1.00 2.80 C ATOM 937 O SER A 58 2.548 1.078 -12.731 1.00 3.10 O ATOM 938 CB SER A 58 0.106 3.130 -11.883 1.00 2.51 C ATOM 939 OG SER A 58 0.837 4.110 -12.598 1.00 3.06 O ATOM 0 H SER A 58 -1.598 1.291 -11.735 1.00 2.25 H new ATOM 0 HA SER A 58 0.424 1.996 -13.628 1.00 2.59 H new ATOM 0 HB2 SER A 58 -0.947 3.409 -11.836 1.00 2.51 H new ATOM 0 HB3 SER A 58 0.466 3.070 -10.856 1.00 2.51 H new ATOM 0 HG SER A 58 0.737 4.979 -12.157 1.00 3.06 H new ATOM 945 N LEU A 59 1.318 0.119 -11.088 1.00 2.70 N ATOM 946 CA LEU A 59 2.289 -0.917 -10.708 1.00 2.89 C ATOM 947 C LEU A 59 2.151 -2.223 -11.510 1.00 2.87 C ATOM 948 O LEU A 59 3.159 -2.840 -11.847 1.00 2.95 O ATOM 949 CB LEU A 59 2.118 -1.226 -9.219 1.00 3.03 C ATOM 950 CG LEU A 59 2.404 -0.106 -8.207 1.00 3.07 C ATOM 951 CD1 LEU A 59 2.262 -0.758 -6.827 1.00 3.14 C ATOM 952 CD2 LEU A 59 3.794 0.509 -8.393 1.00 3.18 C ATOM 0 H LEU A 59 0.484 0.121 -10.501 1.00 2.70 H new ATOM 0 HA LEU A 59 3.279 -0.520 -10.930 1.00 2.89 H new ATOM 0 HB2 LEU A 59 1.092 -1.560 -9.064 1.00 3.03 H new ATOM 0 HB3 LEU A 59 2.768 -2.067 -8.977 1.00 3.03 H new ATOM 0 HG LEU A 59 1.710 0.724 -8.339 1.00 3.07 H new ATOM 0 HD11 LEU A 59 2.453 -0.015 -6.052 1.00 3.14 H new ATOM 0 HD12 LEU A 59 1.252 -1.150 -6.712 1.00 3.14 H new ATOM 0 HD13 LEU A 59 2.980 -1.572 -6.734 1.00 3.14 H new ATOM 0 HD21 LEU A 59 3.946 1.295 -7.653 1.00 3.18 H new ATOM 0 HD22 LEU A 59 4.553 -0.262 -8.264 1.00 3.18 H new ATOM 0 HD23 LEU A 59 3.873 0.933 -9.394 1.00 3.18 H new ATOM 964 N ASP A 60 0.930 -2.714 -11.771 1.00 2.72 N ATOM 965 CA ASP A 60 0.717 -3.992 -12.486 1.00 2.76 C ATOM 966 C ASP A 60 1.056 -3.906 -13.990 1.00 2.63 C ATOM 967 O ASP A 60 1.048 -4.914 -14.679 1.00 2.63 O ATOM 968 CB ASP A 60 -0.685 -4.566 -12.191 1.00 2.63 C ATOM 969 CG ASP A 60 -0.729 -6.103 -12.214 1.00 3.05 C ATOM 970 OD1 ASP A 60 0.130 -6.733 -11.558 1.00 4.38 O ATOM 971 OD2 ASP A 60 -1.677 -6.704 -12.764 1.00 2.78 O ATOM 0 H ASP A 60 0.066 -2.245 -11.497 1.00 2.72 H new ATOM 0 HA ASP A 60 1.434 -4.712 -12.092 1.00 2.76 H new ATOM 0 HB2 ASP A 60 -1.016 -4.214 -11.214 1.00 2.63 H new ATOM 0 HB3 ASP A 60 -1.391 -4.178 -12.925 1.00 2.63 H new ATOM 976 N LYS A 61 1.439 -2.706 -14.439 1.00 2.63 N ATOM 977 CA LYS A 61 2.041 -2.315 -15.717 1.00 2.78 C ATOM 978 C LYS A 61 2.905 -3.398 -16.398 1.00 2.44 C ATOM 979 O LYS A 61 2.724 -3.647 -17.583 1.00 2.51 O ATOM 980 CB LYS A 61 2.891 -1.074 -15.372 1.00 3.06 C ATOM 981 CG LYS A 61 3.377 -0.220 -16.550 1.00 3.60 C ATOM 982 CD LYS A 61 2.315 0.707 -17.158 1.00 3.80 C ATOM 983 CE LYS A 61 1.586 1.626 -16.161 1.00 4.30 C ATOM 984 NZ LYS A 61 2.491 2.361 -15.231 1.00 5.37 N ATOM 0 H LYS A 61 1.319 -1.888 -13.842 1.00 2.63 H new ATOM 0 HA LYS A 61 1.256 -2.131 -16.451 1.00 2.78 H new ATOM 0 HB2 LYS A 61 2.307 -0.436 -14.708 1.00 3.06 H new ATOM 0 HB3 LYS A 61 3.764 -1.406 -14.810 1.00 3.06 H new ATOM 0 HG2 LYS A 61 4.220 0.386 -16.217 1.00 3.60 H new ATOM 0 HG3 LYS A 61 3.750 -0.883 -17.331 1.00 3.60 H new ATOM 0 HD2 LYS A 61 2.792 1.329 -17.916 1.00 3.80 H new ATOM 0 HD3 LYS A 61 1.573 0.094 -17.669 1.00 3.80 H new ATOM 0 HE2 LYS A 61 0.992 2.350 -16.719 1.00 4.30 H new ATOM 0 HE3 LYS A 61 0.890 1.027 -15.574 1.00 4.30 H new ATOM 0 HZ1 LYS A 61 2.089 3.298 -15.024 1.00 5.37 H new ATOM 0 HZ2 LYS A 61 2.591 1.823 -14.346 1.00 5.37 H new ATOM 0 HZ3 LYS A 61 3.425 2.475 -15.674 1.00 5.37 H new ATOM 998 N ASN A 62 3.821 -4.018 -15.643 1.00 2.31 N ATOM 999 CA ASN A 62 4.630 -5.167 -16.083 1.00 2.20 C ATOM 1000 C ASN A 62 4.046 -6.497 -15.566 1.00 2.26 C ATOM 1001 O ASN A 62 3.939 -7.458 -16.317 1.00 3.19 O ATOM 1002 CB ASN A 62 6.073 -4.999 -15.579 1.00 2.04 C ATOM 1003 CG ASN A 62 6.793 -3.795 -16.175 1.00 2.52 C ATOM 1004 OD1 ASN A 62 6.571 -3.391 -17.304 1.00 2.81 O ATOM 1005 ND2 ASN A 62 7.671 -3.166 -15.417 1.00 3.67 N ATOM 0 H ASN A 62 4.027 -3.729 -14.686 1.00 2.31 H new ATOM 0 HA ASN A 62 4.618 -5.198 -17.173 1.00 2.20 H new ATOM 0 HB2 ASN A 62 6.061 -4.903 -14.493 1.00 2.04 H new ATOM 0 HB3 ASN A 62 6.638 -5.901 -15.813 1.00 2.04 H new ATOM 0 HD21 ASN A 62 8.160 -2.346 -15.776 1.00 3.67 H new ATOM 0 HD22 ASN A 62 7.861 -3.500 -14.472 1.00 3.67 H new ATOM 1012 N SER A 63 3.687 -6.533 -14.274 1.00 1.92 N ATOM 1013 CA SER A 63 2.798 -7.488 -13.577 1.00 2.02 C ATOM 1014 C SER A 63 3.503 -8.584 -12.774 1.00 1.81 C ATOM 1015 O SER A 63 2.870 -9.205 -11.917 1.00 2.13 O ATOM 1016 CB SER A 63 1.713 -8.128 -14.449 1.00 2.46 C ATOM 1017 OG SER A 63 2.146 -9.123 -15.357 1.00 3.48 O ATOM 0 H SER A 63 4.043 -5.830 -13.626 1.00 1.92 H new ATOM 0 HA SER A 63 2.312 -6.817 -12.868 1.00 2.02 H new ATOM 0 HB2 SER A 63 0.961 -8.567 -13.793 1.00 2.46 H new ATOM 0 HB3 SER A 63 1.220 -7.339 -15.016 1.00 2.46 H new ATOM 0 HG SER A 63 2.785 -8.733 -15.990 1.00 3.48 H new ATOM 1023 N ASP A 64 4.796 -8.784 -13.015 1.00 1.68 N ATOM 1024 CA ASP A 64 5.554 -9.973 -12.637 1.00 1.68 C ATOM 1025 C ASP A 64 6.988 -9.517 -12.392 1.00 1.70 C ATOM 1026 O ASP A 64 7.915 -9.706 -13.174 1.00 2.63 O ATOM 1027 CB ASP A 64 5.421 -11.047 -13.728 1.00 1.88 C ATOM 1028 CG ASP A 64 6.109 -12.365 -13.353 1.00 2.85 C ATOM 1029 OD1 ASP A 64 6.218 -12.642 -12.139 1.00 3.70 O ATOM 1030 OD2 ASP A 64 6.447 -13.113 -14.297 1.00 4.14 O ATOM 0 H ASP A 64 5.368 -8.092 -13.500 1.00 1.68 H new ATOM 0 HA ASP A 64 5.177 -10.440 -11.727 1.00 1.68 H new ATOM 0 HB2 ASP A 64 4.364 -11.236 -13.919 1.00 1.88 H new ATOM 0 HB3 ASP A 64 5.850 -10.670 -14.656 1.00 1.88 H new ATOM 1035 N GLN A 65 7.091 -8.742 -11.322 1.00 1.13 N ATOM 1036 CA GLN A 65 8.333 -8.193 -10.806 1.00 1.03 C ATOM 1037 C GLN A 65 8.251 -8.044 -9.294 1.00 0.85 C ATOM 1038 O GLN A 65 7.152 -7.909 -8.748 1.00 0.79 O ATOM 1039 CB GLN A 65 8.590 -6.800 -11.387 1.00 1.23 C ATOM 1040 CG GLN A 65 7.371 -5.859 -11.369 1.00 2.57 C ATOM 1041 CD GLN A 65 7.776 -4.399 -11.510 1.00 3.51 C ATOM 1042 OE1 GLN A 65 7.576 -3.778 -12.550 1.00 3.34 O ATOM 1043 NE2 GLN A 65 8.345 -3.799 -10.484 1.00 5.08 N ATOM 0 H GLN A 65 6.279 -8.469 -10.769 1.00 1.13 H new ATOM 0 HA GLN A 65 9.136 -8.875 -11.087 1.00 1.03 H new ATOM 0 HB2 GLN A 65 9.401 -6.332 -10.828 1.00 1.23 H new ATOM 0 HB3 GLN A 65 8.933 -6.908 -12.416 1.00 1.23 H new ATOM 0 HG2 GLN A 65 6.694 -6.127 -12.180 1.00 2.57 H new ATOM 0 HG3 GLN A 65 6.822 -5.995 -10.437 1.00 2.57 H new ATOM 0 HE21 GLN A 65 8.511 -4.315 -9.620 1.00 5.08 H new ATOM 0 HE22 GLN A 65 8.619 -2.819 -10.554 1.00 5.08 H new ATOM 1052 N GLU A 66 9.402 -7.950 -8.638 1.00 0.84 N ATOM 1053 CA GLU A 66 9.472 -7.541 -7.248 1.00 0.80 C ATOM 1054 C GLU A 66 9.266 -6.032 -7.050 1.00 0.84 C ATOM 1055 O GLU A 66 9.417 -5.202 -7.955 1.00 1.00 O ATOM 1056 CB GLU A 66 10.777 -7.992 -6.562 1.00 0.88 C ATOM 1057 CG GLU A 66 11.166 -9.463 -6.775 1.00 0.97 C ATOM 1058 CD GLU A 66 12.170 -9.612 -7.917 1.00 2.28 C ATOM 1059 OE1 GLU A 66 11.831 -9.176 -9.042 1.00 3.89 O ATOM 1060 OE2 GLU A 66 13.282 -10.114 -7.640 1.00 2.73 O ATOM 0 H GLU A 66 10.309 -8.156 -9.057 1.00 0.84 H new ATOM 0 HA GLU A 66 8.639 -8.053 -6.766 1.00 0.80 H new ATOM 0 HB2 GLU A 66 11.592 -7.364 -6.922 1.00 0.88 H new ATOM 0 HB3 GLU A 66 10.685 -7.811 -5.491 1.00 0.88 H new ATOM 0 HG2 GLU A 66 11.594 -9.865 -5.857 1.00 0.97 H new ATOM 0 HG3 GLU A 66 10.274 -10.049 -6.994 1.00 0.97 H new ATOM 1067 N ILE A 67 8.939 -5.704 -5.802 1.00 0.79 N ATOM 1068 CA ILE A 67 9.192 -4.407 -5.167 1.00 0.87 C ATOM 1069 C ILE A 67 9.936 -4.595 -3.835 1.00 0.86 C ATOM 1070 O ILE A 67 9.865 -5.662 -3.216 1.00 0.85 O ATOM 1071 CB ILE A 67 7.883 -3.641 -4.887 1.00 1.16 C ATOM 1072 CG1 ILE A 67 6.901 -4.449 -4.008 1.00 2.28 C ATOM 1073 CG2 ILE A 67 7.197 -3.169 -6.177 1.00 1.30 C ATOM 1074 CD1 ILE A 67 6.168 -3.563 -2.999 1.00 3.28 C ATOM 0 H ILE A 67 8.471 -6.360 -5.177 1.00 0.79 H new ATOM 0 HA ILE A 67 9.800 -3.829 -5.863 1.00 0.87 H new ATOM 0 HB ILE A 67 8.173 -2.755 -4.323 1.00 1.16 H new ATOM 0 HG12 ILE A 67 6.173 -4.950 -4.646 1.00 2.28 H new ATOM 0 HG13 ILE A 67 7.448 -5.227 -3.476 1.00 2.28 H new ATOM 0 HG21 ILE A 67 6.280 -2.635 -5.927 1.00 1.30 H new ATOM 0 HG22 ILE A 67 7.867 -2.504 -6.723 1.00 1.30 H new ATOM 0 HG23 ILE A 67 6.957 -4.032 -6.798 1.00 1.30 H new ATOM 0 HD11 ILE A 67 5.489 -4.174 -2.404 1.00 3.28 H new ATOM 0 HD12 ILE A 67 6.893 -3.082 -2.343 1.00 3.28 H new ATOM 0 HD13 ILE A 67 5.598 -2.801 -3.531 1.00 3.28 H new ATOM 1086 N ASP A 68 10.547 -3.519 -3.343 1.00 0.99 N ATOM 1087 CA ASP A 68 10.888 -3.356 -1.930 1.00 1.03 C ATOM 1088 C ASP A 68 9.875 -2.444 -1.197 1.00 0.94 C ATOM 1089 O ASP A 68 8.988 -1.830 -1.790 1.00 1.09 O ATOM 1090 CB ASP A 68 12.354 -2.905 -1.772 1.00 1.46 C ATOM 1091 CG ASP A 68 12.645 -1.461 -2.200 1.00 1.24 C ATOM 1092 OD1 ASP A 68 11.994 -0.537 -1.660 1.00 1.76 O ATOM 1093 OD2 ASP A 68 13.542 -1.246 -3.045 1.00 2.24 O ATOM 0 H ASP A 68 10.823 -2.725 -3.921 1.00 0.99 H new ATOM 0 HA ASP A 68 10.809 -4.326 -1.439 1.00 1.03 H new ATOM 0 HB2 ASP A 68 12.642 -3.022 -0.727 1.00 1.46 H new ATOM 0 HB3 ASP A 68 12.988 -3.574 -2.354 1.00 1.46 H new ATOM 1098 N PHE A 69 10.036 -2.368 0.127 1.00 0.92 N ATOM 1099 CA PHE A 69 9.160 -1.684 1.089 1.00 0.94 C ATOM 1100 C PHE A 69 8.873 -0.190 0.787 1.00 1.02 C ATOM 1101 O PHE A 69 7.888 0.369 1.274 1.00 1.04 O ATOM 1102 CB PHE A 69 9.830 -1.888 2.461 1.00 1.11 C ATOM 1103 CG PHE A 69 9.056 -1.442 3.683 1.00 1.29 C ATOM 1104 CD1 PHE A 69 7.725 -1.858 3.876 1.00 2.58 C ATOM 1105 CD2 PHE A 69 9.690 -0.670 4.674 1.00 2.13 C ATOM 1106 CE1 PHE A 69 7.028 -1.490 5.037 1.00 3.22 C ATOM 1107 CE2 PHE A 69 8.987 -0.280 5.828 1.00 2.75 C ATOM 1108 CZ PHE A 69 7.659 -0.694 6.012 1.00 2.91 C ATOM 0 H PHE A 69 10.832 -2.810 0.587 1.00 0.92 H new ATOM 0 HA PHE A 69 8.160 -2.116 1.040 1.00 0.94 H new ATOM 0 HB2 PHE A 69 10.055 -2.949 2.572 1.00 1.11 H new ATOM 0 HB3 PHE A 69 10.783 -1.359 2.453 1.00 1.11 H new ATOM 0 HD1 PHE A 69 7.238 -2.464 3.126 1.00 2.58 H new ATOM 0 HD2 PHE A 69 10.721 -0.376 4.548 1.00 2.13 H new ATOM 0 HE1 PHE A 69 6.009 -1.817 5.182 1.00 3.22 H new ATOM 0 HE2 PHE A 69 9.469 0.337 6.572 1.00 2.75 H new ATOM 0 HZ PHE A 69 7.121 -0.402 6.902 1.00 2.91 H new ATOM 1118 N LYS A 70 9.682 0.466 -0.051 1.00 1.09 N ATOM 1119 CA LYS A 70 9.517 1.867 -0.476 1.00 1.14 C ATOM 1120 C LYS A 70 8.275 2.056 -1.360 1.00 1.16 C ATOM 1121 O LYS A 70 7.478 2.975 -1.169 1.00 1.14 O ATOM 1122 CB LYS A 70 10.761 2.172 -1.305 1.00 1.12 C ATOM 1123 CG LYS A 70 11.037 3.632 -1.660 1.00 1.21 C ATOM 1124 CD LYS A 70 11.903 3.716 -2.931 1.00 1.57 C ATOM 1125 CE LYS A 70 13.200 2.876 -2.955 1.00 2.43 C ATOM 1126 NZ LYS A 70 12.959 1.457 -3.334 1.00 3.32 N ATOM 0 H LYS A 70 10.500 0.023 -0.469 1.00 1.09 H new ATOM 0 HA LYS A 70 9.393 2.520 0.388 1.00 1.14 H new ATOM 0 HB2 LYS A 70 11.627 1.789 -0.764 1.00 1.12 H new ATOM 0 HB3 LYS A 70 10.691 1.608 -2.235 1.00 1.12 H new ATOM 0 HG2 LYS A 70 10.096 4.160 -1.817 1.00 1.21 H new ATOM 0 HG3 LYS A 70 11.545 4.125 -0.832 1.00 1.21 H new ATOM 0 HD2 LYS A 70 11.289 3.415 -3.780 1.00 1.57 H new ATOM 0 HD3 LYS A 70 12.173 4.760 -3.088 1.00 1.57 H new ATOM 0 HE2 LYS A 70 13.903 3.321 -3.659 1.00 2.43 H new ATOM 0 HE3 LYS A 70 13.668 2.910 -1.971 1.00 2.43 H new ATOM 0 HZ1 LYS A 70 13.832 1.049 -3.726 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 12.672 0.917 -2.493 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 12.205 1.412 -4.048 1.00 3.32 H new ATOM 1140 N GLU A 71 8.113 1.126 -2.296 1.00 1.20 N ATOM 1141 CA GLU A 71 7.087 1.156 -3.333 1.00 1.06 C ATOM 1142 C GLU A 71 5.716 0.848 -2.718 1.00 0.86 C ATOM 1143 O GLU A 71 4.689 1.367 -3.141 1.00 0.80 O ATOM 1144 CB GLU A 71 7.445 0.171 -4.459 1.00 1.07 C ATOM 1145 CG GLU A 71 8.953 0.022 -4.761 1.00 1.83 C ATOM 1146 CD GLU A 71 9.703 1.317 -5.078 1.00 3.41 C ATOM 1147 OE1 GLU A 71 9.077 2.392 -5.181 1.00 4.18 O ATOM 1148 OE2 GLU A 71 10.950 1.247 -5.120 1.00 4.90 O ATOM 0 H GLU A 71 8.713 0.303 -2.355 1.00 1.20 H new ATOM 0 HA GLU A 71 7.038 2.152 -3.772 1.00 1.06 H new ATOM 0 HB2 GLU A 71 7.046 -0.810 -4.200 1.00 1.07 H new ATOM 0 HB3 GLU A 71 6.940 0.490 -5.371 1.00 1.07 H new ATOM 0 HG2 GLU A 71 9.431 -0.451 -3.903 1.00 1.83 H new ATOM 0 HG3 GLU A 71 9.069 -0.658 -5.605 1.00 1.83 H new ATOM 1155 N TYR A 72 5.711 0.070 -1.635 1.00 0.86 N ATOM 1156 CA TYR A 72 4.512 -0.155 -0.820 1.00 0.74 C ATOM 1157 C TYR A 72 4.074 1.113 -0.061 1.00 0.74 C ATOM 1158 O TYR A 72 2.911 1.514 -0.101 1.00 0.66 O ATOM 1159 CB TYR A 72 4.801 -1.312 0.145 1.00 0.83 C ATOM 1160 CG TYR A 72 3.785 -1.503 1.255 1.00 0.83 C ATOM 1161 CD1 TYR A 72 2.479 -1.929 0.951 1.00 2.19 C ATOM 1162 CD2 TYR A 72 4.162 -1.312 2.602 1.00 2.06 C ATOM 1163 CE1 TYR A 72 1.567 -2.216 1.981 1.00 2.39 C ATOM 1164 CE2 TYR A 72 3.259 -1.618 3.637 1.00 2.03 C ATOM 1165 CZ TYR A 72 1.964 -2.091 3.330 1.00 1.19 C ATOM 1166 OH TYR A 72 1.107 -2.460 4.314 1.00 1.46 O ATOM 0 H TYR A 72 6.537 -0.423 -1.296 1.00 0.86 H new ATOM 0 HA TYR A 72 3.678 -0.411 -1.474 1.00 0.74 H new ATOM 0 HB2 TYR A 72 4.863 -2.236 -0.430 1.00 0.83 H new ATOM 0 HB3 TYR A 72 5.780 -1.151 0.596 1.00 0.83 H new ATOM 0 HD1 TYR A 72 2.176 -2.036 -0.080 1.00 2.19 H new ATOM 0 HD2 TYR A 72 5.144 -0.931 2.838 1.00 2.06 H new ATOM 0 HE1 TYR A 72 0.563 -2.532 1.741 1.00 2.39 H new ATOM 0 HE2 TYR A 72 3.557 -1.491 4.667 1.00 2.03 H new ATOM 0 HH TYR A 72 0.883 -3.409 4.214 1.00 1.46 H new ATOM 1176 N SER A 73 5.010 1.738 0.656 1.00 0.91 N ATOM 1177 CA SER A 73 4.749 2.908 1.504 1.00 1.01 C ATOM 1178 C SER A 73 4.417 4.163 0.693 1.00 1.00 C ATOM 1179 O SER A 73 3.543 4.922 1.124 1.00 1.00 O ATOM 1180 CB SER A 73 5.945 3.157 2.442 1.00 1.21 C ATOM 1181 OG SER A 73 7.168 3.001 1.751 1.00 1.67 O ATOM 0 H SER A 73 5.986 1.443 0.665 1.00 0.91 H new ATOM 0 HA SER A 73 3.865 2.686 2.102 1.00 1.01 H new ATOM 0 HB2 SER A 73 5.883 4.163 2.858 1.00 1.21 H new ATOM 0 HB3 SER A 73 5.905 2.462 3.281 1.00 1.21 H new ATOM 0 HG SER A 73 7.424 2.055 1.749 1.00 1.67 H new ATOM 1187 N VAL A 74 5.003 4.369 -0.500 1.00 1.03 N ATOM 1188 CA VAL A 74 4.503 5.419 -1.403 1.00 1.04 C ATOM 1189 C VAL A 74 3.114 5.099 -1.939 1.00 1.01 C ATOM 1190 O VAL A 74 2.286 6.000 -1.989 1.00 1.14 O ATOM 1191 CB VAL A 74 5.428 5.775 -2.582 1.00 1.09 C ATOM 1192 CG1 VAL A 74 6.766 6.304 -2.073 1.00 1.16 C ATOM 1193 CG2 VAL A 74 5.621 4.663 -3.613 1.00 1.11 C ATOM 0 H VAL A 74 5.800 3.839 -0.853 1.00 1.03 H new ATOM 0 HA VAL A 74 4.467 6.300 -0.762 1.00 1.04 H new ATOM 0 HB VAL A 74 4.910 6.563 -3.129 1.00 1.09 H new ATOM 0 HG11 VAL A 74 7.406 6.550 -2.920 1.00 1.16 H new ATOM 0 HG12 VAL A 74 6.599 7.198 -1.473 1.00 1.16 H new ATOM 0 HG13 VAL A 74 7.250 5.542 -1.462 1.00 1.16 H new ATOM 0 HG21 VAL A 74 6.288 5.010 -4.402 1.00 1.11 H new ATOM 0 HG22 VAL A 74 6.057 3.789 -3.129 1.00 1.11 H new ATOM 0 HG23 VAL A 74 4.656 4.395 -4.044 1.00 1.11 H new ATOM 1203 N PHE A 75 2.806 3.843 -2.297 1.00 0.87 N ATOM 1204 CA PHE A 75 1.481 3.498 -2.814 1.00 0.80 C ATOM 1205 C PHE A 75 0.376 3.790 -1.793 1.00 0.72 C ATOM 1206 O PHE A 75 -0.636 4.380 -2.151 1.00 0.66 O ATOM 1207 CB PHE A 75 1.458 2.026 -3.215 1.00 0.82 C ATOM 1208 CG PHE A 75 0.275 1.644 -4.072 1.00 0.75 C ATOM 1209 CD1 PHE A 75 -0.968 1.297 -3.511 1.00 2.18 C ATOM 1210 CD2 PHE A 75 0.443 1.600 -5.465 1.00 1.58 C ATOM 1211 CE1 PHE A 75 -2.018 0.859 -4.342 1.00 2.11 C ATOM 1212 CE2 PHE A 75 -0.579 1.108 -6.279 1.00 1.65 C ATOM 1213 CZ PHE A 75 -1.817 0.747 -5.729 1.00 0.69 C ATOM 0 H PHE A 75 3.454 3.057 -2.237 1.00 0.87 H new ATOM 0 HA PHE A 75 1.286 4.120 -3.688 1.00 0.80 H new ATOM 0 HB2 PHE A 75 2.376 1.792 -3.755 1.00 0.82 H new ATOM 0 HB3 PHE A 75 1.454 1.414 -2.313 1.00 0.82 H new ATOM 0 HD1 PHE A 75 -1.117 1.366 -2.444 1.00 2.18 H new ATOM 0 HD2 PHE A 75 1.365 1.947 -5.908 1.00 1.58 H new ATOM 0 HE1 PHE A 75 -2.977 0.609 -3.914 1.00 2.11 H new ATOM 0 HE2 PHE A 75 -0.414 1.005 -7.341 1.00 1.65 H new ATOM 0 HZ PHE A 75 -2.611 0.385 -6.366 1.00 0.69 H new ATOM 1223 N LEU A 76 0.593 3.434 -0.517 1.00 0.75 N ATOM 1224 CA LEU A 76 -0.329 3.716 0.589 1.00 0.72 C ATOM 1225 C LEU A 76 -0.495 5.223 0.846 1.00 0.75 C ATOM 1226 O LEU A 76 -1.620 5.693 1.046 1.00 0.75 O ATOM 1227 CB LEU A 76 0.182 2.979 1.846 1.00 0.74 C ATOM 1228 CG LEU A 76 -0.462 1.603 2.116 1.00 1.19 C ATOM 1229 CD1 LEU A 76 -1.951 1.745 2.449 1.00 3.17 C ATOM 1230 CD2 LEU A 76 -0.295 0.604 0.962 1.00 1.06 C ATOM 0 H LEU A 76 1.431 2.933 -0.222 1.00 0.75 H new ATOM 0 HA LEU A 76 -1.322 3.354 0.324 1.00 0.72 H new ATOM 0 HB2 LEU A 76 1.260 2.845 1.754 1.00 0.74 H new ATOM 0 HB3 LEU A 76 0.013 3.617 2.714 1.00 0.74 H new ATOM 0 HG LEU A 76 0.077 1.199 2.973 1.00 1.19 H new ATOM 0 HD11 LEU A 76 -2.378 0.759 2.634 1.00 3.17 H new ATOM 0 HD12 LEU A 76 -2.067 2.364 3.339 1.00 3.17 H new ATOM 0 HD13 LEU A 76 -2.468 2.213 1.611 1.00 3.17 H new ATOM 0 HD21 LEU A 76 -0.773 -0.339 1.225 1.00 1.06 H new ATOM 0 HD22 LEU A 76 -0.759 1.007 0.062 1.00 1.06 H new ATOM 0 HD23 LEU A 76 0.766 0.434 0.779 1.00 1.06 H new ATOM 1242 N THR A 77 0.603 5.980 0.778 1.00 0.81 N ATOM 1243 CA THR A 77 0.605 7.447 0.877 1.00 0.80 C ATOM 1244 C THR A 77 -0.231 8.087 -0.225 1.00 0.83 C ATOM 1245 O THR A 77 -1.123 8.881 0.059 1.00 0.85 O ATOM 1246 CB THR A 77 2.054 7.932 0.867 1.00 0.79 C ATOM 1247 OG1 THR A 77 2.586 7.611 2.129 1.00 0.96 O ATOM 1248 CG2 THR A 77 2.171 9.434 0.622 1.00 0.68 C ATOM 0 H THR A 77 1.535 5.586 0.650 1.00 0.81 H new ATOM 0 HA THR A 77 0.137 7.753 1.813 1.00 0.80 H new ATOM 0 HB THR A 77 2.595 7.451 0.052 1.00 0.79 H new ATOM 0 HG1 THR A 77 3.006 6.726 2.092 1.00 0.96 H new ATOM 0 HG21 THR A 77 3.222 9.722 0.625 1.00 0.68 H new ATOM 0 HG22 THR A 77 1.730 9.681 -0.344 1.00 0.68 H new ATOM 0 HG23 THR A 77 1.644 9.973 1.409 1.00 0.68 H new ATOM 1256 N MET A 78 0.008 7.709 -1.482 1.00 0.83 N ATOM 1257 CA MET A 78 -0.720 8.224 -2.654 1.00 0.87 C ATOM 1258 C MET A 78 -2.200 7.852 -2.643 1.00 0.79 C ATOM 1259 O MET A 78 -3.043 8.626 -3.078 1.00 0.75 O ATOM 1260 CB MET A 78 -0.034 7.721 -3.937 1.00 0.92 C ATOM 1261 CG MET A 78 1.355 8.357 -3.993 1.00 2.81 C ATOM 1262 SD MET A 78 2.202 8.391 -5.596 1.00 2.65 S ATOM 1263 CE MET A 78 2.264 6.612 -5.925 1.00 2.05 C ATOM 0 H MET A 78 0.725 7.024 -1.723 1.00 0.83 H new ATOM 0 HA MET A 78 -0.685 9.313 -2.618 1.00 0.87 H new ATOM 0 HB2 MET A 78 0.042 6.634 -3.930 1.00 0.92 H new ATOM 0 HB3 MET A 78 -0.617 7.995 -4.816 1.00 0.92 H new ATOM 0 HG2 MET A 78 1.268 9.384 -3.638 1.00 2.81 H new ATOM 0 HG3 MET A 78 1.995 7.828 -3.287 1.00 2.81 H new ATOM 0 HE1 MET A 78 2.804 6.433 -6.855 1.00 2.05 H new ATOM 0 HE2 MET A 78 2.776 6.108 -5.105 1.00 2.05 H new ATOM 0 HE3 MET A 78 1.250 6.223 -6.013 1.00 2.05 H new ATOM 1273 N LEU A 79 -2.501 6.685 -2.081 1.00 0.82 N ATOM 1274 CA LEU A 79 -3.872 6.240 -1.800 1.00 0.88 C ATOM 1275 C LEU A 79 -4.578 7.216 -0.849 1.00 0.85 C ATOM 1276 O LEU A 79 -5.646 7.721 -1.181 1.00 0.86 O ATOM 1277 CB LEU A 79 -3.887 4.809 -1.213 1.00 1.15 C ATOM 1278 CG LEU A 79 -5.147 3.985 -1.535 1.00 1.15 C ATOM 1279 CD1 LEU A 79 -6.453 4.773 -1.429 1.00 2.19 C ATOM 1280 CD2 LEU A 79 -5.002 3.324 -2.911 1.00 1.58 C ATOM 0 H LEU A 79 -1.791 6.008 -1.802 1.00 0.82 H new ATOM 0 HA LEU A 79 -4.415 6.224 -2.745 1.00 0.88 H new ATOM 0 HB2 LEU A 79 -3.015 4.271 -1.585 1.00 1.15 H new ATOM 0 HB3 LEU A 79 -3.782 4.876 -0.130 1.00 1.15 H new ATOM 0 HG LEU A 79 -5.220 3.216 -0.766 1.00 1.15 H new ATOM 0 HD11 LEU A 79 -7.292 4.121 -1.671 1.00 2.19 H new ATOM 0 HD12 LEU A 79 -6.569 5.151 -0.413 1.00 2.19 H new ATOM 0 HD13 LEU A 79 -6.431 5.610 -2.127 1.00 2.19 H new ATOM 0 HD21 LEU A 79 -5.897 2.743 -3.132 1.00 1.58 H new ATOM 0 HD22 LEU A 79 -4.872 4.093 -3.672 1.00 1.58 H new ATOM 0 HD23 LEU A 79 -4.133 2.665 -2.909 1.00 1.58 H new ATOM 1292 N CYS A 80 -3.979 7.499 0.313 1.00 0.89 N ATOM 1293 CA CYS A 80 -4.539 8.413 1.311 1.00 0.93 C ATOM 1294 C CYS A 80 -4.851 9.779 0.679 1.00 0.90 C ATOM 1295 O CYS A 80 -5.976 10.267 0.760 1.00 0.98 O ATOM 1296 CB CYS A 80 -3.536 8.495 2.471 1.00 1.03 C ATOM 1297 SG CYS A 80 -4.236 9.483 3.822 1.00 1.23 S ATOM 0 H CYS A 80 -3.084 7.096 0.588 1.00 0.89 H new ATOM 0 HA CYS A 80 -5.491 8.049 1.697 1.00 0.93 H new ATOM 0 HB2 CYS A 80 -3.296 7.493 2.828 1.00 1.03 H new ATOM 0 HB3 CYS A 80 -2.604 8.942 2.126 1.00 1.03 H new ATOM 0 HG CYS A 80 -3.383 9.546 4.801 1.00 1.23 H new ATOM 1303 N MET A 81 -3.900 10.327 -0.076 1.00 0.91 N ATOM 1304 CA MET A 81 -4.025 11.645 -0.708 1.00 0.98 C ATOM 1305 C MET A 81 -4.956 11.629 -1.931 1.00 0.98 C ATOM 1306 O MET A 81 -5.307 12.682 -2.456 1.00 1.14 O ATOM 1307 CB MET A 81 -2.636 12.222 -1.002 1.00 1.15 C ATOM 1308 CG MET A 81 -1.779 12.285 0.276 1.00 2.54 C ATOM 1309 SD MET A 81 -2.696 12.549 1.828 1.00 4.79 S ATOM 1310 CE MET A 81 -1.405 13.248 2.833 1.00 5.74 C ATOM 0 H MET A 81 -3.011 9.866 -0.270 1.00 0.91 H new ATOM 0 HA MET A 81 -4.513 12.319 -0.004 1.00 0.98 H new ATOM 0 HB2 MET A 81 -2.135 11.608 -1.750 1.00 1.15 H new ATOM 0 HB3 MET A 81 -2.736 13.221 -1.426 1.00 1.15 H new ATOM 0 HG2 MET A 81 -1.217 11.355 0.361 1.00 2.54 H new ATOM 0 HG3 MET A 81 -1.051 13.088 0.164 1.00 2.54 H new ATOM 0 HE1 MET A 81 -1.813 14.058 3.438 1.00 5.74 H new ATOM 0 HE2 MET A 81 -0.995 12.478 3.486 1.00 5.74 H new ATOM 0 HE3 MET A 81 -0.615 13.638 2.191 1.00 5.74 H new ATOM 1320 N ALA A 82 -5.390 10.443 -2.376 1.00 0.94 N ATOM 1321 CA ALA A 82 -6.382 10.248 -3.432 1.00 1.00 C ATOM 1322 C ALA A 82 -7.843 10.238 -2.926 1.00 0.98 C ATOM 1323 O ALA A 82 -8.744 9.991 -3.735 1.00 1.18 O ATOM 1324 CB ALA A 82 -6.043 8.986 -4.245 1.00 1.11 C ATOM 0 H ALA A 82 -5.045 9.562 -1.994 1.00 0.94 H new ATOM 0 HA ALA A 82 -6.324 11.118 -4.086 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.787 8.848 -5.030 1.00 1.11 H new ATOM 0 HB2 ALA A 82 -5.057 9.097 -4.696 1.00 1.11 H new ATOM 0 HB3 ALA A 82 -6.045 8.117 -3.586 1.00 1.11 H new ATOM 1330 N TYR A 83 -8.101 10.469 -1.626 1.00 0.91 N ATOM 1331 CA TYR A 83 -9.457 10.699 -1.082 1.00 1.06 C ATOM 1332 C TYR A 83 -9.581 11.399 0.291 1.00 1.18 C ATOM 1333 O TYR A 83 -10.679 11.834 0.636 1.00 1.84 O ATOM 1334 CB TYR A 83 -10.259 9.383 -1.076 1.00 1.23 C ATOM 1335 CG TYR A 83 -9.907 8.341 -0.024 1.00 1.30 C ATOM 1336 CD1 TYR A 83 -10.383 8.494 1.292 1.00 2.49 C ATOM 1337 CD2 TYR A 83 -9.191 7.171 -0.370 1.00 2.19 C ATOM 1338 CE1 TYR A 83 -10.097 7.528 2.274 1.00 2.90 C ATOM 1339 CE2 TYR A 83 -8.971 6.166 0.587 1.00 2.28 C ATOM 1340 CZ TYR A 83 -9.379 6.367 1.926 1.00 2.07 C ATOM 1341 OH TYR A 83 -9.071 5.460 2.889 1.00 2.58 O ATOM 0 H TYR A 83 -7.370 10.502 -0.915 1.00 0.91 H new ATOM 0 HA TYR A 83 -9.874 11.432 -1.772 1.00 1.06 H new ATOM 0 HB2 TYR A 83 -11.313 9.634 -0.959 1.00 1.23 H new ATOM 0 HB3 TYR A 83 -10.149 8.919 -2.056 1.00 1.23 H new ATOM 0 HD1 TYR A 83 -10.973 9.361 1.550 1.00 2.49 H new ATOM 0 HD2 TYR A 83 -8.812 7.050 -1.374 1.00 2.19 H new ATOM 0 HE1 TYR A 83 -10.427 7.676 3.292 1.00 2.90 H new ATOM 0 HE2 TYR A 83 -8.491 5.242 0.301 1.00 2.28 H new ATOM 0 HH TYR A 83 -8.575 4.715 2.490 1.00 2.58 H new ATOM 1351 N ASN A 84 -8.523 11.501 1.103 1.00 1.18 N ATOM 1352 CA ASN A 84 -8.600 11.954 2.501 1.00 1.54 C ATOM 1353 C ASN A 84 -8.683 13.491 2.653 1.00 1.46 C ATOM 1354 O ASN A 84 -7.812 14.135 3.244 1.00 1.84 O ATOM 1355 CB ASN A 84 -7.459 11.289 3.297 1.00 2.13 C ATOM 1356 CG ASN A 84 -7.706 11.202 4.798 1.00 3.43 C ATOM 1357 OD1 ASN A 84 -8.620 11.801 5.350 1.00 4.45 O ATOM 1358 ND2 ASN A 84 -6.917 10.404 5.495 1.00 4.07 N ATOM 0 H ASN A 84 -7.575 11.269 0.806 1.00 1.18 H new ATOM 0 HA ASN A 84 -9.547 11.628 2.931 1.00 1.54 H new ATOM 0 HB2 ASN A 84 -7.300 10.283 2.908 1.00 2.13 H new ATOM 0 HB3 ASN A 84 -6.539 11.847 3.124 1.00 2.13 H new ATOM 0 HD21 ASN A 84 -7.068 10.285 6.497 1.00 4.07 H new ATOM 0 HD22 ASN A 84 -6.157 9.907 5.031 1.00 4.07 H new ATOM 1365 N ASP A 85 -9.758 14.091 2.119 1.00 1.45 N ATOM 1366 CA ASP A 85 -10.006 15.548 2.113 1.00 1.46 C ATOM 1367 C ASP A 85 -10.354 16.130 3.502 1.00 1.65 C ATOM 1368 O ASP A 85 -10.478 17.340 3.656 1.00 1.79 O ATOM 1369 CB ASP A 85 -11.069 15.931 1.054 1.00 2.00 C ATOM 1370 CG ASP A 85 -10.737 17.258 0.344 1.00 3.52 C ATOM 1371 OD1 ASP A 85 -9.892 17.206 -0.575 1.00 4.44 O ATOM 1372 OD2 ASP A 85 -11.257 18.335 0.726 1.00 4.71 O ATOM 0 H ASP A 85 -10.503 13.563 1.665 1.00 1.45 H new ATOM 0 HA ASP A 85 -9.058 16.009 1.834 1.00 1.46 H new ATOM 0 HB2 ASP A 85 -11.144 15.135 0.314 1.00 2.00 H new ATOM 0 HB3 ASP A 85 -12.044 16.013 1.534 1.00 2.00 H new ATOM 1377 N PHE A 86 -10.448 15.292 4.544 1.00 1.97 N ATOM 1378 CA PHE A 86 -10.614 15.732 5.938 1.00 2.43 C ATOM 1379 C PHE A 86 -9.404 16.522 6.481 1.00 2.40 C ATOM 1380 O PHE A 86 -9.496 17.151 7.533 1.00 2.92 O ATOM 1381 CB PHE A 86 -10.903 14.500 6.810 1.00 2.88 C ATOM 1382 CG PHE A 86 -12.073 13.644 6.343 1.00 3.05 C ATOM 1383 CD1 PHE A 86 -13.315 14.235 6.035 1.00 3.99 C ATOM 1384 CD2 PHE A 86 -11.913 12.251 6.205 1.00 3.64 C ATOM 1385 CE1 PHE A 86 -14.379 13.441 5.569 1.00 4.57 C ATOM 1386 CE2 PHE A 86 -12.981 11.457 5.751 1.00 4.31 C ATOM 1387 CZ PHE A 86 -14.213 12.053 5.427 1.00 4.43 C ATOM 0 H PHE A 86 -10.411 14.278 4.442 1.00 1.97 H new ATOM 0 HA PHE A 86 -11.452 16.428 5.972 1.00 2.43 H new ATOM 0 HB2 PHE A 86 -10.008 13.879 6.844 1.00 2.88 H new ATOM 0 HB3 PHE A 86 -11.099 14.832 7.829 1.00 2.88 H new ATOM 0 HD1 PHE A 86 -13.450 15.300 6.157 1.00 3.99 H new ATOM 0 HD2 PHE A 86 -10.967 11.791 6.449 1.00 3.64 H new ATOM 0 HE1 PHE A 86 -15.325 13.899 5.320 1.00 4.57 H new ATOM 0 HE2 PHE A 86 -12.855 10.389 5.651 1.00 4.31 H new ATOM 0 HZ PHE A 86 -15.031 11.445 5.069 1.00 4.43 H new ATOM 1397 N PHE A 87 -8.278 16.509 5.757 1.00 1.99 N ATOM 1398 CA PHE A 87 -7.109 17.364 5.989 1.00 2.18 C ATOM 1399 C PHE A 87 -7.018 18.530 4.990 1.00 2.04 C ATOM 1400 O PHE A 87 -6.016 19.242 4.965 1.00 2.43 O ATOM 1401 CB PHE A 87 -5.852 16.484 5.955 1.00 2.23 C ATOM 1402 CG PHE A 87 -5.840 15.447 7.052 1.00 2.71 C ATOM 1403 CD1 PHE A 87 -5.581 15.829 8.382 1.00 3.91 C ATOM 1404 CD2 PHE A 87 -6.152 14.110 6.751 1.00 2.93 C ATOM 1405 CE1 PHE A 87 -5.626 14.879 9.411 1.00 4.71 C ATOM 1406 CE2 PHE A 87 -6.201 13.161 7.783 1.00 3.70 C ATOM 1407 CZ PHE A 87 -5.948 13.541 9.114 1.00 4.40 C ATOM 0 H PHE A 87 -8.152 15.879 4.965 1.00 1.99 H new ATOM 0 HA PHE A 87 -7.205 17.834 6.968 1.00 2.18 H new ATOM 0 HB2 PHE A 87 -5.788 15.985 4.988 1.00 2.23 H new ATOM 0 HB3 PHE A 87 -4.968 17.115 6.047 1.00 2.23 H new ATOM 0 HD1 PHE A 87 -5.347 16.858 8.610 1.00 3.91 H new ATOM 0 HD2 PHE A 87 -6.353 13.815 5.732 1.00 2.93 H new ATOM 0 HE1 PHE A 87 -5.414 15.172 10.429 1.00 4.71 H new ATOM 0 HE2 PHE A 87 -6.435 12.132 7.554 1.00 3.70 H new ATOM 0 HZ PHE A 87 -6.001 12.808 9.906 1.00 4.40 H new ATOM 1417 N LEU A 88 -8.048 18.738 4.170 1.00 1.69 N ATOM 1418 CA LEU A 88 -8.215 19.845 3.234 1.00 1.61 C ATOM 1419 C LEU A 88 -9.371 20.735 3.713 1.00 2.02 C ATOM 1420 O LEU A 88 -9.252 21.402 4.744 1.00 2.61 O ATOM 1421 CB LEU A 88 -8.412 19.264 1.821 1.00 1.33 C ATOM 1422 CG LEU A 88 -7.216 18.679 1.070 1.00 1.98 C ATOM 1423 CD1 LEU A 88 -6.249 19.786 0.620 1.00 2.32 C ATOM 1424 CD2 LEU A 88 -6.464 17.574 1.805 1.00 3.08 C ATOM 0 H LEU A 88 -8.839 18.094 4.142 1.00 1.69 H new ATOM 0 HA LEU A 88 -7.334 20.485 3.192 1.00 1.61 H new ATOM 0 HB2 LEU A 88 -9.166 18.480 1.893 1.00 1.33 H new ATOM 0 HB3 LEU A 88 -8.832 20.055 1.199 1.00 1.33 H new ATOM 0 HG LEU A 88 -7.652 18.193 0.197 1.00 1.98 H new ATOM 0 HD11 LEU A 88 -5.408 19.341 0.089 1.00 2.32 H new ATOM 0 HD12 LEU A 88 -6.771 20.478 -0.041 1.00 2.32 H new ATOM 0 HD13 LEU A 88 -5.882 20.325 1.493 1.00 2.32 H new ATOM 0 HD21 LEU A 88 -5.635 17.226 1.189 1.00 3.08 H new ATOM 0 HD22 LEU A 88 -6.078 17.961 2.748 1.00 3.08 H new ATOM 0 HD23 LEU A 88 -7.141 16.743 2.004 1.00 3.08 H new ATOM 1517 N GLU B 2 -12.357 0.418 8.680 1.00 2.60 N ATOM 1518 CA GLU B 2 -11.340 0.717 9.688 1.00 2.01 C ATOM 1519 C GLU B 2 -10.464 -0.538 9.814 1.00 1.78 C ATOM 1520 O GLU B 2 -10.992 -1.648 9.853 1.00 2.58 O ATOM 1521 CB GLU B 2 -11.992 1.107 11.025 1.00 2.49 C ATOM 1522 CG GLU B 2 -10.988 1.342 12.161 1.00 3.27 C ATOM 1523 CD GLU B 2 -10.009 2.480 11.870 1.00 4.13 C ATOM 1524 OE1 GLU B 2 -9.119 2.314 11.006 1.00 4.68 O ATOM 1525 OE2 GLU B 2 -10.085 3.522 12.556 1.00 4.93 O ATOM 0 HA GLU B 2 -10.729 1.571 9.396 1.00 2.01 H new ATOM 0 HB2 GLU B 2 -12.581 2.013 10.880 1.00 2.49 H new ATOM 0 HB3 GLU B 2 -12.685 0.321 11.323 1.00 2.49 H new ATOM 0 HG2 GLU B 2 -11.532 1.565 13.079 1.00 3.27 H new ATOM 0 HG3 GLU B 2 -10.427 0.424 12.338 1.00 3.27 H new ATOM 1532 N THR B 3 -9.136 -0.367 9.804 1.00 1.24 N ATOM 1533 CA THR B 3 -8.154 -1.454 9.598 1.00 1.18 C ATOM 1534 C THR B 3 -6.878 -1.245 10.413 1.00 1.11 C ATOM 1535 O THR B 3 -6.555 -0.095 10.721 1.00 1.12 O ATOM 1536 CB THR B 3 -7.751 -1.581 8.118 1.00 1.38 C ATOM 1537 OG1 THR B 3 -7.265 -0.346 7.662 1.00 1.73 O ATOM 1538 CG2 THR B 3 -8.913 -1.991 7.229 1.00 1.60 C ATOM 0 H THR B 3 -8.700 0.545 9.941 1.00 1.24 H new ATOM 0 HA THR B 3 -8.653 -2.364 9.931 1.00 1.18 H new ATOM 0 HB THR B 3 -6.988 -2.358 8.060 1.00 1.38 H new ATOM 0 HG1 THR B 3 -7.712 -0.108 6.823 1.00 1.73 H new ATOM 0 HG21 THR B 3 -8.572 -2.065 6.196 1.00 1.60 H new ATOM 0 HG22 THR B 3 -9.297 -2.958 7.555 1.00 1.60 H new ATOM 0 HG23 THR B 3 -9.704 -1.244 7.297 1.00 1.60 H new ATOM 1546 N PRO B 4 -6.092 -2.306 10.695 1.00 1.15 N ATOM 1547 CA PRO B 4 -4.765 -2.158 11.280 1.00 1.09 C ATOM 1548 C PRO B 4 -3.828 -1.365 10.361 1.00 0.99 C ATOM 1549 O PRO B 4 -3.071 -0.539 10.860 1.00 0.99 O ATOM 1550 CB PRO B 4 -4.255 -3.584 11.532 1.00 1.26 C ATOM 1551 CG PRO B 4 -5.019 -4.427 10.512 1.00 1.36 C ATOM 1552 CD PRO B 4 -6.371 -3.717 10.434 1.00 1.33 C ATOM 0 HA PRO B 4 -4.802 -1.588 12.209 1.00 1.09 H new ATOM 0 HB2 PRO B 4 -3.177 -3.656 11.384 1.00 1.26 H new ATOM 0 HB3 PRO B 4 -4.459 -3.908 12.553 1.00 1.26 H new ATOM 0 HG2 PRO B 4 -4.516 -4.447 9.545 1.00 1.36 H new ATOM 0 HG3 PRO B 4 -5.123 -5.462 10.839 1.00 1.36 H new ATOM 0 HD2 PRO B 4 -6.828 -3.851 9.453 1.00 1.33 H new ATOM 0 HD3 PRO B 4 -7.068 -4.121 11.168 1.00 1.33 H new ATOM 1560 N LEU B 5 -3.901 -1.559 9.035 1.00 0.99 N ATOM 1561 CA LEU B 5 -3.081 -0.828 8.071 1.00 0.95 C ATOM 1562 C LEU B 5 -3.362 0.679 8.084 1.00 0.79 C ATOM 1563 O LEU B 5 -2.416 1.459 8.183 1.00 0.78 O ATOM 1564 CB LEU B 5 -3.282 -1.451 6.677 1.00 1.27 C ATOM 1565 CG LEU B 5 -2.428 -0.834 5.548 1.00 1.45 C ATOM 1566 CD1 LEU B 5 -0.954 -0.592 5.915 1.00 1.58 C ATOM 1567 CD2 LEU B 5 -2.473 -1.785 4.341 1.00 2.04 C ATOM 0 H LEU B 5 -4.535 -2.232 8.605 1.00 0.99 H new ATOM 0 HA LEU B 5 -2.033 -0.922 8.355 1.00 0.95 H new ATOM 0 HB2 LEU B 5 -3.059 -2.516 6.738 1.00 1.27 H new ATOM 0 HB3 LEU B 5 -4.334 -1.361 6.405 1.00 1.27 H new ATOM 0 HG LEU B 5 -2.856 0.146 5.338 1.00 1.45 H new ATOM 0 HD11 LEU B 5 -0.433 -0.157 5.062 1.00 1.58 H new ATOM 0 HD12 LEU B 5 -0.897 0.092 6.762 1.00 1.58 H new ATOM 0 HD13 LEU B 5 -0.485 -1.539 6.182 1.00 1.58 H new ATOM 0 HD21 LEU B 5 -1.876 -1.370 3.529 1.00 2.04 H new ATOM 0 HD22 LEU B 5 -2.070 -2.756 4.628 1.00 2.04 H new ATOM 0 HD23 LEU B 5 -3.505 -1.903 4.009 1.00 2.04 H new ATOM 1579 N GLU B 6 -4.632 1.094 8.083 1.00 0.85 N ATOM 1580 CA GLU B 6 -4.990 2.511 8.231 1.00 0.89 C ATOM 1581 C GLU B 6 -4.417 3.116 9.521 1.00 0.85 C ATOM 1582 O GLU B 6 -4.026 4.278 9.520 1.00 0.94 O ATOM 1583 CB GLU B 6 -6.516 2.698 8.139 1.00 1.15 C ATOM 1584 CG GLU B 6 -7.029 4.124 8.408 1.00 1.69 C ATOM 1585 CD GLU B 6 -6.248 5.229 7.692 1.00 2.75 C ATOM 1586 OE1 GLU B 6 -6.010 5.082 6.473 1.00 3.45 O ATOM 1587 OE2 GLU B 6 -5.869 6.197 8.396 1.00 3.79 O ATOM 0 H GLU B 6 -5.432 0.469 7.981 1.00 0.85 H new ATOM 0 HA GLU B 6 -4.535 3.057 7.405 1.00 0.89 H new ATOM 0 HB2 GLU B 6 -6.842 2.396 7.144 1.00 1.15 H new ATOM 0 HB3 GLU B 6 -6.990 2.021 8.849 1.00 1.15 H new ATOM 0 HG2 GLU B 6 -8.075 4.183 8.106 1.00 1.69 H new ATOM 0 HG3 GLU B 6 -6.996 4.311 9.481 1.00 1.69 H new ATOM 1594 N LYS B 7 -4.258 2.372 10.620 1.00 0.82 N ATOM 1595 CA LYS B 7 -3.701 2.995 11.830 1.00 0.88 C ATOM 1596 C LYS B 7 -2.254 3.497 11.642 1.00 0.87 C ATOM 1597 O LYS B 7 -1.866 4.471 12.287 1.00 1.01 O ATOM 1598 CB LYS B 7 -3.916 2.141 13.088 1.00 1.03 C ATOM 1599 CG LYS B 7 -5.357 1.695 13.420 1.00 1.31 C ATOM 1600 CD LYS B 7 -6.555 2.426 12.774 1.00 2.07 C ATOM 1601 CE LYS B 7 -6.694 3.929 13.033 1.00 3.07 C ATOM 1602 NZ LYS B 7 -7.639 4.521 12.056 1.00 4.06 N ATOM 0 H LYS B 7 -4.494 1.383 10.701 1.00 0.82 H new ATOM 0 HA LYS B 7 -4.281 3.901 12.004 1.00 0.88 H new ATOM 0 HB2 LYS B 7 -3.302 1.245 12.993 1.00 1.03 H new ATOM 0 HB3 LYS B 7 -3.534 2.701 13.942 1.00 1.03 H new ATOM 0 HG2 LYS B 7 -5.440 0.640 13.157 1.00 1.31 H new ATOM 0 HG3 LYS B 7 -5.478 1.765 14.501 1.00 1.31 H new ATOM 0 HD2 LYS B 7 -6.499 2.275 11.696 1.00 2.07 H new ATOM 0 HD3 LYS B 7 -7.469 1.940 13.117 1.00 2.07 H new ATOM 0 HE2 LYS B 7 -7.051 4.101 14.048 1.00 3.07 H new ATOM 0 HE3 LYS B 7 -5.721 4.413 12.951 1.00 3.07 H new ATOM 0 HZ1 LYS B 7 -7.207 5.360 11.619 1.00 4.06 H new ATOM 0 HZ2 LYS B 7 -7.859 3.822 11.318 1.00 4.06 H new ATOM 0 HZ3 LYS B 7 -8.515 4.797 12.544 1.00 4.06 H new ATOM 1616 N ALA B 8 -1.507 2.949 10.672 1.00 0.79 N ATOM 1617 CA ALA B 8 -0.240 3.535 10.231 1.00 0.79 C ATOM 1618 C ALA B 8 -0.415 4.900 9.542 1.00 0.71 C ATOM 1619 O ALA B 8 0.305 5.842 9.867 1.00 0.67 O ATOM 1620 CB ALA B 8 0.478 2.561 9.289 1.00 0.90 C ATOM 0 H ALA B 8 -1.764 2.095 10.177 1.00 0.79 H new ATOM 0 HA ALA B 8 0.360 3.709 11.124 1.00 0.79 H new ATOM 0 HB1 ALA B 8 1.421 2.999 8.962 1.00 0.90 H new ATOM 0 HB2 ALA B 8 0.675 1.626 9.814 1.00 0.90 H new ATOM 0 HB3 ALA B 8 -0.151 2.364 8.421 1.00 0.90 H new ATOM 1626 N LEU B 9 -1.364 5.014 8.608 1.00 0.78 N ATOM 1627 CA LEU B 9 -1.633 6.243 7.853 1.00 0.78 C ATOM 1628 C LEU B 9 -2.204 7.324 8.779 1.00 0.77 C ATOM 1629 O LEU B 9 -1.634 8.422 8.813 1.00 0.78 O ATOM 1630 CB LEU B 9 -2.562 5.942 6.659 1.00 0.82 C ATOM 1631 CG LEU B 9 -1.907 5.293 5.418 1.00 0.78 C ATOM 1632 CD1 LEU B 9 -0.927 6.257 4.722 1.00 0.83 C ATOM 1633 CD2 LEU B 9 -1.187 3.971 5.727 1.00 0.83 C ATOM 0 H LEU B 9 -1.978 4.241 8.350 1.00 0.78 H new ATOM 0 HA LEU B 9 -0.699 6.630 7.446 1.00 0.78 H new ATOM 0 HB2 LEU B 9 -3.360 5.285 7.005 1.00 0.82 H new ATOM 0 HB3 LEU B 9 -3.030 6.876 6.348 1.00 0.82 H new ATOM 0 HG LEU B 9 -2.735 5.068 4.746 1.00 0.78 H new ATOM 0 HD11 LEU B 9 -0.487 5.765 3.855 1.00 0.83 H new ATOM 0 HD12 LEU B 9 -1.462 7.150 4.400 1.00 0.83 H new ATOM 0 HD13 LEU B 9 -0.137 6.539 5.419 1.00 0.83 H new ATOM 0 HD21 LEU B 9 -0.751 3.572 4.811 1.00 0.83 H new ATOM 0 HD22 LEU B 9 -0.398 4.149 6.457 1.00 0.83 H new ATOM 0 HD23 LEU B 9 -1.901 3.254 6.132 1.00 0.83 H new ATOM 1645 N THR B 10 -3.218 6.982 9.593 1.00 0.78 N ATOM 1646 CA THR B 10 -3.737 7.777 10.726 1.00 0.81 C ATOM 1647 C THR B 10 -2.598 8.338 11.577 1.00 0.75 C ATOM 1648 O THR B 10 -2.551 9.551 11.774 1.00 0.79 O ATOM 1649 CB THR B 10 -4.679 6.921 11.585 1.00 0.89 C ATOM 1650 OG1 THR B 10 -5.893 6.654 10.923 1.00 1.17 O ATOM 1651 CG2 THR B 10 -5.080 7.594 12.901 1.00 1.60 C ATOM 0 H THR B 10 -3.723 6.104 9.476 1.00 0.78 H new ATOM 0 HA THR B 10 -4.296 8.620 10.321 1.00 0.81 H new ATOM 0 HB THR B 10 -4.106 6.014 11.776 1.00 0.89 H new ATOM 0 HG1 THR B 10 -5.760 6.724 9.955 1.00 1.17 H new ATOM 0 HG21 THR B 10 -5.746 6.935 13.459 1.00 1.60 H new ATOM 0 HG22 THR B 10 -4.188 7.794 13.494 1.00 1.60 H new ATOM 0 HG23 THR B 10 -5.593 8.532 12.688 1.00 1.60 H new ATOM 1659 N THR B 11 -1.648 7.509 12.049 1.00 0.70 N ATOM 1660 CA THR B 11 -0.453 8.005 12.753 1.00 0.65 C ATOM 1661 C THR B 11 0.304 9.003 11.886 1.00 0.58 C ATOM 1662 O THR B 11 0.474 10.137 12.320 1.00 0.59 O ATOM 1663 CB THR B 11 0.442 6.843 13.206 1.00 0.69 C ATOM 1664 OG1 THR B 11 -0.072 6.298 14.395 1.00 1.22 O ATOM 1665 CG2 THR B 11 1.870 7.257 13.551 1.00 1.01 C ATOM 0 H THR B 11 -1.686 6.494 11.955 1.00 0.70 H new ATOM 0 HA THR B 11 -0.774 8.530 13.653 1.00 0.65 H new ATOM 0 HB THR B 11 0.456 6.150 12.365 1.00 0.69 H new ATOM 0 HG1 THR B 11 0.496 5.554 14.686 1.00 1.22 H new ATOM 0 HG21 THR B 11 2.438 6.380 13.862 1.00 1.01 H new ATOM 0 HG22 THR B 11 2.341 7.703 12.675 1.00 1.01 H new ATOM 0 HG23 THR B 11 1.852 7.984 14.363 1.00 1.01 H new ATOM 1673 N MET B 12 0.705 8.646 10.660 1.00 0.59 N ATOM 1674 CA MET B 12 1.538 9.530 9.829 1.00 0.64 C ATOM 1675 C MET B 12 0.895 10.896 9.562 1.00 0.71 C ATOM 1676 O MET B 12 1.610 11.896 9.671 1.00 0.79 O ATOM 1677 CB MET B 12 1.928 8.845 8.509 1.00 0.68 C ATOM 1678 CG MET B 12 2.917 7.704 8.749 1.00 0.78 C ATOM 1679 SD MET B 12 3.534 6.950 7.223 1.00 1.01 S ATOM 1680 CE MET B 12 5.286 6.823 7.651 1.00 1.19 C ATOM 0 H MET B 12 0.469 7.756 10.221 1.00 0.59 H new ATOM 0 HA MET B 12 2.442 9.722 10.407 1.00 0.64 H new ATOM 0 HB2 MET B 12 1.034 8.458 8.019 1.00 0.68 H new ATOM 0 HB3 MET B 12 2.370 9.577 7.833 1.00 0.68 H new ATOM 0 HG2 MET B 12 3.762 8.081 9.326 1.00 0.78 H new ATOM 0 HG3 MET B 12 2.434 6.937 9.355 1.00 0.78 H new ATOM 0 HE1 MET B 12 5.864 6.597 6.755 1.00 1.19 H new ATOM 0 HE2 MET B 12 5.627 7.768 8.074 1.00 1.19 H new ATOM 0 HE3 MET B 12 5.425 6.027 8.383 1.00 1.19 H new ATOM 1690 N VAL B 13 -0.416 10.951 9.285 1.00 0.76 N ATOM 1691 CA VAL B 13 -1.155 12.219 9.120 1.00 0.88 C ATOM 1692 C VAL B 13 -1.281 12.992 10.443 1.00 0.93 C ATOM 1693 O VAL B 13 -1.130 14.212 10.437 1.00 1.04 O ATOM 1694 CB VAL B 13 -2.546 12.057 8.443 1.00 0.98 C ATOM 1695 CG1 VAL B 13 -2.416 11.512 7.011 1.00 1.00 C ATOM 1696 CG2 VAL B 13 -3.540 11.198 9.231 1.00 0.98 C ATOM 0 H VAL B 13 -0.997 10.121 9.168 1.00 0.76 H new ATOM 0 HA VAL B 13 -0.546 12.807 8.433 1.00 0.88 H new ATOM 0 HB VAL B 13 -2.957 13.066 8.420 1.00 0.98 H new ATOM 0 HG11 VAL B 13 -3.407 11.412 6.569 1.00 1.00 H new ATOM 0 HG12 VAL B 13 -1.820 12.200 6.412 1.00 1.00 H new ATOM 0 HG13 VAL B 13 -1.929 10.537 7.036 1.00 1.00 H new ATOM 0 HG21 VAL B 13 -4.482 11.139 8.686 1.00 0.98 H new ATOM 0 HG22 VAL B 13 -3.132 10.195 9.360 1.00 0.98 H new ATOM 0 HG23 VAL B 13 -3.714 11.647 10.209 1.00 0.98 H new ATOM 1706 N THR B 14 -1.491 12.302 11.576 1.00 0.88 N ATOM 1707 CA THR B 14 -1.612 12.921 12.909 1.00 0.94 C ATOM 1708 C THR B 14 -0.307 13.612 13.299 1.00 0.93 C ATOM 1709 O THR B 14 -0.340 14.732 13.807 1.00 1.08 O ATOM 1710 CB THR B 14 -2.038 11.880 13.957 1.00 0.94 C ATOM 1711 OG1 THR B 14 -3.286 11.352 13.578 1.00 1.06 O ATOM 1712 CG2 THR B 14 -2.220 12.482 15.348 1.00 1.30 C ATOM 0 H THR B 14 -1.583 11.286 11.594 1.00 0.88 H new ATOM 0 HA THR B 14 -2.391 13.682 12.870 1.00 0.94 H new ATOM 0 HB THR B 14 -1.250 11.128 14.000 1.00 0.94 H new ATOM 0 HG1 THR B 14 -3.154 10.490 13.131 1.00 1.06 H new ATOM 0 HG21 THR B 14 -2.521 11.701 16.046 1.00 1.30 H new ATOM 0 HG22 THR B 14 -1.280 12.923 15.680 1.00 1.30 H new ATOM 0 HG23 THR B 14 -2.990 13.253 15.313 1.00 1.30 H new ATOM 1720 N THR B 15 0.834 12.978 13.008 1.00 0.81 N ATOM 1721 CA THR B 15 2.187 13.511 13.220 1.00 0.79 C ATOM 1722 C THR B 15 2.521 14.631 12.239 1.00 0.77 C ATOM 1723 O THR B 15 3.000 15.678 12.660 1.00 0.93 O ATOM 1724 CB THR B 15 3.193 12.361 13.105 1.00 0.71 C ATOM 1725 OG1 THR B 15 2.823 11.321 13.975 1.00 1.90 O ATOM 1726 CG2 THR B 15 4.581 12.800 13.537 1.00 1.90 C ATOM 0 H THR B 15 0.842 12.042 12.602 1.00 0.81 H new ATOM 0 HA THR B 15 2.239 13.949 14.217 1.00 0.79 H new ATOM 0 HB THR B 15 3.199 12.042 12.063 1.00 0.71 H new ATOM 0 HG1 THR B 15 2.077 10.819 13.586 1.00 1.90 H new ATOM 0 HG21 THR B 15 5.273 11.963 13.444 1.00 1.90 H new ATOM 0 HG22 THR B 15 4.917 13.620 12.903 1.00 1.90 H new ATOM 0 HG23 THR B 15 4.551 13.133 14.575 1.00 1.90 H new ATOM 1734 N PHE B 16 2.262 14.452 10.941 1.00 0.68 N ATOM 1735 CA PHE B 16 2.562 15.439 9.894 1.00 0.69 C ATOM 1736 C PHE B 16 1.787 16.752 10.095 1.00 0.78 C ATOM 1737 O PHE B 16 2.355 17.843 9.990 1.00 0.85 O ATOM 1738 CB PHE B 16 2.245 14.786 8.544 1.00 0.69 C ATOM 1739 CG PHE B 16 2.629 15.569 7.307 1.00 0.70 C ATOM 1740 CD1 PHE B 16 1.719 16.476 6.732 1.00 1.65 C ATOM 1741 CD2 PHE B 16 3.868 15.332 6.678 1.00 1.73 C ATOM 1742 CE1 PHE B 16 2.048 17.139 5.539 1.00 1.65 C ATOM 1743 CE2 PHE B 16 4.174 15.963 5.459 1.00 1.77 C ATOM 1744 CZ PHE B 16 3.267 16.874 4.893 1.00 0.77 C ATOM 0 H PHE B 16 1.830 13.602 10.579 1.00 0.68 H new ATOM 0 HA PHE B 16 3.614 15.719 9.937 1.00 0.69 H new ATOM 0 HB2 PHE B 16 2.749 13.820 8.506 1.00 0.69 H new ATOM 0 HB3 PHE B 16 1.174 14.589 8.504 1.00 0.69 H new ATOM 0 HD1 PHE B 16 0.768 16.662 7.209 1.00 1.65 H new ATOM 0 HD2 PHE B 16 4.584 14.664 7.133 1.00 1.73 H new ATOM 0 HE1 PHE B 16 1.360 17.856 5.116 1.00 1.65 H new ATOM 0 HE2 PHE B 16 5.106 15.747 4.958 1.00 1.77 H new ATOM 0 HZ PHE B 16 3.506 17.369 3.964 1.00 0.77 H new ATOM 1754 N HIS B 17 0.505 16.662 10.470 1.00 0.85 N ATOM 1755 CA HIS B 17 -0.336 17.824 10.771 1.00 0.97 C ATOM 1756 C HIS B 17 0.110 18.604 12.026 1.00 1.06 C ATOM 1757 O HIS B 17 -0.316 19.744 12.218 1.00 1.28 O ATOM 1758 CB HIS B 17 -1.812 17.388 10.799 1.00 0.94 C ATOM 1759 CG HIS B 17 -2.780 18.527 10.563 1.00 1.27 C ATOM 1760 ND1 HIS B 17 -3.076 19.539 11.441 1.00 2.30 N ATOM 1761 CD2 HIS B 17 -3.494 18.775 9.420 1.00 1.20 C ATOM 1762 CE1 HIS B 17 -3.950 20.369 10.848 1.00 2.55 C ATOM 1763 NE2 HIS B 17 -4.235 19.947 9.607 1.00 1.86 N ATOM 0 H HIS B 17 0.019 15.771 10.574 1.00 0.85 H new ATOM 0 HA HIS B 17 -0.213 18.554 9.971 1.00 0.97 H new ATOM 0 HB2 HIS B 17 -1.971 16.622 10.040 1.00 0.94 H new ATOM 0 HB3 HIS B 17 -2.030 16.930 11.764 1.00 0.94 H new ATOM 0 HD1 HIS B 17 -2.697 19.643 12.382 1.00 2.30 H new ATOM 0 HD2 HIS B 17 -3.486 18.169 8.526 1.00 1.20 H new ATOM 0 HE1 HIS B 17 -4.366 21.254 11.307 1.00 2.55 H new ATOM 1772 N LYS B 18 1.034 18.082 12.843 1.00 1.04 N ATOM 1773 CA LYS B 18 1.699 18.850 13.910 1.00 1.15 C ATOM 1774 C LYS B 18 2.608 19.983 13.364 1.00 1.05 C ATOM 1775 O LYS B 18 2.968 20.886 14.118 1.00 1.27 O ATOM 1776 CB LYS B 18 2.433 17.855 14.844 1.00 1.26 C ATOM 1777 CG LYS B 18 2.587 18.333 16.303 1.00 1.93 C ATOM 1778 CD LYS B 18 3.964 18.908 16.677 1.00 2.97 C ATOM 1779 CE LYS B 18 5.099 17.873 16.740 1.00 4.07 C ATOM 1780 NZ LYS B 18 4.950 16.874 17.825 1.00 4.44 N ATOM 0 H LYS B 18 1.344 17.112 12.784 1.00 1.04 H new ATOM 0 HA LYS B 18 0.949 19.384 14.494 1.00 1.15 H new ATOM 0 HB2 LYS B 18 1.892 16.909 14.841 1.00 1.26 H new ATOM 0 HB3 LYS B 18 3.424 17.657 14.435 1.00 1.26 H new ATOM 0 HG2 LYS B 18 1.831 19.094 16.498 1.00 1.93 H new ATOM 0 HG3 LYS B 18 2.373 17.494 16.965 1.00 1.93 H new ATOM 0 HD2 LYS B 18 4.231 19.676 15.951 1.00 2.97 H new ATOM 0 HD3 LYS B 18 3.886 19.400 17.646 1.00 2.97 H new ATOM 0 HE2 LYS B 18 5.153 17.350 15.785 1.00 4.07 H new ATOM 0 HE3 LYS B 18 6.046 18.396 16.871 1.00 4.07 H new ATOM 0 HZ1 LYS B 18 5.890 16.563 18.142 1.00 4.44 H new ATOM 0 HZ2 LYS B 18 4.440 17.302 18.624 1.00 4.44 H new ATOM 0 HZ3 LYS B 18 4.415 16.055 17.472 1.00 4.44 H new ATOM 1794 N TYR B 19 2.980 19.933 12.069 1.00 0.81 N ATOM 1795 CA TYR B 19 3.874 20.890 11.398 1.00 0.79 C ATOM 1796 C TYR B 19 3.338 21.431 10.051 1.00 0.83 C ATOM 1797 O TYR B 19 3.658 22.558 9.689 1.00 1.41 O ATOM 1798 CB TYR B 19 5.206 20.178 11.140 1.00 0.87 C ATOM 1799 CG TYR B 19 5.940 19.671 12.363 1.00 0.99 C ATOM 1800 CD1 TYR B 19 6.765 20.536 13.102 1.00 2.49 C ATOM 1801 CD2 TYR B 19 5.835 18.312 12.725 1.00 1.41 C ATOM 1802 CE1 TYR B 19 7.560 20.029 14.149 1.00 2.72 C ATOM 1803 CE2 TYR B 19 6.593 17.807 13.793 1.00 1.47 C ATOM 1804 CZ TYR B 19 7.480 18.658 14.491 1.00 1.52 C ATOM 1805 OH TYR B 19 8.238 18.159 15.501 1.00 1.87 O ATOM 0 H TYR B 19 2.653 19.198 11.442 1.00 0.81 H new ATOM 0 HA TYR B 19 3.969 21.754 12.056 1.00 0.79 H new ATOM 0 HB2 TYR B 19 5.020 19.333 10.477 1.00 0.87 H new ATOM 0 HB3 TYR B 19 5.863 20.864 10.606 1.00 0.87 H new ATOM 0 HD1 TYR B 19 6.790 21.590 12.867 1.00 2.49 H new ATOM 0 HD2 TYR B 19 5.170 17.659 12.179 1.00 1.41 H new ATOM 0 HE1 TYR B 19 8.228 20.684 14.689 1.00 2.72 H new ATOM 0 HE2 TYR B 19 6.499 16.770 14.081 1.00 1.47 H new ATOM 0 HH TYR B 19 8.058 17.201 15.602 1.00 1.87 H new ATOM 1815 N SER B 20 2.526 20.677 9.308 1.00 0.69 N ATOM 1816 CA SER B 20 1.765 21.208 8.165 1.00 0.68 C ATOM 1817 C SER B 20 0.509 21.984 8.594 1.00 0.87 C ATOM 1818 O SER B 20 0.038 22.857 7.868 1.00 1.40 O ATOM 1819 CB SER B 20 1.344 20.063 7.250 1.00 0.76 C ATOM 1820 OG SER B 20 0.343 19.255 7.834 1.00 1.47 O ATOM 0 H SER B 20 2.374 19.683 9.477 1.00 0.69 H new ATOM 0 HA SER B 20 2.424 21.902 7.644 1.00 0.68 H new ATOM 0 HB2 SER B 20 0.977 20.469 6.308 1.00 0.76 H new ATOM 0 HB3 SER B 20 2.213 19.449 7.015 1.00 0.76 H new ATOM 0 HG SER B 20 -0.413 19.172 7.215 1.00 1.47 H new ATOM 1826 N GLY B 21 -0.028 21.694 9.787 1.00 1.00 N ATOM 1827 CA GLY B 21 -1.211 22.334 10.374 1.00 1.27 C ATOM 1828 C GLY B 21 -0.883 23.696 10.966 1.00 1.33 C ATOM 1829 O GLY B 21 -1.251 23.993 12.101 1.00 1.91 O ATOM 0 H GLY B 21 0.368 20.976 10.394 1.00 1.00 H new ATOM 0 HA2 GLY B 21 -1.980 22.446 9.610 1.00 1.27 H new ATOM 0 HA3 GLY B 21 -1.624 21.690 11.151 1.00 1.27 H new ATOM 1832 N ARG B 22 -0.143 24.500 10.201 1.00 1.44 N ATOM 1833 CA ARG B 22 0.398 25.782 10.597 1.00 1.74 C ATOM 1834 C ARG B 22 -0.240 26.839 9.701 1.00 2.08 C ATOM 1835 O ARG B 22 -1.319 27.338 10.007 1.00 2.90 O ATOM 1836 CB ARG B 22 1.937 25.702 10.505 1.00 2.12 C ATOM 1837 CG ARG B 22 2.571 24.829 11.607 1.00 2.02 C ATOM 1838 CD ARG B 22 2.381 25.331 13.045 1.00 2.34 C ATOM 1839 NE ARG B 22 2.880 26.711 13.203 1.00 3.00 N ATOM 1840 CZ ARG B 22 2.187 27.833 13.014 1.00 4.46 C ATOM 1841 NH1 ARG B 22 0.875 27.890 12.970 1.00 5.74 N ATOM 1842 NH2 ARG B 22 2.801 28.963 12.768 1.00 5.30 N ATOM 0 H ARG B 22 0.102 24.254 9.242 1.00 1.44 H new ATOM 0 HA ARG B 22 0.169 26.056 11.627 1.00 1.74 H new ATOM 0 HB2 ARG B 22 2.215 25.302 9.530 1.00 2.12 H new ATOM 0 HB3 ARG B 22 2.350 26.709 10.566 1.00 2.12 H new ATOM 0 HG2 ARG B 22 2.154 23.825 11.534 1.00 2.02 H new ATOM 0 HG3 ARG B 22 3.640 24.745 11.409 1.00 2.02 H new ATOM 0 HD2 ARG B 22 1.324 25.292 13.309 1.00 2.34 H new ATOM 0 HD3 ARG B 22 2.907 24.671 13.735 1.00 2.34 H new ATOM 0 HE ARG B 22 3.854 26.816 13.486 1.00 3.00 H new ATOM 0 HH11 ARG B 22 0.323 27.040 13.084 1.00 5.74 H new ATOM 0 HH12 ARG B 22 0.408 28.785 12.822 1.00 5.74 H new ATOM 0 HH21 ARG B 22 3.819 28.990 12.720 1.00 5.30 H new ATOM 0 HH22 ARG B 22 2.261 29.816 12.625 1.00 5.30 H new ATOM 1856 N GLU B 23 0.364 27.086 8.548 1.00 1.98 N ATOM 1857 CA GLU B 23 -0.113 27.965 7.493 1.00 2.42 C ATOM 1858 C GLU B 23 0.244 27.317 6.139 1.00 2.21 C ATOM 1859 O GLU B 23 0.999 26.348 6.105 1.00 2.90 O ATOM 1860 CB GLU B 23 0.562 29.337 7.643 1.00 3.41 C ATOM 1861 CG GLU B 23 0.202 30.148 8.912 1.00 4.47 C ATOM 1862 CD GLU B 23 1.003 29.786 10.175 1.00 4.97 C ATOM 1863 OE1 GLU B 23 2.092 29.192 10.052 1.00 4.94 O ATOM 1864 OE2 GLU B 23 0.558 30.083 11.309 1.00 6.11 O ATOM 0 H GLU B 23 1.255 26.651 8.311 1.00 1.98 H new ATOM 0 HA GLU B 23 -1.192 28.107 7.552 1.00 2.42 H new ATOM 0 HB2 GLU B 23 1.642 29.190 7.627 1.00 3.41 H new ATOM 0 HB3 GLU B 23 0.309 29.939 6.770 1.00 3.41 H new ATOM 0 HG2 GLU B 23 0.349 31.207 8.700 1.00 4.47 H new ATOM 0 HG3 GLU B 23 -0.858 30.010 9.123 1.00 4.47 H new ATOM 1871 N GLY B 24 -0.278 27.836 5.021 1.00 2.53 N ATOM 1872 CA GLY B 24 -0.007 27.309 3.675 1.00 2.80 C ATOM 1873 C GLY B 24 -1.074 26.319 3.226 1.00 2.22 C ATOM 1874 O GLY B 24 -2.102 26.718 2.683 1.00 2.89 O ATOM 0 H GLY B 24 -0.906 28.640 5.024 1.00 2.53 H new ATOM 0 HA2 GLY B 24 0.043 28.135 2.965 1.00 2.80 H new ATOM 0 HA3 GLY B 24 0.968 26.821 3.666 1.00 2.80 H new ATOM 1877 N SER B 25 -0.851 25.020 3.422 1.00 1.72 N ATOM 1878 CA SER B 25 -1.746 23.937 2.983 1.00 1.47 C ATOM 1879 C SER B 25 -1.350 22.612 3.634 1.00 1.43 C ATOM 1880 O SER B 25 -0.250 22.116 3.428 1.00 2.08 O ATOM 1881 CB SER B 25 -1.754 23.792 1.452 1.00 2.23 C ATOM 1882 OG SER B 25 -2.687 24.703 0.905 1.00 3.48 O ATOM 0 H SER B 25 -0.020 24.677 3.904 1.00 1.72 H new ATOM 0 HA SER B 25 -2.755 24.201 3.301 1.00 1.47 H new ATOM 0 HB2 SER B 25 -0.759 23.986 1.051 1.00 2.23 H new ATOM 0 HB3 SER B 25 -2.017 22.772 1.172 1.00 2.23 H new ATOM 0 HG SER B 25 -2.657 25.544 1.408 1.00 3.48 H new ATOM 1888 N LYS B 26 -2.247 22.002 4.420 1.00 1.13 N ATOM 1889 CA LYS B 26 -1.850 21.019 5.451 1.00 1.21 C ATOM 1890 C LYS B 26 -1.346 19.650 4.924 1.00 1.18 C ATOM 1891 O LYS B 26 -1.127 18.721 5.708 1.00 1.43 O ATOM 1892 CB LYS B 26 -2.957 20.857 6.520 1.00 1.54 C ATOM 1893 CG LYS B 26 -3.870 22.075 6.774 1.00 1.56 C ATOM 1894 CD LYS B 26 -5.169 21.962 5.958 1.00 1.75 C ATOM 1895 CE LYS B 26 -5.941 23.277 5.892 1.00 1.83 C ATOM 1896 NZ LYS B 26 -7.181 23.148 5.088 1.00 2.09 N ATOM 0 H LYS B 26 -3.252 22.168 4.366 1.00 1.13 H new ATOM 0 HA LYS B 26 -0.965 21.452 5.916 1.00 1.21 H new ATOM 0 HB2 LYS B 26 -3.587 20.016 6.230 1.00 1.54 H new ATOM 0 HB3 LYS B 26 -2.481 20.588 7.463 1.00 1.54 H new ATOM 0 HG2 LYS B 26 -4.107 22.143 7.836 1.00 1.56 H new ATOM 0 HG3 LYS B 26 -3.345 22.992 6.505 1.00 1.56 H new ATOM 0 HD2 LYS B 26 -4.930 21.635 4.946 1.00 1.75 H new ATOM 0 HD3 LYS B 26 -5.805 21.194 6.399 1.00 1.75 H new ATOM 0 HE2 LYS B 26 -6.194 23.601 6.901 1.00 1.83 H new ATOM 0 HE3 LYS B 26 -5.306 24.050 5.459 1.00 1.83 H new ATOM 0 HZ1 LYS B 26 -7.807 23.956 5.283 1.00 2.09 H new ATOM 0 HZ2 LYS B 26 -6.939 23.133 4.077 1.00 2.09 H new ATOM 0 HZ3 LYS B 26 -7.668 22.264 5.340 1.00 2.09 H new ATOM 1910 N LEU B 27 -1.186 19.510 3.603 1.00 1.04 N ATOM 1911 CA LEU B 27 -0.645 18.329 2.921 1.00 1.08 C ATOM 1912 C LEU B 27 0.814 18.508 2.481 1.00 0.95 C ATOM 1913 O LEU B 27 1.505 17.497 2.357 1.00 1.06 O ATOM 1914 CB LEU B 27 -1.530 17.995 1.708 1.00 1.35 C ATOM 1915 CG LEU B 27 -2.951 17.447 1.999 1.00 1.85 C ATOM 1916 CD1 LEU B 27 -3.138 16.106 1.272 1.00 2.71 C ATOM 1917 CD2 LEU B 27 -3.341 17.260 3.477 1.00 2.63 C ATOM 0 H LEU B 27 -1.442 20.251 2.951 1.00 1.04 H new ATOM 0 HA LEU B 27 -0.653 17.505 3.635 1.00 1.08 H new ATOM 0 HB2 LEU B 27 -1.633 18.898 1.106 1.00 1.35 H new ATOM 0 HB3 LEU B 27 -1.003 17.262 1.097 1.00 1.35 H new ATOM 0 HG LEU B 27 -3.614 18.231 1.633 1.00 1.85 H new ATOM 0 HD11 LEU B 27 -4.136 15.718 1.475 1.00 2.71 H new ATOM 0 HD12 LEU B 27 -3.017 16.254 0.199 1.00 2.71 H new ATOM 0 HD13 LEU B 27 -2.393 15.393 1.626 1.00 2.71 H new ATOM 0 HD21 LEU B 27 -4.358 16.872 3.539 1.00 2.63 H new ATOM 0 HD22 LEU B 27 -2.655 16.556 3.948 1.00 2.63 H new ATOM 0 HD23 LEU B 27 -3.287 18.219 3.992 1.00 2.63 H new ATOM 1929 N THR B 28 1.292 19.747 2.314 1.00 0.96 N ATOM 1930 CA THR B 28 2.721 20.068 2.250 1.00 0.83 C ATOM 1931 C THR B 28 3.195 20.554 3.616 1.00 0.81 C ATOM 1932 O THR B 28 2.398 20.791 4.526 1.00 1.03 O ATOM 1933 CB THR B 28 3.029 21.109 1.160 1.00 0.84 C ATOM 1934 OG1 THR B 28 2.333 22.315 1.392 1.00 0.96 O ATOM 1935 CG2 THR B 28 2.664 20.608 -0.237 1.00 0.96 C ATOM 0 H THR B 28 0.689 20.564 2.218 1.00 0.96 H new ATOM 0 HA THR B 28 3.263 19.161 1.981 1.00 0.83 H new ATOM 0 HB THR B 28 4.104 21.282 1.207 1.00 0.84 H new ATOM 0 HG1 THR B 28 2.821 23.059 0.981 1.00 0.96 H new ATOM 0 HG21 THR B 28 2.899 21.377 -0.972 1.00 0.96 H new ATOM 0 HG22 THR B 28 3.234 19.706 -0.460 1.00 0.96 H new ATOM 0 HG23 THR B 28 1.598 20.383 -0.276 1.00 0.96 H new ATOM 1943 N LEU B 29 4.510 20.729 3.766 1.00 0.69 N ATOM 1944 CA LEU B 29 5.136 21.461 4.877 1.00 0.68 C ATOM 1945 C LEU B 29 6.507 21.973 4.432 1.00 0.65 C ATOM 1946 O LEU B 29 6.975 21.618 3.351 1.00 0.68 O ATOM 1947 CB LEU B 29 5.167 20.631 6.186 1.00 0.70 C ATOM 1948 CG LEU B 29 6.360 19.675 6.403 1.00 0.63 C ATOM 1949 CD1 LEU B 29 6.159 18.905 7.714 1.00 0.78 C ATOM 1950 CD2 LEU B 29 6.531 18.668 5.272 1.00 0.79 C ATOM 0 H LEU B 29 5.189 20.357 3.102 1.00 0.69 H new ATOM 0 HA LEU B 29 4.526 22.329 5.128 1.00 0.68 H new ATOM 0 HB2 LEU B 29 5.138 21.327 7.025 1.00 0.70 H new ATOM 0 HB3 LEU B 29 4.252 20.040 6.230 1.00 0.70 H new ATOM 0 HG LEU B 29 7.258 20.292 6.435 1.00 0.63 H new ATOM 0 HD11 LEU B 29 6.999 18.229 7.871 1.00 0.78 H new ATOM 0 HD12 LEU B 29 6.100 19.609 8.544 1.00 0.78 H new ATOM 0 HD13 LEU B 29 5.235 18.329 7.660 1.00 0.78 H new ATOM 0 HD21 LEU B 29 7.386 18.025 5.483 1.00 0.79 H new ATOM 0 HD22 LEU B 29 5.631 18.059 5.188 1.00 0.79 H new ATOM 0 HD23 LEU B 29 6.699 19.199 4.335 1.00 0.79 H new ATOM 1962 N SER B 30 7.160 22.816 5.234 1.00 0.74 N ATOM 1963 CA SER B 30 8.444 23.361 4.798 1.00 0.78 C ATOM 1964 C SER B 30 9.569 22.313 4.754 1.00 0.67 C ATOM 1965 O SER B 30 9.668 21.371 5.547 1.00 0.62 O ATOM 1966 CB SER B 30 8.892 24.602 5.581 1.00 0.95 C ATOM 1967 OG SER B 30 9.623 24.226 6.731 1.00 1.58 O ATOM 0 H SER B 30 6.838 23.126 6.151 1.00 0.74 H new ATOM 0 HA SER B 30 8.254 23.683 3.774 1.00 0.78 H new ATOM 0 HB2 SER B 30 9.507 25.238 4.944 1.00 0.95 H new ATOM 0 HB3 SER B 30 8.021 25.189 5.873 1.00 0.95 H new ATOM 0 HG SER B 30 9.334 24.768 7.494 1.00 1.58 H new ATOM 1973 N ARG B 31 10.505 22.547 3.844 1.00 0.87 N ATOM 1974 CA ARG B 31 11.685 21.729 3.604 1.00 1.01 C ATOM 1975 C ARG B 31 12.573 21.532 4.850 1.00 0.86 C ATOM 1976 O ARG B 31 13.198 20.481 4.983 1.00 1.14 O ATOM 1977 CB ARG B 31 12.384 22.414 2.430 1.00 1.59 C ATOM 1978 CG ARG B 31 13.590 21.685 1.859 1.00 1.34 C ATOM 1979 CD ARG B 31 13.083 20.444 1.134 1.00 1.13 C ATOM 1980 NE ARG B 31 14.121 19.867 0.278 1.00 1.73 N ATOM 1981 CZ ARG B 31 14.547 20.409 -0.853 1.00 2.88 C ATOM 1982 NH1 ARG B 31 13.863 21.349 -1.464 1.00 3.63 N ATOM 1983 NH2 ARG B 31 15.680 20.027 -1.379 1.00 4.02 N ATOM 0 H ARG B 31 10.459 23.354 3.222 1.00 0.87 H new ATOM 0 HA ARG B 31 11.425 20.698 3.365 1.00 1.01 H new ATOM 0 HB2 ARG B 31 11.656 22.554 1.631 1.00 1.59 H new ATOM 0 HB3 ARG B 31 12.701 23.406 2.750 1.00 1.59 H new ATOM 0 HG2 ARG B 31 14.138 22.331 1.173 1.00 1.34 H new ATOM 0 HG3 ARG B 31 14.281 21.407 2.655 1.00 1.34 H new ATOM 0 HD2 ARG B 31 12.756 19.702 1.863 1.00 1.13 H new ATOM 0 HD3 ARG B 31 12.213 20.703 0.530 1.00 1.13 H new ATOM 0 HE ARG B 31 14.545 18.987 0.573 1.00 1.73 H new ATOM 0 HH11 ARG B 31 12.982 21.678 -1.068 1.00 3.63 H new ATOM 0 HH12 ARG B 31 14.213 21.750 -2.334 1.00 3.63 H new ATOM 0 HH21 ARG B 31 16.240 19.309 -0.919 1.00 4.02 H new ATOM 0 HH22 ARG B 31 16.005 20.447 -2.250 1.00 4.02 H new ATOM 1997 N LYS B 32 12.582 22.483 5.803 1.00 0.69 N ATOM 1998 CA LYS B 32 13.190 22.315 7.131 1.00 0.81 C ATOM 1999 C LYS B 32 12.229 21.874 8.248 1.00 0.72 C ATOM 2000 O LYS B 32 12.698 21.227 9.185 1.00 0.81 O ATOM 2001 CB LYS B 32 14.178 23.447 7.479 1.00 1.44 C ATOM 2002 CG LYS B 32 13.651 24.880 7.452 1.00 1.55 C ATOM 2003 CD LYS B 32 12.922 25.315 8.721 1.00 2.75 C ATOM 2004 CE LYS B 32 11.730 26.123 8.219 1.00 4.49 C ATOM 2005 NZ LYS B 32 10.752 26.461 9.268 1.00 6.44 N ATOM 0 H LYS B 32 12.160 23.402 5.667 1.00 0.69 H new ATOM 0 HA LYS B 32 13.818 21.428 7.054 1.00 0.81 H new ATOM 0 HB2 LYS B 32 14.573 23.253 8.476 1.00 1.44 H new ATOM 0 HB3 LYS B 32 15.017 23.385 6.786 1.00 1.44 H new ATOM 0 HG2 LYS B 32 14.487 25.557 7.279 1.00 1.55 H new ATOM 0 HG3 LYS B 32 12.974 24.988 6.605 1.00 1.55 H new ATOM 0 HD2 LYS B 32 12.600 24.455 9.308 1.00 2.75 H new ATOM 0 HD3 LYS B 32 13.567 25.916 9.363 1.00 2.75 H new ATOM 0 HE2 LYS B 32 12.094 27.045 7.765 1.00 4.49 H new ATOM 0 HE3 LYS B 32 11.226 25.559 7.434 1.00 4.49 H new ATOM 0 HZ1 LYS B 32 9.815 26.597 8.838 1.00 6.44 H new ATOM 0 HZ2 LYS B 32 10.706 25.687 9.962 1.00 6.44 H new ATOM 0 HZ3 LYS B 32 11.044 27.337 9.746 1.00 6.44 H new ATOM 2019 N GLU B 33 10.913 22.059 8.109 1.00 0.66 N ATOM 2020 CA GLU B 33 9.939 21.360 8.969 1.00 0.69 C ATOM 2021 C GLU B 33 10.040 19.844 8.799 1.00 0.71 C ATOM 2022 O GLU B 33 10.105 19.164 9.814 1.00 0.78 O ATOM 2023 CB GLU B 33 8.476 21.797 8.748 1.00 0.83 C ATOM 2024 CG GLU B 33 7.978 22.797 9.796 1.00 1.02 C ATOM 2025 CD GLU B 33 8.767 24.089 9.726 1.00 2.17 C ATOM 2026 OE1 GLU B 33 8.460 24.924 8.843 1.00 3.33 O ATOM 2027 OE2 GLU B 33 9.760 24.239 10.464 1.00 2.93 O ATOM 0 H GLU B 33 10.495 22.680 7.417 1.00 0.66 H new ATOM 0 HA GLU B 33 10.209 21.645 9.986 1.00 0.69 H new ATOM 0 HB2 GLU B 33 8.383 22.242 7.758 1.00 0.83 H new ATOM 0 HB3 GLU B 33 7.835 20.916 8.763 1.00 0.83 H new ATOM 0 HG2 GLU B 33 6.920 23.003 9.635 1.00 1.02 H new ATOM 0 HG3 GLU B 33 8.070 22.363 10.792 1.00 1.02 H new ATOM 2034 N LEU B 34 10.143 19.301 7.573 1.00 0.69 N ATOM 2035 CA LEU B 34 10.352 17.854 7.408 1.00 0.71 C ATOM 2036 C LEU B 34 11.579 17.377 8.205 1.00 0.67 C ATOM 2037 O LEU B 34 11.539 16.382 8.929 1.00 0.68 O ATOM 2038 CB LEU B 34 10.506 17.506 5.911 1.00 0.78 C ATOM 2039 CG LEU B 34 10.716 15.993 5.683 1.00 0.82 C ATOM 2040 CD1 LEU B 34 9.483 15.197 6.127 1.00 1.04 C ATOM 2041 CD2 LEU B 34 11.035 15.642 4.229 1.00 1.15 C ATOM 0 H LEU B 34 10.086 19.828 6.702 1.00 0.69 H new ATOM 0 HA LEU B 34 9.478 17.335 7.801 1.00 0.71 H new ATOM 0 HB2 LEU B 34 9.618 17.833 5.370 1.00 0.78 H new ATOM 0 HB3 LEU B 34 11.352 18.055 5.497 1.00 0.78 H new ATOM 0 HG LEU B 34 11.580 15.720 6.289 1.00 0.82 H new ATOM 0 HD11 LEU B 34 9.655 14.134 5.956 1.00 1.04 H new ATOM 0 HD12 LEU B 34 9.301 15.370 7.188 1.00 1.04 H new ATOM 0 HD13 LEU B 34 8.615 15.521 5.553 1.00 1.04 H new ATOM 0 HD21 LEU B 34 11.171 14.565 4.136 1.00 1.15 H new ATOM 0 HD22 LEU B 34 10.212 15.960 3.589 1.00 1.15 H new ATOM 0 HD23 LEU B 34 11.949 16.151 3.924 1.00 1.15 H new ATOM 2053 N LYS B 35 12.677 18.133 8.078 1.00 0.72 N ATOM 2054 CA LYS B 35 13.963 17.896 8.729 1.00 0.87 C ATOM 2055 C LYS B 35 13.863 17.915 10.268 1.00 0.92 C ATOM 2056 O LYS B 35 14.552 17.142 10.934 1.00 1.07 O ATOM 2057 CB LYS B 35 14.916 18.975 8.166 1.00 1.03 C ATOM 2058 CG LYS B 35 16.373 18.541 8.019 1.00 1.90 C ATOM 2059 CD LYS B 35 17.206 18.619 9.310 1.00 1.67 C ATOM 2060 CE LYS B 35 18.216 19.758 9.219 1.00 2.01 C ATOM 2061 NZ LYS B 35 19.286 19.469 8.231 1.00 3.00 N ATOM 0 H LYS B 35 12.689 18.966 7.489 1.00 0.72 H new ATOM 0 HA LYS B 35 14.340 16.896 8.514 1.00 0.87 H new ATOM 0 HB2 LYS B 35 14.547 19.290 7.190 1.00 1.03 H new ATOM 0 HB3 LYS B 35 14.877 19.848 8.818 1.00 1.03 H new ATOM 0 HG2 LYS B 35 16.396 17.515 7.651 1.00 1.90 H new ATOM 0 HG3 LYS B 35 16.847 19.163 7.260 1.00 1.90 H new ATOM 0 HD2 LYS B 35 16.549 18.774 10.166 1.00 1.67 H new ATOM 0 HD3 LYS B 35 17.726 17.675 9.473 1.00 1.67 H new ATOM 0 HE2 LYS B 35 17.702 20.678 8.940 1.00 2.01 H new ATOM 0 HE3 LYS B 35 18.662 19.927 10.199 1.00 2.01 H new ATOM 0 HZ1 LYS B 35 19.766 20.354 7.971 1.00 3.00 H new ATOM 0 HZ2 LYS B 35 19.975 18.811 8.648 1.00 3.00 H new ATOM 0 HZ3 LYS B 35 18.867 19.040 7.381 1.00 3.00 H new ATOM 2075 N GLU B 36 13.003 18.772 10.810 1.00 0.84 N ATOM 2076 CA GLU B 36 12.676 18.864 12.234 1.00 0.89 C ATOM 2077 C GLU B 36 11.826 17.656 12.676 1.00 0.91 C ATOM 2078 O GLU B 36 12.221 16.915 13.582 1.00 1.13 O ATOM 2079 CB GLU B 36 11.956 20.217 12.445 1.00 0.93 C ATOM 2080 CG GLU B 36 11.489 20.530 13.869 1.00 1.06 C ATOM 2081 CD GLU B 36 12.629 20.838 14.833 1.00 1.70 C ATOM 2082 OE1 GLU B 36 13.803 20.498 14.565 1.00 2.67 O ATOM 2083 OE2 GLU B 36 12.341 21.307 15.951 1.00 2.36 O ATOM 0 H GLU B 36 12.492 19.452 10.247 1.00 0.84 H new ATOM 0 HA GLU B 36 13.572 18.832 12.854 1.00 0.89 H new ATOM 0 HB2 GLU B 36 12.627 21.014 12.124 1.00 0.93 H new ATOM 0 HB3 GLU B 36 11.087 20.247 11.787 1.00 0.93 H new ATOM 0 HG2 GLU B 36 10.809 21.381 13.840 1.00 1.06 H new ATOM 0 HG3 GLU B 36 10.921 19.681 14.251 1.00 1.06 H new ATOM 2090 N LEU B 37 10.717 17.421 11.964 1.00 0.78 N ATOM 2091 CA LEU B 37 9.734 16.354 12.158 1.00 0.79 C ATOM 2092 C LEU B 37 10.407 14.987 12.310 1.00 0.84 C ATOM 2093 O LEU B 37 10.164 14.297 13.301 1.00 0.90 O ATOM 2094 CB LEU B 37 8.740 16.459 10.968 1.00 0.75 C ATOM 2095 CG LEU B 37 7.870 15.252 10.561 1.00 0.88 C ATOM 2096 CD1 LEU B 37 7.015 14.688 11.695 1.00 1.22 C ATOM 2097 CD2 LEU B 37 6.930 15.664 9.419 1.00 1.19 C ATOM 0 H LEU B 37 10.467 18.020 11.177 1.00 0.78 H new ATOM 0 HA LEU B 37 9.183 16.466 13.092 1.00 0.79 H new ATOM 0 HB2 LEU B 37 8.062 17.284 11.188 1.00 0.75 H new ATOM 0 HB3 LEU B 37 9.319 16.748 10.091 1.00 0.75 H new ATOM 0 HG LEU B 37 8.567 14.470 10.260 1.00 0.88 H new ATOM 0 HD11 LEU B 37 6.434 13.843 11.327 1.00 1.22 H new ATOM 0 HD12 LEU B 37 7.661 14.357 12.508 1.00 1.22 H new ATOM 0 HD13 LEU B 37 6.339 15.461 12.060 1.00 1.22 H new ATOM 0 HD21 LEU B 37 6.314 14.813 9.130 1.00 1.19 H new ATOM 0 HD22 LEU B 37 6.288 16.480 9.752 1.00 1.19 H new ATOM 0 HD23 LEU B 37 7.520 15.993 8.563 1.00 1.19 H new ATOM 2109 N ILE B 38 11.273 14.603 11.369 1.00 0.84 N ATOM 2110 CA ILE B 38 11.923 13.277 11.350 1.00 0.93 C ATOM 2111 C ILE B 38 12.850 13.037 12.555 1.00 1.08 C ATOM 2112 O ILE B 38 12.951 11.898 13.007 1.00 1.31 O ATOM 2113 CB ILE B 38 12.631 13.066 9.987 1.00 0.96 C ATOM 2114 CG1 ILE B 38 11.546 12.982 8.885 1.00 1.12 C ATOM 2115 CG2 ILE B 38 13.537 11.813 9.967 1.00 1.38 C ATOM 2116 CD1 ILE B 38 12.124 12.858 7.480 1.00 1.35 C ATOM 0 H ILE B 38 11.549 15.202 10.591 1.00 0.84 H new ATOM 0 HA ILE B 38 11.148 12.518 11.454 1.00 0.93 H new ATOM 0 HB ILE B 38 13.295 13.912 9.807 1.00 0.96 H new ATOM 0 HG12 ILE B 38 10.902 12.125 9.083 1.00 1.12 H new ATOM 0 HG13 ILE B 38 10.917 13.871 8.935 1.00 1.12 H new ATOM 0 HG21 ILE B 38 14.005 11.718 8.987 1.00 1.38 H new ATOM 0 HG22 ILE B 38 14.309 11.910 10.730 1.00 1.38 H new ATOM 0 HG23 ILE B 38 12.936 10.926 10.169 1.00 1.38 H new ATOM 0 HD11 ILE B 38 11.311 12.804 6.756 1.00 1.35 H new ATOM 0 HD12 ILE B 38 12.745 13.727 7.264 1.00 1.35 H new ATOM 0 HD13 ILE B 38 12.730 11.954 7.414 1.00 1.35 H new ATOM 2128 N LYS B 39 13.508 14.071 13.090 1.00 1.11 N ATOM 2129 CA LYS B 39 14.393 13.992 14.245 1.00 1.35 C ATOM 2130 C LYS B 39 13.728 14.346 15.600 1.00 1.44 C ATOM 2131 O LYS B 39 14.350 14.139 16.646 1.00 1.66 O ATOM 2132 CB LYS B 39 15.555 14.913 13.863 1.00 1.60 C ATOM 2133 CG LYS B 39 16.754 14.906 14.797 1.00 1.42 C ATOM 2134 CD LYS B 39 17.547 13.585 14.872 1.00 1.63 C ATOM 2135 CE LYS B 39 16.916 12.493 15.757 1.00 2.29 C ATOM 2136 NZ LYS B 39 17.932 11.626 16.410 1.00 2.83 N ATOM 0 H LYS B 39 13.433 15.016 12.714 1.00 1.11 H new ATOM 0 HA LYS B 39 14.714 12.969 14.440 1.00 1.35 H new ATOM 0 HB2 LYS B 39 15.897 14.637 12.865 1.00 1.60 H new ATOM 0 HB3 LYS B 39 15.177 15.933 13.800 1.00 1.60 H new ATOM 0 HG2 LYS B 39 17.435 15.698 14.487 1.00 1.42 H new ATOM 0 HG3 LYS B 39 16.409 15.157 15.800 1.00 1.42 H new ATOM 0 HD2 LYS B 39 17.662 13.191 13.862 1.00 1.63 H new ATOM 0 HD3 LYS B 39 18.548 13.801 15.246 1.00 1.63 H new ATOM 0 HE2 LYS B 39 16.299 12.963 16.523 1.00 2.29 H new ATOM 0 HE3 LYS B 39 16.254 11.876 15.149 1.00 2.29 H new ATOM 0 HZ1 LYS B 39 17.681 10.627 16.265 1.00 2.83 H new ATOM 0 HZ2 LYS B 39 18.867 11.812 15.994 1.00 2.83 H new ATOM 0 HZ3 LYS B 39 17.960 11.831 17.429 1.00 2.83 H new ATOM 2150 N LYS B 40 12.497 14.871 15.622 1.00 1.37 N ATOM 2151 CA LYS B 40 11.666 14.980 16.827 1.00 1.52 C ATOM 2152 C LYS B 40 10.747 13.768 17.018 1.00 1.52 C ATOM 2153 O LYS B 40 10.800 13.115 18.063 1.00 1.92 O ATOM 2154 CB LYS B 40 10.836 16.277 16.763 1.00 1.55 C ATOM 2155 CG LYS B 40 11.493 17.432 17.507 1.00 1.67 C ATOM 2156 CD LYS B 40 12.788 17.936 16.871 1.00 2.38 C ATOM 2157 CE LYS B 40 13.275 19.085 17.749 1.00 2.47 C ATOM 2158 NZ LYS B 40 14.391 19.830 17.129 1.00 3.12 N ATOM 0 H LYS B 40 12.042 15.239 14.787 1.00 1.37 H new ATOM 0 HA LYS B 40 12.334 15.007 17.688 1.00 1.52 H new ATOM 0 HB2 LYS B 40 10.689 16.558 15.720 1.00 1.55 H new ATOM 0 HB3 LYS B 40 9.848 16.093 17.186 1.00 1.55 H new ATOM 0 HG2 LYS B 40 10.786 18.259 17.567 1.00 1.67 H new ATOM 0 HG3 LYS B 40 11.703 17.118 18.529 1.00 1.67 H new ATOM 0 HD2 LYS B 40 13.532 17.141 16.822 1.00 2.38 H new ATOM 0 HD3 LYS B 40 12.614 18.274 15.849 1.00 2.38 H new ATOM 0 HE2 LYS B 40 12.448 19.768 17.942 1.00 2.47 H new ATOM 0 HE3 LYS B 40 13.595 18.692 18.714 1.00 2.47 H new ATOM 0 HZ1 LYS B 40 14.285 20.845 17.331 1.00 3.12 H new ATOM 0 HZ2 LYS B 40 15.294 19.492 17.519 1.00 3.12 H new ATOM 0 HZ3 LYS B 40 14.380 19.679 16.100 1.00 3.12 H new ATOM 2172 N GLU B 41 9.901 13.480 16.034 1.00 1.21 N ATOM 2173 CA GLU B 41 8.817 12.501 16.170 1.00 1.27 C ATOM 2174 C GLU B 41 9.320 11.061 15.959 1.00 1.07 C ATOM 2175 O GLU B 41 8.736 10.108 16.481 1.00 1.25 O ATOM 2176 CB GLU B 41 7.685 12.846 15.196 1.00 1.65 C ATOM 2177 CG GLU B 41 7.182 14.294 15.305 1.00 2.51 C ATOM 2178 CD GLU B 41 6.432 14.588 16.601 1.00 4.45 C ATOM 2179 OE1 GLU B 41 5.192 14.425 16.637 1.00 5.09 O ATOM 2180 OE2 GLU B 41 7.040 15.150 17.539 1.00 5.86 O ATOM 0 H GLU B 41 9.944 13.919 15.114 1.00 1.21 H new ATOM 0 HA GLU B 41 8.432 12.551 17.189 1.00 1.27 H new ATOM 0 HB2 GLU B 41 8.030 12.668 14.177 1.00 1.65 H new ATOM 0 HB3 GLU B 41 6.850 12.168 15.372 1.00 1.65 H new ATOM 0 HG2 GLU B 41 8.032 14.971 15.226 1.00 2.51 H new ATOM 0 HG3 GLU B 41 6.526 14.506 14.460 1.00 2.51 H new ATOM 2187 N LEU B 42 10.459 10.901 15.273 1.00 1.02 N ATOM 2188 CA LEU B 42 11.390 9.790 15.464 1.00 1.06 C ATOM 2189 C LEU B 42 12.724 10.351 15.986 1.00 1.23 C ATOM 2190 O LEU B 42 12.988 11.548 15.893 1.00 1.41 O ATOM 2191 CB LEU B 42 11.534 8.976 14.158 1.00 1.14 C ATOM 2192 CG LEU B 42 10.849 7.594 14.247 1.00 1.24 C ATOM 2193 CD1 LEU B 42 10.645 7.009 12.845 1.00 1.58 C ATOM 2194 CD2 LEU B 42 11.704 6.636 15.096 1.00 1.99 C ATOM 0 H LEU B 42 10.762 11.558 14.554 1.00 1.02 H new ATOM 0 HA LEU B 42 11.011 9.090 16.209 1.00 1.06 H new ATOM 0 HB2 LEU B 42 11.102 9.540 13.332 1.00 1.14 H new ATOM 0 HB3 LEU B 42 12.592 8.840 13.932 1.00 1.14 H new ATOM 0 HG LEU B 42 9.875 7.717 14.720 1.00 1.24 H new ATOM 0 HD11 LEU B 42 10.161 6.035 12.924 1.00 1.58 H new ATOM 0 HD12 LEU B 42 10.017 7.680 12.259 1.00 1.58 H new ATOM 0 HD13 LEU B 42 11.611 6.895 12.354 1.00 1.58 H new ATOM 0 HD21 LEU B 42 11.213 5.664 15.153 1.00 1.99 H new ATOM 0 HD22 LEU B 42 12.686 6.520 14.637 1.00 1.99 H new ATOM 0 HD23 LEU B 42 11.819 7.044 16.100 1.00 1.99 H new ATOM 2206 N CYS B 43 13.555 9.487 16.578 1.00 1.60 N ATOM 2207 CA CYS B 43 14.823 9.905 17.204 1.00 1.84 C ATOM 2208 C CYS B 43 15.825 8.781 17.464 1.00 1.68 C ATOM 2209 O CYS B 43 17.018 8.946 17.193 1.00 2.96 O ATOM 2210 CB CYS B 43 14.511 10.729 18.471 1.00 2.54 C ATOM 2211 SG CYS B 43 16.015 11.539 19.087 1.00 4.02 S ATOM 0 H CYS B 43 13.374 8.485 16.639 1.00 1.60 H new ATOM 0 HA CYS B 43 15.344 10.528 16.477 1.00 1.84 H new ATOM 0 HB2 CYS B 43 13.752 11.479 18.247 1.00 2.54 H new ATOM 0 HB3 CYS B 43 14.098 10.079 19.243 1.00 2.54 H new ATOM 0 HG CYS B 43 15.731 12.229 20.152 1.00 4.02 H new ATOM 2217 N LEU B 44 15.288 7.660 17.935 1.00 1.96 N ATOM 2218 CA LEU B 44 15.937 6.377 18.143 1.00 2.96 C ATOM 2219 C LEU B 44 16.985 6.484 19.256 1.00 4.08 C ATOM 2220 O LEU B 44 16.652 6.292 20.422 1.00 5.85 O ATOM 2221 CB LEU B 44 16.395 5.782 16.791 1.00 3.12 C ATOM 2222 CG LEU B 44 16.523 4.244 16.774 1.00 4.05 C ATOM 2223 CD1 LEU B 44 16.681 3.743 15.330 1.00 4.55 C ATOM 2224 CD2 LEU B 44 17.690 3.727 17.623 1.00 5.39 C ATOM 0 H LEU B 44 14.304 7.627 18.203 1.00 1.96 H new ATOM 0 HA LEU B 44 15.238 5.632 18.524 1.00 2.96 H new ATOM 0 HB2 LEU B 44 15.687 6.083 16.019 1.00 3.12 H new ATOM 0 HB3 LEU B 44 17.359 6.216 16.526 1.00 3.12 H new ATOM 0 HG LEU B 44 15.606 3.853 17.214 1.00 4.05 H new ATOM 0 HD11 LEU B 44 16.771 2.657 15.330 1.00 4.55 H new ATOM 0 HD12 LEU B 44 15.808 4.035 14.746 1.00 4.55 H new ATOM 0 HD13 LEU B 44 17.576 4.181 14.889 1.00 4.55 H new ATOM 0 HD21 LEU B 44 17.725 2.639 17.569 1.00 5.39 H new ATOM 0 HD22 LEU B 44 18.626 4.140 17.245 1.00 5.39 H new ATOM 0 HD23 LEU B 44 17.550 4.034 18.659 1.00 5.39 H new ATOM 2236 N GLY B 45 18.206 6.867 18.897 1.00 3.47 N ATOM 2237 CA GLY B 45 19.214 7.408 19.810 1.00 4.16 C ATOM 2238 C GLY B 45 19.863 8.640 19.195 1.00 2.79 C ATOM 2239 O GLY B 45 19.966 9.684 19.830 1.00 3.69 O ATOM 0 H GLY B 45 18.534 6.809 17.933 1.00 3.47 H new ATOM 0 HA2 GLY B 45 18.752 7.667 20.763 1.00 4.16 H new ATOM 0 HA3 GLY B 45 19.972 6.653 20.018 1.00 4.16 H new ATOM 2242 N GLU B 46 20.269 8.513 17.933 1.00 2.03 N ATOM 2243 CA GLU B 46 21.035 9.504 17.184 1.00 3.22 C ATOM 2244 C GLU B 46 20.439 9.830 15.803 1.00 4.64 C ATOM 2245 O GLU B 46 20.441 10.999 15.416 1.00 6.52 O ATOM 2246 CB GLU B 46 22.492 9.013 17.095 1.00 4.28 C ATOM 2247 CG GLU B 46 22.781 7.848 16.136 1.00 5.56 C ATOM 2248 CD GLU B 46 22.040 6.535 16.404 1.00 5.57 C ATOM 2249 OE1 GLU B 46 20.808 6.473 16.175 1.00 5.47 O ATOM 2250 OE2 GLU B 46 22.722 5.544 16.745 1.00 6.47 O ATOM 0 H GLU B 46 20.063 7.680 17.382 1.00 2.03 H new ATOM 0 HA GLU B 46 20.994 10.453 17.718 1.00 3.22 H new ATOM 0 HB2 GLU B 46 23.116 9.857 16.800 1.00 4.28 H new ATOM 0 HB3 GLU B 46 22.810 8.715 18.094 1.00 4.28 H new ATOM 0 HG2 GLU B 46 22.541 8.173 15.124 1.00 5.56 H new ATOM 0 HG3 GLU B 46 23.852 7.645 16.160 1.00 5.56 H new ATOM 2257 N MET B 47 19.825 8.853 15.114 1.00 4.15 N ATOM 2258 CA MET B 47 19.582 8.770 13.673 1.00 5.43 C ATOM 2259 C MET B 47 20.880 8.618 12.861 1.00 4.91 C ATOM 2260 O MET B 47 21.820 9.389 13.015 1.00 5.83 O ATOM 2261 CB MET B 47 18.662 9.898 13.200 1.00 6.93 C ATOM 2262 CG MET B 47 17.282 9.352 12.842 1.00 7.54 C ATOM 2263 SD MET B 47 16.387 8.429 14.118 1.00 6.54 S ATOM 2264 CE MET B 47 16.613 6.736 13.519 1.00 4.58 C ATOM 0 H MET B 47 19.457 8.034 15.597 1.00 4.15 H new ATOM 0 HA MET B 47 19.039 7.846 13.477 1.00 5.43 H new ATOM 0 HB2 MET B 47 18.569 10.651 13.983 1.00 6.93 H new ATOM 0 HB3 MET B 47 19.100 10.392 12.333 1.00 6.93 H new ATOM 0 HG2 MET B 47 16.658 10.191 12.535 1.00 7.54 H new ATOM 0 HG3 MET B 47 17.393 8.703 11.973 1.00 7.54 H new ATOM 0 HE1 MET B 47 15.727 6.146 13.754 1.00 4.58 H new ATOM 0 HE2 MET B 47 16.765 6.749 12.440 1.00 4.58 H new ATOM 0 HE3 MET B 47 17.483 6.292 14.002 1.00 4.58 H new ATOM 2274 N LYS B 48 20.935 7.608 11.981 1.00 3.82 N ATOM 2275 CA LYS B 48 22.199 7.103 11.426 1.00 3.12 C ATOM 2276 C LYS B 48 23.028 8.092 10.581 1.00 3.42 C ATOM 2277 O LYS B 48 22.725 8.356 9.416 1.00 4.39 O ATOM 2278 CB LYS B 48 21.967 5.799 10.653 1.00 3.06 C ATOM 2279 CG LYS B 48 21.720 4.512 11.443 1.00 2.80 C ATOM 2280 CD LYS B 48 22.888 4.082 12.342 1.00 3.51 C ATOM 2281 CE LYS B 48 22.712 4.729 13.707 1.00 4.46 C ATOM 2282 NZ LYS B 48 23.982 4.818 14.456 1.00 6.21 N ATOM 0 H LYS B 48 20.109 7.120 11.635 1.00 3.82 H new ATOM 0 HA LYS B 48 22.817 6.928 12.306 1.00 3.12 H new ATOM 0 HB2 LYS B 48 21.112 5.952 9.995 1.00 3.06 H new ATOM 0 HB3 LYS B 48 22.835 5.634 10.015 1.00 3.06 H new ATOM 0 HG2 LYS B 48 20.832 4.645 12.061 1.00 2.80 H new ATOM 0 HG3 LYS B 48 21.502 3.706 10.742 1.00 2.80 H new ATOM 0 HD2 LYS B 48 22.912 2.996 12.438 1.00 3.51 H new ATOM 0 HD3 LYS B 48 23.837 4.384 11.900 1.00 3.51 H new ATOM 0 HE2 LYS B 48 22.297 5.729 13.581 1.00 4.46 H new ATOM 0 HE3 LYS B 48 21.990 4.155 14.288 1.00 4.46 H new ATOM 0 HZ1 LYS B 48 23.782 5.023 15.456 1.00 6.21 H new ATOM 0 HZ2 LYS B 48 24.492 3.915 14.383 1.00 6.21 H new ATOM 0 HZ3 LYS B 48 24.568 5.579 14.057 1.00 6.21 H new ATOM 2296 N GLU B 49 24.154 8.462 11.178 1.00 3.04 N ATOM 2297 CA GLU B 49 25.328 9.223 10.734 1.00 3.29 C ATOM 2298 C GLU B 49 25.382 9.509 9.213 1.00 3.04 C ATOM 2299 O GLU B 49 24.672 10.370 8.702 1.00 3.75 O ATOM 2300 CB GLU B 49 26.615 8.518 11.249 1.00 3.98 C ATOM 2301 CG GLU B 49 26.708 8.231 12.759 1.00 4.32 C ATOM 2302 CD GLU B 49 25.790 7.088 13.195 1.00 4.76 C ATOM 2303 OE1 GLU B 49 26.099 5.903 12.972 1.00 5.68 O ATOM 2304 OE2 GLU B 49 24.673 7.376 13.661 1.00 5.15 O ATOM 0 H GLU B 49 24.289 8.189 12.151 1.00 3.04 H new ATOM 0 HA GLU B 49 25.249 10.217 11.174 1.00 3.29 H new ATOM 0 HB2 GLU B 49 26.716 7.571 10.719 1.00 3.98 H new ATOM 0 HB3 GLU B 49 27.471 9.132 10.969 1.00 3.98 H new ATOM 0 HG2 GLU B 49 27.738 7.984 13.016 1.00 4.32 H new ATOM 0 HG3 GLU B 49 26.449 9.133 13.314 1.00 4.32 H new ATOM 2311 N SER B 50 26.233 8.793 8.474 1.00 2.96 N ATOM 2312 CA SER B 50 26.544 8.992 7.051 1.00 3.05 C ATOM 2313 C SER B 50 25.422 8.517 6.103 1.00 2.73 C ATOM 2314 O SER B 50 25.667 7.885 5.079 1.00 4.02 O ATOM 2315 CB SER B 50 27.870 8.268 6.735 1.00 3.52 C ATOM 2316 OG SER B 50 28.840 8.430 7.764 1.00 3.33 O ATOM 0 H SER B 50 26.755 8.013 8.873 1.00 2.96 H new ATOM 0 HA SER B 50 26.637 10.064 6.876 1.00 3.05 H new ATOM 0 HB2 SER B 50 27.674 7.206 6.589 1.00 3.52 H new ATOM 0 HB3 SER B 50 28.273 8.649 5.797 1.00 3.52 H new ATOM 0 HG SER B 50 29.660 7.953 7.519 1.00 3.33 H new ATOM 2322 N SER B 51 24.164 8.740 6.463 1.00 1.89 N ATOM 2323 CA SER B 51 22.997 8.354 5.657 1.00 1.87 C ATOM 2324 C SER B 51 21.794 9.240 5.953 1.00 1.75 C ATOM 2325 O SER B 51 21.194 9.757 5.015 1.00 2.17 O ATOM 2326 CB SER B 51 22.628 6.887 5.912 1.00 2.17 C ATOM 2327 OG SER B 51 23.730 6.034 5.666 1.00 2.13 O ATOM 0 H SER B 51 23.915 9.202 7.338 1.00 1.89 H new ATOM 0 HA SER B 51 23.269 8.483 4.610 1.00 1.87 H new ATOM 0 HB2 SER B 51 22.294 6.767 6.943 1.00 2.17 H new ATOM 0 HB3 SER B 51 21.794 6.602 5.271 1.00 2.17 H new ATOM 0 HG SER B 51 24.473 6.557 5.298 1.00 2.13 H new ATOM 2333 N ILE B 52 21.481 9.521 7.225 1.00 1.49 N ATOM 2334 CA ILE B 52 20.593 10.646 7.516 1.00 1.59 C ATOM 2335 C ILE B 52 21.236 11.933 7.044 1.00 1.42 C ATOM 2336 O ILE B 52 20.518 12.723 6.445 1.00 1.64 O ATOM 2337 CB ILE B 52 20.124 10.744 8.987 1.00 2.07 C ATOM 2338 CG1 ILE B 52 21.209 11.133 10.019 1.00 2.32 C ATOM 2339 CG2 ILE B 52 19.406 9.449 9.374 1.00 2.44 C ATOM 2340 CD1 ILE B 52 21.186 12.623 10.383 1.00 2.61 C ATOM 0 H ILE B 52 21.816 9.005 8.039 1.00 1.49 H new ATOM 0 HA ILE B 52 19.673 10.464 6.960 1.00 1.59 H new ATOM 0 HB ILE B 52 19.437 11.589 9.027 1.00 2.07 H new ATOM 0 HG12 ILE B 52 21.070 10.542 10.924 1.00 2.32 H new ATOM 0 HG13 ILE B 52 22.190 10.878 9.619 1.00 2.32 H new ATOM 0 HG21 ILE B 52 19.073 9.513 10.410 1.00 2.44 H new ATOM 0 HG22 ILE B 52 18.543 9.303 8.724 1.00 2.44 H new ATOM 0 HG23 ILE B 52 20.089 8.607 9.264 1.00 2.44 H new ATOM 0 HD11 ILE B 52 21.970 12.832 11.110 1.00 2.61 H new ATOM 0 HD12 ILE B 52 21.355 13.219 9.486 1.00 2.61 H new ATOM 0 HD13 ILE B 52 20.217 12.878 10.811 1.00 2.61 H new ATOM 2352 N ASP B 53 22.536 12.157 7.270 1.00 1.30 N ATOM 2353 CA ASP B 53 23.056 13.498 7.036 1.00 1.44 C ATOM 2354 C ASP B 53 23.043 13.898 5.564 1.00 1.33 C ATOM 2355 O ASP B 53 22.742 15.058 5.339 1.00 1.39 O ATOM 2356 CB ASP B 53 24.415 13.789 7.686 1.00 1.82 C ATOM 2357 CG ASP B 53 24.656 15.310 7.649 1.00 2.44 C ATOM 2358 OD1 ASP B 53 23.839 16.065 8.233 1.00 2.64 O ATOM 2359 OD2 ASP B 53 25.566 15.776 6.930 1.00 3.55 O ATOM 0 H ASP B 53 23.211 11.466 7.597 1.00 1.30 H new ATOM 0 HA ASP B 53 22.344 14.139 7.557 1.00 1.44 H new ATOM 0 HB2 ASP B 53 24.429 13.428 8.714 1.00 1.82 H new ATOM 0 HB3 ASP B 53 25.210 13.266 7.154 1.00 1.82 H new ATOM 2364 N ASP B 54 23.243 13.005 4.579 1.00 1.27 N ATOM 2365 CA ASP B 54 23.085 13.364 3.153 1.00 1.30 C ATOM 2366 C ASP B 54 21.625 13.656 2.796 1.00 1.13 C ATOM 2367 O ASP B 54 21.332 14.651 2.133 1.00 1.18 O ATOM 2368 CB ASP B 54 23.594 12.276 2.194 1.00 1.51 C ATOM 2369 CG ASP B 54 23.575 12.809 0.744 1.00 1.76 C ATOM 2370 OD1 ASP B 54 22.485 12.835 0.119 1.00 2.58 O ATOM 2371 OD2 ASP B 54 24.639 13.277 0.282 1.00 2.35 O ATOM 0 H ASP B 54 23.513 12.034 4.739 1.00 1.27 H new ATOM 0 HA ASP B 54 23.693 14.260 3.027 1.00 1.30 H new ATOM 0 HB2 ASP B 54 24.606 11.980 2.469 1.00 1.51 H new ATOM 0 HB3 ASP B 54 22.969 11.387 2.273 1.00 1.51 H new ATOM 2376 N LEU B 55 20.699 12.814 3.258 1.00 1.01 N ATOM 2377 CA LEU B 55 19.270 12.973 2.974 1.00 0.95 C ATOM 2378 C LEU B 55 18.751 14.268 3.601 1.00 0.94 C ATOM 2379 O LEU B 55 18.052 15.041 2.952 1.00 0.94 O ATOM 2380 CB LEU B 55 18.526 11.716 3.459 1.00 0.91 C ATOM 2381 CG LEU B 55 18.967 10.433 2.725 1.00 1.13 C ATOM 2382 CD1 LEU B 55 18.307 9.218 3.390 1.00 1.08 C ATOM 2383 CD2 LEU B 55 18.617 10.488 1.231 1.00 1.26 C ATOM 0 H LEU B 55 20.917 12.004 3.838 1.00 1.01 H new ATOM 0 HA LEU B 55 19.092 13.065 1.902 1.00 0.95 H new ATOM 0 HB2 LEU B 55 18.694 11.592 4.529 1.00 0.91 H new ATOM 0 HB3 LEU B 55 17.454 11.858 3.319 1.00 0.91 H new ATOM 0 HG LEU B 55 20.051 10.346 2.798 1.00 1.13 H new ATOM 0 HD11 LEU B 55 18.616 8.309 2.874 1.00 1.08 H new ATOM 0 HD12 LEU B 55 18.613 9.164 4.435 1.00 1.08 H new ATOM 0 HD13 LEU B 55 17.223 9.317 3.334 1.00 1.08 H new ATOM 0 HD21 LEU B 55 18.943 9.567 0.747 1.00 1.26 H new ATOM 0 HD22 LEU B 55 17.539 10.598 1.114 1.00 1.26 H new ATOM 0 HD23 LEU B 55 19.121 11.338 0.770 1.00 1.26 H new ATOM 2395 N MET B 56 19.197 14.570 4.821 1.00 1.01 N ATOM 2396 CA MET B 56 18.983 15.839 5.520 1.00 1.09 C ATOM 2397 C MET B 56 19.765 16.977 4.844 1.00 1.17 C ATOM 2398 O MET B 56 19.273 18.102 4.807 1.00 1.30 O ATOM 2399 CB MET B 56 19.394 15.680 6.992 1.00 1.16 C ATOM 2400 CG MET B 56 18.596 14.589 7.730 1.00 1.20 C ATOM 2401 SD MET B 56 16.951 15.024 8.337 1.00 1.51 S ATOM 2402 CE MET B 56 17.368 15.119 10.088 1.00 1.64 C ATOM 0 H MET B 56 19.741 13.908 5.374 1.00 1.01 H new ATOM 0 HA MET B 56 17.926 16.102 5.473 1.00 1.09 H new ATOM 0 HB2 MET B 56 20.456 15.441 7.042 1.00 1.16 H new ATOM 0 HB3 MET B 56 19.257 16.632 7.506 1.00 1.16 H new ATOM 0 HG2 MET B 56 18.492 13.736 7.059 1.00 1.20 H new ATOM 0 HG3 MET B 56 19.191 14.255 8.580 1.00 1.20 H new ATOM 0 HE1 MET B 56 16.623 15.722 10.607 1.00 1.64 H new ATOM 0 HE2 MET B 56 17.383 14.116 10.513 1.00 1.64 H new ATOM 0 HE3 MET B 56 18.350 15.577 10.204 1.00 1.64 H new ATOM 2412 N LYS B 57 20.939 16.712 4.247 1.00 1.18 N ATOM 2413 CA LYS B 57 21.735 17.694 3.484 1.00 1.25 C ATOM 2414 C LYS B 57 21.062 18.110 2.191 1.00 1.21 C ATOM 2415 O LYS B 57 21.151 19.221 1.691 1.00 1.29 O ATOM 2416 CB LYS B 57 23.144 17.156 3.104 1.00 1.53 C ATOM 2417 CG LYS B 57 24.196 18.243 2.890 1.00 1.87 C ATOM 2418 CD LYS B 57 24.288 19.169 4.101 1.00 2.14 C ATOM 2419 CE LYS B 57 24.663 18.493 5.445 1.00 2.86 C ATOM 2420 NZ LYS B 57 23.522 17.841 6.140 1.00 3.95 N ATOM 0 H LYS B 57 21.373 15.789 4.281 1.00 1.18 H new ATOM 0 HA LYS B 57 21.824 18.547 4.156 1.00 1.25 H new ATOM 0 HB2 LYS B 57 23.488 16.484 3.891 1.00 1.53 H new ATOM 0 HB3 LYS B 57 23.060 16.564 2.193 1.00 1.53 H new ATOM 0 HG2 LYS B 57 25.167 17.782 2.707 1.00 1.87 H new ATOM 0 HG3 LYS B 57 23.947 18.824 2.002 1.00 1.87 H new ATOM 0 HD2 LYS B 57 25.026 19.942 3.887 1.00 2.14 H new ATOM 0 HD3 LYS B 57 23.328 19.670 4.224 1.00 2.14 H new ATOM 0 HE2 LYS B 57 25.435 17.746 5.260 1.00 2.86 H new ATOM 0 HE3 LYS B 57 25.096 19.243 6.107 1.00 2.86 H new ATOM 0 HZ1 LYS B 57 23.773 17.670 7.135 1.00 3.95 H new ATOM 0 HZ2 LYS B 57 22.688 18.461 6.095 1.00 3.95 H new ATOM 0 HZ3 LYS B 57 23.306 16.935 5.677 1.00 3.95 H new ATOM 2434 N SER B 58 20.377 17.143 1.650 1.00 1.14 N ATOM 2435 CA SER B 58 19.442 17.193 0.538 1.00 1.09 C ATOM 2436 C SER B 58 18.113 17.873 0.906 1.00 0.99 C ATOM 2437 O SER B 58 17.379 18.261 -0.004 1.00 1.10 O ATOM 2438 CB SER B 58 19.316 15.799 -0.096 1.00 1.15 C ATOM 2439 OG SER B 58 20.571 15.479 -0.701 1.00 1.90 O ATOM 0 H SER B 58 20.463 16.192 2.010 1.00 1.14 H new ATOM 0 HA SER B 58 19.839 17.848 -0.238 1.00 1.09 H new ATOM 0 HB2 SER B 58 19.056 15.058 0.660 1.00 1.15 H new ATOM 0 HB3 SER B 58 18.519 15.788 -0.840 1.00 1.15 H new ATOM 0 HG SER B 58 21.183 15.131 -0.020 1.00 1.90 H new ATOM 2445 N LEU B 59 17.855 18.162 2.198 1.00 1.08 N ATOM 2446 CA LEU B 59 16.813 19.107 2.616 1.00 1.19 C ATOM 2447 C LEU B 59 17.422 20.500 2.806 1.00 1.27 C ATOM 2448 O LEU B 59 16.906 21.464 2.242 1.00 1.47 O ATOM 2449 CB LEU B 59 16.081 18.609 3.881 1.00 1.22 C ATOM 2450 CG LEU B 59 15.403 17.225 3.762 1.00 1.19 C ATOM 2451 CD1 LEU B 59 14.599 16.915 5.031 1.00 1.26 C ATOM 2452 CD2 LEU B 59 14.469 17.115 2.551 1.00 1.27 C ATOM 0 H LEU B 59 18.366 17.744 2.976 1.00 1.08 H new ATOM 0 HA LEU B 59 16.059 19.175 1.832 1.00 1.19 H new ATOM 0 HB2 LEU B 59 16.797 18.573 4.702 1.00 1.22 H new ATOM 0 HB3 LEU B 59 15.322 19.343 4.152 1.00 1.22 H new ATOM 0 HG LEU B 59 16.209 16.504 3.629 1.00 1.19 H new ATOM 0 HD11 LEU B 59 14.127 15.937 4.933 1.00 1.26 H new ATOM 0 HD12 LEU B 59 15.266 16.911 5.893 1.00 1.26 H new ATOM 0 HD13 LEU B 59 13.831 17.676 5.170 1.00 1.26 H new ATOM 0 HD21 LEU B 59 14.024 16.120 2.524 1.00 1.27 H new ATOM 0 HD22 LEU B 59 13.680 17.863 2.631 1.00 1.27 H new ATOM 0 HD23 LEU B 59 15.038 17.283 1.636 1.00 1.27 H new ATOM 2464 N ASP B 60 18.560 20.573 3.501 1.00 1.22 N ATOM 2465 CA ASP B 60 19.411 21.764 3.661 1.00 1.41 C ATOM 2466 C ASP B 60 19.763 22.448 2.323 1.00 1.30 C ATOM 2467 O ASP B 60 19.899 23.664 2.262 1.00 1.50 O ATOM 2468 CB ASP B 60 20.722 21.336 4.338 1.00 1.76 C ATOM 2469 CG ASP B 60 20.589 20.884 5.792 1.00 2.07 C ATOM 2470 OD1 ASP B 60 19.765 21.462 6.533 1.00 2.31 O ATOM 2471 OD2 ASP B 60 21.272 19.897 6.177 1.00 3.60 O ATOM 0 H ASP B 60 18.936 19.763 3.994 1.00 1.22 H new ATOM 0 HA ASP B 60 18.849 22.483 4.258 1.00 1.41 H new ATOM 0 HB2 ASP B 60 21.161 20.522 3.761 1.00 1.76 H new ATOM 0 HB3 ASP B 60 21.422 22.170 4.297 1.00 1.76 H new ATOM 2476 N LYS B 61 19.853 21.658 1.244 1.00 1.19 N ATOM 2477 CA LYS B 61 20.165 22.037 -0.145 1.00 1.26 C ATOM 2478 C LYS B 61 19.336 23.218 -0.686 1.00 1.29 C ATOM 2479 O LYS B 61 19.722 23.842 -1.671 1.00 1.60 O ATOM 2480 CB LYS B 61 19.911 20.783 -1.011 1.00 1.25 C ATOM 2481 CG LYS B 61 20.835 20.603 -2.226 1.00 1.86 C ATOM 2482 CD LYS B 61 22.253 20.079 -1.906 1.00 2.19 C ATOM 2483 CE LYS B 61 22.329 18.671 -1.277 1.00 3.16 C ATOM 2484 NZ LYS B 61 21.919 17.568 -2.186 1.00 4.15 N ATOM 0 H LYS B 61 19.697 20.653 1.325 1.00 1.19 H new ATOM 0 HA LYS B 61 21.199 22.379 -0.180 1.00 1.26 H new ATOM 0 HB2 LYS B 61 20.004 19.902 -0.375 1.00 1.25 H new ATOM 0 HB3 LYS B 61 18.880 20.813 -1.365 1.00 1.25 H new ATOM 0 HG2 LYS B 61 20.360 19.914 -2.924 1.00 1.86 H new ATOM 0 HG3 LYS B 61 20.927 21.561 -2.737 1.00 1.86 H new ATOM 0 HD2 LYS B 61 22.834 20.075 -2.828 1.00 2.19 H new ATOM 0 HD3 LYS B 61 22.735 20.784 -1.229 1.00 2.19 H new ATOM 0 HE2 LYS B 61 23.351 18.490 -0.944 1.00 3.16 H new ATOM 0 HE3 LYS B 61 21.696 18.648 -0.390 1.00 3.16 H new ATOM 0 HZ1 LYS B 61 21.421 16.836 -1.641 1.00 4.15 H new ATOM 0 HZ2 LYS B 61 21.286 17.942 -2.922 1.00 4.15 H new ATOM 0 HZ3 LYS B 61 22.762 17.154 -2.632 1.00 4.15 H new ATOM 2498 N ASN B 62 18.179 23.466 -0.071 1.00 1.23 N ATOM 2499 CA ASN B 62 17.330 24.637 -0.297 1.00 1.52 C ATOM 2500 C ASN B 62 16.715 25.151 1.026 1.00 1.67 C ATOM 2501 O ASN B 62 16.683 26.346 1.280 1.00 2.60 O ATOM 2502 CB ASN B 62 16.201 24.271 -1.276 1.00 1.73 C ATOM 2503 CG ASN B 62 16.670 23.608 -2.567 1.00 1.73 C ATOM 2504 OD1 ASN B 62 16.623 22.390 -2.710 1.00 2.00 O ATOM 2505 ND2 ASN B 62 17.104 24.381 -3.536 1.00 2.30 N ATOM 0 H ASN B 62 17.792 22.831 0.627 1.00 1.23 H new ATOM 0 HA ASN B 62 17.950 25.430 -0.716 1.00 1.52 H new ATOM 0 HB2 ASN B 62 15.504 23.602 -0.772 1.00 1.73 H new ATOM 0 HB3 ASN B 62 15.649 25.176 -1.528 1.00 1.73 H new ATOM 0 HD21 ASN B 62 17.407 23.970 -4.419 1.00 2.30 H new ATOM 0 HD22 ASN B 62 17.138 25.392 -3.405 1.00 2.30 H new ATOM 2512 N SER B 63 16.202 24.241 1.853 1.00 1.17 N ATOM 2513 CA SER B 63 15.796 24.372 3.265 1.00 1.20 C ATOM 2514 C SER B 63 14.476 25.081 3.532 1.00 1.19 C ATOM 2515 O SER B 63 13.786 24.635 4.432 1.00 1.38 O ATOM 2516 CB SER B 63 16.892 24.953 4.181 1.00 1.52 C ATOM 2517 OG SER B 63 17.154 26.324 3.951 1.00 1.90 O ATOM 0 H SER B 63 16.041 23.290 1.521 1.00 1.17 H new ATOM 0 HA SER B 63 15.631 23.326 3.525 1.00 1.20 H new ATOM 0 HB2 SER B 63 16.594 24.818 5.221 1.00 1.52 H new ATOM 0 HB3 SER B 63 17.812 24.387 4.037 1.00 1.52 H new ATOM 0 HG SER B 63 16.969 26.540 3.013 1.00 1.90 H new ATOM 2523 N ASP B 64 14.028 26.052 2.737 1.00 1.11 N ATOM 2524 CA ASP B 64 12.795 26.788 3.032 1.00 1.22 C ATOM 2525 C ASP B 64 12.020 26.879 1.726 1.00 1.28 C ATOM 2526 O ASP B 64 11.968 27.868 1.001 1.00 2.20 O ATOM 2527 CB ASP B 64 13.053 28.115 3.759 1.00 1.87 C ATOM 2528 CG ASP B 64 11.832 28.444 4.626 1.00 3.03 C ATOM 2529 OD1 ASP B 64 11.756 27.891 5.749 1.00 4.18 O ATOM 2530 OD2 ASP B 64 10.944 29.174 4.137 1.00 3.88 O ATOM 0 H ASP B 64 14.499 26.349 1.883 1.00 1.11 H new ATOM 0 HA ASP B 64 12.175 26.264 3.759 1.00 1.22 H new ATOM 0 HB2 ASP B 64 13.947 28.040 4.378 1.00 1.87 H new ATOM 0 HB3 ASP B 64 13.231 28.913 3.038 1.00 1.87 H new ATOM 2535 N GLN B 65 11.587 25.685 1.347 1.00 1.06 N ATOM 2536 CA GLN B 65 10.726 25.389 0.221 1.00 1.03 C ATOM 2537 C GLN B 65 9.543 24.567 0.762 1.00 0.92 C ATOM 2538 O GLN B 65 9.498 24.322 1.964 1.00 1.35 O ATOM 2539 CB GLN B 65 11.562 24.568 -0.770 1.00 1.17 C ATOM 2540 CG GLN B 65 12.867 25.215 -1.241 1.00 1.87 C ATOM 2541 CD GLN B 65 12.638 26.356 -2.224 1.00 2.98 C ATOM 2542 OE1 GLN B 65 12.656 26.147 -3.420 1.00 3.33 O ATOM 2543 NE2 GLN B 65 12.441 27.581 -1.789 1.00 4.62 N ATOM 0 H GLN B 65 11.849 24.841 1.857 1.00 1.06 H new ATOM 0 HA GLN B 65 10.344 26.280 -0.277 1.00 1.03 H new ATOM 0 HB2 GLN B 65 11.800 23.610 -0.308 1.00 1.17 H new ATOM 0 HB3 GLN B 65 10.948 24.356 -1.645 1.00 1.17 H new ATOM 0 HG2 GLN B 65 13.414 25.591 -0.376 1.00 1.87 H new ATOM 0 HG3 GLN B 65 13.494 24.457 -1.710 1.00 1.87 H new ATOM 0 HE21 GLN B 65 12.424 27.770 -0.787 1.00 4.62 H new ATOM 0 HE22 GLN B 65 12.305 28.343 -2.454 1.00 4.62 H new ATOM 2552 N GLU B 66 8.649 24.065 -0.086 1.00 0.78 N ATOM 2553 CA GLU B 66 7.698 23.020 0.316 1.00 0.71 C ATOM 2554 C GLU B 66 8.294 21.612 0.088 1.00 0.92 C ATOM 2555 O GLU B 66 9.458 21.469 -0.311 1.00 1.68 O ATOM 2556 CB GLU B 66 6.342 23.199 -0.392 1.00 0.85 C ATOM 2557 CG GLU B 66 5.735 24.592 -0.178 1.00 1.06 C ATOM 2558 CD GLU B 66 4.350 24.691 -0.814 1.00 1.48 C ATOM 2559 OE1 GLU B 66 3.411 24.112 -0.216 1.00 2.27 O ATOM 2560 OE2 GLU B 66 4.255 25.333 -1.883 1.00 2.63 O ATOM 0 H GLU B 66 8.559 24.362 -1.058 1.00 0.78 H new ATOM 0 HA GLU B 66 7.513 23.121 1.385 1.00 0.71 H new ATOM 0 HB2 GLU B 66 6.470 23.024 -1.460 1.00 0.85 H new ATOM 0 HB3 GLU B 66 5.645 22.445 -0.027 1.00 0.85 H new ATOM 0 HG2 GLU B 66 5.664 24.801 0.889 1.00 1.06 H new ATOM 0 HG3 GLU B 66 6.391 25.348 -0.608 1.00 1.06 H new ATOM 2567 N ILE B 67 7.482 20.590 0.372 1.00 0.68 N ATOM 2568 CA ILE B 67 7.710 19.144 0.227 1.00 0.78 C ATOM 2569 C ILE B 67 6.355 18.431 0.385 1.00 0.81 C ATOM 2570 O ILE B 67 5.518 18.918 1.152 1.00 0.81 O ATOM 2571 CB ILE B 67 8.787 18.672 1.243 1.00 0.93 C ATOM 2572 CG1 ILE B 67 10.039 18.241 0.453 1.00 1.70 C ATOM 2573 CG2 ILE B 67 8.325 17.583 2.229 1.00 1.91 C ATOM 2574 CD1 ILE B 67 11.141 17.563 1.272 1.00 1.83 C ATOM 0 H ILE B 67 6.551 20.771 0.748 1.00 0.68 H new ATOM 0 HA ILE B 67 8.104 18.895 -0.758 1.00 0.78 H new ATOM 0 HB ILE B 67 9.011 19.517 1.894 1.00 0.93 H new ATOM 0 HG12 ILE B 67 9.729 17.559 -0.339 1.00 1.70 H new ATOM 0 HG13 ILE B 67 10.461 19.122 -0.031 1.00 1.70 H new ATOM 0 HG21 ILE B 67 9.148 17.322 2.895 1.00 1.91 H new ATOM 0 HG22 ILE B 67 7.487 17.956 2.817 1.00 1.91 H new ATOM 0 HG23 ILE B 67 8.013 16.698 1.674 1.00 1.91 H new ATOM 0 HD11 ILE B 67 11.973 17.302 0.617 1.00 1.83 H new ATOM 0 HD12 ILE B 67 11.490 18.245 2.048 1.00 1.83 H new ATOM 0 HD13 ILE B 67 10.746 16.659 1.735 1.00 1.83 H new ATOM 2586 N ASP B 68 6.139 17.303 -0.295 1.00 0.94 N ATOM 2587 CA ASP B 68 4.907 16.495 -0.223 1.00 1.00 C ATOM 2588 C ASP B 68 5.007 15.298 0.753 1.00 0.88 C ATOM 2589 O ASP B 68 6.081 14.768 1.050 1.00 1.10 O ATOM 2590 CB ASP B 68 4.532 16.010 -1.637 1.00 1.33 C ATOM 2591 CG ASP B 68 3.310 15.077 -1.645 1.00 1.17 C ATOM 2592 OD1 ASP B 68 2.229 15.520 -1.202 1.00 2.63 O ATOM 2593 OD2 ASP B 68 3.491 13.885 -1.988 1.00 1.82 O ATOM 0 H ASP B 68 6.833 16.910 -0.931 1.00 0.94 H new ATOM 0 HA ASP B 68 4.124 17.139 0.177 1.00 1.00 H new ATOM 0 HB2 ASP B 68 4.327 16.874 -2.270 1.00 1.33 H new ATOM 0 HB3 ASP B 68 5.384 15.489 -2.075 1.00 1.33 H new ATOM 2598 N PHE B 69 3.848 14.792 1.193 1.00 0.75 N ATOM 2599 CA PHE B 69 3.713 13.625 2.064 1.00 0.76 C ATOM 2600 C PHE B 69 4.410 12.360 1.510 1.00 0.71 C ATOM 2601 O PHE B 69 4.845 11.489 2.266 1.00 0.77 O ATOM 2602 CB PHE B 69 2.215 13.384 2.293 1.00 0.93 C ATOM 2603 CG PHE B 69 1.875 12.681 3.594 1.00 1.51 C ATOM 2604 CD1 PHE B 69 2.034 11.290 3.734 1.00 2.62 C ATOM 2605 CD2 PHE B 69 1.343 13.428 4.661 1.00 2.63 C ATOM 2606 CE1 PHE B 69 1.619 10.636 4.905 1.00 3.56 C ATOM 2607 CE2 PHE B 69 0.920 12.777 5.829 1.00 3.45 C ATOM 2608 CZ PHE B 69 1.040 11.381 5.941 1.00 3.62 C ATOM 0 H PHE B 69 2.948 15.201 0.941 1.00 0.75 H new ATOM 0 HA PHE B 69 4.221 13.832 3.006 1.00 0.76 H new ATOM 0 HB2 PHE B 69 1.699 14.344 2.270 1.00 0.93 H new ATOM 0 HB3 PHE B 69 1.826 12.793 1.464 1.00 0.93 H new ATOM 0 HD1 PHE B 69 2.480 10.720 2.933 1.00 2.62 H new ATOM 0 HD2 PHE B 69 1.260 14.502 4.581 1.00 2.63 H new ATOM 0 HE1 PHE B 69 1.745 9.568 5.006 1.00 3.56 H new ATOM 0 HE2 PHE B 69 0.501 13.349 6.644 1.00 3.45 H new ATOM 0 HZ PHE B 69 0.684 10.880 6.829 1.00 3.62 H new ATOM 2618 N LYS B 70 4.560 12.239 0.185 1.00 0.72 N ATOM 2619 CA LYS B 70 5.361 11.199 -0.460 1.00 0.77 C ATOM 2620 C LYS B 70 6.845 11.337 -0.119 1.00 0.71 C ATOM 2621 O LYS B 70 7.487 10.352 0.250 1.00 0.74 O ATOM 2622 CB LYS B 70 5.158 11.354 -1.962 1.00 0.85 C ATOM 2623 CG LYS B 70 5.779 10.238 -2.792 1.00 1.60 C ATOM 2624 CD LYS B 70 5.542 10.575 -4.266 1.00 2.14 C ATOM 2625 CE LYS B 70 6.210 9.486 -5.093 1.00 3.57 C ATOM 2626 NZ LYS B 70 6.106 9.772 -6.542 1.00 4.47 N ATOM 0 H LYS B 70 4.118 12.875 -0.479 1.00 0.72 H new ATOM 0 HA LYS B 70 5.046 10.216 -0.110 1.00 0.77 H new ATOM 0 HB2 LYS B 70 4.089 11.396 -2.171 1.00 0.85 H new ATOM 0 HB3 LYS B 70 5.582 12.307 -2.279 1.00 0.85 H new ATOM 0 HG2 LYS B 70 6.846 10.154 -2.585 1.00 1.60 H new ATOM 0 HG3 LYS B 70 5.329 9.278 -2.541 1.00 1.60 H new ATOM 0 HD2 LYS B 70 4.475 10.622 -4.483 1.00 2.14 H new ATOM 0 HD3 LYS B 70 5.960 11.552 -4.509 1.00 2.14 H new ATOM 0 HE2 LYS B 70 7.260 9.404 -4.811 1.00 3.57 H new ATOM 0 HE3 LYS B 70 5.745 8.524 -4.876 1.00 3.57 H new ATOM 0 HZ1 LYS B 70 6.570 9.013 -7.080 1.00 4.47 H new ATOM 0 HZ2 LYS B 70 5.104 9.826 -6.814 1.00 4.47 H new ATOM 0 HZ3 LYS B 70 6.571 10.678 -6.751 1.00 4.47 H new ATOM 2640 N GLU B 71 7.356 12.561 -0.217 1.00 0.68 N ATOM 2641 CA GLU B 71 8.738 12.920 0.082 1.00 0.60 C ATOM 2642 C GLU B 71 9.019 12.735 1.587 1.00 0.67 C ATOM 2643 O GLU B 71 10.137 12.420 1.980 1.00 0.93 O ATOM 2644 CB GLU B 71 9.021 14.340 -0.445 1.00 0.64 C ATOM 2645 CG GLU B 71 8.547 14.498 -1.904 1.00 1.03 C ATOM 2646 CD GLU B 71 8.943 15.837 -2.515 1.00 2.06 C ATOM 2647 OE1 GLU B 71 8.277 16.838 -2.168 1.00 3.45 O ATOM 2648 OE2 GLU B 71 9.883 15.832 -3.336 1.00 2.48 O ATOM 0 H GLU B 71 6.798 13.360 -0.518 1.00 0.68 H new ATOM 0 HA GLU B 71 9.433 12.256 -0.431 1.00 0.60 H new ATOM 0 HB2 GLU B 71 8.516 15.072 0.185 1.00 0.64 H new ATOM 0 HB3 GLU B 71 10.089 14.548 -0.382 1.00 0.64 H new ATOM 0 HG2 GLU B 71 8.966 13.692 -2.506 1.00 1.03 H new ATOM 0 HG3 GLU B 71 7.463 14.394 -1.942 1.00 1.03 H new ATOM 2655 N TYR B 72 7.973 12.793 2.419 1.00 0.60 N ATOM 2656 CA TYR B 72 8.017 12.408 3.839 1.00 0.61 C ATOM 2657 C TYR B 72 8.052 10.883 4.057 1.00 0.65 C ATOM 2658 O TYR B 72 8.891 10.373 4.803 1.00 0.68 O ATOM 2659 CB TYR B 72 6.819 13.072 4.542 1.00 0.66 C ATOM 2660 CG TYR B 72 6.365 12.540 5.898 1.00 0.70 C ATOM 2661 CD1 TYR B 72 7.231 12.518 7.008 1.00 1.85 C ATOM 2662 CD2 TYR B 72 5.013 12.183 6.074 1.00 1.43 C ATOM 2663 CE1 TYR B 72 6.739 12.215 8.293 1.00 1.91 C ATOM 2664 CE2 TYR B 72 4.512 11.887 7.356 1.00 1.47 C ATOM 2665 CZ TYR B 72 5.371 11.925 8.475 1.00 0.90 C ATOM 2666 OH TYR B 72 4.866 11.738 9.726 1.00 1.05 O ATOM 0 H TYR B 72 7.052 13.115 2.120 1.00 0.60 H new ATOM 0 HA TYR B 72 8.951 12.761 4.275 1.00 0.61 H new ATOM 0 HB2 TYR B 72 7.056 14.129 4.666 1.00 0.66 H new ATOM 0 HB3 TYR B 72 5.967 13.014 3.864 1.00 0.66 H new ATOM 0 HD1 TYR B 72 8.280 12.735 6.873 1.00 1.85 H new ATOM 0 HD2 TYR B 72 4.356 12.136 5.218 1.00 1.43 H new ATOM 0 HE1 TYR B 72 7.410 12.205 9.139 1.00 1.91 H new ATOM 0 HE2 TYR B 72 3.471 11.631 7.483 1.00 1.47 H new ATOM 0 HH TYR B 72 3.887 11.755 9.689 1.00 1.05 H new ATOM 2676 N SER B 73 7.157 10.126 3.422 1.00 0.70 N ATOM 2677 CA SER B 73 7.063 8.670 3.597 1.00 0.81 C ATOM 2678 C SER B 73 8.224 7.891 2.961 1.00 0.74 C ATOM 2679 O SER B 73 8.690 6.940 3.593 1.00 0.76 O ATOM 2680 CB SER B 73 5.714 8.153 3.086 1.00 0.97 C ATOM 2681 OG SER B 73 5.427 8.644 1.793 1.00 1.37 O ATOM 0 H SER B 73 6.472 10.504 2.768 1.00 0.70 H new ATOM 0 HA SER B 73 7.138 8.489 4.669 1.00 0.81 H new ATOM 0 HB2 SER B 73 5.724 7.063 3.068 1.00 0.97 H new ATOM 0 HB3 SER B 73 4.924 8.454 3.774 1.00 0.97 H new ATOM 0 HG SER B 73 5.078 9.557 1.860 1.00 1.37 H new ATOM 2687 N VAL B 74 8.757 8.314 1.801 1.00 0.70 N ATOM 2688 CA VAL B 74 9.999 7.740 1.240 1.00 0.69 C ATOM 2689 C VAL B 74 11.196 7.941 2.162 1.00 0.69 C ATOM 2690 O VAL B 74 12.022 7.048 2.246 1.00 0.69 O ATOM 2691 CB VAL B 74 10.422 8.281 -0.150 1.00 0.79 C ATOM 2692 CG1 VAL B 74 9.409 7.919 -1.237 1.00 0.82 C ATOM 2693 CG2 VAL B 74 10.752 9.779 -0.184 1.00 0.90 C ATOM 0 H VAL B 74 8.347 9.054 1.230 1.00 0.70 H new ATOM 0 HA VAL B 74 9.735 6.688 1.134 1.00 0.69 H new ATOM 0 HB VAL B 74 11.362 7.771 -0.363 1.00 0.79 H new ATOM 0 HG11 VAL B 74 9.745 8.318 -2.194 1.00 0.82 H new ATOM 0 HG12 VAL B 74 9.321 6.835 -1.306 1.00 0.82 H new ATOM 0 HG13 VAL B 74 8.438 8.346 -0.986 1.00 0.82 H new ATOM 0 HG21 VAL B 74 11.037 10.066 -1.196 1.00 0.90 H new ATOM 0 HG22 VAL B 74 9.877 10.351 0.123 1.00 0.90 H new ATOM 0 HG23 VAL B 74 11.577 9.985 0.498 1.00 0.90 H new ATOM 2703 N PHE B 75 11.312 9.081 2.849 1.00 0.70 N ATOM 2704 CA PHE B 75 12.477 9.408 3.674 1.00 0.66 C ATOM 2705 C PHE B 75 12.498 8.533 4.931 1.00 0.71 C ATOM 2706 O PHE B 75 13.513 7.902 5.235 1.00 0.71 O ATOM 2707 CB PHE B 75 12.391 10.909 3.988 1.00 0.62 C ATOM 2708 CG PHE B 75 13.675 11.621 4.357 1.00 0.54 C ATOM 2709 CD1 PHE B 75 14.360 11.312 5.547 1.00 1.65 C ATOM 2710 CD2 PHE B 75 14.132 12.671 3.543 1.00 1.75 C ATOM 2711 CE1 PHE B 75 15.459 12.090 5.949 1.00 1.52 C ATOM 2712 CE2 PHE B 75 15.241 13.435 3.936 1.00 1.95 C ATOM 2713 CZ PHE B 75 15.890 13.165 5.152 1.00 0.81 C ATOM 0 H PHE B 75 10.595 9.807 2.848 1.00 0.70 H new ATOM 0 HA PHE B 75 13.415 9.203 3.157 1.00 0.66 H new ATOM 0 HB2 PHE B 75 11.966 11.411 3.118 1.00 0.62 H new ATOM 0 HB3 PHE B 75 11.686 11.041 4.808 1.00 0.62 H new ATOM 0 HD1 PHE B 75 14.041 10.476 6.152 1.00 1.65 H new ATOM 0 HD2 PHE B 75 13.629 12.890 2.613 1.00 1.75 H new ATOM 0 HE1 PHE B 75 15.973 11.862 6.871 1.00 1.52 H new ATOM 0 HE2 PHE B 75 15.597 14.233 3.302 1.00 1.95 H new ATOM 0 HZ PHE B 75 16.717 13.781 5.474 1.00 0.81 H new ATOM 2723 N LEU B 76 11.353 8.423 5.622 1.00 0.78 N ATOM 2724 CA LEU B 76 11.197 7.514 6.762 1.00 0.83 C ATOM 2725 C LEU B 76 11.439 6.049 6.365 1.00 0.79 C ATOM 2726 O LEU B 76 12.210 5.358 7.032 1.00 0.83 O ATOM 2727 CB LEU B 76 9.800 7.701 7.380 1.00 0.94 C ATOM 2728 CG LEU B 76 9.601 9.035 8.131 1.00 0.98 C ATOM 2729 CD1 LEU B 76 8.139 9.127 8.581 1.00 1.27 C ATOM 2730 CD2 LEU B 76 10.515 9.137 9.363 1.00 1.44 C ATOM 0 H LEU B 76 10.514 8.961 5.405 1.00 0.78 H new ATOM 0 HA LEU B 76 11.953 7.763 7.507 1.00 0.83 H new ATOM 0 HB2 LEU B 76 9.055 7.631 6.588 1.00 0.94 H new ATOM 0 HB3 LEU B 76 9.610 6.879 8.070 1.00 0.94 H new ATOM 0 HG LEU B 76 9.857 9.852 7.457 1.00 0.98 H new ATOM 0 HD11 LEU B 76 7.981 10.065 9.114 1.00 1.27 H new ATOM 0 HD12 LEU B 76 7.487 9.091 7.708 1.00 1.27 H new ATOM 0 HD13 LEU B 76 7.908 8.291 9.241 1.00 1.27 H new ATOM 0 HD21 LEU B 76 10.345 10.090 9.864 1.00 1.44 H new ATOM 0 HD22 LEU B 76 10.292 8.321 10.050 1.00 1.44 H new ATOM 0 HD23 LEU B 76 11.557 9.073 9.049 1.00 1.44 H new ATOM 2742 N THR B 77 10.858 5.593 5.241 1.00 0.78 N ATOM 2743 CA THR B 77 11.049 4.221 4.746 1.00 0.80 C ATOM 2744 C THR B 77 12.490 3.965 4.299 1.00 0.72 C ATOM 2745 O THR B 77 13.039 2.909 4.599 1.00 0.73 O ATOM 2746 CB THR B 77 10.023 3.891 3.659 1.00 0.93 C ATOM 2747 OG1 THR B 77 8.758 3.986 4.260 1.00 1.15 O ATOM 2748 CG2 THR B 77 10.224 2.458 3.161 1.00 1.09 C ATOM 0 H THR B 77 10.247 6.162 4.655 1.00 0.78 H new ATOM 0 HA THR B 77 10.873 3.536 5.575 1.00 0.80 H new ATOM 0 HB THR B 77 10.127 4.571 2.813 1.00 0.93 H new ATOM 0 HG1 THR B 77 8.443 4.913 4.216 1.00 1.15 H new ATOM 0 HG21 THR B 77 9.488 2.235 2.388 1.00 1.09 H new ATOM 0 HG22 THR B 77 11.227 2.354 2.748 1.00 1.09 H new ATOM 0 HG23 THR B 77 10.100 1.763 3.992 1.00 1.09 H new ATOM 2756 N MET B 78 13.135 4.944 3.663 1.00 0.70 N ATOM 2757 CA MET B 78 14.533 4.887 3.210 1.00 0.69 C ATOM 2758 C MET B 78 15.520 4.707 4.363 1.00 0.79 C ATOM 2759 O MET B 78 16.462 3.932 4.218 1.00 0.90 O ATOM 2760 CB MET B 78 14.832 6.151 2.386 1.00 0.66 C ATOM 2761 CG MET B 78 16.291 6.297 1.960 1.00 0.87 C ATOM 2762 SD MET B 78 16.601 7.374 0.528 1.00 1.11 S ATOM 2763 CE MET B 78 15.421 8.713 0.811 1.00 1.08 C ATOM 0 H MET B 78 12.686 5.832 3.439 1.00 0.70 H new ATOM 0 HA MET B 78 14.664 4.004 2.584 1.00 0.69 H new ATOM 0 HB2 MET B 78 14.205 6.145 1.494 1.00 0.66 H new ATOM 0 HB3 MET B 78 14.548 7.026 2.970 1.00 0.66 H new ATOM 0 HG2 MET B 78 16.859 6.681 2.807 1.00 0.87 H new ATOM 0 HG3 MET B 78 16.684 5.305 1.735 1.00 0.87 H new ATOM 0 HE1 MET B 78 15.675 9.562 0.177 1.00 1.08 H new ATOM 0 HE2 MET B 78 14.415 8.369 0.570 1.00 1.08 H new ATOM 0 HE3 MET B 78 15.460 9.017 1.857 1.00 1.08 H new ATOM 2773 N LEU B 79 15.291 5.345 5.519 1.00 0.90 N ATOM 2774 CA LEU B 79 16.041 5.022 6.732 1.00 1.17 C ATOM 2775 C LEU B 79 15.626 3.700 7.378 1.00 1.09 C ATOM 2776 O LEU B 79 16.504 2.984 7.851 1.00 1.24 O ATOM 2777 CB LEU B 79 15.973 6.183 7.735 1.00 1.50 C ATOM 2778 CG LEU B 79 16.979 7.330 7.517 1.00 1.81 C ATOM 2779 CD1 LEU B 79 18.406 6.864 7.157 1.00 2.43 C ATOM 2780 CD2 LEU B 79 16.486 8.343 6.479 1.00 2.69 C ATOM 0 H LEU B 79 14.596 6.083 5.636 1.00 0.90 H new ATOM 0 HA LEU B 79 17.077 4.882 6.424 1.00 1.17 H new ATOM 0 HB2 LEU B 79 14.966 6.600 7.708 1.00 1.50 H new ATOM 0 HB3 LEU B 79 16.124 5.780 8.736 1.00 1.50 H new ATOM 0 HG LEU B 79 17.042 7.817 8.490 1.00 1.81 H new ATOM 0 HD11 LEU B 79 19.049 7.733 7.021 1.00 2.43 H new ATOM 0 HD12 LEU B 79 18.800 6.244 7.962 1.00 2.43 H new ATOM 0 HD13 LEU B 79 18.378 6.286 6.234 1.00 2.43 H new ATOM 0 HD21 LEU B 79 17.228 9.132 6.360 1.00 2.69 H new ATOM 0 HD22 LEU B 79 16.334 7.840 5.524 1.00 2.69 H new ATOM 0 HD23 LEU B 79 15.544 8.778 6.814 1.00 2.69 H new ATOM 2792 N CYS B 80 14.341 3.332 7.371 1.00 0.93 N ATOM 2793 CA CYS B 80 13.879 2.042 7.897 1.00 0.91 C ATOM 2794 C CYS B 80 14.632 0.868 7.240 1.00 0.97 C ATOM 2795 O CYS B 80 15.223 0.047 7.937 1.00 1.02 O ATOM 2796 CB CYS B 80 12.355 1.966 7.704 1.00 0.86 C ATOM 2797 SG CYS B 80 11.706 0.473 8.494 1.00 1.07 S ATOM 0 H CYS B 80 13.592 3.918 7.001 1.00 0.93 H new ATOM 0 HA CYS B 80 14.099 1.962 8.962 1.00 0.91 H new ATOM 0 HB2 CYS B 80 11.881 2.849 8.132 1.00 0.86 H new ATOM 0 HB3 CYS B 80 12.114 1.959 6.641 1.00 0.86 H new ATOM 0 HG CYS B 80 10.418 0.419 8.327 1.00 1.07 H new ATOM 2803 N MET B 81 14.714 0.838 5.906 1.00 1.03 N ATOM 2804 CA MET B 81 15.426 -0.195 5.149 1.00 1.16 C ATOM 2805 C MET B 81 16.954 0.010 5.097 1.00 1.24 C ATOM 2806 O MET B 81 17.618 -0.644 4.299 1.00 1.56 O ATOM 2807 CB MET B 81 14.777 -0.341 3.766 1.00 1.39 C ATOM 2808 CG MET B 81 14.722 -1.825 3.384 1.00 2.53 C ATOM 2809 SD MET B 81 14.376 -2.117 1.639 1.00 3.19 S ATOM 2810 CE MET B 81 16.018 -1.670 1.022 1.00 3.09 C ATOM 0 H MET B 81 14.279 1.544 5.312 1.00 1.03 H new ATOM 0 HA MET B 81 15.322 -1.140 5.681 1.00 1.16 H new ATOM 0 HB2 MET B 81 13.772 0.081 3.777 1.00 1.39 H new ATOM 0 HB3 MET B 81 15.348 0.216 3.023 1.00 1.39 H new ATOM 0 HG2 MET B 81 15.674 -2.291 3.639 1.00 2.53 H new ATOM 0 HG3 MET B 81 13.956 -2.316 3.984 1.00 2.53 H new ATOM 0 HE1 MET B 81 15.925 -0.869 0.289 1.00 3.09 H new ATOM 0 HE2 MET B 81 16.639 -1.332 1.852 1.00 3.09 H new ATOM 0 HE3 MET B 81 16.480 -2.539 0.554 1.00 3.09 H new ATOM 2820 N ALA B 82 17.500 0.919 5.922 1.00 1.35 N ATOM 2821 CA ALA B 82 18.933 1.135 6.124 1.00 1.48 C ATOM 2822 C ALA B 82 19.432 0.736 7.534 1.00 1.28 C ATOM 2823 O ALA B 82 20.604 0.948 7.841 1.00 1.31 O ATOM 2824 CB ALA B 82 19.244 2.610 5.818 1.00 1.63 C ATOM 0 H ALA B 82 16.927 1.546 6.487 1.00 1.35 H new ATOM 0 HA ALA B 82 19.473 0.478 5.443 1.00 1.48 H new ATOM 0 HB1 ALA B 82 20.308 2.795 5.962 1.00 1.63 H new ATOM 0 HB2 ALA B 82 18.974 2.832 4.786 1.00 1.63 H new ATOM 0 HB3 ALA B 82 18.671 3.250 6.489 1.00 1.63 H new ATOM 2830 N TYR B 83 18.559 0.197 8.404 1.00 1.19 N ATOM 2831 CA TYR B 83 18.945 -0.364 9.714 1.00 1.17 C ATOM 2832 C TYR B 83 17.964 -1.383 10.342 1.00 1.22 C ATOM 2833 O TYR B 83 18.322 -2.026 11.332 1.00 1.62 O ATOM 2834 CB TYR B 83 19.294 0.768 10.708 1.00 1.19 C ATOM 2835 CG TYR B 83 18.238 1.843 10.906 1.00 1.18 C ATOM 2836 CD1 TYR B 83 17.038 1.548 11.585 1.00 1.82 C ATOM 2837 CD2 TYR B 83 18.469 3.150 10.432 1.00 2.23 C ATOM 2838 CE1 TYR B 83 16.049 2.538 11.741 1.00 1.78 C ATOM 2839 CE2 TYR B 83 17.507 4.157 10.623 1.00 2.58 C ATOM 2840 CZ TYR B 83 16.277 3.844 11.247 1.00 1.71 C ATOM 2841 OH TYR B 83 15.307 4.790 11.355 1.00 2.10 O ATOM 0 H TYR B 83 17.558 0.137 8.217 1.00 1.19 H new ATOM 0 HA TYR B 83 19.830 -0.963 9.501 1.00 1.17 H new ATOM 0 HB2 TYR B 83 19.509 0.318 11.677 1.00 1.19 H new ATOM 0 HB3 TYR B 83 20.212 1.249 10.370 1.00 1.19 H new ATOM 0 HD1 TYR B 83 16.877 0.559 11.987 1.00 1.82 H new ATOM 0 HD2 TYR B 83 19.391 3.379 9.919 1.00 2.23 H new ATOM 0 HE1 TYR B 83 15.119 2.301 12.236 1.00 1.78 H new ATOM 0 HE2 TYR B 83 17.706 5.166 10.294 1.00 2.58 H new ATOM 0 HH TYR B 83 14.763 4.612 12.151 1.00 2.10 H new ATOM 2851 N ASN B 84 16.745 -1.574 9.816 1.00 1.28 N ATOM 2852 CA ASN B 84 15.796 -2.593 10.302 1.00 1.56 C ATOM 2853 C ASN B 84 16.140 -4.021 9.829 1.00 1.71 C ATOM 2854 O ASN B 84 15.261 -4.859 9.622 1.00 2.56 O ATOM 2855 CB ASN B 84 14.326 -2.183 10.049 1.00 1.89 C ATOM 2856 CG ASN B 84 13.784 -1.161 11.045 1.00 2.82 C ATOM 2857 OD1 ASN B 84 14.494 -0.422 11.710 1.00 3.80 O ATOM 2858 ND2 ASN B 84 12.475 -1.120 11.231 1.00 3.33 N ATOM 0 H ASN B 84 16.385 -1.023 9.036 1.00 1.28 H new ATOM 0 HA ASN B 84 15.910 -2.634 11.385 1.00 1.56 H new ATOM 0 HB2 ASN B 84 14.242 -1.773 9.042 1.00 1.89 H new ATOM 0 HB3 ASN B 84 13.700 -3.075 10.083 1.00 1.89 H new ATOM 0 HD21 ASN B 84 12.077 -0.480 11.919 1.00 3.33 H new ATOM 0 HD22 ASN B 84 11.863 -1.728 10.687 1.00 3.33 H new ATOM 2865 N ASP B 85 17.424 -4.354 9.749 1.00 1.50 N ATOM 2866 CA ASP B 85 17.904 -5.707 9.475 1.00 1.65 C ATOM 2867 C ASP B 85 17.635 -6.692 10.625 1.00 1.88 C ATOM 2868 O ASP B 85 17.700 -7.903 10.433 1.00 2.18 O ATOM 2869 CB ASP B 85 19.381 -5.645 9.088 1.00 2.31 C ATOM 2870 CG ASP B 85 19.552 -4.728 7.878 1.00 3.71 C ATOM 2871 OD1 ASP B 85 19.339 -5.223 6.749 1.00 5.10 O ATOM 2872 OD2 ASP B 85 19.808 -3.528 8.121 1.00 4.23 O ATOM 0 H ASP B 85 18.177 -3.678 9.875 1.00 1.50 H new ATOM 0 HA ASP B 85 17.334 -6.108 8.636 1.00 1.65 H new ATOM 0 HB2 ASP B 85 19.972 -5.274 9.925 1.00 2.31 H new ATOM 0 HB3 ASP B 85 19.749 -6.644 8.856 1.00 2.31 H new