USER MOD reduce.3.24.130724 H: found=0, std=0, add=1209, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1209 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 11 LYS NZ :NH3+ 171:sc= 2.35 (180deg=1.05) USER MOD Set 1.2: B 15 GLN : amide:sc= -0.148 K(o=2.2,f=-3.9) USER MOD Set 2.1: A 81 SER OG : rot -121:sc= 2.41 USER MOD Set 2.2: A 146 THR OG1 : rot -81:sc= 1.21 USER MOD Set 3.1: A 75 LYS NZ :NH3+ -126:sc= -0.74! (180deg=-6.11!) USER MOD Set 3.2: B 8 THR OG1 : rot 172:sc= 0.581 USER MOD Set 4.1: A 60 ASN : amide:sc= -1.12 K(o=-0.017,f=-2.2!) USER MOD Set 4.2: A 62 THR OG1 : rot -5:sc= 1.1 USER MOD Set 5.1: A 30 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0) USER MOD Set 5.2: A 34 THR OG1 : rot 90:sc= 1.35 USER MOD Set 6.1: A 5 THR OG1 : rot 134:sc= 0.991 USER MOD Set 6.2: A 8 GLN : amide:sc= 1.35 K(o=2.3,f=-0.39) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 69:sc= 1.05 USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= 0.844 (180deg=-2.11) USER MOD Single : A 26 THR OG1 : rot 114:sc= 1.27 USER MOD Single : A 28 THR OG1 : rot -54:sc= 0.633 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.047 USER MOD Single : A 36 MET CE :methyl -170:sc= -1.57 (180deg=-1.89) USER MOD Single : A 38 SER OG : rot 74:sc= 1.36 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 44 THR OG1 : rot -71:sc= 1.25 USER MOD Single : A 49 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.45) USER MOD Single : A 51 MET CE :methyl -158:sc= 0 (180deg=-0.953) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 80:sc= 0.47 USER MOD Single : A 71 MET CE :methyl 155:sc= -0.737 (180deg=-2.34!) USER MOD Single : A 72 MET CE :methyl 179:sc= -0.242 (180deg=-0.242) USER MOD Single : A 76 MET CE :methyl -148:sc= -0.0631 (180deg=-2.11!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 37:sc= 0.813 USER MOD Single : A 94 LYS NZ :NH3+ -101:sc= 1.27 (180deg=-0.512) USER MOD Single : A 97 ASN : amide:sc= -1.42! C(o=-1.4!,f=-2.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 107 HIS : no HD1:sc= 0.158 K(o=0.16,f=-0.84) USER MOD Single : A 109 MET CE :methyl -163:sc= -1.43 (180deg=-2.04!) USER MOD Single : A 110 THR OG1 : rot 71:sc= 1.27 USER MOD Single : A 111 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.3!) USER MOD Single : A 115 LYS NZ :NH3+ 150:sc= 2.1 (180deg=0.0869) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 124 MET CE :methyl 171:sc= -1.42 (180deg=-1.68) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 137 ASN : amide:sc= 0.139 K(o=0.14,f=-7.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0.635 USER MOD Single : A 143 GLN : amide:sc= -0.688 K(o=-0.69,f=0) USER MOD Single : A 144 MET CE :methyl -160:sc= -4.41 (180deg=-6.07!) USER MOD Single : A 145 MET CE :methyl 177:sc= -2.87 (180deg=-2.96) USER MOD Single : B 1 MET CE :methyl 168:sc= -0.37 (180deg=-0.655) USER MOD Single : B 1 MET N :NH3+ -174:sc= 1.78 (180deg=1.31) USER MOD Single : B 3 CYS SG : rot -57:sc= -6.8! USER MOD Single : B 5 CYS SG : rot -20:sc= -2.97! USER MOD Single : B 9 THR OG1 : rot 79:sc= 1.22 USER MOD Single : B 10 LYS NZ :NH3+ -172:sc= -0.552 (180deg=-0.953!) USER MOD Single : B 12 TYR OH : rot -74:sc= -0.436 USER MOD Single : B 14 TYR OH : rot 53:sc= 1.09 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 5 0.642 17.194 2.986 1.00 1.17 N ATOM 21 CA THR A 5 1.591 17.881 2.140 1.00 1.07 C ATOM 22 C THR A 5 1.064 18.052 0.710 1.00 0.97 C ATOM 23 O THR A 5 0.222 17.277 0.247 1.00 0.96 O ATOM 24 CB THR A 5 2.920 17.131 2.161 1.00 1.11 C ATOM 25 OG1 THR A 5 2.699 15.798 2.638 1.00 1.25 O ATOM 26 CG2 THR A 5 3.909 17.848 3.066 1.00 1.21 C ATOM 0 HA THR A 5 1.743 18.887 2.532 1.00 1.07 H new ATOM 0 HB THR A 5 3.333 17.095 1.153 1.00 1.11 H new ATOM 0 HG1 THR A 5 3.171 15.162 2.061 1.00 1.25 H new ATOM 0 HG21 THR A 5 4.854 17.305 3.074 1.00 1.21 H new ATOM 0 HG22 THR A 5 4.075 18.859 2.695 1.00 1.21 H new ATOM 0 HG23 THR A 5 3.508 17.894 4.079 1.00 1.21 H new ATOM 34 N GLU A 6 1.564 19.074 0.034 1.00 0.93 N ATOM 35 CA GLU A 6 1.127 19.402 -1.332 1.00 0.88 C ATOM 36 C GLU A 6 1.476 18.327 -2.354 1.00 0.84 C ATOM 37 O GLU A 6 0.652 17.995 -3.205 1.00 0.82 O ATOM 38 CB GLU A 6 1.699 20.746 -1.772 1.00 0.92 C ATOM 39 CG GLU A 6 1.667 21.810 -0.686 1.00 1.07 C ATOM 40 CD GLU A 6 2.842 22.768 -0.781 1.00 1.44 C ATOM 41 OE1 GLU A 6 3.678 22.593 -1.687 1.00 1.91 O ATOM 42 OE2 GLU A 6 2.941 23.689 0.056 1.00 1.97 O ATOM 0 H GLU A 6 2.279 19.701 0.404 1.00 0.93 H new ATOM 0 HA GLU A 6 0.039 19.459 -1.295 1.00 0.88 H new ATOM 0 HB2 GLU A 6 2.729 20.603 -2.098 1.00 0.92 H new ATOM 0 HB3 GLU A 6 1.138 21.104 -2.636 1.00 0.92 H new ATOM 0 HG2 GLU A 6 0.736 22.372 -0.759 1.00 1.07 H new ATOM 0 HG3 GLU A 6 1.672 21.328 0.292 1.00 1.07 H new ATOM 49 N GLU A 7 2.694 17.792 -2.298 1.00 0.86 N ATOM 50 CA GLU A 7 3.087 16.753 -3.254 1.00 0.85 C ATOM 51 C GLU A 7 2.188 15.536 -3.085 1.00 0.84 C ATOM 52 O GLU A 7 1.829 14.881 -4.062 1.00 0.82 O ATOM 53 CB GLU A 7 4.571 16.360 -3.135 1.00 0.90 C ATOM 54 CG GLU A 7 5.288 16.923 -1.921 1.00 1.18 C ATOM 55 CD GLU A 7 5.053 16.087 -0.687 1.00 1.58 C ATOM 56 OE1 GLU A 7 3.906 16.062 -0.208 1.00 1.76 O ATOM 57 OE2 GLU A 7 6.014 15.448 -0.199 1.00 1.98 O ATOM 0 H GLU A 7 3.411 18.050 -1.620 1.00 0.86 H new ATOM 0 HA GLU A 7 2.962 17.165 -4.255 1.00 0.85 H new ATOM 0 HB2 GLU A 7 4.642 15.273 -3.109 1.00 0.90 H new ATOM 0 HB3 GLU A 7 5.092 16.692 -4.033 1.00 0.90 H new ATOM 0 HG2 GLU A 7 6.358 16.976 -2.124 1.00 1.18 H new ATOM 0 HG3 GLU A 7 4.947 17.942 -1.739 1.00 1.18 H new ATOM 64 N GLN A 8 1.824 15.240 -1.838 1.00 0.87 N ATOM 65 CA GLN A 8 0.924 14.137 -1.560 1.00 0.89 C ATOM 66 C GLN A 8 -0.428 14.415 -2.193 1.00 0.83 C ATOM 67 O GLN A 8 -0.994 13.543 -2.843 1.00 0.81 O ATOM 68 CB GLN A 8 0.774 13.881 -0.062 1.00 0.99 C ATOM 69 CG GLN A 8 1.610 12.706 0.417 1.00 1.24 C ATOM 70 CD GLN A 8 3.064 13.074 0.603 1.00 1.43 C ATOM 71 OE1 GLN A 8 3.502 13.374 1.709 1.00 1.54 O ATOM 72 NE2 GLN A 8 3.819 13.063 -0.482 1.00 1.62 N ATOM 0 H GLN A 8 2.140 15.749 -1.013 1.00 0.87 H new ATOM 0 HA GLN A 8 1.353 13.234 -1.994 1.00 0.89 H new ATOM 0 HB2 GLN A 8 1.065 14.777 0.487 1.00 0.99 H new ATOM 0 HB3 GLN A 8 -0.275 13.693 0.167 1.00 0.99 H new ATOM 0 HG2 GLN A 8 1.207 12.337 1.360 1.00 1.24 H new ATOM 0 HG3 GLN A 8 1.533 11.891 -0.303 1.00 1.24 H new ATOM 0 HE21 GLN A 8 3.414 12.807 -1.383 1.00 1.62 H new ATOM 0 HE22 GLN A 8 4.807 13.310 -0.419 1.00 1.62 H new ATOM 81 N ILE A 9 -0.953 15.621 -1.971 1.00 0.84 N ATOM 82 CA ILE A 9 -2.218 16.035 -2.578 1.00 0.83 C ATOM 83 C ILE A 9 -2.168 15.789 -4.082 1.00 0.77 C ATOM 84 O ILE A 9 -3.112 15.262 -4.677 1.00 0.78 O ATOM 85 CB ILE A 9 -2.500 17.539 -2.320 1.00 0.87 C ATOM 86 CG1 ILE A 9 -2.875 17.780 -0.853 1.00 0.92 C ATOM 87 CG2 ILE A 9 -3.596 18.065 -3.244 1.00 0.92 C ATOM 88 CD1 ILE A 9 -4.280 17.336 -0.499 1.00 1.13 C ATOM 0 H ILE A 9 -0.522 16.328 -1.375 1.00 0.84 H new ATOM 0 HA ILE A 9 -3.018 15.449 -2.125 1.00 0.83 H new ATOM 0 HB ILE A 9 -1.584 18.088 -2.538 1.00 0.87 H new ATOM 0 HG12 ILE A 9 -2.166 17.252 -0.215 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -2.773 18.842 -0.632 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -3.770 19.121 -3.038 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -3.286 17.944 -4.282 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -4.516 17.506 -3.073 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -4.471 17.539 0.555 1.00 1.13 H new ATOM 0 HD12 ILE A 9 -4.999 17.882 -1.110 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -4.382 16.267 -0.687 1.00 1.13 H new ATOM 100 N ALA A 10 -1.038 16.146 -4.674 1.00 0.74 N ATOM 101 CA ALA A 10 -0.823 15.968 -6.098 1.00 0.71 C ATOM 102 C ALA A 10 -0.806 14.480 -6.455 1.00 0.68 C ATOM 103 O ALA A 10 -1.325 14.075 -7.497 1.00 0.70 O ATOM 104 CB ALA A 10 0.475 16.649 -6.516 1.00 0.74 C ATOM 0 H ALA A 10 -0.249 16.565 -4.182 1.00 0.74 H new ATOM 0 HA ALA A 10 -1.645 16.432 -6.643 1.00 0.71 H new ATOM 0 HB1 ALA A 10 0.630 16.511 -7.586 1.00 0.74 H new ATOM 0 HB2 ALA A 10 0.416 17.714 -6.292 1.00 0.74 H new ATOM 0 HB3 ALA A 10 1.309 16.209 -5.969 1.00 0.74 H new ATOM 110 N GLU A 11 -0.209 13.672 -5.581 1.00 0.68 N ATOM 111 CA GLU A 11 -0.141 12.229 -5.782 1.00 0.69 C ATOM 112 C GLU A 11 -1.533 11.614 -5.711 1.00 0.65 C ATOM 113 O GLU A 11 -1.953 10.902 -6.622 1.00 0.62 O ATOM 114 CB GLU A 11 0.746 11.575 -4.719 1.00 0.75 C ATOM 115 CG GLU A 11 2.229 11.572 -5.042 1.00 0.96 C ATOM 116 CD GLU A 11 3.043 10.880 -3.960 1.00 1.07 C ATOM 117 OE1 GLU A 11 3.282 11.501 -2.899 1.00 1.21 O ATOM 118 OE2 GLU A 11 3.416 9.694 -4.144 1.00 1.57 O ATOM 0 H GLU A 11 0.236 13.996 -4.723 1.00 0.68 H new ATOM 0 HA GLU A 11 0.287 12.051 -6.769 1.00 0.69 H new ATOM 0 HB2 GLU A 11 0.596 12.093 -3.772 1.00 0.75 H new ATOM 0 HB3 GLU A 11 0.418 10.546 -4.575 1.00 0.75 H new ATOM 0 HG2 GLU A 11 2.392 11.070 -5.996 1.00 0.96 H new ATOM 0 HG3 GLU A 11 2.577 12.598 -5.158 1.00 0.96 H new ATOM 125 N PHE A 12 -2.248 11.894 -4.621 1.00 0.67 N ATOM 126 CA PHE A 12 -3.593 11.363 -4.415 1.00 0.67 C ATOM 127 C PHE A 12 -4.535 11.806 -5.523 1.00 0.66 C ATOM 128 O PHE A 12 -5.504 11.114 -5.840 1.00 0.64 O ATOM 129 CB PHE A 12 -4.123 11.766 -3.037 1.00 0.73 C ATOM 130 CG PHE A 12 -3.430 11.025 -1.926 1.00 1.01 C ATOM 131 CD1 PHE A 12 -3.657 9.674 -1.732 1.00 1.39 C ATOM 132 CD2 PHE A 12 -2.527 11.673 -1.103 1.00 1.29 C ATOM 133 CE1 PHE A 12 -2.998 8.982 -0.737 1.00 1.80 C ATOM 134 CE2 PHE A 12 -1.871 10.985 -0.100 1.00 1.66 C ATOM 135 CZ PHE A 12 -2.103 9.639 0.079 1.00 1.85 C ATOM 0 H PHE A 12 -1.914 12.490 -3.863 1.00 0.67 H new ATOM 0 HA PHE A 12 -3.540 10.275 -4.451 1.00 0.67 H new ATOM 0 HB2 PHE A 12 -3.988 12.838 -2.896 1.00 0.73 H new ATOM 0 HB3 PHE A 12 -5.194 11.571 -2.990 1.00 0.73 H new ATOM 0 HD1 PHE A 12 -4.359 9.155 -2.368 1.00 1.39 H new ATOM 0 HD2 PHE A 12 -2.333 12.726 -1.245 1.00 1.29 H new ATOM 0 HE1 PHE A 12 -3.183 7.927 -0.598 1.00 1.80 H new ATOM 0 HE2 PHE A 12 -1.176 11.503 0.544 1.00 1.66 H new ATOM 0 HZ PHE A 12 -1.584 9.100 0.858 1.00 1.85 H new ATOM 145 N LYS A 13 -4.263 12.973 -6.107 1.00 0.67 N ATOM 146 CA LYS A 13 -5.070 13.467 -7.213 1.00 0.69 C ATOM 147 C LYS A 13 -5.044 12.441 -8.358 1.00 0.64 C ATOM 148 O LYS A 13 -6.066 12.192 -9.010 1.00 0.64 O ATOM 149 CB LYS A 13 -4.537 14.815 -7.716 1.00 0.75 C ATOM 150 CG LYS A 13 -5.496 15.529 -8.656 1.00 0.91 C ATOM 151 CD LYS A 13 -4.765 16.432 -9.640 1.00 1.14 C ATOM 152 CE LYS A 13 -4.068 15.626 -10.727 1.00 1.25 C ATOM 153 NZ LYS A 13 -3.536 16.494 -11.812 1.00 1.50 N ATOM 0 H LYS A 13 -3.496 13.587 -5.833 1.00 0.67 H new ATOM 0 HA LYS A 13 -6.093 13.610 -6.865 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -4.331 15.458 -6.861 1.00 0.75 H new ATOM 0 HB3 LYS A 13 -3.589 14.654 -8.229 1.00 0.75 H new ATOM 0 HG2 LYS A 13 -6.080 14.792 -9.206 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -6.200 16.123 -8.073 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -5.474 17.123 -10.096 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -4.031 17.035 -9.106 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -3.251 15.055 -10.287 1.00 1.25 H new ATOM 0 HE3 LYS A 13 -4.769 14.906 -11.150 1.00 1.25 H new ATOM 0 HZ1 LYS A 13 -3.070 15.905 -12.531 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -4.318 17.021 -12.250 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -2.848 17.164 -11.414 1.00 1.50 H new ATOM 167 N GLU A 14 -3.882 11.827 -8.565 1.00 0.61 N ATOM 168 CA GLU A 14 -3.726 10.815 -9.594 1.00 0.59 C ATOM 169 C GLU A 14 -4.480 9.550 -9.206 1.00 0.53 C ATOM 170 O GLU A 14 -5.017 8.853 -10.064 1.00 0.53 O ATOM 171 CB GLU A 14 -2.257 10.489 -9.827 1.00 0.63 C ATOM 172 CG GLU A 14 -1.516 11.533 -10.637 1.00 0.98 C ATOM 173 CD GLU A 14 -0.494 10.912 -11.561 1.00 1.04 C ATOM 174 OE1 GLU A 14 -0.887 10.404 -12.630 1.00 1.45 O ATOM 175 OE2 GLU A 14 0.709 10.923 -11.220 1.00 1.64 O ATOM 0 H GLU A 14 -3.035 12.017 -8.029 1.00 0.61 H new ATOM 0 HA GLU A 14 -4.140 11.212 -10.521 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -1.763 10.375 -8.862 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -2.185 9.529 -10.338 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -2.230 12.112 -11.223 1.00 0.98 H new ATOM 0 HG3 GLU A 14 -1.019 12.230 -9.962 1.00 0.98 H new ATOM 182 N ALA A 15 -4.521 9.257 -7.908 1.00 0.51 N ATOM 183 CA ALA A 15 -5.239 8.083 -7.431 1.00 0.47 C ATOM 184 C ALA A 15 -6.715 8.243 -7.761 1.00 0.45 C ATOM 185 O ALA A 15 -7.356 7.314 -8.246 1.00 0.44 O ATOM 186 CB ALA A 15 -5.030 7.867 -5.944 1.00 0.48 C ATOM 0 H ALA A 15 -4.071 9.810 -7.178 1.00 0.51 H new ATOM 0 HA ALA A 15 -4.848 7.198 -7.933 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -5.581 6.982 -5.624 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -3.968 7.726 -5.743 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -5.391 8.737 -5.396 1.00 0.48 H new ATOM 192 N PHE A 16 -7.237 9.432 -7.503 1.00 0.46 N ATOM 193 CA PHE A 16 -8.625 9.743 -7.825 1.00 0.47 C ATOM 194 C PHE A 16 -8.844 9.571 -9.329 1.00 0.48 C ATOM 195 O PHE A 16 -9.872 9.058 -9.762 1.00 0.49 O ATOM 196 CB PHE A 16 -8.965 11.185 -7.421 1.00 0.54 C ATOM 197 CG PHE A 16 -9.753 11.281 -6.147 1.00 0.49 C ATOM 198 CD1 PHE A 16 -11.032 10.749 -6.066 1.00 0.78 C ATOM 199 CD2 PHE A 16 -9.220 11.904 -5.028 1.00 0.91 C ATOM 200 CE1 PHE A 16 -11.761 10.837 -4.896 1.00 1.11 C ATOM 201 CE2 PHE A 16 -9.946 11.994 -3.857 1.00 1.22 C ATOM 202 CZ PHE A 16 -11.217 11.459 -3.791 1.00 1.23 C ATOM 0 H PHE A 16 -6.722 10.199 -7.071 1.00 0.46 H new ATOM 0 HA PHE A 16 -9.275 9.064 -7.272 1.00 0.47 H new ATOM 0 HB2 PHE A 16 -8.040 11.750 -7.310 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -9.531 11.655 -8.225 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -11.462 10.260 -6.928 1.00 0.78 H new ATOM 0 HD2 PHE A 16 -8.226 12.323 -5.073 1.00 0.91 H new ATOM 0 HE1 PHE A 16 -12.756 10.419 -4.846 1.00 1.11 H new ATOM 0 HE2 PHE A 16 -9.520 12.483 -2.993 1.00 1.22 H new ATOM 0 HZ PHE A 16 -11.785 11.527 -2.875 1.00 1.23 H new ATOM 212 N SER A 17 -7.837 9.964 -10.102 1.00 0.52 N ATOM 213 CA SER A 17 -7.901 9.884 -11.551 1.00 0.56 C ATOM 214 C SER A 17 -7.911 8.436 -12.039 1.00 0.49 C ATOM 215 O SER A 17 -8.342 8.155 -13.156 1.00 0.55 O ATOM 216 CB SER A 17 -6.730 10.650 -12.173 1.00 0.64 C ATOM 217 OG SER A 17 -6.723 12.003 -11.738 1.00 0.77 O ATOM 0 H SER A 17 -6.961 10.344 -9.742 1.00 0.52 H new ATOM 0 HA SER A 17 -8.838 10.342 -11.869 1.00 0.56 H new ATOM 0 HB2 SER A 17 -5.790 10.171 -11.900 1.00 0.64 H new ATOM 0 HB3 SER A 17 -6.802 10.613 -13.260 1.00 0.64 H new ATOM 0 HG SER A 17 -6.493 12.039 -10.786 1.00 0.77 H new ATOM 223 N LEU A 18 -7.425 7.512 -11.223 1.00 0.42 N ATOM 224 CA LEU A 18 -7.434 6.121 -11.630 1.00 0.38 C ATOM 225 C LEU A 18 -8.649 5.399 -11.058 1.00 0.36 C ATOM 226 O LEU A 18 -9.221 4.543 -11.728 1.00 0.38 O ATOM 227 CB LEU A 18 -6.116 5.396 -11.288 1.00 0.42 C ATOM 228 CG LEU A 18 -5.907 4.968 -9.835 1.00 0.87 C ATOM 229 CD1 LEU A 18 -6.244 3.490 -9.652 1.00 1.43 C ATOM 230 CD2 LEU A 18 -4.468 5.239 -9.431 1.00 1.02 C ATOM 0 H LEU A 18 -7.030 7.695 -10.300 1.00 0.42 H new ATOM 0 HA LEU A 18 -7.513 6.101 -12.717 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -6.048 4.507 -11.915 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -5.289 6.048 -11.570 1.00 0.42 H new ATOM 0 HG LEU A 18 -6.575 5.545 -9.196 1.00 0.87 H new ATOM 0 HD11 LEU A 18 -6.088 3.207 -8.611 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -7.286 3.318 -9.922 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -5.599 2.888 -10.292 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -4.317 4.934 -8.395 1.00 1.02 H new ATOM 0 HD22 LEU A 18 -3.796 4.674 -10.077 1.00 1.02 H new ATOM 0 HD23 LEU A 18 -4.256 6.304 -9.531 1.00 1.02 H new ATOM 242 N PHE A 19 -9.063 5.738 -9.835 1.00 0.35 N ATOM 243 CA PHE A 19 -10.241 5.107 -9.238 1.00 0.35 C ATOM 244 C PHE A 19 -11.504 5.539 -9.975 1.00 0.35 C ATOM 245 O PHE A 19 -12.355 4.718 -10.310 1.00 0.37 O ATOM 246 CB PHE A 19 -10.368 5.485 -7.752 1.00 0.35 C ATOM 247 CG PHE A 19 -9.475 4.705 -6.825 1.00 0.36 C ATOM 248 CD1 PHE A 19 -9.395 3.322 -6.903 1.00 0.41 C ATOM 249 CD2 PHE A 19 -8.720 5.360 -5.874 1.00 0.41 C ATOM 250 CE1 PHE A 19 -8.572 2.610 -6.054 1.00 0.50 C ATOM 251 CE2 PHE A 19 -7.893 4.657 -5.018 1.00 0.51 C ATOM 252 CZ PHE A 19 -7.816 3.276 -5.107 1.00 0.56 C ATOM 0 H PHE A 19 -8.608 6.435 -9.246 1.00 0.35 H new ATOM 0 HA PHE A 19 -10.122 4.027 -9.322 1.00 0.35 H new ATOM 0 HB2 PHE A 19 -10.145 6.546 -7.641 1.00 0.35 H new ATOM 0 HB3 PHE A 19 -11.403 5.342 -7.442 1.00 0.35 H new ATOM 0 HD1 PHE A 19 -9.985 2.795 -7.638 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -8.776 6.436 -5.797 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -8.519 1.534 -6.129 1.00 0.50 H new ATOM 0 HE2 PHE A 19 -7.307 5.184 -4.280 1.00 0.51 H new ATOM 0 HZ PHE A 19 -7.170 2.724 -4.441 1.00 0.56 H new ATOM 262 N ASP A 20 -11.610 6.834 -10.231 1.00 0.36 N ATOM 263 CA ASP A 20 -12.766 7.385 -10.916 1.00 0.38 C ATOM 264 C ASP A 20 -12.647 7.167 -12.423 1.00 0.44 C ATOM 265 O ASP A 20 -11.588 7.385 -13.017 1.00 0.50 O ATOM 266 CB ASP A 20 -12.907 8.874 -10.590 1.00 0.40 C ATOM 267 CG ASP A 20 -14.110 9.503 -11.249 1.00 0.43 C ATOM 268 OD1 ASP A 20 -13.993 9.964 -12.401 1.00 0.54 O ATOM 269 OD2 ASP A 20 -15.183 9.540 -10.610 1.00 0.42 O ATOM 0 H ASP A 20 -10.905 7.525 -9.973 1.00 0.36 H new ATOM 0 HA ASP A 20 -13.662 6.869 -10.570 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -12.982 9.000 -9.510 1.00 0.40 H new ATOM 0 HB3 ASP A 20 -12.007 9.399 -10.910 1.00 0.40 H new ATOM 274 N LYS A 21 -13.726 6.705 -13.029 1.00 0.45 N ATOM 275 CA LYS A 21 -13.748 6.436 -14.461 1.00 0.52 C ATOM 276 C LYS A 21 -14.951 7.099 -15.139 1.00 0.55 C ATOM 277 O LYS A 21 -15.069 7.076 -16.367 1.00 0.72 O ATOM 278 CB LYS A 21 -13.781 4.921 -14.702 1.00 0.53 C ATOM 279 CG LYS A 21 -12.510 4.200 -14.265 1.00 0.58 C ATOM 280 CD LYS A 21 -11.466 4.205 -15.371 1.00 0.71 C ATOM 281 CE LYS A 21 -10.052 4.252 -14.815 1.00 0.73 C ATOM 282 NZ LYS A 21 -9.762 5.549 -14.150 1.00 0.62 N ATOM 0 H LYS A 21 -14.605 6.506 -12.551 1.00 0.45 H new ATOM 0 HA LYS A 21 -12.844 6.859 -14.899 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -14.631 4.496 -14.168 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -13.946 4.735 -15.763 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -12.103 4.681 -13.376 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -12.748 3.172 -13.991 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -11.585 3.313 -15.986 1.00 0.71 H new ATOM 0 HD3 LYS A 21 -11.629 5.065 -16.021 1.00 0.71 H new ATOM 0 HE2 LYS A 21 -9.915 3.439 -14.102 1.00 0.73 H new ATOM 0 HE3 LYS A 21 -9.338 4.090 -15.623 1.00 0.73 H new ATOM 0 HZ1 LYS A 21 -8.812 5.873 -14.421 1.00 0.62 H new ATOM 0 HZ2 LYS A 21 -10.466 6.255 -14.445 1.00 0.62 H new ATOM 0 HZ3 LYS A 21 -9.805 5.427 -13.118 1.00 0.62 H new ATOM 296 N ASP A 22 -15.832 7.695 -14.343 1.00 0.49 N ATOM 297 CA ASP A 22 -17.029 8.342 -14.882 1.00 0.52 C ATOM 298 C ASP A 22 -16.854 9.855 -14.980 1.00 0.53 C ATOM 299 O ASP A 22 -17.588 10.528 -15.705 1.00 0.57 O ATOM 300 CB ASP A 22 -18.267 8.012 -14.028 1.00 0.51 C ATOM 301 CG ASP A 22 -18.038 8.218 -12.543 1.00 0.47 C ATOM 302 OD1 ASP A 22 -17.398 9.206 -12.157 1.00 0.47 O ATOM 303 OD2 ASP A 22 -18.473 7.375 -11.733 1.00 0.47 O ATOM 0 H ASP A 22 -15.744 7.745 -13.328 1.00 0.49 H new ATOM 0 HA ASP A 22 -17.180 7.950 -15.888 1.00 0.52 H new ATOM 0 HB2 ASP A 22 -19.100 8.636 -14.351 1.00 0.51 H new ATOM 0 HB3 ASP A 22 -18.557 6.976 -14.205 1.00 0.51 H new ATOM 308 N GLY A 23 -15.888 10.387 -14.254 1.00 0.52 N ATOM 309 CA GLY A 23 -15.643 11.811 -14.277 1.00 0.55 C ATOM 310 C GLY A 23 -16.490 12.564 -13.270 1.00 0.54 C ATOM 311 O GLY A 23 -16.587 13.788 -13.333 1.00 0.59 O ATOM 0 H GLY A 23 -15.265 9.855 -13.646 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -14.589 11.998 -14.072 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -15.846 12.195 -15.277 1.00 0.55 H new ATOM 315 N ASP A 24 -17.121 11.837 -12.353 1.00 0.50 N ATOM 316 CA ASP A 24 -17.952 12.466 -11.329 1.00 0.51 C ATOM 317 C ASP A 24 -17.083 12.911 -10.153 1.00 0.51 C ATOM 318 O ASP A 24 -17.451 13.818 -9.406 1.00 0.58 O ATOM 319 CB ASP A 24 -19.085 11.528 -10.887 1.00 0.50 C ATOM 320 CG ASP A 24 -18.858 10.885 -9.539 1.00 0.47 C ATOM 321 OD1 ASP A 24 -17.961 10.019 -9.427 1.00 0.44 O ATOM 322 OD2 ASP A 24 -19.594 11.220 -8.589 1.00 0.57 O ATOM 0 H ASP A 24 -17.074 10.820 -12.297 1.00 0.50 H new ATOM 0 HA ASP A 24 -18.425 13.353 -11.750 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -20.018 12.091 -10.858 1.00 0.50 H new ATOM 0 HB3 ASP A 24 -19.208 10.745 -11.636 1.00 0.50 H new ATOM 327 N GLY A 25 -15.924 12.268 -9.996 1.00 0.47 N ATOM 328 CA GLY A 25 -14.993 12.647 -8.945 1.00 0.50 C ATOM 329 C GLY A 25 -15.185 11.886 -7.651 1.00 0.50 C ATOM 330 O GLY A 25 -14.422 12.066 -6.704 1.00 0.74 O ATOM 0 H GLY A 25 -15.615 11.491 -10.580 1.00 0.47 H new ATOM 0 HA2 GLY A 25 -13.975 12.488 -9.301 1.00 0.50 H new ATOM 0 HA3 GLY A 25 -15.099 13.714 -8.747 1.00 0.50 H new ATOM 334 N THR A 26 -16.197 11.038 -7.601 1.00 0.41 N ATOM 335 CA THR A 26 -16.474 10.253 -6.406 1.00 0.39 C ATOM 336 C THR A 26 -16.239 8.765 -6.679 1.00 0.34 C ATOM 337 O THR A 26 -16.357 8.306 -7.822 1.00 0.37 O ATOM 338 CB THR A 26 -17.922 10.478 -5.926 1.00 0.42 C ATOM 339 OG1 THR A 26 -18.403 11.744 -6.400 1.00 0.47 O ATOM 340 CG2 THR A 26 -18.010 10.451 -4.408 1.00 0.46 C ATOM 0 H THR A 26 -16.842 10.874 -8.374 1.00 0.41 H new ATOM 0 HA THR A 26 -15.794 10.581 -5.620 1.00 0.39 H new ATOM 0 HB THR A 26 -18.535 9.671 -6.326 1.00 0.42 H new ATOM 0 HG1 THR A 26 -19.135 11.599 -7.035 1.00 0.47 H new ATOM 0 HG21 THR A 26 -19.043 10.613 -4.101 1.00 0.46 H new ATOM 0 HG22 THR A 26 -17.669 9.483 -4.041 1.00 0.46 H new ATOM 0 HG23 THR A 26 -17.381 11.238 -3.993 1.00 0.46 H new ATOM 348 N ILE A 27 -15.893 8.026 -5.634 1.00 0.33 N ATOM 349 CA ILE A 27 -15.630 6.599 -5.747 1.00 0.31 C ATOM 350 C ILE A 27 -16.922 5.784 -5.687 1.00 0.32 C ATOM 351 O ILE A 27 -17.666 5.861 -4.711 1.00 0.41 O ATOM 352 CB ILE A 27 -14.700 6.126 -4.604 1.00 0.33 C ATOM 353 CG1 ILE A 27 -13.235 6.462 -4.888 1.00 0.34 C ATOM 354 CG2 ILE A 27 -14.847 4.635 -4.358 1.00 0.37 C ATOM 355 CD1 ILE A 27 -12.636 7.435 -3.904 1.00 0.37 C ATOM 0 H ILE A 27 -15.787 8.396 -4.690 1.00 0.33 H new ATOM 0 HA ILE A 27 -15.150 6.439 -6.713 1.00 0.31 H new ATOM 0 HB ILE A 27 -15.006 6.664 -3.707 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -12.651 5.542 -4.877 1.00 0.34 H new ATOM 0 HG13 ILE A 27 -13.155 6.878 -5.892 1.00 0.34 H new ATOM 0 HG21 ILE A 27 -14.181 4.332 -3.550 1.00 0.37 H new ATOM 0 HG22 ILE A 27 -15.878 4.412 -4.082 1.00 0.37 H new ATOM 0 HG23 ILE A 27 -14.588 4.089 -5.265 1.00 0.37 H new ATOM 0 HD11 ILE A 27 -11.596 7.626 -4.168 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -13.195 8.370 -3.931 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -12.684 7.013 -2.900 1.00 0.37 H new ATOM 367 N THR A 28 -17.194 5.011 -6.725 1.00 0.31 N ATOM 368 CA THR A 28 -18.373 4.164 -6.733 1.00 0.33 C ATOM 369 C THR A 28 -17.963 2.726 -6.463 1.00 0.32 C ATOM 370 O THR A 28 -16.770 2.408 -6.413 1.00 0.33 O ATOM 371 CB THR A 28 -19.136 4.222 -8.067 1.00 0.37 C ATOM 372 OG1 THR A 28 -18.268 3.860 -9.142 1.00 0.39 O ATOM 373 CG2 THR A 28 -19.704 5.609 -8.308 1.00 0.41 C ATOM 0 H THR A 28 -16.620 4.953 -7.566 1.00 0.31 H new ATOM 0 HA THR A 28 -19.040 4.534 -5.954 1.00 0.33 H new ATOM 0 HB THR A 28 -19.964 3.515 -8.017 1.00 0.37 H new ATOM 0 HG1 THR A 28 -17.464 4.420 -9.116 1.00 0.39 H new ATOM 0 HG21 THR A 28 -20.239 5.623 -9.258 1.00 0.41 H new ATOM 0 HG22 THR A 28 -20.390 5.866 -7.501 1.00 0.41 H new ATOM 0 HG23 THR A 28 -18.891 6.335 -8.338 1.00 0.41 H new ATOM 381 N THR A 29 -18.943 1.860 -6.313 1.00 0.32 N ATOM 382 CA THR A 29 -18.686 0.462 -6.059 1.00 0.34 C ATOM 383 C THR A 29 -18.264 -0.223 -7.359 1.00 0.34 C ATOM 384 O THR A 29 -17.458 -1.153 -7.362 1.00 0.38 O ATOM 385 CB THR A 29 -19.952 -0.217 -5.509 1.00 0.38 C ATOM 386 OG1 THR A 29 -20.814 0.784 -4.946 1.00 0.57 O ATOM 387 CG2 THR A 29 -19.602 -1.250 -4.448 1.00 0.60 C ATOM 0 H THR A 29 -19.932 2.104 -6.364 1.00 0.32 H new ATOM 0 HA THR A 29 -17.887 0.375 -5.322 1.00 0.34 H new ATOM 0 HB THR A 29 -20.458 -0.731 -6.327 1.00 0.38 H new ATOM 0 HG1 THR A 29 -21.624 0.358 -4.595 1.00 0.57 H new ATOM 0 HG21 THR A 29 -20.516 -1.714 -4.077 1.00 0.60 H new ATOM 0 HG22 THR A 29 -18.958 -2.014 -4.883 1.00 0.60 H new ATOM 0 HG23 THR A 29 -19.082 -0.763 -3.623 1.00 0.60 H new ATOM 395 N LYS A 30 -18.801 0.277 -8.466 1.00 0.35 N ATOM 396 CA LYS A 30 -18.517 -0.279 -9.774 1.00 0.39 C ATOM 397 C LYS A 30 -17.147 0.136 -10.282 1.00 0.36 C ATOM 398 O LYS A 30 -16.502 -0.633 -10.997 1.00 0.37 O ATOM 399 CB LYS A 30 -19.595 0.143 -10.781 1.00 0.46 C ATOM 400 CG LYS A 30 -19.862 -0.884 -11.875 1.00 0.74 C ATOM 401 CD LYS A 30 -18.873 -0.761 -13.019 1.00 1.11 C ATOM 402 CE LYS A 30 -18.165 -2.080 -13.280 1.00 1.68 C ATOM 403 NZ LYS A 30 -16.915 -1.890 -14.062 1.00 2.22 N ATOM 0 H LYS A 30 -19.439 1.072 -8.478 1.00 0.35 H new ATOM 0 HA LYS A 30 -18.521 -1.364 -9.671 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -20.524 0.335 -10.244 1.00 0.46 H new ATOM 0 HB3 LYS A 30 -19.295 1.083 -11.245 1.00 0.46 H new ATOM 0 HG2 LYS A 30 -19.806 -1.887 -11.453 1.00 0.74 H new ATOM 0 HG3 LYS A 30 -20.875 -0.754 -12.255 1.00 0.74 H new ATOM 0 HD2 LYS A 30 -19.395 -0.441 -13.921 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -18.138 0.009 -12.786 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -17.930 -2.561 -12.330 1.00 1.68 H new ATOM 0 HE3 LYS A 30 -18.833 -2.751 -13.820 1.00 1.68 H new ATOM 0 HZ1 LYS A 30 -16.717 -2.749 -14.614 1.00 2.22 H new ATOM 0 HZ2 LYS A 30 -17.029 -1.082 -14.707 1.00 2.22 H new ATOM 0 HZ3 LYS A 30 -16.124 -1.706 -13.413 1.00 2.22 H new ATOM 417 N GLU A 31 -16.646 1.321 -9.892 1.00 0.37 N ATOM 418 CA GLU A 31 -15.369 1.772 -10.385 1.00 0.37 C ATOM 419 C GLU A 31 -14.242 0.956 -9.761 1.00 0.36 C ATOM 420 O GLU A 31 -13.479 0.300 -10.470 1.00 0.38 O ATOM 421 CB GLU A 31 -15.174 3.269 -10.088 1.00 0.37 C ATOM 422 CG GLU A 31 -15.881 4.176 -11.085 1.00 0.42 C ATOM 423 CD GLU A 31 -16.046 5.606 -10.595 1.00 0.40 C ATOM 424 OE1 GLU A 31 -16.540 5.813 -9.466 1.00 0.39 O ATOM 425 OE2 GLU A 31 -15.720 6.546 -11.341 1.00 0.42 O ATOM 0 H GLU A 31 -17.110 1.961 -9.248 1.00 0.37 H new ATOM 0 HA GLU A 31 -15.346 1.629 -11.465 1.00 0.37 H new ATOM 0 HB2 GLU A 31 -15.543 3.485 -9.085 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -14.108 3.497 -10.091 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -15.319 4.183 -12.019 1.00 0.42 H new ATOM 0 HG3 GLU A 31 -16.864 3.761 -11.308 1.00 0.42 H new ATOM 432 N LEU A 32 -14.178 0.965 -8.435 1.00 0.35 N ATOM 433 CA LEU A 32 -13.158 0.219 -7.704 1.00 0.35 C ATOM 434 C LEU A 32 -13.259 -1.279 -8.016 1.00 0.36 C ATOM 435 O LEU A 32 -12.244 -1.974 -8.091 1.00 0.38 O ATOM 436 CB LEU A 32 -13.300 0.465 -6.196 1.00 0.35 C ATOM 437 CG LEU A 32 -12.495 1.649 -5.625 1.00 0.41 C ATOM 438 CD1 LEU A 32 -12.720 2.923 -6.430 1.00 0.50 C ATOM 439 CD2 LEU A 32 -12.862 1.875 -4.166 1.00 0.44 C ATOM 0 H LEU A 32 -14.824 1.484 -7.840 1.00 0.35 H new ATOM 0 HA LEU A 32 -12.176 0.569 -8.023 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -14.354 0.627 -5.972 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -12.998 -0.441 -5.670 1.00 0.35 H new ATOM 0 HG LEU A 32 -11.437 1.398 -5.695 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -12.136 3.735 -5.997 1.00 0.50 H new ATOM 0 HD12 LEU A 32 -12.407 2.761 -7.462 1.00 0.50 H new ATOM 0 HD13 LEU A 32 -13.778 3.185 -6.408 1.00 0.50 H new ATOM 0 HD21 LEU A 32 -12.288 2.714 -3.772 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -13.927 2.096 -4.089 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -12.635 0.978 -3.590 1.00 0.44 H new ATOM 451 N GLY A 33 -14.488 -1.756 -8.239 1.00 0.39 N ATOM 452 CA GLY A 33 -14.704 -3.154 -8.558 1.00 0.42 C ATOM 453 C GLY A 33 -13.940 -3.593 -9.793 1.00 0.46 C ATOM 454 O GLY A 33 -13.460 -4.723 -9.862 1.00 0.50 O ATOM 0 H GLY A 33 -15.337 -1.192 -8.203 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -14.401 -3.768 -7.710 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -15.769 -3.328 -8.713 1.00 0.42 H new ATOM 458 N THR A 34 -13.838 -2.694 -10.764 1.00 0.46 N ATOM 459 CA THR A 34 -13.119 -2.978 -12.001 1.00 0.52 C ATOM 460 C THR A 34 -11.644 -3.256 -11.729 1.00 0.53 C ATOM 461 O THR A 34 -11.050 -4.140 -12.341 1.00 0.56 O ATOM 462 CB THR A 34 -13.246 -1.813 -12.994 1.00 0.54 C ATOM 463 OG1 THR A 34 -14.514 -1.174 -12.827 1.00 0.58 O ATOM 464 CG2 THR A 34 -13.104 -2.304 -14.426 1.00 0.60 C ATOM 0 H THR A 34 -14.245 -1.760 -10.719 1.00 0.46 H new ATOM 0 HA THR A 34 -13.571 -3.868 -12.439 1.00 0.52 H new ATOM 0 HB THR A 34 -12.447 -1.100 -12.793 1.00 0.54 H new ATOM 0 HG1 THR A 34 -14.435 -0.459 -12.161 1.00 0.58 H new ATOM 0 HG21 THR A 34 -13.198 -1.461 -15.111 1.00 0.60 H new ATOM 0 HG22 THR A 34 -12.127 -2.770 -14.556 1.00 0.60 H new ATOM 0 HG23 THR A 34 -13.885 -3.033 -14.640 1.00 0.60 H new ATOM 472 N VAL A 35 -11.063 -2.508 -10.802 1.00 0.53 N ATOM 473 CA VAL A 35 -9.648 -2.678 -10.457 1.00 0.55 C ATOM 474 C VAL A 35 -9.431 -4.031 -9.794 1.00 0.57 C ATOM 475 O VAL A 35 -8.495 -4.754 -10.129 1.00 0.58 O ATOM 476 CB VAL A 35 -9.167 -1.549 -9.525 1.00 0.58 C ATOM 477 CG1 VAL A 35 -7.665 -1.637 -9.291 1.00 0.63 C ATOM 478 CG2 VAL A 35 -9.546 -0.189 -10.098 1.00 0.60 C ATOM 0 H VAL A 35 -11.542 -1.779 -10.274 1.00 0.53 H new ATOM 0 HA VAL A 35 -9.065 -2.632 -11.377 1.00 0.55 H new ATOM 0 HB VAL A 35 -9.663 -1.668 -8.562 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -7.352 -0.829 -8.630 1.00 0.63 H new ATOM 0 HG12 VAL A 35 -7.424 -2.596 -8.832 1.00 0.63 H new ATOM 0 HG13 VAL A 35 -7.143 -1.550 -10.244 1.00 0.63 H new ATOM 0 HG21 VAL A 35 -9.199 0.598 -9.428 1.00 0.60 H new ATOM 0 HG22 VAL A 35 -9.081 -0.064 -11.076 1.00 0.60 H new ATOM 0 HG23 VAL A 35 -10.629 -0.127 -10.201 1.00 0.60 H new ATOM 488 N MET A 36 -10.327 -4.374 -8.876 1.00 0.58 N ATOM 489 CA MET A 36 -10.261 -5.650 -8.156 1.00 0.62 C ATOM 490 C MET A 36 -10.432 -6.822 -9.117 1.00 0.62 C ATOM 491 O MET A 36 -10.053 -7.957 -8.822 1.00 0.67 O ATOM 492 CB MET A 36 -11.352 -5.707 -7.088 1.00 0.65 C ATOM 493 CG MET A 36 -10.883 -5.338 -5.692 1.00 0.82 C ATOM 494 SD MET A 36 -12.142 -5.665 -4.438 1.00 0.92 S ATOM 495 CE MET A 36 -13.380 -4.448 -4.879 1.00 1.07 C ATOM 0 H MET A 36 -11.115 -3.785 -8.608 1.00 0.58 H new ATOM 0 HA MET A 36 -9.282 -5.722 -7.682 1.00 0.62 H new ATOM 0 HB2 MET A 36 -12.161 -5.035 -7.376 1.00 0.65 H new ATOM 0 HB3 MET A 36 -11.768 -6.714 -7.064 1.00 0.65 H new ATOM 0 HG2 MET A 36 -9.981 -5.901 -5.453 1.00 0.82 H new ATOM 0 HG3 MET A 36 -10.615 -4.282 -5.668 1.00 0.82 H new ATOM 0 HE1 MET A 36 -14.138 -4.400 -4.097 1.00 1.07 H new ATOM 0 HE2 MET A 36 -12.908 -3.471 -4.987 1.00 1.07 H new ATOM 0 HE3 MET A 36 -13.848 -4.731 -5.822 1.00 1.07 H new ATOM 505 N ARG A 37 -10.981 -6.527 -10.288 1.00 0.60 N ATOM 506 CA ARG A 37 -11.218 -7.531 -11.305 1.00 0.63 C ATOM 507 C ARG A 37 -9.966 -7.726 -12.151 1.00 0.65 C ATOM 508 O ARG A 37 -9.574 -8.854 -12.455 1.00 0.68 O ATOM 509 CB ARG A 37 -12.403 -7.110 -12.185 1.00 0.64 C ATOM 510 CG ARG A 37 -12.598 -7.969 -13.424 1.00 0.72 C ATOM 511 CD ARG A 37 -12.984 -7.117 -14.619 1.00 0.83 C ATOM 512 NE ARG A 37 -11.895 -6.238 -15.049 1.00 0.86 N ATOM 513 CZ ARG A 37 -11.684 -5.891 -16.316 1.00 1.25 C ATOM 514 NH1 ARG A 37 -12.487 -6.344 -17.273 1.00 1.82 N ATOM 515 NH2 ARG A 37 -10.675 -5.091 -16.622 1.00 1.32 N ATOM 0 H ARG A 37 -11.272 -5.587 -10.555 1.00 0.60 H new ATOM 0 HA ARG A 37 -11.459 -8.479 -10.823 1.00 0.63 H new ATOM 0 HB2 ARG A 37 -13.314 -7.143 -11.587 1.00 0.64 H new ATOM 0 HB3 ARG A 37 -12.261 -6.074 -12.494 1.00 0.64 H new ATOM 0 HG2 ARG A 37 -11.679 -8.513 -13.642 1.00 0.72 H new ATOM 0 HG3 ARG A 37 -13.373 -8.713 -13.237 1.00 0.72 H new ATOM 0 HD2 ARG A 37 -13.273 -7.765 -15.446 1.00 0.83 H new ATOM 0 HD3 ARG A 37 -13.856 -6.514 -14.366 1.00 0.83 H new ATOM 0 HE ARG A 37 -11.263 -5.871 -14.338 1.00 0.86 H new ATOM 0 HH11 ARG A 37 -13.266 -6.958 -17.037 1.00 1.82 H new ATOM 0 HH12 ARG A 37 -12.324 -6.077 -18.244 1.00 1.82 H new ATOM 0 HH21 ARG A 37 -10.060 -4.741 -15.887 1.00 1.32 H new ATOM 0 HH22 ARG A 37 -10.512 -4.824 -17.593 1.00 1.32 H new ATOM 529 N SER A 38 -9.320 -6.619 -12.496 1.00 0.64 N ATOM 530 CA SER A 38 -8.108 -6.649 -13.306 1.00 0.68 C ATOM 531 C SER A 38 -6.915 -7.176 -12.506 1.00 0.66 C ATOM 532 O SER A 38 -5.839 -7.423 -13.060 1.00 0.69 O ATOM 533 CB SER A 38 -7.819 -5.252 -13.849 1.00 0.70 C ATOM 534 OG SER A 38 -9.009 -4.645 -14.336 1.00 0.80 O ATOM 0 H SER A 38 -9.618 -5.682 -12.225 1.00 0.64 H new ATOM 0 HA SER A 38 -8.267 -7.332 -14.141 1.00 0.68 H new ATOM 0 HB2 SER A 38 -7.385 -4.634 -13.063 1.00 0.70 H new ATOM 0 HB3 SER A 38 -7.082 -5.313 -14.650 1.00 0.70 H new ATOM 0 HG SER A 38 -9.569 -4.370 -13.580 1.00 0.80 H new ATOM 540 N LEU A 39 -7.108 -7.346 -11.201 1.00 0.66 N ATOM 541 CA LEU A 39 -6.061 -7.871 -10.339 1.00 0.67 C ATOM 542 C LEU A 39 -6.113 -9.401 -10.325 1.00 0.73 C ATOM 543 O LEU A 39 -5.276 -10.058 -9.712 1.00 0.86 O ATOM 544 CB LEU A 39 -6.199 -7.312 -8.918 1.00 0.62 C ATOM 545 CG LEU A 39 -5.831 -5.830 -8.758 1.00 0.58 C ATOM 546 CD1 LEU A 39 -6.073 -5.360 -7.332 1.00 0.60 C ATOM 547 CD2 LEU A 39 -4.382 -5.577 -9.153 1.00 0.57 C ATOM 0 H LEU A 39 -7.981 -7.127 -10.720 1.00 0.66 H new ATOM 0 HA LEU A 39 -5.094 -7.557 -10.732 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -7.229 -7.451 -8.589 1.00 0.62 H new ATOM 0 HB3 LEU A 39 -5.569 -7.900 -8.251 1.00 0.62 H new ATOM 0 HG LEU A 39 -6.475 -5.259 -9.427 1.00 0.58 H new ATOM 0 HD11 LEU A 39 -5.804 -4.307 -7.245 1.00 0.60 H new ATOM 0 HD12 LEU A 39 -7.126 -5.488 -7.080 1.00 0.60 H new ATOM 0 HD13 LEU A 39 -5.462 -5.948 -6.647 1.00 0.60 H new ATOM 0 HD21 LEU A 39 -4.151 -4.519 -9.029 1.00 0.57 H new ATOM 0 HD22 LEU A 39 -3.723 -6.169 -8.518 1.00 0.57 H new ATOM 0 HD23 LEU A 39 -4.234 -5.861 -10.195 1.00 0.57 H new ATOM 559 N GLY A 40 -7.106 -9.961 -11.009 1.00 0.74 N ATOM 560 CA GLY A 40 -7.244 -11.404 -11.077 1.00 0.82 C ATOM 561 C GLY A 40 -8.134 -11.961 -9.988 1.00 0.79 C ATOM 562 O GLY A 40 -7.934 -13.081 -9.524 1.00 0.89 O ATOM 0 H GLY A 40 -7.819 -9.439 -11.519 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -7.652 -11.680 -12.049 1.00 0.82 H new ATOM 0 HA3 GLY A 40 -6.258 -11.862 -11.003 1.00 0.82 H new ATOM 566 N GLN A 41 -9.121 -11.181 -9.575 1.00 0.80 N ATOM 567 CA GLN A 41 -10.040 -11.606 -8.533 1.00 0.79 C ATOM 568 C GLN A 41 -11.473 -11.318 -8.948 1.00 0.77 C ATOM 569 O GLN A 41 -11.727 -10.428 -9.763 1.00 0.92 O ATOM 570 CB GLN A 41 -9.729 -10.893 -7.216 1.00 0.82 C ATOM 571 CG GLN A 41 -8.338 -11.178 -6.677 1.00 0.93 C ATOM 572 CD GLN A 41 -8.033 -10.398 -5.415 1.00 1.02 C ATOM 573 OE1 GLN A 41 -8.292 -10.860 -4.307 1.00 1.25 O ATOM 574 NE2 GLN A 41 -7.479 -9.205 -5.578 1.00 1.23 N ATOM 0 H GLN A 41 -9.305 -10.249 -9.947 1.00 0.80 H new ATOM 0 HA GLN A 41 -9.919 -12.679 -8.387 1.00 0.79 H new ATOM 0 HB2 GLN A 41 -9.839 -9.818 -7.361 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -10.466 -11.191 -6.470 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -8.243 -12.244 -6.473 1.00 0.93 H new ATOM 0 HG3 GLN A 41 -7.599 -10.932 -7.440 1.00 0.93 H new ATOM 0 HE21 GLN A 41 -7.280 -8.859 -6.517 1.00 1.23 H new ATOM 0 HE22 GLN A 41 -7.251 -8.633 -4.765 1.00 1.23 H new ATOM 583 N ASN A 42 -12.405 -12.085 -8.407 1.00 0.69 N ATOM 584 CA ASN A 42 -13.809 -11.893 -8.719 1.00 0.69 C ATOM 585 C ASN A 42 -14.615 -11.694 -7.444 1.00 0.65 C ATOM 586 O ASN A 42 -15.026 -12.660 -6.797 1.00 0.74 O ATOM 587 CB ASN A 42 -14.364 -13.074 -9.513 1.00 0.76 C ATOM 588 CG ASN A 42 -15.792 -12.843 -9.972 1.00 1.02 C ATOM 589 OD1 ASN A 42 -16.745 -13.150 -9.257 1.00 1.37 O ATOM 590 ND2 ASN A 42 -15.953 -12.311 -11.175 1.00 1.33 N ATOM 0 H ASN A 42 -12.215 -12.843 -7.752 1.00 0.69 H new ATOM 0 HA ASN A 42 -13.895 -10.998 -9.335 1.00 0.69 H new ATOM 0 HB2 ASN A 42 -13.731 -13.254 -10.382 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -14.324 -13.973 -8.898 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -16.892 -12.143 -11.537 1.00 1.33 H new ATOM 0 HD22 ASN A 42 -15.138 -12.069 -11.739 1.00 1.33 H new ATOM 597 N PRO A 43 -14.796 -10.436 -7.035 1.00 0.60 N ATOM 598 CA PRO A 43 -15.557 -10.086 -5.855 1.00 0.61 C ATOM 599 C PRO A 43 -17.021 -9.834 -6.198 1.00 0.56 C ATOM 600 O PRO A 43 -17.336 -9.120 -7.153 1.00 0.55 O ATOM 601 CB PRO A 43 -14.876 -8.801 -5.375 1.00 0.65 C ATOM 602 CG PRO A 43 -14.107 -8.261 -6.546 1.00 0.74 C ATOM 603 CD PRO A 43 -14.269 -9.233 -7.688 1.00 0.66 C ATOM 0 HA PRO A 43 -15.568 -10.875 -5.103 1.00 0.61 H new ATOM 0 HB2 PRO A 43 -15.614 -8.077 -5.029 1.00 0.65 H new ATOM 0 HB3 PRO A 43 -14.211 -9.005 -4.536 1.00 0.65 H new ATOM 0 HG2 PRO A 43 -14.479 -7.276 -6.827 1.00 0.74 H new ATOM 0 HG3 PRO A 43 -13.054 -8.143 -6.291 1.00 0.74 H new ATOM 0 HD2 PRO A 43 -14.955 -8.853 -8.445 1.00 0.66 H new ATOM 0 HD3 PRO A 43 -13.320 -9.429 -8.187 1.00 0.66 H new ATOM 611 N THR A 44 -17.914 -10.427 -5.437 1.00 0.58 N ATOM 612 CA THR A 44 -19.334 -10.259 -5.683 1.00 0.58 C ATOM 613 C THR A 44 -19.877 -9.055 -4.913 1.00 0.52 C ATOM 614 O THR A 44 -19.121 -8.342 -4.252 1.00 0.49 O ATOM 615 CB THR A 44 -20.124 -11.535 -5.320 1.00 0.67 C ATOM 616 OG1 THR A 44 -19.915 -11.878 -3.944 1.00 0.91 O ATOM 617 CG2 THR A 44 -19.707 -12.703 -6.203 1.00 1.04 C ATOM 0 H THR A 44 -17.686 -11.028 -4.645 1.00 0.58 H new ATOM 0 HA THR A 44 -19.465 -10.077 -6.750 1.00 0.58 H new ATOM 0 HB THR A 44 -21.182 -11.330 -5.485 1.00 0.67 H new ATOM 0 HG1 THR A 44 -19.001 -12.211 -3.825 1.00 0.91 H new ATOM 0 HG21 THR A 44 -20.278 -13.590 -5.927 1.00 1.04 H new ATOM 0 HG22 THR A 44 -19.901 -12.457 -7.247 1.00 1.04 H new ATOM 0 HG23 THR A 44 -18.643 -12.900 -6.068 1.00 1.04 H new ATOM 625 N GLU A 45 -21.189 -8.853 -5.003 1.00 0.53 N ATOM 626 CA GLU A 45 -21.885 -7.744 -4.353 1.00 0.54 C ATOM 627 C GLU A 45 -21.471 -7.548 -2.887 1.00 0.50 C ATOM 628 O GLU A 45 -21.206 -6.421 -2.460 1.00 0.54 O ATOM 629 CB GLU A 45 -23.397 -7.989 -4.443 1.00 0.62 C ATOM 630 CG GLU A 45 -24.254 -6.874 -3.868 1.00 0.97 C ATOM 631 CD GLU A 45 -25.081 -7.335 -2.687 1.00 1.50 C ATOM 632 OE1 GLU A 45 -26.105 -8.011 -2.906 1.00 2.18 O ATOM 633 OE2 GLU A 45 -24.709 -7.027 -1.535 1.00 1.89 O ATOM 0 H GLU A 45 -21.808 -9.463 -5.537 1.00 0.53 H new ATOM 0 HA GLU A 45 -21.607 -6.828 -4.875 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -23.667 -8.134 -5.489 1.00 0.62 H new ATOM 0 HB3 GLU A 45 -23.633 -8.917 -3.922 1.00 0.62 H new ATOM 0 HG2 GLU A 45 -23.613 -6.048 -3.559 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -24.916 -6.490 -4.644 1.00 0.97 H new ATOM 640 N ALA A 46 -21.387 -8.637 -2.142 1.00 0.51 N ATOM 641 CA ALA A 46 -21.028 -8.567 -0.725 1.00 0.54 C ATOM 642 C ALA A 46 -19.573 -8.154 -0.525 1.00 0.50 C ATOM 643 O ALA A 46 -19.263 -7.391 0.393 1.00 0.51 O ATOM 644 CB ALA A 46 -21.312 -9.896 -0.051 1.00 0.63 C ATOM 0 H ALA A 46 -21.561 -9.581 -2.488 1.00 0.51 H new ATOM 0 HA ALA A 46 -21.643 -7.796 -0.261 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -21.042 -9.834 1.003 1.00 0.63 H new ATOM 0 HB2 ALA A 46 -22.373 -10.130 -0.141 1.00 0.63 H new ATOM 0 HB3 ALA A 46 -20.726 -10.680 -0.531 1.00 0.63 H new ATOM 650 N GLU A 47 -18.686 -8.643 -1.386 1.00 0.49 N ATOM 651 CA GLU A 47 -17.267 -8.312 -1.281 1.00 0.51 C ATOM 652 C GLU A 47 -17.041 -6.854 -1.684 1.00 0.49 C ATOM 653 O GLU A 47 -16.285 -6.130 -1.036 1.00 0.51 O ATOM 654 CB GLU A 47 -16.411 -9.230 -2.158 1.00 0.56 C ATOM 655 CG GLU A 47 -16.195 -10.619 -1.585 1.00 0.73 C ATOM 656 CD GLU A 47 -17.258 -11.610 -2.020 1.00 0.95 C ATOM 657 OE1 GLU A 47 -17.387 -11.859 -3.241 1.00 1.28 O ATOM 658 OE2 GLU A 47 -17.975 -12.140 -1.148 1.00 1.57 O ATOM 0 H GLU A 47 -18.921 -9.265 -2.159 1.00 0.49 H new ATOM 0 HA GLU A 47 -16.965 -8.457 -0.244 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -16.883 -9.323 -3.136 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -15.440 -8.760 -2.316 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -15.216 -10.985 -1.894 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -16.185 -10.560 -0.497 1.00 0.73 H new ATOM 665 N LEU A 48 -17.729 -6.430 -2.744 1.00 0.47 N ATOM 666 CA LEU A 48 -17.609 -5.062 -3.249 1.00 0.50 C ATOM 667 C LEU A 48 -18.082 -4.034 -2.226 1.00 0.48 C ATOM 668 O LEU A 48 -17.646 -2.886 -2.252 1.00 0.53 O ATOM 669 CB LEU A 48 -18.421 -4.886 -4.534 1.00 0.53 C ATOM 670 CG LEU A 48 -17.975 -5.736 -5.720 1.00 0.57 C ATOM 671 CD1 LEU A 48 -19.089 -5.829 -6.751 1.00 0.64 C ATOM 672 CD2 LEU A 48 -16.719 -5.147 -6.341 1.00 0.62 C ATOM 0 H LEU A 48 -18.377 -7.016 -3.271 1.00 0.47 H new ATOM 0 HA LEU A 48 -16.551 -4.895 -3.451 1.00 0.50 H new ATOM 0 HB2 LEU A 48 -19.464 -5.116 -4.317 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -18.380 -3.837 -4.827 1.00 0.53 H new ATOM 0 HG LEU A 48 -17.749 -6.742 -5.368 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -18.757 -6.438 -7.592 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -19.968 -6.286 -6.297 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -19.342 -4.829 -7.105 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -16.409 -5.761 -7.187 1.00 0.62 H new ATOM 0 HD22 LEU A 48 -16.924 -4.133 -6.685 1.00 0.62 H new ATOM 0 HD23 LEU A 48 -15.922 -5.124 -5.598 1.00 0.62 H new ATOM 684 N GLN A 49 -18.965 -4.445 -1.330 1.00 0.48 N ATOM 685 CA GLN A 49 -19.485 -3.543 -0.315 1.00 0.50 C ATOM 686 C GLN A 49 -18.601 -3.593 0.915 1.00 0.49 C ATOM 687 O GLN A 49 -18.347 -2.576 1.544 1.00 0.49 O ATOM 688 CB GLN A 49 -20.914 -3.919 0.059 1.00 0.57 C ATOM 689 CG GLN A 49 -21.706 -2.762 0.646 1.00 0.73 C ATOM 690 CD GLN A 49 -21.886 -1.632 -0.347 1.00 0.98 C ATOM 691 OE1 GLN A 49 -21.104 -0.681 -0.384 1.00 1.18 O ATOM 692 NE2 GLN A 49 -22.910 -1.738 -1.178 1.00 1.26 N ATOM 0 H GLN A 49 -19.336 -5.394 -1.285 1.00 0.48 H new ATOM 0 HA GLN A 49 -19.489 -2.531 -0.719 1.00 0.50 H new ATOM 0 HB2 GLN A 49 -21.429 -4.290 -0.827 1.00 0.57 H new ATOM 0 HB3 GLN A 49 -20.891 -4.737 0.779 1.00 0.57 H new ATOM 0 HG2 GLN A 49 -22.684 -3.120 0.969 1.00 0.73 H new ATOM 0 HG3 GLN A 49 -21.195 -2.387 1.533 1.00 0.73 H new ATOM 0 HE21 GLN A 49 -23.536 -2.541 -1.116 1.00 1.26 H new ATOM 0 HE22 GLN A 49 -23.073 -1.017 -1.880 1.00 1.26 H new ATOM 701 N ASP A 50 -18.145 -4.795 1.231 1.00 0.50 N ATOM 702 CA ASP A 50 -17.270 -5.018 2.374 1.00 0.53 C ATOM 703 C ASP A 50 -16.035 -4.150 2.241 1.00 0.50 C ATOM 704 O ASP A 50 -15.578 -3.549 3.211 1.00 0.53 O ATOM 705 CB ASP A 50 -16.860 -6.481 2.446 1.00 0.58 C ATOM 706 CG ASP A 50 -16.982 -7.040 3.844 1.00 0.81 C ATOM 707 OD1 ASP A 50 -16.024 -6.913 4.631 1.00 0.90 O ATOM 708 OD2 ASP A 50 -18.040 -7.621 4.162 1.00 1.38 O ATOM 0 H ASP A 50 -18.369 -5.640 0.706 1.00 0.50 H new ATOM 0 HA ASP A 50 -17.805 -4.757 3.287 1.00 0.53 H new ATOM 0 HB2 ASP A 50 -17.482 -7.065 1.768 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -15.830 -6.585 2.103 1.00 0.58 H new ATOM 713 N MET A 51 -15.506 -4.096 1.025 1.00 0.47 N ATOM 714 CA MET A 51 -14.333 -3.290 0.728 1.00 0.47 C ATOM 715 C MET A 51 -14.579 -1.828 1.065 1.00 0.44 C ATOM 716 O MET A 51 -13.745 -1.178 1.702 1.00 0.46 O ATOM 717 CB MET A 51 -13.979 -3.416 -0.748 1.00 0.49 C ATOM 718 CG MET A 51 -13.052 -4.574 -1.058 1.00 0.54 C ATOM 719 SD MET A 51 -11.411 -4.356 -0.348 1.00 0.88 S ATOM 720 CE MET A 51 -10.507 -5.618 -1.244 1.00 1.38 C ATOM 0 H MET A 51 -15.876 -4.607 0.223 1.00 0.47 H new ATOM 0 HA MET A 51 -13.506 -3.654 1.338 1.00 0.47 H new ATOM 0 HB2 MET A 51 -14.897 -3.534 -1.323 1.00 0.49 H new ATOM 0 HB3 MET A 51 -13.511 -2.489 -1.080 1.00 0.49 H new ATOM 0 HG2 MET A 51 -13.489 -5.497 -0.677 1.00 0.54 H new ATOM 0 HG3 MET A 51 -12.964 -4.685 -2.139 1.00 0.54 H new ATOM 0 HE1 MET A 51 -9.613 -5.892 -0.684 1.00 1.38 H new ATOM 0 HE2 MET A 51 -11.139 -6.497 -1.372 1.00 1.38 H new ATOM 0 HE3 MET A 51 -10.218 -5.233 -2.222 1.00 1.38 H new ATOM 730 N ILE A 52 -15.722 -1.327 0.624 1.00 0.42 N ATOM 731 CA ILE A 52 -16.102 0.056 0.861 1.00 0.43 C ATOM 732 C ILE A 52 -16.418 0.287 2.332 1.00 0.46 C ATOM 733 O ILE A 52 -16.042 1.312 2.895 1.00 0.46 O ATOM 734 CB ILE A 52 -17.320 0.460 0.006 1.00 0.43 C ATOM 735 CG1 ILE A 52 -17.115 0.067 -1.463 1.00 0.43 C ATOM 736 CG2 ILE A 52 -17.577 1.954 0.123 1.00 0.48 C ATOM 737 CD1 ILE A 52 -15.927 0.731 -2.123 1.00 0.48 C ATOM 0 H ILE A 52 -16.409 -1.864 0.095 1.00 0.42 H new ATOM 0 HA ILE A 52 -15.253 0.676 0.574 1.00 0.43 H new ATOM 0 HB ILE A 52 -18.191 -0.076 0.382 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -16.993 -1.014 -1.524 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -18.015 0.318 -2.024 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -18.440 2.224 -0.486 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -17.774 2.209 1.164 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -16.702 2.502 -0.225 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -15.854 0.399 -3.159 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -16.054 1.813 -2.097 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -15.016 0.460 -1.590 1.00 0.48 H new ATOM 749 N ASN A 53 -17.100 -0.681 2.957 1.00 0.52 N ATOM 750 CA ASN A 53 -17.484 -0.580 4.372 1.00 0.59 C ATOM 751 C ASN A 53 -16.266 -0.379 5.267 1.00 0.61 C ATOM 752 O ASN A 53 -16.352 0.279 6.296 1.00 0.66 O ATOM 753 CB ASN A 53 -18.259 -1.823 4.819 1.00 0.68 C ATOM 754 CG ASN A 53 -18.856 -1.660 6.209 1.00 1.02 C ATOM 755 OD1 ASN A 53 -19.706 -0.799 6.438 1.00 1.29 O ATOM 756 ND2 ASN A 53 -18.429 -2.496 7.144 1.00 1.40 N ATOM 0 H ASN A 53 -17.398 -1.545 2.504 1.00 0.52 H new ATOM 0 HA ASN A 53 -18.130 0.293 4.470 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -19.057 -2.028 4.105 1.00 0.68 H new ATOM 0 HB3 ASN A 53 -17.594 -2.686 4.810 1.00 0.68 H new ATOM 0 HD21 ASN A 53 -18.806 -2.439 8.090 1.00 1.40 H new ATOM 0 HD22 ASN A 53 -17.723 -3.197 6.918 1.00 1.40 H new ATOM 763 N GLU A 54 -15.134 -0.949 4.868 1.00 0.61 N ATOM 764 CA GLU A 54 -13.896 -0.816 5.629 1.00 0.66 C ATOM 765 C GLU A 54 -13.414 0.643 5.672 1.00 0.61 C ATOM 766 O GLU A 54 -12.595 1.007 6.521 1.00 0.71 O ATOM 767 CB GLU A 54 -12.810 -1.703 5.018 1.00 0.73 C ATOM 768 CG GLU A 54 -13.049 -3.192 5.211 1.00 1.31 C ATOM 769 CD GLU A 54 -13.163 -3.586 6.674 1.00 2.20 C ATOM 770 OE1 GLU A 54 -12.257 -3.239 7.460 1.00 2.70 O ATOM 771 OE2 GLU A 54 -14.150 -4.264 7.037 1.00 2.84 O ATOM 0 H GLU A 54 -15.048 -1.509 4.020 1.00 0.61 H new ATOM 0 HA GLU A 54 -14.097 -1.135 6.652 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -12.740 -1.492 3.951 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -11.849 -1.439 5.459 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -13.962 -3.479 4.690 1.00 1.31 H new ATOM 0 HG3 GLU A 54 -12.232 -3.749 4.752 1.00 1.31 H new ATOM 778 N VAL A 55 -13.918 1.459 4.751 1.00 0.51 N ATOM 779 CA VAL A 55 -13.551 2.872 4.675 1.00 0.47 C ATOM 780 C VAL A 55 -14.731 3.748 5.083 1.00 0.44 C ATOM 781 O VAL A 55 -14.562 4.805 5.694 1.00 0.51 O ATOM 782 CB VAL A 55 -13.123 3.274 3.240 1.00 0.49 C ATOM 783 CG1 VAL A 55 -12.733 4.746 3.185 1.00 0.82 C ATOM 784 CG2 VAL A 55 -11.987 2.400 2.729 1.00 0.59 C ATOM 0 H VAL A 55 -14.588 1.164 4.040 1.00 0.51 H new ATOM 0 HA VAL A 55 -12.712 3.021 5.354 1.00 0.47 H new ATOM 0 HB VAL A 55 -13.981 3.118 2.586 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -12.436 5.006 2.169 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -13.584 5.359 3.483 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -11.900 4.927 3.864 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -11.714 2.711 1.721 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -11.124 2.503 3.387 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -12.308 1.359 2.713 1.00 0.59 H new ATOM 794 N ASP A 56 -15.925 3.288 4.736 1.00 0.48 N ATOM 795 CA ASP A 56 -17.156 4.006 5.021 1.00 0.47 C ATOM 796 C ASP A 56 -17.425 4.060 6.518 1.00 0.50 C ATOM 797 O ASP A 56 -17.449 3.033 7.197 1.00 0.55 O ATOM 798 CB ASP A 56 -18.326 3.336 4.301 1.00 0.48 C ATOM 799 CG ASP A 56 -19.459 4.299 4.010 1.00 0.47 C ATOM 800 OD1 ASP A 56 -19.415 4.983 2.962 1.00 0.48 O ATOM 801 OD2 ASP A 56 -20.413 4.366 4.802 1.00 0.53 O ATOM 0 H ASP A 56 -16.066 2.404 4.248 1.00 0.48 H new ATOM 0 HA ASP A 56 -17.047 5.029 4.660 1.00 0.47 H new ATOM 0 HB2 ASP A 56 -17.972 2.903 3.365 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -18.700 2.514 4.911 1.00 0.48 H new ATOM 806 N ALA A 57 -17.621 5.264 7.021 1.00 0.55 N ATOM 807 CA ALA A 57 -17.887 5.470 8.427 1.00 0.60 C ATOM 808 C ALA A 57 -19.189 6.236 8.614 1.00 0.62 C ATOM 809 O ALA A 57 -19.804 6.197 9.677 1.00 0.67 O ATOM 810 CB ALA A 57 -16.729 6.213 9.083 1.00 0.68 C ATOM 0 H ALA A 57 -17.600 6.121 6.468 1.00 0.55 H new ATOM 0 HA ALA A 57 -17.988 4.497 8.908 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -16.944 6.361 10.141 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -15.815 5.629 8.977 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -16.599 7.182 8.601 1.00 0.68 H new ATOM 816 N ASP A 58 -19.609 6.927 7.562 1.00 0.60 N ATOM 817 CA ASP A 58 -20.836 7.710 7.600 1.00 0.65 C ATOM 818 C ASP A 58 -22.068 6.822 7.408 1.00 0.66 C ATOM 819 O ASP A 58 -23.191 7.232 7.711 1.00 0.73 O ATOM 820 CB ASP A 58 -20.787 8.829 6.544 1.00 0.66 C ATOM 821 CG ASP A 58 -21.390 8.446 5.202 1.00 0.64 C ATOM 822 OD1 ASP A 58 -20.706 7.779 4.398 1.00 0.61 O ATOM 823 OD2 ASP A 58 -22.539 8.848 4.927 1.00 0.74 O ATOM 0 H ASP A 58 -19.116 6.961 6.670 1.00 0.60 H new ATOM 0 HA ASP A 58 -20.918 8.170 8.585 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -21.314 9.701 6.931 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -19.749 9.125 6.392 1.00 0.66 H new ATOM 828 N GLY A 59 -21.856 5.607 6.914 1.00 0.62 N ATOM 829 CA GLY A 59 -22.960 4.682 6.716 1.00 0.64 C ATOM 830 C GLY A 59 -23.725 4.966 5.442 1.00 0.67 C ATOM 831 O GLY A 59 -24.945 5.142 5.462 1.00 0.90 O ATOM 0 H GLY A 59 -20.941 5.245 6.647 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -22.576 3.662 6.687 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -23.639 4.743 7.566 1.00 0.64 H new ATOM 835 N ASN A 60 -23.008 5.023 4.335 1.00 0.57 N ATOM 836 CA ASN A 60 -23.616 5.287 3.043 1.00 0.58 C ATOM 837 C ASN A 60 -23.141 4.263 2.014 1.00 0.55 C ATOM 838 O ASN A 60 -23.856 3.951 1.058 1.00 0.60 O ATOM 839 CB ASN A 60 -23.310 6.728 2.600 1.00 0.59 C ATOM 840 CG ASN A 60 -22.357 6.824 1.418 1.00 0.55 C ATOM 841 OD1 ASN A 60 -21.133 6.873 1.584 1.00 0.52 O ATOM 842 ND2 ASN A 60 -22.912 6.869 0.219 1.00 0.58 N ATOM 0 H ASN A 60 -21.997 4.889 4.305 1.00 0.57 H new ATOM 0 HA ASN A 60 -24.698 5.188 3.127 1.00 0.58 H new ATOM 0 HB2 ASN A 60 -24.245 7.223 2.340 1.00 0.59 H new ATOM 0 HB3 ASN A 60 -22.884 7.273 3.442 1.00 0.59 H new ATOM 0 HD21 ASN A 60 -22.325 6.947 -0.612 1.00 0.58 H new ATOM 0 HD22 ASN A 60 -23.927 6.826 0.125 1.00 0.58 H new ATOM 849 N GLY A 61 -21.943 3.737 2.228 1.00 0.51 N ATOM 850 CA GLY A 61 -21.386 2.742 1.331 1.00 0.51 C ATOM 851 C GLY A 61 -20.740 3.355 0.105 1.00 0.49 C ATOM 852 O GLY A 61 -21.054 2.977 -1.022 1.00 0.52 O ATOM 0 H GLY A 61 -21.342 3.984 3.014 1.00 0.51 H new ATOM 0 HA2 GLY A 61 -20.646 2.149 1.868 1.00 0.51 H new ATOM 0 HA3 GLY A 61 -22.176 2.059 1.017 1.00 0.51 H new ATOM 856 N THR A 62 -19.840 4.307 0.323 1.00 0.46 N ATOM 857 CA THR A 62 -19.140 4.984 -0.766 1.00 0.45 C ATOM 858 C THR A 62 -17.905 5.724 -0.239 1.00 0.42 C ATOM 859 O THR A 62 -17.990 6.402 0.791 1.00 0.45 O ATOM 860 CB THR A 62 -20.068 6.010 -1.467 1.00 0.50 C ATOM 861 OG1 THR A 62 -21.138 5.344 -2.150 1.00 0.57 O ATOM 862 CG2 THR A 62 -19.297 6.868 -2.454 1.00 0.57 C ATOM 0 H THR A 62 -19.575 4.631 1.253 1.00 0.46 H new ATOM 0 HA THR A 62 -18.835 4.220 -1.481 1.00 0.45 H new ATOM 0 HB THR A 62 -20.482 6.655 -0.692 1.00 0.50 H new ATOM 0 HG1 THR A 62 -21.007 4.374 -2.096 1.00 0.57 H new ATOM 0 HG21 THR A 62 -19.976 7.577 -2.928 1.00 0.57 H new ATOM 0 HG22 THR A 62 -18.513 7.413 -1.928 1.00 0.57 H new ATOM 0 HG23 THR A 62 -18.847 6.231 -3.216 1.00 0.57 H new ATOM 870 N ILE A 63 -16.762 5.582 -0.933 1.00 0.40 N ATOM 871 CA ILE A 63 -15.540 6.281 -0.535 1.00 0.37 C ATOM 872 C ILE A 63 -15.662 7.754 -0.931 1.00 0.40 C ATOM 873 O ILE A 63 -15.235 8.158 -2.016 1.00 0.44 O ATOM 874 CB ILE A 63 -14.238 5.689 -1.169 1.00 0.36 C ATOM 875 CG1 ILE A 63 -14.232 4.155 -1.087 1.00 0.39 C ATOM 876 CG2 ILE A 63 -13.001 6.291 -0.514 1.00 0.43 C ATOM 877 CD1 ILE A 63 -13.033 3.549 -0.393 1.00 0.46 C ATOM 0 H ILE A 63 -16.665 4.995 -1.762 1.00 0.40 H new ATOM 0 HA ILE A 63 -15.445 6.158 0.544 1.00 0.37 H new ATOM 0 HB ILE A 63 -14.218 5.957 -2.225 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -15.134 3.832 -0.567 1.00 0.39 H new ATOM 0 HG13 ILE A 63 -14.287 3.753 -2.099 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -12.106 5.867 -0.968 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -13.003 7.372 -0.657 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -13.008 6.066 0.552 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -13.126 2.463 -0.388 1.00 0.46 H new ATOM 0 HD12 ILE A 63 -12.124 3.833 -0.923 1.00 0.46 H new ATOM 0 HD13 ILE A 63 -12.984 3.913 0.633 1.00 0.46 H new ATOM 889 N ASP A 64 -16.297 8.538 -0.067 1.00 0.41 N ATOM 890 CA ASP A 64 -16.488 9.961 -0.316 1.00 0.45 C ATOM 891 C ASP A 64 -15.245 10.740 0.107 1.00 0.45 C ATOM 892 O ASP A 64 -14.301 10.163 0.640 1.00 0.42 O ATOM 893 CB ASP A 64 -17.736 10.490 0.409 1.00 0.49 C ATOM 894 CG ASP A 64 -17.819 10.065 1.866 1.00 0.49 C ATOM 895 OD1 ASP A 64 -16.983 10.517 2.671 1.00 0.49 O ATOM 896 OD2 ASP A 64 -18.738 9.275 2.207 1.00 0.52 O ATOM 0 H ASP A 64 -16.689 8.210 0.815 1.00 0.41 H new ATOM 0 HA ASP A 64 -16.643 10.103 -1.386 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -17.743 11.579 0.356 1.00 0.49 H new ATOM 0 HB3 ASP A 64 -18.626 10.140 -0.114 1.00 0.49 H new ATOM 901 N PHE A 65 -15.247 12.046 -0.138 1.00 0.51 N ATOM 902 CA PHE A 65 -14.104 12.898 0.187 1.00 0.54 C ATOM 903 C PHE A 65 -13.850 12.993 1.698 1.00 0.54 C ATOM 904 O PHE A 65 -12.714 12.791 2.124 1.00 0.54 O ATOM 905 CB PHE A 65 -14.282 14.296 -0.409 1.00 0.61 C ATOM 906 CG PHE A 65 -13.014 14.885 -0.961 1.00 0.74 C ATOM 907 CD1 PHE A 65 -12.121 15.540 -0.129 1.00 0.97 C ATOM 908 CD2 PHE A 65 -12.719 14.788 -2.313 1.00 0.83 C ATOM 909 CE1 PHE A 65 -10.957 16.092 -0.633 1.00 1.15 C ATOM 910 CE2 PHE A 65 -11.555 15.338 -2.823 1.00 1.04 C ATOM 911 CZ PHE A 65 -10.672 15.990 -1.981 1.00 1.15 C ATOM 0 H PHE A 65 -16.031 12.542 -0.563 1.00 0.51 H new ATOM 0 HA PHE A 65 -13.227 12.428 -0.259 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -15.027 14.250 -1.204 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -14.676 14.961 0.359 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -12.336 15.621 0.926 1.00 0.97 H new ATOM 0 HD2 PHE A 65 -13.404 14.278 -2.974 1.00 0.83 H new ATOM 0 HE1 PHE A 65 -10.271 16.602 0.027 1.00 1.15 H new ATOM 0 HE2 PHE A 65 -11.337 15.258 -3.878 1.00 1.04 H new ATOM 0 HZ PHE A 65 -9.763 16.418 -2.376 1.00 1.15 H new ATOM 921 N PRO A 66 -14.869 13.316 2.532 1.00 0.55 N ATOM 922 CA PRO A 66 -14.685 13.399 3.988 1.00 0.56 C ATOM 923 C PRO A 66 -13.993 12.157 4.556 1.00 0.50 C ATOM 924 O PRO A 66 -13.032 12.260 5.328 1.00 0.52 O ATOM 925 CB PRO A 66 -16.114 13.535 4.515 1.00 0.59 C ATOM 926 CG PRO A 66 -16.850 14.204 3.415 1.00 0.63 C ATOM 927 CD PRO A 66 -16.257 13.662 2.141 1.00 0.58 C ATOM 0 HA PRO A 66 -14.039 14.227 4.280 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -16.546 12.562 4.748 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -16.145 14.125 5.431 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -17.918 13.991 3.472 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -16.737 15.287 3.470 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -16.803 12.790 1.782 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -16.277 14.402 1.341 1.00 0.58 H new ATOM 935 N GLU A 67 -14.465 10.980 4.159 1.00 0.46 N ATOM 936 CA GLU A 67 -13.860 9.736 4.606 1.00 0.43 C ATOM 937 C GLU A 67 -12.519 9.520 3.930 1.00 0.43 C ATOM 938 O GLU A 67 -11.609 8.951 4.522 1.00 0.44 O ATOM 939 CB GLU A 67 -14.759 8.545 4.305 1.00 0.41 C ATOM 940 CG GLU A 67 -15.996 8.479 5.173 1.00 0.43 C ATOM 941 CD GLU A 67 -17.048 7.575 4.586 1.00 0.43 C ATOM 942 OE1 GLU A 67 -16.928 7.189 3.405 1.00 0.39 O ATOM 943 OE2 GLU A 67 -18.030 7.257 5.279 1.00 0.51 O ATOM 0 H GLU A 67 -15.261 10.864 3.532 1.00 0.46 H new ATOM 0 HA GLU A 67 -13.721 9.814 5.684 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -15.062 8.586 3.259 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -14.186 7.627 4.435 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -15.724 8.122 6.166 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -16.407 9.481 5.296 1.00 0.43 H new ATOM 950 N PHE A 68 -12.391 10.016 2.705 1.00 0.44 N ATOM 951 CA PHE A 68 -11.157 9.860 1.954 1.00 0.46 C ATOM 952 C PHE A 68 -10.023 10.535 2.702 1.00 0.48 C ATOM 953 O PHE A 68 -8.909 10.024 2.756 1.00 0.48 O ATOM 954 CB PHE A 68 -11.266 10.442 0.539 1.00 0.50 C ATOM 955 CG PHE A 68 -10.155 9.990 -0.368 1.00 0.73 C ATOM 956 CD1 PHE A 68 -10.287 8.835 -1.122 1.00 0.94 C ATOM 957 CD2 PHE A 68 -8.974 10.713 -0.456 1.00 1.02 C ATOM 958 CE1 PHE A 68 -9.266 8.412 -1.951 1.00 1.29 C ATOM 959 CE2 PHE A 68 -7.952 10.294 -1.285 1.00 1.34 C ATOM 960 CZ PHE A 68 -8.096 9.141 -2.033 1.00 1.44 C ATOM 0 H PHE A 68 -13.125 10.527 2.215 1.00 0.44 H new ATOM 0 HA PHE A 68 -10.959 8.793 1.854 1.00 0.46 H new ATOM 0 HB2 PHE A 68 -12.223 10.152 0.105 1.00 0.50 H new ATOM 0 HB3 PHE A 68 -11.260 11.530 0.598 1.00 0.50 H new ATOM 0 HD1 PHE A 68 -11.198 8.259 -1.061 1.00 0.94 H new ATOM 0 HD2 PHE A 68 -8.853 11.612 0.130 1.00 1.02 H new ATOM 0 HE1 PHE A 68 -9.383 7.511 -2.535 1.00 1.29 H new ATOM 0 HE2 PHE A 68 -7.039 10.868 -1.349 1.00 1.34 H new ATOM 0 HZ PHE A 68 -7.296 8.811 -2.680 1.00 1.44 H new ATOM 970 N LEU A 69 -10.328 11.679 3.298 1.00 0.52 N ATOM 971 CA LEU A 69 -9.349 12.428 4.065 1.00 0.56 C ATOM 972 C LEU A 69 -8.997 11.679 5.348 1.00 0.51 C ATOM 973 O LEU A 69 -7.829 11.389 5.605 1.00 0.50 O ATOM 974 CB LEU A 69 -9.897 13.814 4.400 1.00 0.66 C ATOM 975 CG LEU A 69 -10.303 14.669 3.197 1.00 0.75 C ATOM 976 CD1 LEU A 69 -10.974 15.947 3.666 1.00 0.89 C ATOM 977 CD2 LEU A 69 -9.100 14.999 2.323 1.00 0.82 C ATOM 0 H LEU A 69 -11.252 12.109 3.263 1.00 0.52 H new ATOM 0 HA LEU A 69 -8.445 12.540 3.466 1.00 0.56 H new ATOM 0 HB2 LEU A 69 -10.765 13.696 5.049 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -9.143 14.356 4.971 1.00 0.66 H new ATOM 0 HG LEU A 69 -11.008 14.094 2.597 1.00 0.75 H new ATOM 0 HD11 LEU A 69 -11.258 16.547 2.802 1.00 0.89 H new ATOM 0 HD12 LEU A 69 -11.864 15.699 4.245 1.00 0.89 H new ATOM 0 HD13 LEU A 69 -10.282 16.514 4.289 1.00 0.89 H new ATOM 0 HD21 LEU A 69 -9.421 15.607 1.477 1.00 0.82 H new ATOM 0 HD22 LEU A 69 -8.365 15.551 2.909 1.00 0.82 H new ATOM 0 HD23 LEU A 69 -8.652 14.075 1.957 1.00 0.82 H new ATOM 989 N THR A 70 -10.020 11.354 6.133 1.00 0.52 N ATOM 990 CA THR A 70 -9.843 10.640 7.393 1.00 0.54 C ATOM 991 C THR A 70 -9.107 9.302 7.173 1.00 0.47 C ATOM 992 O THR A 70 -8.098 9.030 7.825 1.00 0.53 O ATOM 993 CB THR A 70 -11.211 10.379 8.060 1.00 0.62 C ATOM 994 OG1 THR A 70 -12.026 11.551 7.952 1.00 0.63 O ATOM 995 CG2 THR A 70 -11.043 10.008 9.525 1.00 0.74 C ATOM 0 H THR A 70 -10.991 11.577 5.915 1.00 0.52 H new ATOM 0 HA THR A 70 -9.237 11.265 8.049 1.00 0.54 H new ATOM 0 HB THR A 70 -11.690 9.544 7.548 1.00 0.62 H new ATOM 0 HG1 THR A 70 -12.426 11.590 7.058 1.00 0.63 H new ATOM 0 HG21 THR A 70 -12.022 9.830 9.970 1.00 0.74 H new ATOM 0 HG22 THR A 70 -10.438 9.105 9.605 1.00 0.74 H new ATOM 0 HG23 THR A 70 -10.548 10.823 10.052 1.00 0.74 H new ATOM 1003 N MET A 71 -9.618 8.529 6.233 1.00 0.42 N ATOM 1004 CA MET A 71 -9.037 7.232 5.894 1.00 0.43 C ATOM 1005 C MET A 71 -7.596 7.402 5.418 1.00 0.39 C ATOM 1006 O MET A 71 -6.725 6.601 5.751 1.00 0.41 O ATOM 1007 CB MET A 71 -9.893 6.555 4.829 1.00 0.51 C ATOM 1008 CG MET A 71 -9.347 5.229 4.354 1.00 0.71 C ATOM 1009 SD MET A 71 -9.493 5.001 2.570 1.00 0.69 S ATOM 1010 CE MET A 71 -8.668 6.464 1.955 1.00 0.68 C ATOM 0 H MET A 71 -10.441 8.775 5.683 1.00 0.42 H new ATOM 0 HA MET A 71 -9.019 6.599 6.781 1.00 0.43 H new ATOM 0 HB2 MET A 71 -10.896 6.402 5.227 1.00 0.51 H new ATOM 0 HB3 MET A 71 -9.988 7.224 3.974 1.00 0.51 H new ATOM 0 HG2 MET A 71 -8.298 5.152 4.639 1.00 0.71 H new ATOM 0 HG3 MET A 71 -9.876 4.422 4.862 1.00 0.71 H new ATOM 0 HE1 MET A 71 -8.287 6.272 0.952 1.00 0.68 H new ATOM 0 HE2 MET A 71 -9.374 7.293 1.922 1.00 0.68 H new ATOM 0 HE3 MET A 71 -7.839 6.719 2.615 1.00 0.68 H new ATOM 1020 N MET A 72 -7.352 8.448 4.636 1.00 0.38 N ATOM 1021 CA MET A 72 -6.021 8.718 4.100 1.00 0.40 C ATOM 1022 C MET A 72 -5.038 9.019 5.226 1.00 0.42 C ATOM 1023 O MET A 72 -3.933 8.490 5.249 1.00 0.45 O ATOM 1024 CB MET A 72 -6.062 9.889 3.123 1.00 0.43 C ATOM 1025 CG MET A 72 -4.803 10.046 2.298 1.00 0.58 C ATOM 1026 SD MET A 72 -4.414 11.770 1.960 1.00 1.18 S ATOM 1027 CE MET A 72 -5.921 12.335 1.171 1.00 1.69 C ATOM 0 H MET A 72 -8.061 9.126 4.358 1.00 0.38 H new ATOM 0 HA MET A 72 -5.686 7.827 3.569 1.00 0.40 H new ATOM 0 HB2 MET A 72 -6.911 9.759 2.451 1.00 0.43 H new ATOM 0 HB3 MET A 72 -6.235 10.809 3.681 1.00 0.43 H new ATOM 0 HG2 MET A 72 -3.967 9.584 2.824 1.00 0.58 H new ATOM 0 HG3 MET A 72 -4.921 9.511 1.355 1.00 0.58 H new ATOM 0 HE1 MET A 72 -5.828 13.392 0.923 1.00 1.69 H new ATOM 0 HE2 MET A 72 -6.091 11.762 0.259 1.00 1.69 H new ATOM 0 HE3 MET A 72 -6.762 12.194 1.850 1.00 1.69 H new ATOM 1037 N ALA A 73 -5.454 9.867 6.160 1.00 0.45 N ATOM 1038 CA ALA A 73 -4.613 10.232 7.296 1.00 0.53 C ATOM 1039 C ALA A 73 -4.274 9.005 8.135 1.00 0.51 C ATOM 1040 O ALA A 73 -3.217 8.936 8.764 1.00 0.55 O ATOM 1041 CB ALA A 73 -5.311 11.278 8.151 1.00 0.63 C ATOM 0 H ALA A 73 -6.370 10.316 6.153 1.00 0.45 H new ATOM 0 HA ALA A 73 -3.683 10.652 6.913 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -4.674 11.542 8.995 1.00 0.63 H new ATOM 0 HB2 ALA A 73 -5.506 12.167 7.551 1.00 0.63 H new ATOM 0 HB3 ALA A 73 -6.254 10.876 8.520 1.00 0.63 H new ATOM 1047 N ARG A 74 -5.181 8.037 8.135 1.00 0.49 N ATOM 1048 CA ARG A 74 -4.986 6.798 8.869 1.00 0.53 C ATOM 1049 C ARG A 74 -3.849 5.969 8.254 1.00 0.53 C ATOM 1050 O ARG A 74 -3.289 5.094 8.913 1.00 0.81 O ATOM 1051 CB ARG A 74 -6.291 6.001 8.887 1.00 0.59 C ATOM 1052 CG ARG A 74 -6.289 4.822 9.843 1.00 0.77 C ATOM 1053 CD ARG A 74 -6.981 3.622 9.228 1.00 1.02 C ATOM 1054 NE ARG A 74 -8.414 3.845 9.029 1.00 0.96 N ATOM 1055 CZ ARG A 74 -9.282 2.879 8.733 1.00 1.22 C ATOM 1056 NH1 ARG A 74 -8.871 1.617 8.650 1.00 1.45 N ATOM 1057 NH2 ARG A 74 -10.567 3.174 8.542 1.00 1.44 N ATOM 0 H ARG A 74 -6.065 8.089 7.630 1.00 0.49 H new ATOM 0 HA ARG A 74 -4.703 7.037 9.894 1.00 0.53 H new ATOM 0 HB2 ARG A 74 -7.108 6.670 9.156 1.00 0.59 H new ATOM 0 HB3 ARG A 74 -6.495 5.637 7.880 1.00 0.59 H new ATOM 0 HG2 ARG A 74 -5.263 4.561 10.102 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -6.791 5.100 10.770 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -6.516 3.389 8.270 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -6.837 2.754 9.871 1.00 1.02 H new ATOM 0 HE ARG A 74 -8.769 4.797 9.123 1.00 0.96 H new ATOM 0 HH11 ARG A 74 -7.890 1.388 8.813 1.00 1.45 H new ATOM 0 HH12 ARG A 74 -9.536 0.878 8.423 1.00 1.45 H new ATOM 0 HH21 ARG A 74 -10.886 4.139 8.622 1.00 1.44 H new ATOM 0 HH22 ARG A 74 -11.232 2.434 8.315 1.00 1.44 H new ATOM 1071 N LYS A 75 -3.508 6.250 6.997 1.00 0.42 N ATOM 1072 CA LYS A 75 -2.426 5.529 6.328 1.00 0.47 C ATOM 1073 C LYS A 75 -1.254 6.461 6.004 1.00 0.56 C ATOM 1074 O LYS A 75 -0.157 6.002 5.681 1.00 0.78 O ATOM 1075 CB LYS A 75 -2.923 4.821 5.060 1.00 0.52 C ATOM 1076 CG LYS A 75 -2.133 3.563 4.739 1.00 0.72 C ATOM 1077 CD LYS A 75 -2.570 2.385 5.591 1.00 0.79 C ATOM 1078 CE LYS A 75 -4.032 2.064 5.361 1.00 0.86 C ATOM 1079 NZ LYS A 75 -4.262 0.619 5.111 1.00 0.83 N ATOM 0 H LYS A 75 -3.960 6.964 6.426 1.00 0.42 H new ATOM 0 HA LYS A 75 -2.070 4.766 7.020 1.00 0.47 H new ATOM 0 HB2 LYS A 75 -3.975 4.562 5.182 1.00 0.52 H new ATOM 0 HB3 LYS A 75 -2.860 5.509 4.217 1.00 0.52 H new ATOM 0 HG2 LYS A 75 -2.259 3.315 3.685 1.00 0.72 H new ATOM 0 HG3 LYS A 75 -1.071 3.751 4.898 1.00 0.72 H new ATOM 0 HD2 LYS A 75 -1.960 1.513 5.353 1.00 0.79 H new ATOM 0 HD3 LYS A 75 -2.405 2.612 6.644 1.00 0.79 H new ATOM 0 HE2 LYS A 75 -4.611 2.376 6.230 1.00 0.86 H new ATOM 0 HE3 LYS A 75 -4.398 2.640 4.511 1.00 0.86 H new ATOM 0 HZ1 LYS A 75 -4.784 0.500 4.220 1.00 0.83 H new ATOM 0 HZ2 LYS A 75 -3.347 0.128 5.045 1.00 0.83 H new ATOM 0 HZ3 LYS A 75 -4.815 0.215 5.893 1.00 0.83 H new ATOM 1093 N MET A 76 -1.494 7.769 6.085 1.00 0.58 N ATOM 1094 CA MET A 76 -0.453 8.763 5.829 1.00 0.72 C ATOM 1095 C MET A 76 0.742 8.487 6.734 1.00 0.71 C ATOM 1096 O MET A 76 1.886 8.448 6.287 1.00 0.80 O ATOM 1097 CB MET A 76 -0.980 10.180 6.090 1.00 0.92 C ATOM 1098 CG MET A 76 0.032 11.280 5.801 1.00 1.20 C ATOM 1099 SD MET A 76 -0.152 12.702 6.896 1.00 1.55 S ATOM 1100 CE MET A 76 -1.926 12.948 6.845 1.00 1.68 C ATOM 0 H MET A 76 -2.402 8.165 6.326 1.00 0.58 H new ATOM 0 HA MET A 76 -0.151 8.693 4.784 1.00 0.72 H new ATOM 0 HB2 MET A 76 -1.866 10.346 5.477 1.00 0.92 H new ATOM 0 HB3 MET A 76 -1.294 10.254 7.131 1.00 0.92 H new ATOM 0 HG2 MET A 76 1.040 10.877 5.902 1.00 1.20 H new ATOM 0 HG3 MET A 76 -0.078 11.606 4.767 1.00 1.20 H new ATOM 0 HE1 MET A 76 -2.149 14.009 6.953 1.00 1.68 H new ATOM 0 HE2 MET A 76 -2.316 12.590 5.892 1.00 1.68 H new ATOM 0 HE3 MET A 76 -2.394 12.394 7.659 1.00 1.68 H new ATOM 1110 N LYS A 77 0.450 8.278 8.007 1.00 0.72 N ATOM 1111 CA LYS A 77 1.477 7.975 8.986 1.00 0.86 C ATOM 1112 C LYS A 77 1.150 6.660 9.666 1.00 0.77 C ATOM 1113 O LYS A 77 0.988 6.609 10.883 1.00 0.85 O ATOM 1114 CB LYS A 77 1.587 9.085 10.030 1.00 1.11 C ATOM 1115 CG LYS A 77 1.844 10.459 9.445 1.00 1.32 C ATOM 1116 CD LYS A 77 2.573 11.349 10.429 1.00 1.47 C ATOM 1117 CE LYS A 77 1.816 11.477 11.741 1.00 1.65 C ATOM 1118 NZ LYS A 77 2.466 12.437 12.666 1.00 1.95 N ATOM 0 H LYS A 77 -0.496 8.313 8.387 1.00 0.72 H new ATOM 0 HA LYS A 77 2.435 7.898 8.472 1.00 0.86 H new ATOM 0 HB2 LYS A 77 0.665 9.116 10.611 1.00 1.11 H new ATOM 0 HB3 LYS A 77 2.392 8.840 10.722 1.00 1.11 H new ATOM 0 HG2 LYS A 77 2.433 10.364 8.533 1.00 1.32 H new ATOM 0 HG3 LYS A 77 0.897 10.921 9.166 1.00 1.32 H new ATOM 0 HD2 LYS A 77 3.566 10.943 10.620 1.00 1.47 H new ATOM 0 HD3 LYS A 77 2.712 12.338 9.991 1.00 1.47 H new ATOM 0 HE2 LYS A 77 0.795 11.802 11.540 1.00 1.65 H new ATOM 0 HE3 LYS A 77 1.752 10.500 12.219 1.00 1.65 H new ATOM 0 HZ1 LYS A 77 1.918 12.494 13.548 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 3.432 12.115 12.879 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 2.505 13.376 12.221 1.00 1.95 H new ATOM 1132 N ASP A 78 1.004 5.612 8.863 1.00 0.83 N ATOM 1133 CA ASP A 78 0.703 4.287 9.382 1.00 0.83 C ATOM 1134 C ASP A 78 1.741 3.860 10.411 1.00 0.81 C ATOM 1135 O ASP A 78 2.887 3.555 10.078 1.00 1.06 O ATOM 1136 CB ASP A 78 0.625 3.262 8.243 1.00 1.15 C ATOM 1137 CG ASP A 78 0.522 1.838 8.758 1.00 1.18 C ATOM 1138 OD1 ASP A 78 -0.471 1.519 9.447 1.00 1.18 O ATOM 1139 OD2 ASP A 78 1.438 1.037 8.486 1.00 1.41 O ATOM 0 H ASP A 78 1.090 5.657 7.848 1.00 0.83 H new ATOM 0 HA ASP A 78 -0.269 4.331 9.873 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -0.239 3.483 7.616 1.00 1.15 H new ATOM 0 HB3 ASP A 78 1.509 3.355 7.612 1.00 1.15 H new ATOM 1144 N THR A 79 1.336 3.905 11.667 1.00 0.72 N ATOM 1145 CA THR A 79 2.188 3.522 12.776 1.00 0.95 C ATOM 1146 C THR A 79 1.423 2.579 13.685 1.00 0.92 C ATOM 1147 O THR A 79 1.898 2.172 14.747 1.00 1.10 O ATOM 1148 CB THR A 79 2.662 4.767 13.561 1.00 1.28 C ATOM 1149 OG1 THR A 79 1.541 5.591 13.936 1.00 1.45 O ATOM 1150 CG2 THR A 79 3.628 5.577 12.709 1.00 1.43 C ATOM 0 H THR A 79 0.404 4.209 11.947 1.00 0.72 H new ATOM 0 HA THR A 79 3.074 3.017 12.390 1.00 0.95 H new ATOM 0 HB THR A 79 3.167 4.431 14.467 1.00 1.28 H new ATOM 0 HG1 THR A 79 0.778 5.020 14.166 1.00 1.45 H new ATOM 0 HG21 THR A 79 3.959 6.453 13.267 1.00 1.43 H new ATOM 0 HG22 THR A 79 4.491 4.962 12.453 1.00 1.43 H new ATOM 0 HG23 THR A 79 3.127 5.897 11.795 1.00 1.43 H new ATOM 1158 N ASP A 80 0.232 2.229 13.224 1.00 0.79 N ATOM 1159 CA ASP A 80 -0.673 1.352 13.941 1.00 0.83 C ATOM 1160 C ASP A 80 -1.174 0.293 12.970 1.00 0.80 C ATOM 1161 O ASP A 80 -2.361 -0.047 12.940 1.00 1.18 O ATOM 1162 CB ASP A 80 -1.857 2.149 14.509 1.00 1.03 C ATOM 1163 CG ASP A 80 -1.451 3.402 15.268 1.00 1.39 C ATOM 1164 OD1 ASP A 80 -0.907 4.347 14.646 1.00 1.69 O ATOM 1165 OD2 ASP A 80 -1.701 3.457 16.488 1.00 1.78 O ATOM 0 H ASP A 80 -0.136 2.552 12.329 1.00 0.79 H new ATOM 0 HA ASP A 80 -0.152 0.884 14.776 1.00 0.83 H new ATOM 0 HB2 ASP A 80 -2.518 2.431 13.690 1.00 1.03 H new ATOM 0 HB3 ASP A 80 -2.431 1.504 15.174 1.00 1.03 H new ATOM 1170 N SER A 81 -0.237 -0.210 12.186 1.00 0.74 N ATOM 1171 CA SER A 81 -0.481 -1.206 11.150 1.00 0.82 C ATOM 1172 C SER A 81 -1.020 -2.544 11.673 1.00 0.75 C ATOM 1173 O SER A 81 -0.267 -3.504 11.842 1.00 0.89 O ATOM 1174 CB SER A 81 0.834 -1.446 10.414 1.00 1.10 C ATOM 1175 OG SER A 81 1.751 -0.401 10.685 1.00 1.10 O ATOM 0 H SER A 81 0.742 0.069 12.252 1.00 0.74 H new ATOM 0 HA SER A 81 -1.258 -0.809 10.497 1.00 0.82 H new ATOM 0 HB2 SER A 81 1.261 -2.401 10.721 1.00 1.10 H new ATOM 0 HB3 SER A 81 0.651 -1.509 9.341 1.00 1.10 H new ATOM 0 HG SER A 81 2.007 0.035 9.846 1.00 1.10 H new ATOM 1181 N GLU A 82 -2.318 -2.609 11.930 1.00 0.69 N ATOM 1182 CA GLU A 82 -2.934 -3.851 12.373 1.00 0.76 C ATOM 1183 C GLU A 82 -3.546 -4.559 11.165 1.00 0.64 C ATOM 1184 O GLU A 82 -3.005 -5.546 10.667 1.00 0.78 O ATOM 1185 CB GLU A 82 -3.993 -3.583 13.447 1.00 0.90 C ATOM 1186 CG GLU A 82 -4.584 -4.848 14.044 1.00 1.13 C ATOM 1187 CD GLU A 82 -3.526 -5.804 14.543 1.00 1.39 C ATOM 1188 OE1 GLU A 82 -2.908 -5.523 15.584 1.00 1.86 O ATOM 1189 OE2 GLU A 82 -3.297 -6.837 13.880 1.00 1.72 O ATOM 0 H GLU A 82 -2.961 -1.822 11.840 1.00 0.69 H new ATOM 0 HA GLU A 82 -2.175 -4.493 12.820 1.00 0.76 H new ATOM 0 HB2 GLU A 82 -3.548 -2.988 14.244 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -4.795 -2.986 13.014 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -5.246 -4.582 14.868 1.00 1.13 H new ATOM 0 HG3 GLU A 82 -5.196 -5.348 13.293 1.00 1.13 H new ATOM 1196 N GLU A 83 -4.653 -4.031 10.677 1.00 0.53 N ATOM 1197 CA GLU A 83 -5.321 -4.587 9.511 1.00 0.52 C ATOM 1198 C GLU A 83 -4.825 -3.853 8.273 1.00 0.45 C ATOM 1199 O GLU A 83 -4.880 -4.365 7.153 1.00 0.48 O ATOM 1200 CB GLU A 83 -6.849 -4.466 9.627 1.00 0.68 C ATOM 1201 CG GLU A 83 -7.365 -3.033 9.760 1.00 1.37 C ATOM 1202 CD GLU A 83 -7.150 -2.446 11.145 1.00 1.96 C ATOM 1203 OE1 GLU A 83 -6.032 -1.964 11.425 1.00 2.70 O ATOM 1204 OE2 GLU A 83 -8.093 -2.478 11.958 1.00 2.40 O ATOM 0 H GLU A 83 -5.113 -3.211 11.073 1.00 0.53 H new ATOM 0 HA GLU A 83 -5.086 -5.649 9.439 1.00 0.52 H new ATOM 0 HB2 GLU A 83 -7.304 -4.922 8.748 1.00 0.68 H new ATOM 0 HB3 GLU A 83 -7.181 -5.040 10.492 1.00 0.68 H new ATOM 0 HG2 GLU A 83 -6.865 -2.404 9.024 1.00 1.37 H new ATOM 0 HG3 GLU A 83 -8.429 -3.014 9.525 1.00 1.37 H new ATOM 1211 N GLU A 84 -4.313 -2.651 8.510 1.00 0.44 N ATOM 1212 CA GLU A 84 -3.780 -1.796 7.455 1.00 0.46 C ATOM 1213 C GLU A 84 -2.660 -2.492 6.691 1.00 0.41 C ATOM 1214 O GLU A 84 -2.689 -2.575 5.465 1.00 0.46 O ATOM 1215 CB GLU A 84 -3.247 -0.499 8.058 1.00 0.56 C ATOM 1216 CG GLU A 84 -4.175 0.143 9.071 1.00 0.70 C ATOM 1217 CD GLU A 84 -5.559 0.424 8.514 1.00 0.73 C ATOM 1218 OE1 GLU A 84 -5.721 0.404 7.278 1.00 1.27 O ATOM 1219 OE2 GLU A 84 -6.487 0.668 9.309 1.00 1.26 O ATOM 0 H GLU A 84 -4.255 -2.240 9.442 1.00 0.44 H new ATOM 0 HA GLU A 84 -4.590 -1.578 6.759 1.00 0.46 H new ATOM 0 HB2 GLU A 84 -2.289 -0.701 8.537 1.00 0.56 H new ATOM 0 HB3 GLU A 84 -3.058 0.212 7.254 1.00 0.56 H new ATOM 0 HG2 GLU A 84 -4.265 -0.511 9.939 1.00 0.70 H new ATOM 0 HG3 GLU A 84 -3.733 1.077 9.419 1.00 0.70 H new ATOM 1226 N ILE A 85 -1.690 -3.014 7.428 1.00 0.38 N ATOM 1227 CA ILE A 85 -0.559 -3.699 6.823 1.00 0.42 C ATOM 1228 C ILE A 85 -1.020 -4.957 6.091 1.00 0.40 C ATOM 1229 O ILE A 85 -0.425 -5.363 5.094 1.00 0.41 O ATOM 1230 CB ILE A 85 0.510 -4.064 7.877 1.00 0.53 C ATOM 1231 CG1 ILE A 85 1.777 -4.570 7.198 1.00 1.17 C ATOM 1232 CG2 ILE A 85 -0.015 -5.099 8.860 1.00 1.38 C ATOM 1233 CD1 ILE A 85 2.823 -3.501 7.024 1.00 1.50 C ATOM 0 H ILE A 85 -1.664 -2.976 8.447 1.00 0.38 H new ATOM 0 HA ILE A 85 -0.108 -3.015 6.104 1.00 0.42 H new ATOM 0 HB ILE A 85 0.749 -3.160 8.437 1.00 0.53 H new ATOM 0 HG12 ILE A 85 2.196 -5.387 7.786 1.00 1.17 H new ATOM 0 HG13 ILE A 85 1.519 -4.980 6.221 1.00 1.17 H new ATOM 0 HG21 ILE A 85 0.760 -5.335 9.589 1.00 1.38 H new ATOM 0 HG22 ILE A 85 -0.889 -4.701 9.376 1.00 1.38 H new ATOM 0 HG23 ILE A 85 -0.294 -6.004 8.321 1.00 1.38 H new ATOM 0 HD11 ILE A 85 3.700 -3.926 6.535 1.00 1.50 H new ATOM 0 HD12 ILE A 85 2.421 -2.695 6.411 1.00 1.50 H new ATOM 0 HD13 ILE A 85 3.107 -3.108 8.000 1.00 1.50 H new ATOM 1245 N ARG A 86 -2.106 -5.548 6.576 1.00 0.41 N ATOM 1246 CA ARG A 86 -2.652 -6.749 5.981 1.00 0.44 C ATOM 1247 C ARG A 86 -3.277 -6.418 4.632 1.00 0.42 C ATOM 1248 O ARG A 86 -3.088 -7.141 3.658 1.00 0.44 O ATOM 1249 CB ARG A 86 -3.692 -7.371 6.916 1.00 0.50 C ATOM 1250 CG ARG A 86 -3.953 -8.853 6.672 1.00 0.89 C ATOM 1251 CD ARG A 86 -2.708 -9.693 6.922 1.00 1.26 C ATOM 1252 NE ARG A 86 -3.028 -11.095 7.181 1.00 1.63 N ATOM 1253 CZ ARG A 86 -2.310 -11.881 7.988 1.00 2.02 C ATOM 1254 NH1 ARG A 86 -1.268 -11.385 8.641 1.00 2.11 N ATOM 1255 NH2 ARG A 86 -2.645 -13.157 8.165 1.00 2.57 N ATOM 0 H ARG A 86 -2.625 -5.207 7.386 1.00 0.41 H new ATOM 0 HA ARG A 86 -1.850 -7.471 5.827 1.00 0.44 H new ATOM 0 HB2 ARG A 86 -3.362 -7.238 7.946 1.00 0.50 H new ATOM 0 HB3 ARG A 86 -4.630 -6.827 6.809 1.00 0.50 H new ATOM 0 HG2 ARG A 86 -4.758 -9.193 7.324 1.00 0.89 H new ATOM 0 HG3 ARG A 86 -4.290 -8.999 5.646 1.00 0.89 H new ATOM 0 HD2 ARG A 86 -2.048 -9.627 6.057 1.00 1.26 H new ATOM 0 HD3 ARG A 86 -2.161 -9.284 7.772 1.00 1.26 H new ATOM 0 HE ARG A 86 -3.845 -11.496 6.720 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -1.015 -10.404 8.527 1.00 2.11 H new ATOM 0 HH12 ARG A 86 -0.720 -11.985 9.257 1.00 2.11 H new ATOM 0 HH21 ARG A 86 -3.456 -13.543 7.682 1.00 2.57 H new ATOM 0 HH22 ARG A 86 -2.090 -13.749 8.783 1.00 2.57 H new ATOM 1269 N GLU A 87 -4.029 -5.315 4.586 1.00 0.42 N ATOM 1270 CA GLU A 87 -4.663 -4.863 3.355 1.00 0.44 C ATOM 1271 C GLU A 87 -3.662 -4.712 2.222 1.00 0.43 C ATOM 1272 O GLU A 87 -3.809 -5.331 1.166 1.00 0.45 O ATOM 1273 CB GLU A 87 -5.391 -3.537 3.604 1.00 0.48 C ATOM 1274 CG GLU A 87 -5.357 -2.572 2.425 1.00 0.47 C ATOM 1275 CD GLU A 87 -4.830 -1.216 2.821 1.00 0.64 C ATOM 1276 OE1 GLU A 87 -3.599 -1.059 2.918 1.00 1.47 O ATOM 1277 OE2 GLU A 87 -5.643 -0.302 3.048 1.00 0.92 O ATOM 0 H GLU A 87 -4.211 -4.719 5.394 1.00 0.42 H new ATOM 0 HA GLU A 87 -5.383 -5.623 3.051 1.00 0.44 H new ATOM 0 HB2 GLU A 87 -6.430 -3.748 3.856 1.00 0.48 H new ATOM 0 HB3 GLU A 87 -4.946 -3.049 4.471 1.00 0.48 H new ATOM 0 HG2 GLU A 87 -4.732 -2.987 1.634 1.00 0.47 H new ATOM 0 HG3 GLU A 87 -6.361 -2.465 2.015 1.00 0.47 H new ATOM 1284 N ALA A 88 -2.615 -3.919 2.446 1.00 0.41 N ATOM 1285 CA ALA A 88 -1.606 -3.688 1.428 1.00 0.40 C ATOM 1286 C ALA A 88 -0.809 -4.954 1.138 1.00 0.40 C ATOM 1287 O ALA A 88 -0.275 -5.120 0.040 1.00 0.41 O ATOM 1288 CB ALA A 88 -0.679 -2.569 1.872 1.00 0.41 C ATOM 0 H ALA A 88 -2.449 -3.429 3.325 1.00 0.41 H new ATOM 0 HA ALA A 88 -2.109 -3.397 0.506 1.00 0.40 H new ATOM 0 HB1 ALA A 88 0.077 -2.398 1.106 1.00 0.41 H new ATOM 0 HB2 ALA A 88 -1.256 -1.657 2.023 1.00 0.41 H new ATOM 0 HB3 ALA A 88 -0.192 -2.849 2.806 1.00 0.41 H new ATOM 1294 N PHE A 89 -0.760 -5.852 2.101 1.00 0.39 N ATOM 1295 CA PHE A 89 -0.024 -7.090 1.918 1.00 0.41 C ATOM 1296 C PHE A 89 -0.792 -7.994 0.952 1.00 0.43 C ATOM 1297 O PHE A 89 -0.195 -8.714 0.160 1.00 0.46 O ATOM 1298 CB PHE A 89 0.196 -7.814 3.248 1.00 0.42 C ATOM 1299 CG PHE A 89 1.494 -8.562 3.287 1.00 0.40 C ATOM 1300 CD1 PHE A 89 2.689 -7.873 3.413 1.00 0.52 C ATOM 1301 CD2 PHE A 89 1.525 -9.944 3.178 1.00 0.63 C ATOM 1302 CE1 PHE A 89 3.897 -8.548 3.436 1.00 0.64 C ATOM 1303 CE2 PHE A 89 2.726 -10.624 3.194 1.00 0.75 C ATOM 1304 CZ PHE A 89 3.914 -9.927 3.322 1.00 0.68 C ATOM 0 H PHE A 89 -1.215 -5.752 3.009 1.00 0.39 H new ATOM 0 HA PHE A 89 0.956 -6.851 1.506 1.00 0.41 H new ATOM 0 HB2 PHE A 89 0.174 -7.088 4.061 1.00 0.42 H new ATOM 0 HB3 PHE A 89 -0.626 -8.509 3.420 1.00 0.42 H new ATOM 0 HD1 PHE A 89 2.678 -6.796 3.494 1.00 0.52 H new ATOM 0 HD2 PHE A 89 0.601 -10.494 3.080 1.00 0.63 H new ATOM 0 HE1 PHE A 89 4.822 -8.001 3.542 1.00 0.64 H new ATOM 0 HE2 PHE A 89 2.738 -11.700 3.107 1.00 0.75 H new ATOM 0 HZ PHE A 89 4.854 -10.459 3.333 1.00 0.68 H new ATOM 1314 N ARG A 90 -2.113 -7.896 1.004 1.00 0.45 N ATOM 1315 CA ARG A 90 -2.991 -8.697 0.164 1.00 0.49 C ATOM 1316 C ARG A 90 -3.165 -8.087 -1.226 1.00 0.47 C ATOM 1317 O ARG A 90 -3.422 -8.795 -2.191 1.00 0.54 O ATOM 1318 CB ARG A 90 -4.352 -8.844 0.838 1.00 0.57 C ATOM 1319 CG ARG A 90 -4.322 -9.709 2.091 1.00 1.06 C ATOM 1320 CD ARG A 90 -5.721 -10.127 2.500 1.00 1.28 C ATOM 1321 NE ARG A 90 -6.444 -10.749 1.392 1.00 1.54 N ATOM 1322 CZ ARG A 90 -7.769 -10.720 1.251 1.00 1.91 C ATOM 1323 NH1 ARG A 90 -8.531 -10.146 2.175 1.00 2.17 N ATOM 1324 NH2 ARG A 90 -8.336 -11.281 0.191 1.00 2.35 N ATOM 0 H ARG A 90 -2.606 -7.259 1.630 1.00 0.45 H new ATOM 0 HA ARG A 90 -2.529 -9.676 0.039 1.00 0.49 H new ATOM 0 HB2 ARG A 90 -4.728 -7.855 1.099 1.00 0.57 H new ATOM 0 HB3 ARG A 90 -5.056 -9.275 0.126 1.00 0.57 H new ATOM 0 HG2 ARG A 90 -3.713 -10.595 1.911 1.00 1.06 H new ATOM 0 HG3 ARG A 90 -3.851 -9.159 2.905 1.00 1.06 H new ATOM 0 HD2 ARG A 90 -5.663 -10.826 3.335 1.00 1.28 H new ATOM 0 HD3 ARG A 90 -6.273 -9.256 2.852 1.00 1.28 H new ATOM 0 HE ARG A 90 -5.899 -11.237 0.681 1.00 1.54 H new ATOM 0 HH11 ARG A 90 -8.103 -9.724 2.999 1.00 2.17 H new ATOM 0 HH12 ARG A 90 -9.544 -10.127 2.061 1.00 2.17 H new ATOM 0 HH21 ARG A 90 -7.758 -11.735 -0.516 1.00 2.35 H new ATOM 0 HH22 ARG A 90 -9.350 -11.259 0.083 1.00 2.35 H new ATOM 1338 N VAL A 91 -3.063 -6.768 -1.311 1.00 0.43 N ATOM 1339 CA VAL A 91 -3.194 -6.078 -2.590 1.00 0.43 C ATOM 1340 C VAL A 91 -1.954 -6.318 -3.446 1.00 0.41 C ATOM 1341 O VAL A 91 -2.033 -6.372 -4.674 1.00 0.41 O ATOM 1342 CB VAL A 91 -3.420 -4.558 -2.381 1.00 0.44 C ATOM 1343 CG1 VAL A 91 -3.373 -3.795 -3.696 1.00 0.47 C ATOM 1344 CG2 VAL A 91 -4.748 -4.318 -1.681 1.00 0.46 C ATOM 0 H VAL A 91 -2.891 -6.155 -0.514 1.00 0.43 H new ATOM 0 HA VAL A 91 -4.065 -6.481 -3.108 1.00 0.43 H new ATOM 0 HB VAL A 91 -2.610 -4.185 -1.754 1.00 0.44 H new ATOM 0 HG11 VAL A 91 -3.536 -2.734 -3.507 1.00 0.47 H new ATOM 0 HG12 VAL A 91 -2.398 -3.935 -4.163 1.00 0.47 H new ATOM 0 HG13 VAL A 91 -4.151 -4.168 -4.361 1.00 0.47 H new ATOM 0 HG21 VAL A 91 -4.896 -3.247 -1.539 1.00 0.46 H new ATOM 0 HG22 VAL A 91 -5.558 -4.719 -2.290 1.00 0.46 H new ATOM 0 HG23 VAL A 91 -4.743 -4.815 -0.711 1.00 0.46 H new ATOM 1354 N PHE A 92 -0.812 -6.492 -2.788 1.00 0.42 N ATOM 1355 CA PHE A 92 0.443 -6.735 -3.489 1.00 0.42 C ATOM 1356 C PHE A 92 0.647 -8.231 -3.728 1.00 0.43 C ATOM 1357 O PHE A 92 1.121 -8.639 -4.788 1.00 0.47 O ATOM 1358 CB PHE A 92 1.621 -6.179 -2.689 1.00 0.43 C ATOM 1359 CG PHE A 92 1.723 -4.676 -2.667 1.00 0.36 C ATOM 1360 CD1 PHE A 92 1.329 -3.906 -3.759 1.00 0.42 C ATOM 1361 CD2 PHE A 92 2.228 -4.032 -1.550 1.00 0.39 C ATOM 1362 CE1 PHE A 92 1.441 -2.521 -3.721 1.00 0.42 C ATOM 1363 CE2 PHE A 92 2.338 -2.658 -1.510 1.00 0.43 C ATOM 1364 CZ PHE A 92 1.948 -1.903 -2.595 1.00 0.40 C ATOM 0 H PHE A 92 -0.730 -6.469 -1.772 1.00 0.42 H new ATOM 0 HA PHE A 92 0.394 -6.226 -4.452 1.00 0.42 H new ATOM 0 HB2 PHE A 92 1.545 -6.538 -1.663 1.00 0.43 H new ATOM 0 HB3 PHE A 92 2.545 -6.585 -3.101 1.00 0.43 H new ATOM 0 HD1 PHE A 92 0.934 -4.388 -4.641 1.00 0.42 H new ATOM 0 HD2 PHE A 92 2.541 -4.615 -0.696 1.00 0.39 H new ATOM 0 HE1 PHE A 92 1.132 -1.930 -4.570 1.00 0.42 H new ATOM 0 HE2 PHE A 92 2.730 -2.173 -0.628 1.00 0.43 H new ATOM 0 HZ PHE A 92 2.039 -0.827 -2.565 1.00 0.40 H new ATOM 1374 N ASP A 93 0.298 -9.040 -2.734 1.00 0.44 N ATOM 1375 CA ASP A 93 0.430 -10.489 -2.842 1.00 0.47 C ATOM 1376 C ASP A 93 -0.826 -11.065 -3.470 1.00 0.52 C ATOM 1377 O ASP A 93 -1.810 -11.337 -2.784 1.00 0.80 O ATOM 1378 CB ASP A 93 0.671 -11.120 -1.469 1.00 0.50 C ATOM 1379 CG ASP A 93 1.433 -12.421 -1.546 1.00 0.52 C ATOM 1380 OD1 ASP A 93 2.633 -12.393 -1.878 1.00 0.54 O ATOM 1381 OD2 ASP A 93 0.848 -13.483 -1.263 1.00 0.80 O ATOM 0 H ASP A 93 -0.079 -8.717 -1.843 1.00 0.44 H new ATOM 0 HA ASP A 93 1.290 -10.717 -3.472 1.00 0.47 H new ATOM 0 HB2 ASP A 93 1.223 -10.418 -0.844 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -0.288 -11.295 -0.982 1.00 0.50 H new ATOM 1386 N LYS A 94 -0.787 -11.242 -4.778 1.00 0.48 N ATOM 1387 CA LYS A 94 -1.929 -11.754 -5.511 1.00 0.54 C ATOM 1388 C LYS A 94 -1.937 -13.280 -5.548 1.00 0.56 C ATOM 1389 O LYS A 94 -2.976 -13.893 -5.795 1.00 0.65 O ATOM 1390 CB LYS A 94 -1.933 -11.187 -6.935 1.00 0.60 C ATOM 1391 CG LYS A 94 -3.237 -11.423 -7.674 1.00 0.86 C ATOM 1392 CD LYS A 94 -3.105 -12.514 -8.724 1.00 1.06 C ATOM 1393 CE LYS A 94 -4.436 -13.215 -8.950 1.00 1.31 C ATOM 1394 NZ LYS A 94 -4.783 -14.118 -7.819 1.00 1.70 N ATOM 0 H LYS A 94 0.028 -11.037 -5.356 1.00 0.48 H new ATOM 0 HA LYS A 94 -2.832 -11.433 -4.992 1.00 0.54 H new ATOM 0 HB2 LYS A 94 -1.737 -10.116 -6.892 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -1.117 -11.638 -7.500 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -4.014 -11.698 -6.961 1.00 0.86 H new ATOM 0 HG3 LYS A 94 -3.556 -10.497 -8.151 1.00 0.86 H new ATOM 0 HD2 LYS A 94 -2.754 -12.082 -9.661 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -2.356 -13.240 -8.407 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -5.222 -12.471 -9.076 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -4.391 -13.791 -9.875 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -4.566 -15.101 -8.081 1.00 1.70 H new ATOM 0 HZ2 LYS A 94 -4.228 -13.853 -6.980 1.00 1.70 H new ATOM 0 HZ3 LYS A 94 -5.797 -14.032 -7.605 1.00 1.70 H new ATOM 1408 N ASP A 95 -0.792 -13.903 -5.314 1.00 0.55 N ATOM 1409 CA ASP A 95 -0.732 -15.360 -5.335 1.00 0.59 C ATOM 1410 C ASP A 95 -1.242 -15.942 -4.018 1.00 0.60 C ATOM 1411 O ASP A 95 -1.609 -17.117 -3.956 1.00 0.67 O ATOM 1412 CB ASP A 95 0.684 -15.882 -5.661 1.00 0.59 C ATOM 1413 CG ASP A 95 1.777 -15.346 -4.752 1.00 0.55 C ATOM 1414 OD1 ASP A 95 1.509 -15.024 -3.584 1.00 0.62 O ATOM 1415 OD2 ASP A 95 2.934 -15.223 -5.206 1.00 0.58 O ATOM 0 H ASP A 95 0.092 -13.436 -5.111 1.00 0.55 H new ATOM 0 HA ASP A 95 -1.387 -15.698 -6.138 1.00 0.59 H new ATOM 0 HB2 ASP A 95 0.679 -16.970 -5.600 1.00 0.59 H new ATOM 0 HB3 ASP A 95 0.925 -15.621 -6.691 1.00 0.59 H new ATOM 1420 N GLY A 96 -1.277 -15.116 -2.975 1.00 0.58 N ATOM 1421 CA GLY A 96 -1.765 -15.563 -1.685 1.00 0.61 C ATOM 1422 C GLY A 96 -0.772 -16.457 -0.971 1.00 0.61 C ATOM 1423 O GLY A 96 -1.154 -17.320 -0.179 1.00 0.72 O ATOM 0 H GLY A 96 -0.975 -14.142 -3.003 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -1.983 -14.696 -1.062 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -2.703 -16.102 -1.821 1.00 0.61 H new ATOM 1427 N ASN A 97 0.500 -16.242 -1.241 1.00 0.61 N ATOM 1428 CA ASN A 97 1.551 -17.053 -0.652 1.00 0.62 C ATOM 1429 C ASN A 97 2.164 -16.368 0.564 1.00 0.60 C ATOM 1430 O ASN A 97 2.773 -17.025 1.409 1.00 0.66 O ATOM 1431 CB ASN A 97 2.607 -17.383 -1.720 1.00 0.62 C ATOM 1432 CG ASN A 97 3.901 -16.602 -1.583 1.00 0.55 C ATOM 1433 OD1 ASN A 97 3.998 -15.449 -2.022 1.00 0.58 O ATOM 1434 ND2 ASN A 97 4.908 -17.231 -1.001 1.00 0.72 N ATOM 0 H ASN A 97 0.834 -15.509 -1.867 1.00 0.61 H new ATOM 0 HA ASN A 97 1.120 -17.989 -0.295 1.00 0.62 H new ATOM 0 HB2 ASN A 97 2.833 -18.448 -1.673 1.00 0.62 H new ATOM 0 HB3 ASN A 97 2.183 -17.190 -2.705 1.00 0.62 H new ATOM 0 HD21 ASN A 97 5.810 -16.765 -0.899 1.00 0.72 H new ATOM 0 HD22 ASN A 97 4.783 -18.182 -0.654 1.00 0.72 H new ATOM 1441 N GLY A 98 1.995 -15.056 0.663 1.00 0.55 N ATOM 1442 CA GLY A 98 2.525 -14.326 1.800 1.00 0.56 C ATOM 1443 C GLY A 98 3.880 -13.681 1.533 1.00 0.53 C ATOM 1444 O GLY A 98 4.463 -13.058 2.419 1.00 0.58 O ATOM 0 H GLY A 98 1.501 -14.484 -0.022 1.00 0.55 H new ATOM 0 HA2 GLY A 98 1.814 -13.552 2.088 1.00 0.56 H new ATOM 0 HA3 GLY A 98 2.616 -15.006 2.647 1.00 0.56 H new ATOM 1448 N TYR A 99 4.391 -13.834 0.320 1.00 0.53 N ATOM 1449 CA TYR A 99 5.679 -13.252 -0.037 1.00 0.50 C ATOM 1450 C TYR A 99 5.569 -12.402 -1.299 1.00 0.50 C ATOM 1451 O TYR A 99 5.347 -12.923 -2.402 1.00 0.54 O ATOM 1452 CB TYR A 99 6.731 -14.342 -0.222 1.00 0.52 C ATOM 1453 CG TYR A 99 7.317 -14.837 1.076 1.00 0.70 C ATOM 1454 CD1 TYR A 99 8.369 -14.160 1.681 1.00 0.91 C ATOM 1455 CD2 TYR A 99 6.822 -15.976 1.703 1.00 0.92 C ATOM 1456 CE1 TYR A 99 8.911 -14.604 2.870 1.00 1.17 C ATOM 1457 CE2 TYR A 99 7.361 -16.425 2.894 1.00 1.19 C ATOM 1458 CZ TYR A 99 8.406 -15.733 3.471 1.00 1.26 C ATOM 1459 OH TYR A 99 8.955 -16.170 4.654 1.00 1.57 O ATOM 0 H TYR A 99 3.937 -14.353 -0.431 1.00 0.53 H new ATOM 0 HA TYR A 99 5.989 -12.604 0.783 1.00 0.50 H new ATOM 0 HB2 TYR A 99 6.283 -15.182 -0.753 1.00 0.52 H new ATOM 0 HB3 TYR A 99 7.534 -13.958 -0.851 1.00 0.52 H new ATOM 0 HD1 TYR A 99 8.769 -13.272 1.213 1.00 0.91 H new ATOM 0 HD2 TYR A 99 6.004 -16.518 1.252 1.00 0.92 H new ATOM 0 HE1 TYR A 99 9.729 -14.067 3.327 1.00 1.17 H new ATOM 0 HE2 TYR A 99 6.967 -17.311 3.369 1.00 1.19 H new ATOM 0 HH TYR A 99 8.488 -16.978 4.952 1.00 1.57 H new ATOM 1469 N ILE A 100 5.718 -11.092 -1.125 1.00 0.49 N ATOM 1470 CA ILE A 100 5.638 -10.143 -2.229 1.00 0.52 C ATOM 1471 C ILE A 100 6.983 -10.040 -2.944 1.00 0.61 C ATOM 1472 O ILE A 100 8.034 -10.159 -2.317 1.00 0.64 O ATOM 1473 CB ILE A 100 5.213 -8.742 -1.719 1.00 0.55 C ATOM 1474 CG1 ILE A 100 3.931 -8.847 -0.889 1.00 0.58 C ATOM 1475 CG2 ILE A 100 5.014 -7.768 -2.873 1.00 0.60 C ATOM 1476 CD1 ILE A 100 3.590 -7.577 -0.142 1.00 0.69 C ATOM 0 H ILE A 100 5.897 -10.661 -0.218 1.00 0.49 H new ATOM 0 HA ILE A 100 4.887 -10.507 -2.930 1.00 0.52 H new ATOM 0 HB ILE A 100 6.015 -8.357 -1.090 1.00 0.55 H new ATOM 0 HG12 ILE A 100 3.102 -9.106 -1.547 1.00 0.58 H new ATOM 0 HG13 ILE A 100 4.037 -9.663 -0.174 1.00 0.58 H new ATOM 0 HG21 ILE A 100 4.717 -6.795 -2.481 1.00 0.60 H new ATOM 0 HG22 ILE A 100 5.947 -7.666 -3.428 1.00 0.60 H new ATOM 0 HG23 ILE A 100 4.236 -8.145 -3.537 1.00 0.60 H new ATOM 0 HD11 ILE A 100 2.670 -7.724 0.424 1.00 0.69 H new ATOM 0 HD12 ILE A 100 4.401 -7.328 0.542 1.00 0.69 H new ATOM 0 HD13 ILE A 100 3.452 -6.763 -0.853 1.00 0.69 H new ATOM 1488 N SER A 101 6.950 -9.826 -4.253 1.00 0.84 N ATOM 1489 CA SER A 101 8.168 -9.715 -5.046 1.00 1.02 C ATOM 1490 C SER A 101 7.890 -8.978 -6.355 1.00 0.95 C ATOM 1491 O SER A 101 6.774 -8.507 -6.580 1.00 0.85 O ATOM 1492 CB SER A 101 8.709 -11.112 -5.347 1.00 1.14 C ATOM 1493 OG SER A 101 7.798 -11.842 -6.151 1.00 1.12 O ATOM 0 H SER A 101 6.089 -9.725 -4.790 1.00 0.84 H new ATOM 0 HA SER A 101 8.907 -9.149 -4.478 1.00 1.02 H new ATOM 0 HB2 SER A 101 9.669 -11.033 -5.857 1.00 1.14 H new ATOM 0 HB3 SER A 101 8.887 -11.647 -4.414 1.00 1.14 H new ATOM 0 HG SER A 101 8.164 -12.733 -6.334 1.00 1.12 H new ATOM 1499 N ALA A 102 8.903 -8.920 -7.228 1.00 1.01 N ATOM 1500 CA ALA A 102 8.794 -8.274 -8.548 1.00 0.98 C ATOM 1501 C ALA A 102 7.846 -9.057 -9.464 1.00 0.86 C ATOM 1502 O ALA A 102 7.650 -8.727 -10.632 1.00 1.30 O ATOM 1503 CB ALA A 102 10.173 -8.178 -9.182 1.00 1.09 C ATOM 0 H ALA A 102 9.823 -9.319 -7.042 1.00 1.01 H new ATOM 0 HA ALA A 102 8.384 -7.273 -8.414 1.00 0.98 H new ATOM 0 HB1 ALA A 102 10.092 -7.700 -10.158 1.00 1.09 H new ATOM 0 HB2 ALA A 102 10.827 -7.587 -8.542 1.00 1.09 H new ATOM 0 HB3 ALA A 102 10.589 -9.178 -9.301 1.00 1.09 H new ATOM 1509 N ALA A 103 7.256 -10.077 -8.879 1.00 0.56 N ATOM 1510 CA ALA A 103 6.316 -10.940 -9.571 1.00 0.66 C ATOM 1511 C ALA A 103 4.950 -10.269 -9.641 1.00 0.52 C ATOM 1512 O ALA A 103 4.545 -9.759 -10.686 1.00 0.57 O ATOM 1513 CB ALA A 103 6.225 -12.299 -8.890 1.00 0.93 C ATOM 0 H ALA A 103 7.414 -10.334 -7.905 1.00 0.56 H new ATOM 0 HA ALA A 103 6.674 -11.105 -10.587 1.00 0.66 H new ATOM 0 HB1 ALA A 103 5.515 -12.928 -9.427 1.00 0.93 H new ATOM 0 HB2 ALA A 103 7.206 -12.774 -8.894 1.00 0.93 H new ATOM 0 HB3 ALA A 103 5.889 -12.169 -7.861 1.00 0.93 H new ATOM 1519 N GLU A 104 4.259 -10.244 -8.509 1.00 0.45 N ATOM 1520 CA GLU A 104 2.935 -9.646 -8.429 1.00 0.42 C ATOM 1521 C GLU A 104 2.989 -8.126 -8.326 1.00 0.43 C ATOM 1522 O GLU A 104 2.087 -7.436 -8.804 1.00 0.46 O ATOM 1523 CB GLU A 104 2.190 -10.214 -7.233 1.00 0.51 C ATOM 1524 CG GLU A 104 2.323 -11.717 -7.100 1.00 0.49 C ATOM 1525 CD GLU A 104 2.683 -12.135 -5.697 1.00 0.60 C ATOM 1526 OE1 GLU A 104 3.883 -12.153 -5.352 1.00 0.78 O ATOM 1527 OE2 GLU A 104 1.775 -12.480 -4.923 1.00 0.83 O ATOM 0 H GLU A 104 4.597 -10.634 -7.629 1.00 0.45 H new ATOM 0 HA GLU A 104 2.410 -9.891 -9.352 1.00 0.42 H new ATOM 0 HB2 GLU A 104 2.563 -9.742 -6.324 1.00 0.51 H new ATOM 0 HB3 GLU A 104 1.134 -9.956 -7.316 1.00 0.51 H new ATOM 0 HG2 GLU A 104 1.384 -12.190 -7.389 1.00 0.49 H new ATOM 0 HG3 GLU A 104 3.086 -12.075 -7.791 1.00 0.49 H new ATOM 1534 N LEU A 105 4.049 -7.601 -7.716 1.00 0.43 N ATOM 1535 CA LEU A 105 4.188 -6.155 -7.548 1.00 0.47 C ATOM 1536 C LEU A 105 4.231 -5.459 -8.903 1.00 0.48 C ATOM 1537 O LEU A 105 3.717 -4.353 -9.066 1.00 0.50 O ATOM 1538 CB LEU A 105 5.443 -5.822 -6.739 1.00 0.50 C ATOM 1539 CG LEU A 105 5.638 -4.342 -6.413 1.00 0.55 C ATOM 1540 CD1 LEU A 105 4.461 -3.810 -5.613 1.00 0.61 C ATOM 1541 CD2 LEU A 105 6.931 -4.133 -5.649 1.00 0.63 C ATOM 0 H LEU A 105 4.819 -8.149 -7.332 1.00 0.43 H new ATOM 0 HA LEU A 105 3.319 -5.792 -7.000 1.00 0.47 H new ATOM 0 HB2 LEU A 105 5.411 -6.382 -5.804 1.00 0.50 H new ATOM 0 HB3 LEU A 105 6.315 -6.173 -7.291 1.00 0.50 H new ATOM 0 HG LEU A 105 5.695 -3.790 -7.351 1.00 0.55 H new ATOM 0 HD11 LEU A 105 4.619 -2.755 -5.391 1.00 0.61 H new ATOM 0 HD12 LEU A 105 3.545 -3.926 -6.193 1.00 0.61 H new ATOM 0 HD13 LEU A 105 4.373 -4.368 -4.681 1.00 0.61 H new ATOM 0 HD21 LEU A 105 7.054 -3.073 -5.425 1.00 0.63 H new ATOM 0 HD22 LEU A 105 6.899 -4.699 -4.718 1.00 0.63 H new ATOM 0 HD23 LEU A 105 7.770 -4.476 -6.254 1.00 0.63 H new ATOM 1553 N ARG A 106 4.830 -6.131 -9.879 1.00 0.49 N ATOM 1554 CA ARG A 106 4.936 -5.594 -11.229 1.00 0.52 C ATOM 1555 C ARG A 106 3.550 -5.476 -11.849 1.00 0.53 C ATOM 1556 O ARG A 106 3.243 -4.493 -12.522 1.00 0.59 O ATOM 1557 CB ARG A 106 5.835 -6.496 -12.085 1.00 0.56 C ATOM 1558 CG ARG A 106 5.872 -6.125 -13.563 1.00 0.82 C ATOM 1559 CD ARG A 106 6.361 -7.284 -14.425 1.00 0.84 C ATOM 1560 NE ARG A 106 7.817 -7.291 -14.588 1.00 0.72 N ATOM 1561 CZ ARG A 106 8.620 -8.289 -14.220 1.00 0.86 C ATOM 1562 NH1 ARG A 106 8.119 -9.372 -13.634 1.00 1.18 N ATOM 1563 NH2 ARG A 106 9.927 -8.200 -14.446 1.00 0.90 N ATOM 0 H ARG A 106 5.251 -7.052 -9.759 1.00 0.49 H new ATOM 0 HA ARG A 106 5.384 -4.601 -11.186 1.00 0.52 H new ATOM 0 HB2 ARG A 106 6.849 -6.460 -11.688 1.00 0.56 H new ATOM 0 HB3 ARG A 106 5.492 -7.526 -11.990 1.00 0.56 H new ATOM 0 HG2 ARG A 106 4.876 -5.825 -13.888 1.00 0.82 H new ATOM 0 HG3 ARG A 106 6.526 -5.265 -13.706 1.00 0.82 H new ATOM 0 HD2 ARG A 106 6.045 -8.225 -13.975 1.00 0.84 H new ATOM 0 HD3 ARG A 106 5.890 -7.226 -15.406 1.00 0.84 H new ATOM 0 HE ARG A 106 8.248 -6.471 -15.015 1.00 0.72 H new ATOM 0 HH11 ARG A 106 7.116 -9.442 -13.464 1.00 1.18 H new ATOM 0 HH12 ARG A 106 8.738 -10.133 -13.354 1.00 1.18 H new ATOM 0 HH21 ARG A 106 10.311 -7.371 -14.899 1.00 0.90 H new ATOM 0 HH22 ARG A 106 10.546 -8.961 -14.166 1.00 0.90 H new ATOM 1577 N HIS A 107 2.704 -6.466 -11.577 1.00 0.52 N ATOM 1578 CA HIS A 107 1.353 -6.488 -12.114 1.00 0.54 C ATOM 1579 C HIS A 107 0.513 -5.339 -11.560 1.00 0.54 C ATOM 1580 O HIS A 107 -0.039 -4.552 -12.327 1.00 0.59 O ATOM 1581 CB HIS A 107 0.679 -7.828 -11.802 1.00 0.58 C ATOM 1582 CG HIS A 107 -0.724 -7.927 -12.317 1.00 0.62 C ATOM 1583 ND1 HIS A 107 -0.991 -8.013 -13.664 1.00 0.80 N ATOM 1584 CD2 HIS A 107 -1.893 -7.933 -11.632 1.00 0.60 C ATOM 1585 CE1 HIS A 107 -2.307 -8.070 -13.767 1.00 0.83 C ATOM 1586 NE2 HIS A 107 -2.894 -8.025 -12.563 1.00 0.70 N ATOM 0 H HIS A 107 2.934 -7.264 -10.986 1.00 0.52 H new ATOM 0 HA HIS A 107 1.423 -6.364 -13.195 1.00 0.54 H new ATOM 0 HB2 HIS A 107 1.273 -8.633 -12.233 1.00 0.58 H new ATOM 0 HB3 HIS A 107 0.673 -7.980 -10.723 1.00 0.58 H new ATOM 0 HD2 HIS A 107 -2.013 -7.876 -10.560 1.00 0.60 H new ATOM 0 HE1 HIS A 107 -2.842 -8.144 -14.702 1.00 0.83 H new ATOM 0 HE2 HIS A 107 -3.896 -8.054 -12.375 1.00 0.70 H new ATOM 1594 N VAL A 108 0.435 -5.241 -10.241 1.00 0.49 N ATOM 1595 CA VAL A 108 -0.366 -4.200 -9.593 1.00 0.49 C ATOM 1596 C VAL A 108 0.136 -2.799 -9.937 1.00 0.49 C ATOM 1597 O VAL A 108 -0.658 -1.894 -10.188 1.00 0.52 O ATOM 1598 CB VAL A 108 -0.380 -4.369 -8.060 1.00 0.50 C ATOM 1599 CG1 VAL A 108 -1.425 -3.468 -7.425 1.00 0.53 C ATOM 1600 CG2 VAL A 108 -0.619 -5.823 -7.680 1.00 0.53 C ATOM 0 H VAL A 108 0.915 -5.867 -9.594 1.00 0.49 H new ATOM 0 HA VAL A 108 -1.381 -4.313 -9.975 1.00 0.49 H new ATOM 0 HB VAL A 108 0.597 -4.074 -7.679 1.00 0.50 H new ATOM 0 HG11 VAL A 108 -1.415 -3.605 -6.344 1.00 0.53 H new ATOM 0 HG12 VAL A 108 -1.200 -2.428 -7.661 1.00 0.53 H new ATOM 0 HG13 VAL A 108 -2.411 -3.723 -7.814 1.00 0.53 H new ATOM 0 HG21 VAL A 108 -0.625 -5.919 -6.594 1.00 0.53 H new ATOM 0 HG22 VAL A 108 -1.579 -6.150 -8.078 1.00 0.53 H new ATOM 0 HG23 VAL A 108 0.176 -6.443 -8.095 1.00 0.53 H new ATOM 1610 N MET A 109 1.454 -2.625 -9.965 1.00 0.47 N ATOM 1611 CA MET A 109 2.044 -1.323 -10.269 1.00 0.49 C ATOM 1612 C MET A 109 1.643 -0.861 -11.659 1.00 0.50 C ATOM 1613 O MET A 109 1.350 0.318 -11.878 1.00 0.52 O ATOM 1614 CB MET A 109 3.569 -1.393 -10.158 1.00 0.50 C ATOM 1615 CG MET A 109 4.212 -0.099 -9.687 1.00 0.62 C ATOM 1616 SD MET A 109 4.380 -0.002 -7.886 1.00 0.80 S ATOM 1617 CE MET A 109 2.670 0.127 -7.358 1.00 0.86 C ATOM 0 H MET A 109 2.132 -3.365 -9.782 1.00 0.47 H new ATOM 0 HA MET A 109 1.669 -0.601 -9.544 1.00 0.49 H new ATOM 0 HB2 MET A 109 3.837 -2.193 -9.468 1.00 0.50 H new ATOM 0 HB3 MET A 109 3.982 -1.660 -11.131 1.00 0.50 H new ATOM 0 HG2 MET A 109 5.197 -0.003 -10.143 1.00 0.62 H new ATOM 0 HG3 MET A 109 3.616 0.744 -10.036 1.00 0.62 H new ATOM 0 HE1 MET A 109 2.633 0.491 -6.331 1.00 0.86 H new ATOM 0 HE2 MET A 109 2.140 0.822 -8.009 1.00 0.86 H new ATOM 0 HE3 MET A 109 2.197 -0.854 -7.412 1.00 0.86 H new ATOM 1627 N THR A 110 1.609 -1.805 -12.586 1.00 0.50 N ATOM 1628 CA THR A 110 1.244 -1.524 -13.960 1.00 0.54 C ATOM 1629 C THR A 110 -0.271 -1.376 -14.093 1.00 0.53 C ATOM 1630 O THR A 110 -0.765 -0.587 -14.901 1.00 0.54 O ATOM 1631 CB THR A 110 1.734 -2.656 -14.882 1.00 0.58 C ATOM 1632 OG1 THR A 110 3.124 -2.910 -14.638 1.00 0.59 O ATOM 1633 CG2 THR A 110 1.523 -2.306 -16.345 1.00 0.67 C ATOM 0 H THR A 110 1.833 -2.783 -12.405 1.00 0.50 H new ATOM 0 HA THR A 110 1.718 -0.588 -14.255 1.00 0.54 H new ATOM 0 HB THR A 110 1.152 -3.551 -14.661 1.00 0.58 H new ATOM 0 HG1 THR A 110 3.229 -3.344 -13.765 1.00 0.59 H new ATOM 0 HG21 THR A 110 1.879 -3.125 -16.970 1.00 0.67 H new ATOM 0 HG22 THR A 110 0.461 -2.143 -16.531 1.00 0.67 H new ATOM 0 HG23 THR A 110 2.077 -1.399 -16.586 1.00 0.67 H new ATOM 1641 N ASN A 111 -0.994 -2.119 -13.265 1.00 0.53 N ATOM 1642 CA ASN A 111 -2.452 -2.104 -13.278 1.00 0.56 C ATOM 1643 C ASN A 111 -2.978 -0.772 -12.744 1.00 0.55 C ATOM 1644 O ASN A 111 -3.947 -0.222 -13.268 1.00 0.58 O ATOM 1645 CB ASN A 111 -2.992 -3.271 -12.452 1.00 0.58 C ATOM 1646 CG ASN A 111 -4.322 -3.782 -12.967 1.00 0.65 C ATOM 1647 OD1 ASN A 111 -5.383 -3.288 -12.593 1.00 0.86 O ATOM 1648 ND2 ASN A 111 -4.271 -4.794 -13.822 1.00 0.88 N ATOM 0 H ASN A 111 -0.590 -2.746 -12.569 1.00 0.53 H new ATOM 0 HA ASN A 111 -2.798 -2.216 -14.306 1.00 0.56 H new ATOM 0 HB2 ASN A 111 -2.266 -4.084 -12.461 1.00 0.58 H new ATOM 0 HB3 ASN A 111 -3.105 -2.956 -11.415 1.00 0.58 H new ATOM 0 HD21 ASN A 111 -5.134 -5.191 -14.194 1.00 0.88 H new ATOM 0 HD22 ASN A 111 -3.369 -5.176 -14.107 1.00 0.88 H new ATOM 1655 N LEU A 112 -2.328 -0.252 -11.694 1.00 0.54 N ATOM 1656 CA LEU A 112 -2.715 1.033 -11.102 1.00 0.57 C ATOM 1657 C LEU A 112 -2.507 2.147 -12.115 1.00 0.61 C ATOM 1658 O LEU A 112 -3.246 3.131 -12.146 1.00 0.68 O ATOM 1659 CB LEU A 112 -1.883 1.325 -9.849 1.00 0.59 C ATOM 1660 CG LEU A 112 -2.225 0.484 -8.616 1.00 0.58 C ATOM 1661 CD1 LEU A 112 -1.106 0.568 -7.591 1.00 0.93 C ATOM 1662 CD2 LEU A 112 -3.552 0.934 -8.004 1.00 0.63 C ATOM 0 H LEU A 112 -1.534 -0.701 -11.239 1.00 0.54 H new ATOM 0 HA LEU A 112 -3.767 0.980 -10.821 1.00 0.57 H new ATOM 0 HB2 LEU A 112 -0.831 1.173 -10.090 1.00 0.59 H new ATOM 0 HB3 LEU A 112 -2.002 2.378 -9.593 1.00 0.59 H new ATOM 0 HG LEU A 112 -2.331 -0.555 -8.927 1.00 0.58 H new ATOM 0 HD11 LEU A 112 -1.364 -0.035 -6.720 1.00 0.93 H new ATOM 0 HD12 LEU A 112 -0.181 0.194 -8.030 1.00 0.93 H new ATOM 0 HD13 LEU A 112 -0.969 1.605 -7.286 1.00 0.93 H new ATOM 0 HD21 LEU A 112 -3.775 0.323 -7.129 1.00 0.63 H new ATOM 0 HD22 LEU A 112 -3.479 1.980 -7.707 1.00 0.63 H new ATOM 0 HD23 LEU A 112 -4.349 0.820 -8.739 1.00 0.63 H new ATOM 1674 N GLY A 113 -1.488 1.975 -12.942 1.00 0.67 N ATOM 1675 CA GLY A 113 -1.184 2.947 -13.967 1.00 0.75 C ATOM 1676 C GLY A 113 -0.118 3.935 -13.547 1.00 0.77 C ATOM 1677 O GLY A 113 -0.203 5.115 -13.881 1.00 0.89 O ATOM 0 H GLY A 113 -0.861 1.171 -12.920 1.00 0.67 H new ATOM 0 HA2 GLY A 113 -0.856 2.427 -14.867 1.00 0.75 H new ATOM 0 HA3 GLY A 113 -2.093 3.490 -14.226 1.00 0.75 H new ATOM 1681 N GLU A 114 0.890 3.467 -12.818 1.00 0.72 N ATOM 1682 CA GLU A 114 1.964 4.351 -12.379 1.00 0.79 C ATOM 1683 C GLU A 114 3.030 4.463 -13.464 1.00 0.79 C ATOM 1684 O GLU A 114 3.001 3.735 -14.459 1.00 0.83 O ATOM 1685 CB GLU A 114 2.586 3.855 -11.071 1.00 0.84 C ATOM 1686 CG GLU A 114 2.551 4.887 -9.952 1.00 0.95 C ATOM 1687 CD GLU A 114 3.417 6.104 -10.236 1.00 1.07 C ATOM 1688 OE1 GLU A 114 3.103 6.851 -11.182 1.00 1.55 O ATOM 1689 OE2 GLU A 114 4.413 6.315 -9.512 1.00 1.61 O ATOM 0 H GLU A 114 0.986 2.496 -12.522 1.00 0.72 H new ATOM 0 HA GLU A 114 1.539 5.338 -12.197 1.00 0.79 H new ATOM 0 HB2 GLU A 114 2.059 2.959 -10.744 1.00 0.84 H new ATOM 0 HB3 GLU A 114 3.621 3.567 -11.256 1.00 0.84 H new ATOM 0 HG2 GLU A 114 1.522 5.210 -9.795 1.00 0.95 H new ATOM 0 HG3 GLU A 114 2.883 4.420 -9.025 1.00 0.95 H new ATOM 1696 N LYS A 115 3.964 5.378 -13.271 1.00 0.77 N ATOM 1697 CA LYS A 115 5.036 5.597 -14.232 1.00 0.80 C ATOM 1698 C LYS A 115 6.221 4.679 -13.952 1.00 0.82 C ATOM 1699 O LYS A 115 7.306 4.863 -14.498 1.00 1.18 O ATOM 1700 CB LYS A 115 5.481 7.059 -14.191 1.00 0.84 C ATOM 1701 CG LYS A 115 4.318 8.036 -14.159 1.00 0.91 C ATOM 1702 CD LYS A 115 4.579 9.171 -13.186 1.00 1.07 C ATOM 1703 CE LYS A 115 3.306 9.940 -12.874 1.00 1.17 C ATOM 1704 NZ LYS A 115 2.273 9.077 -12.239 1.00 1.02 N ATOM 0 H LYS A 115 4.003 5.986 -12.453 1.00 0.77 H new ATOM 0 HA LYS A 115 4.656 5.364 -15.227 1.00 0.80 H new ATOM 0 HB2 LYS A 115 6.105 7.218 -13.312 1.00 0.84 H new ATOM 0 HB3 LYS A 115 6.100 7.269 -15.063 1.00 0.84 H new ATOM 0 HG2 LYS A 115 4.153 8.441 -15.157 1.00 0.91 H new ATOM 0 HG3 LYS A 115 3.407 7.511 -13.873 1.00 0.91 H new ATOM 0 HD2 LYS A 115 4.999 8.771 -12.263 1.00 1.07 H new ATOM 0 HD3 LYS A 115 5.321 9.849 -13.607 1.00 1.07 H new ATOM 0 HE2 LYS A 115 3.539 10.773 -12.211 1.00 1.17 H new ATOM 0 HE3 LYS A 115 2.906 10.367 -13.794 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 1.681 9.652 -11.607 1.00 1.02 H new ATOM 0 HZ2 LYS A 115 1.678 8.648 -12.976 1.00 1.02 H new ATOM 0 HZ3 LYS A 115 2.738 8.326 -11.689 1.00 1.02 H new ATOM 1718 N LEU A 116 6.011 3.688 -13.100 1.00 0.64 N ATOM 1719 CA LEU A 116 7.064 2.750 -12.768 1.00 0.65 C ATOM 1720 C LEU A 116 7.158 1.650 -13.810 1.00 0.65 C ATOM 1721 O LEU A 116 6.259 0.820 -13.945 1.00 0.68 O ATOM 1722 CB LEU A 116 6.841 2.124 -11.392 1.00 0.70 C ATOM 1723 CG LEU A 116 7.498 2.870 -10.230 1.00 0.93 C ATOM 1724 CD1 LEU A 116 6.726 4.136 -9.896 1.00 1.27 C ATOM 1725 CD2 LEU A 116 7.599 1.961 -9.018 1.00 0.93 C ATOM 0 H LEU A 116 5.123 3.515 -12.629 1.00 0.64 H new ATOM 0 HA LEU A 116 7.998 3.311 -12.751 1.00 0.65 H new ATOM 0 HB2 LEU A 116 5.769 2.064 -11.206 1.00 0.70 H new ATOM 0 HB3 LEU A 116 7.219 1.102 -11.409 1.00 0.70 H new ATOM 0 HG LEU A 116 8.505 3.163 -10.528 1.00 0.93 H new ATOM 0 HD11 LEU A 116 7.212 4.650 -9.067 1.00 1.27 H new ATOM 0 HD12 LEU A 116 6.706 4.791 -10.767 1.00 1.27 H new ATOM 0 HD13 LEU A 116 5.706 3.876 -9.614 1.00 1.27 H new ATOM 0 HD21 LEU A 116 8.068 2.501 -8.196 1.00 0.93 H new ATOM 0 HD22 LEU A 116 6.601 1.641 -8.719 1.00 0.93 H new ATOM 0 HD23 LEU A 116 8.201 1.087 -9.268 1.00 0.93 H new ATOM 1737 N THR A 117 8.250 1.657 -14.553 1.00 0.70 N ATOM 1738 CA THR A 117 8.490 0.655 -15.568 1.00 0.73 C ATOM 1739 C THR A 117 9.030 -0.619 -14.930 1.00 0.71 C ATOM 1740 O THR A 117 9.159 -0.700 -13.710 1.00 0.69 O ATOM 1741 CB THR A 117 9.479 1.180 -16.617 1.00 0.81 C ATOM 1742 OG1 THR A 117 10.189 2.311 -16.091 1.00 0.93 O ATOM 1743 CG2 THR A 117 8.748 1.587 -17.891 1.00 1.04 C ATOM 0 H THR A 117 8.990 2.354 -14.469 1.00 0.70 H new ATOM 0 HA THR A 117 7.546 0.430 -16.063 1.00 0.73 H new ATOM 0 HB THR A 117 10.183 0.383 -16.857 1.00 0.81 H new ATOM 0 HG1 THR A 117 10.821 2.642 -16.763 1.00 0.93 H new ATOM 0 HG21 THR A 117 9.468 1.956 -18.621 1.00 1.04 H new ATOM 0 HG22 THR A 117 8.225 0.724 -18.302 1.00 1.04 H new ATOM 0 HG23 THR A 117 8.028 2.373 -17.662 1.00 1.04 H new ATOM 1751 N ASP A 118 9.362 -1.598 -15.755 1.00 0.73 N ATOM 1752 CA ASP A 118 9.863 -2.881 -15.272 1.00 0.74 C ATOM 1753 C ASP A 118 11.081 -2.730 -14.355 1.00 0.73 C ATOM 1754 O ASP A 118 11.091 -3.249 -13.236 1.00 0.74 O ATOM 1755 CB ASP A 118 10.197 -3.782 -16.456 1.00 0.79 C ATOM 1756 CG ASP A 118 10.030 -5.242 -16.117 1.00 0.97 C ATOM 1757 OD1 ASP A 118 10.970 -5.846 -15.564 1.00 1.38 O ATOM 1758 OD2 ASP A 118 8.941 -5.787 -16.392 1.00 1.20 O ATOM 0 H ASP A 118 9.294 -1.531 -16.771 1.00 0.73 H new ATOM 0 HA ASP A 118 9.074 -3.336 -14.673 1.00 0.74 H new ATOM 0 HB2 ASP A 118 9.553 -3.529 -17.298 1.00 0.79 H new ATOM 0 HB3 ASP A 118 11.223 -3.598 -16.774 1.00 0.79 H new ATOM 1763 N GLU A 119 12.098 -2.011 -14.816 1.00 0.72 N ATOM 1764 CA GLU A 119 13.302 -1.801 -14.012 1.00 0.73 C ATOM 1765 C GLU A 119 12.991 -0.937 -12.786 1.00 0.70 C ATOM 1766 O GLU A 119 13.614 -1.096 -11.736 1.00 0.71 O ATOM 1767 CB GLU A 119 14.398 -1.144 -14.849 1.00 0.78 C ATOM 1768 CG GLU A 119 15.698 -0.943 -14.097 1.00 1.15 C ATOM 1769 CD GLU A 119 16.868 -1.582 -14.806 1.00 1.69 C ATOM 1770 OE1 GLU A 119 16.787 -2.781 -15.128 1.00 2.18 O ATOM 1771 OE2 GLU A 119 17.879 -0.887 -15.041 1.00 2.33 O ATOM 0 H GLU A 119 12.116 -1.566 -15.734 1.00 0.72 H new ATOM 0 HA GLU A 119 13.655 -2.775 -13.672 1.00 0.73 H new ATOM 0 HB2 GLU A 119 14.588 -1.758 -15.729 1.00 0.78 H new ATOM 0 HB3 GLU A 119 14.041 -0.178 -15.206 1.00 0.78 H new ATOM 0 HG2 GLU A 119 15.886 0.124 -13.977 1.00 1.15 H new ATOM 0 HG3 GLU A 119 15.607 -1.365 -13.096 1.00 1.15 H new ATOM 1778 N GLU A 120 12.005 -0.057 -12.925 1.00 0.70 N ATOM 1779 CA GLU A 120 11.621 0.825 -11.832 1.00 0.69 C ATOM 1780 C GLU A 120 11.020 0.007 -10.693 1.00 0.67 C ATOM 1781 O GLU A 120 11.184 0.343 -9.520 1.00 0.68 O ATOM 1782 CB GLU A 120 10.642 1.896 -12.304 1.00 0.72 C ATOM 1783 CG GLU A 120 11.294 3.005 -13.115 1.00 0.85 C ATOM 1784 CD GLU A 120 12.320 3.778 -12.315 1.00 1.09 C ATOM 1785 OE1 GLU A 120 13.475 3.315 -12.221 1.00 1.86 O ATOM 1786 OE2 GLU A 120 11.975 4.848 -11.768 1.00 1.33 O ATOM 0 H GLU A 120 11.461 0.063 -13.779 1.00 0.70 H new ATOM 0 HA GLU A 120 12.514 1.334 -11.469 1.00 0.69 H new ATOM 0 HB2 GLU A 120 9.865 1.425 -12.907 1.00 0.72 H new ATOM 0 HB3 GLU A 120 10.150 2.334 -11.436 1.00 0.72 H new ATOM 0 HG2 GLU A 120 11.772 2.575 -13.995 1.00 0.85 H new ATOM 0 HG3 GLU A 120 10.525 3.690 -13.473 1.00 0.85 H new ATOM 1793 N VAL A 121 10.339 -1.077 -11.060 1.00 0.66 N ATOM 1794 CA VAL A 121 9.729 -1.965 -10.079 1.00 0.66 C ATOM 1795 C VAL A 121 10.818 -2.690 -9.301 1.00 0.64 C ATOM 1796 O VAL A 121 10.742 -2.829 -8.079 1.00 0.63 O ATOM 1797 CB VAL A 121 8.802 -3.012 -10.731 1.00 0.70 C ATOM 1798 CG1 VAL A 121 8.338 -4.031 -9.698 1.00 0.71 C ATOM 1799 CG2 VAL A 121 7.605 -2.348 -11.391 1.00 0.76 C ATOM 0 H VAL A 121 10.197 -1.359 -12.030 1.00 0.66 H new ATOM 0 HA VAL A 121 9.124 -1.346 -9.416 1.00 0.66 H new ATOM 0 HB VAL A 121 9.371 -3.529 -11.503 1.00 0.70 H new ATOM 0 HG11 VAL A 121 7.685 -4.762 -10.175 1.00 0.71 H new ATOM 0 HG12 VAL A 121 9.204 -4.540 -9.275 1.00 0.71 H new ATOM 0 HG13 VAL A 121 7.793 -3.521 -8.904 1.00 0.71 H new ATOM 0 HG21 VAL A 121 6.969 -3.110 -11.842 1.00 0.76 H new ATOM 0 HG22 VAL A 121 7.036 -1.797 -10.642 1.00 0.76 H new ATOM 0 HG23 VAL A 121 7.950 -1.660 -12.163 1.00 0.76 H new ATOM 1809 N ASP A 122 11.859 -3.116 -10.011 1.00 0.65 N ATOM 1810 CA ASP A 122 12.966 -3.823 -9.392 1.00 0.66 C ATOM 1811 C ASP A 122 13.787 -2.861 -8.531 1.00 0.65 C ATOM 1812 O ASP A 122 14.248 -3.227 -7.448 1.00 0.66 O ATOM 1813 CB ASP A 122 13.853 -4.469 -10.467 1.00 0.71 C ATOM 1814 CG ASP A 122 15.193 -4.945 -9.928 1.00 0.81 C ATOM 1815 OD1 ASP A 122 15.274 -6.101 -9.457 1.00 0.89 O ATOM 1816 OD2 ASP A 122 16.179 -4.172 -9.985 1.00 0.96 O ATOM 0 H ASP A 122 11.955 -2.981 -11.017 1.00 0.65 H new ATOM 0 HA ASP A 122 12.567 -4.611 -8.753 1.00 0.66 H new ATOM 0 HB2 ASP A 122 13.324 -5.315 -10.906 1.00 0.71 H new ATOM 0 HB3 ASP A 122 14.025 -3.750 -11.268 1.00 0.71 H new ATOM 1821 N GLU A 123 13.950 -1.632 -9.017 1.00 0.66 N ATOM 1822 CA GLU A 123 14.697 -0.604 -8.295 1.00 0.68 C ATOM 1823 C GLU A 123 14.019 -0.266 -6.969 1.00 0.66 C ATOM 1824 O GLU A 123 14.658 -0.275 -5.919 1.00 0.66 O ATOM 1825 CB GLU A 123 14.826 0.662 -9.146 1.00 0.75 C ATOM 1826 CG GLU A 123 16.141 1.414 -8.951 1.00 0.86 C ATOM 1827 CD GLU A 123 17.352 0.504 -8.900 1.00 0.91 C ATOM 1828 OE1 GLU A 123 17.514 -0.337 -9.803 1.00 1.13 O ATOM 1829 OE2 GLU A 123 18.152 0.625 -7.950 1.00 1.20 O ATOM 0 H GLU A 123 13.572 -1.323 -9.913 1.00 0.66 H new ATOM 0 HA GLU A 123 15.692 -0.998 -8.088 1.00 0.68 H new ATOM 0 HB2 GLU A 123 14.727 0.392 -10.197 1.00 0.75 H new ATOM 0 HB3 GLU A 123 13.999 1.331 -8.910 1.00 0.75 H new ATOM 0 HG2 GLU A 123 16.267 2.129 -9.764 1.00 0.86 H new ATOM 0 HG3 GLU A 123 16.089 1.989 -8.027 1.00 0.86 H new ATOM 1836 N MET A 124 12.721 0.020 -7.022 1.00 0.67 N ATOM 1837 CA MET A 124 11.970 0.363 -5.814 1.00 0.69 C ATOM 1838 C MET A 124 11.893 -0.834 -4.867 1.00 0.69 C ATOM 1839 O MET A 124 11.995 -0.674 -3.662 1.00 0.76 O ATOM 1840 CB MET A 124 10.553 0.864 -6.164 1.00 0.72 C ATOM 1841 CG MET A 124 9.597 0.880 -4.976 1.00 0.64 C ATOM 1842 SD MET A 124 8.019 1.695 -5.320 1.00 0.61 S ATOM 1843 CE MET A 124 7.040 1.049 -3.968 1.00 0.68 C ATOM 0 H MET A 124 12.169 0.022 -7.880 1.00 0.67 H new ATOM 0 HA MET A 124 12.501 1.171 -5.310 1.00 0.69 H new ATOM 0 HB2 MET A 124 10.625 1.871 -6.575 1.00 0.72 H new ATOM 0 HB3 MET A 124 10.136 0.230 -6.946 1.00 0.72 H new ATOM 0 HG2 MET A 124 9.405 -0.146 -4.662 1.00 0.64 H new ATOM 0 HG3 MET A 124 10.081 1.384 -4.139 1.00 0.64 H new ATOM 0 HE1 MET A 124 6.083 1.570 -3.930 1.00 0.68 H new ATOM 0 HE2 MET A 124 6.868 -0.016 -4.120 1.00 0.68 H new ATOM 0 HE3 MET A 124 7.572 1.200 -3.029 1.00 0.68 H new ATOM 1853 N ILE A 125 11.768 -2.032 -5.439 1.00 0.65 N ATOM 1854 CA ILE A 125 11.670 -3.279 -4.671 1.00 0.68 C ATOM 1855 C ILE A 125 12.770 -3.410 -3.603 1.00 0.66 C ATOM 1856 O ILE A 125 12.580 -4.063 -2.574 1.00 0.64 O ATOM 1857 CB ILE A 125 11.725 -4.511 -5.634 1.00 0.71 C ATOM 1858 CG1 ILE A 125 10.444 -5.346 -5.541 1.00 0.71 C ATOM 1859 CG2 ILE A 125 12.940 -5.398 -5.362 1.00 0.90 C ATOM 1860 CD1 ILE A 125 10.262 -6.049 -4.215 1.00 0.92 C ATOM 0 H ILE A 125 11.732 -2.168 -6.449 1.00 0.65 H new ATOM 0 HA ILE A 125 10.713 -3.252 -4.150 1.00 0.68 H new ATOM 0 HB ILE A 125 11.816 -4.111 -6.644 1.00 0.71 H new ATOM 0 HG12 ILE A 125 9.586 -4.697 -5.717 1.00 0.71 H new ATOM 0 HG13 ILE A 125 10.449 -6.090 -6.337 1.00 0.71 H new ATOM 0 HG21 ILE A 125 12.937 -6.241 -6.054 1.00 0.90 H new ATOM 0 HG22 ILE A 125 13.852 -4.818 -5.500 1.00 0.90 H new ATOM 0 HG23 ILE A 125 12.898 -5.769 -4.338 1.00 0.90 H new ATOM 0 HD11 ILE A 125 9.333 -6.618 -4.230 1.00 0.92 H new ATOM 0 HD12 ILE A 125 11.099 -6.726 -4.044 1.00 0.92 H new ATOM 0 HD13 ILE A 125 10.223 -5.311 -3.414 1.00 0.92 H new ATOM 1872 N ARG A 126 13.909 -2.775 -3.836 1.00 0.73 N ATOM 1873 CA ARG A 126 15.031 -2.866 -2.909 1.00 0.77 C ATOM 1874 C ARG A 126 14.992 -1.812 -1.805 1.00 0.77 C ATOM 1875 O ARG A 126 16.013 -1.539 -1.165 1.00 0.87 O ATOM 1876 CB ARG A 126 16.342 -2.769 -3.681 1.00 0.81 C ATOM 1877 CG ARG A 126 16.994 -4.114 -3.940 1.00 0.93 C ATOM 1878 CD ARG A 126 18.150 -3.981 -4.914 1.00 0.94 C ATOM 1879 NE ARG A 126 17.671 -3.780 -6.281 1.00 0.90 N ATOM 1880 CZ ARG A 126 17.811 -2.646 -6.972 1.00 0.83 C ATOM 1881 NH1 ARG A 126 18.432 -1.600 -6.439 1.00 0.81 N ATOM 1882 NH2 ARG A 126 17.327 -2.561 -8.204 1.00 0.89 N ATOM 0 H ARG A 126 14.082 -2.193 -4.655 1.00 0.73 H new ATOM 0 HA ARG A 126 14.954 -3.833 -2.412 1.00 0.77 H new ATOM 0 HB2 ARG A 126 16.157 -2.274 -4.635 1.00 0.81 H new ATOM 0 HB3 ARG A 126 17.036 -2.139 -3.125 1.00 0.81 H new ATOM 0 HG2 ARG A 126 17.352 -4.535 -3.001 1.00 0.93 H new ATOM 0 HG3 ARG A 126 16.255 -4.809 -4.340 1.00 0.93 H new ATOM 0 HD2 ARG A 126 18.781 -3.142 -4.620 1.00 0.94 H new ATOM 0 HD3 ARG A 126 18.770 -4.877 -4.871 1.00 0.94 H new ATOM 0 HE ARG A 126 17.198 -4.559 -6.738 1.00 0.90 H new ATOM 0 HH11 ARG A 126 18.808 -1.658 -5.493 1.00 0.81 H new ATOM 0 HH12 ARG A 126 18.533 -0.739 -6.976 1.00 0.81 H new ATOM 0 HH21 ARG A 126 16.850 -3.360 -8.621 1.00 0.89 H new ATOM 0 HH22 ARG A 126 17.432 -1.696 -8.735 1.00 0.89 H new ATOM 1896 N GLU A 127 13.827 -1.203 -1.568 1.00 0.76 N ATOM 1897 CA GLU A 127 13.712 -0.215 -0.521 1.00 0.77 C ATOM 1898 C GLU A 127 13.460 -0.914 0.814 1.00 0.74 C ATOM 1899 O GLU A 127 14.030 -0.547 1.845 1.00 0.75 O ATOM 1900 CB GLU A 127 12.611 0.826 -0.844 1.00 0.88 C ATOM 1901 CG GLU A 127 11.220 0.488 -0.326 1.00 0.97 C ATOM 1902 CD GLU A 127 10.481 -0.473 -1.225 1.00 1.39 C ATOM 1903 OE1 GLU A 127 10.821 -1.674 -1.213 1.00 2.04 O ATOM 1904 OE2 GLU A 127 9.572 -0.025 -1.946 1.00 1.87 O ATOM 0 H GLU A 127 12.967 -1.381 -2.086 1.00 0.76 H new ATOM 0 HA GLU A 127 14.649 0.338 -0.451 1.00 0.77 H new ATOM 0 HB2 GLU A 127 12.911 1.788 -0.428 1.00 0.88 H new ATOM 0 HB3 GLU A 127 12.557 0.949 -1.926 1.00 0.88 H new ATOM 0 HG2 GLU A 127 11.303 0.055 0.671 1.00 0.97 H new ATOM 0 HG3 GLU A 127 10.640 1.406 -0.228 1.00 0.97 H new ATOM 1911 N ALA A 128 12.623 -1.942 0.771 1.00 0.78 N ATOM 1912 CA ALA A 128 12.292 -2.722 1.950 1.00 0.82 C ATOM 1913 C ALA A 128 13.139 -3.981 2.031 1.00 0.74 C ATOM 1914 O ALA A 128 13.178 -4.651 3.062 1.00 0.76 O ATOM 1915 CB ALA A 128 10.818 -3.084 1.939 1.00 0.96 C ATOM 0 H ALA A 128 12.157 -2.256 -0.080 1.00 0.78 H new ATOM 0 HA ALA A 128 12.505 -2.114 2.829 1.00 0.82 H new ATOM 0 HB1 ALA A 128 10.580 -3.669 2.828 1.00 0.96 H new ATOM 0 HB2 ALA A 128 10.220 -2.173 1.934 1.00 0.96 H new ATOM 0 HB3 ALA A 128 10.594 -3.670 1.048 1.00 0.96 H new ATOM 1921 N ASP A 129 13.817 -4.301 0.938 1.00 0.71 N ATOM 1922 CA ASP A 129 14.656 -5.485 0.895 1.00 0.68 C ATOM 1923 C ASP A 129 15.973 -5.235 1.621 1.00 0.71 C ATOM 1924 O ASP A 129 16.855 -4.533 1.119 1.00 0.78 O ATOM 1925 CB ASP A 129 14.914 -5.913 -0.550 1.00 0.69 C ATOM 1926 CG ASP A 129 14.870 -7.419 -0.707 1.00 0.71 C ATOM 1927 OD1 ASP A 129 13.851 -8.027 -0.319 1.00 0.87 O ATOM 1928 OD2 ASP A 129 15.853 -8.006 -1.202 1.00 0.76 O ATOM 0 H ASP A 129 13.802 -3.759 0.074 1.00 0.71 H new ATOM 0 HA ASP A 129 14.130 -6.294 1.403 1.00 0.68 H new ATOM 0 HB2 ASP A 129 14.169 -5.458 -1.202 1.00 0.69 H new ATOM 0 HB3 ASP A 129 15.888 -5.542 -0.871 1.00 0.69 H new ATOM 1933 N ILE A 130 16.091 -5.799 2.816 1.00 0.74 N ATOM 1934 CA ILE A 130 17.293 -5.640 3.631 1.00 0.81 C ATOM 1935 C ILE A 130 18.073 -6.951 3.694 1.00 0.84 C ATOM 1936 O ILE A 130 19.143 -7.032 4.298 1.00 0.92 O ATOM 1937 CB ILE A 130 16.959 -5.182 5.073 1.00 0.88 C ATOM 1938 CG1 ILE A 130 15.769 -4.208 5.093 1.00 0.86 C ATOM 1939 CG2 ILE A 130 18.178 -4.532 5.713 1.00 1.01 C ATOM 1940 CD1 ILE A 130 16.068 -2.853 4.485 1.00 0.88 C ATOM 0 H ILE A 130 15.366 -6.374 3.246 1.00 0.74 H new ATOM 0 HA ILE A 130 17.899 -4.868 3.156 1.00 0.81 H new ATOM 0 HB ILE A 130 16.679 -6.065 5.647 1.00 0.88 H new ATOM 0 HG12 ILE A 130 14.935 -4.659 4.556 1.00 0.86 H new ATOM 0 HG13 ILE A 130 15.445 -4.068 6.124 1.00 0.86 H new ATOM 0 HG21 ILE A 130 17.931 -4.214 6.726 1.00 1.01 H new ATOM 0 HG22 ILE A 130 18.997 -5.250 5.747 1.00 1.01 H new ATOM 0 HG23 ILE A 130 18.480 -3.666 5.124 1.00 1.01 H new ATOM 0 HD11 ILE A 130 15.178 -2.226 4.538 1.00 0.88 H new ATOM 0 HD12 ILE A 130 16.880 -2.378 5.036 1.00 0.88 H new ATOM 0 HD13 ILE A 130 16.362 -2.979 3.443 1.00 0.88 H new ATOM 1952 N ASP A 131 17.535 -7.974 3.062 1.00 0.83 N ATOM 1953 CA ASP A 131 18.175 -9.289 3.054 1.00 0.87 C ATOM 1954 C ASP A 131 18.859 -9.569 1.714 1.00 0.89 C ATOM 1955 O ASP A 131 19.841 -10.313 1.659 1.00 0.98 O ATOM 1956 CB ASP A 131 17.163 -10.389 3.407 1.00 0.88 C ATOM 1957 CG ASP A 131 15.942 -10.407 2.508 1.00 0.84 C ATOM 1958 OD1 ASP A 131 15.831 -9.543 1.620 1.00 1.02 O ATOM 1959 OD2 ASP A 131 15.057 -11.269 2.701 1.00 0.88 O ATOM 0 H ASP A 131 16.657 -7.928 2.545 1.00 0.83 H new ATOM 0 HA ASP A 131 18.951 -9.289 3.819 1.00 0.87 H new ATOM 0 HB2 ASP A 131 17.659 -11.358 3.350 1.00 0.88 H new ATOM 0 HB3 ASP A 131 16.841 -10.256 4.440 1.00 0.88 H new ATOM 1964 N GLY A 132 18.348 -8.979 0.640 1.00 0.87 N ATOM 1965 CA GLY A 132 18.953 -9.167 -0.664 1.00 0.92 C ATOM 1966 C GLY A 132 18.397 -10.367 -1.396 1.00 0.92 C ATOM 1967 O GLY A 132 19.154 -11.186 -1.920 1.00 0.94 O ATOM 0 H GLY A 132 17.526 -8.375 0.649 1.00 0.87 H new ATOM 0 HA2 GLY A 132 18.794 -8.273 -1.267 1.00 0.92 H new ATOM 0 HA3 GLY A 132 20.030 -9.285 -0.547 1.00 0.92 H new ATOM 1971 N ASP A 133 17.078 -10.478 -1.441 1.00 0.94 N ATOM 1972 CA ASP A 133 16.434 -11.597 -2.118 1.00 0.94 C ATOM 1973 C ASP A 133 15.406 -11.113 -3.140 1.00 0.89 C ATOM 1974 O ASP A 133 14.941 -11.887 -3.978 1.00 0.95 O ATOM 1975 CB ASP A 133 15.788 -12.565 -1.111 1.00 0.91 C ATOM 1976 CG ASP A 133 14.502 -12.054 -0.482 1.00 0.84 C ATOM 1977 OD1 ASP A 133 14.299 -10.826 -0.411 1.00 0.79 O ATOM 1978 OD2 ASP A 133 13.690 -12.890 -0.036 1.00 0.95 O ATOM 0 H ASP A 133 16.433 -9.810 -1.019 1.00 0.94 H new ATOM 0 HA ASP A 133 17.211 -12.141 -2.655 1.00 0.94 H new ATOM 0 HB2 ASP A 133 15.581 -13.509 -1.615 1.00 0.91 H new ATOM 0 HB3 ASP A 133 16.506 -12.777 -0.319 1.00 0.91 H new ATOM 1983 N GLY A 134 15.068 -9.832 -3.081 1.00 0.84 N ATOM 1984 CA GLY A 134 14.105 -9.267 -4.015 1.00 0.84 C ATOM 1985 C GLY A 134 12.665 -9.583 -3.648 1.00 0.74 C ATOM 1986 O GLY A 134 11.753 -9.418 -4.464 1.00 0.78 O ATOM 0 H GLY A 134 15.443 -9.170 -2.402 1.00 0.84 H new ATOM 0 HA2 GLY A 134 14.235 -8.185 -4.053 1.00 0.84 H new ATOM 0 HA3 GLY A 134 14.311 -9.648 -5.015 1.00 0.84 H new ATOM 1990 N GLN A 135 12.460 -10.058 -2.428 1.00 0.69 N ATOM 1991 CA GLN A 135 11.128 -10.403 -1.947 1.00 0.65 C ATOM 1992 C GLN A 135 10.882 -9.742 -0.600 1.00 0.63 C ATOM 1993 O GLN A 135 11.536 -10.067 0.394 1.00 0.73 O ATOM 1994 CB GLN A 135 10.962 -11.925 -1.837 1.00 0.68 C ATOM 1995 CG GLN A 135 11.267 -12.659 -3.132 1.00 0.77 C ATOM 1996 CD GLN A 135 11.447 -14.153 -2.951 1.00 0.88 C ATOM 1997 OE1 GLN A 135 10.809 -14.777 -2.101 1.00 1.26 O ATOM 1998 NE2 GLN A 135 12.330 -14.734 -3.751 1.00 1.23 N ATOM 0 H GLN A 135 13.204 -10.214 -1.748 1.00 0.69 H new ATOM 0 HA GLN A 135 10.393 -10.037 -2.664 1.00 0.65 H new ATOM 0 HB2 GLN A 135 11.619 -12.299 -1.052 1.00 0.68 H new ATOM 0 HB3 GLN A 135 9.940 -12.151 -1.532 1.00 0.68 H new ATOM 0 HG2 GLN A 135 10.458 -12.482 -3.840 1.00 0.77 H new ATOM 0 HG3 GLN A 135 12.173 -12.242 -3.572 1.00 0.77 H new ATOM 0 HE21 GLN A 135 12.836 -14.179 -4.441 1.00 1.23 H new ATOM 0 HE22 GLN A 135 12.503 -15.736 -3.677 1.00 1.23 H new ATOM 2007 N VAL A 136 9.946 -8.806 -0.571 1.00 0.60 N ATOM 2008 CA VAL A 136 9.620 -8.077 0.646 1.00 0.59 C ATOM 2009 C VAL A 136 8.682 -8.899 1.524 1.00 0.58 C ATOM 2010 O VAL A 136 7.503 -9.060 1.205 1.00 0.61 O ATOM 2011 CB VAL A 136 8.956 -6.712 0.337 1.00 0.60 C ATOM 2012 CG1 VAL A 136 8.604 -5.982 1.621 1.00 0.59 C ATOM 2013 CG2 VAL A 136 9.852 -5.837 -0.532 1.00 0.69 C ATOM 0 H VAL A 136 9.394 -8.531 -1.384 1.00 0.60 H new ATOM 0 HA VAL A 136 10.557 -7.896 1.172 1.00 0.59 H new ATOM 0 HB VAL A 136 8.040 -6.915 -0.218 1.00 0.60 H new ATOM 0 HG11 VAL A 136 8.139 -5.026 1.380 1.00 0.59 H new ATOM 0 HG12 VAL A 136 7.910 -6.587 2.205 1.00 0.59 H new ATOM 0 HG13 VAL A 136 9.510 -5.809 2.201 1.00 0.59 H new ATOM 0 HG21 VAL A 136 9.354 -4.888 -0.728 1.00 0.69 H new ATOM 0 HG22 VAL A 136 10.793 -5.652 -0.014 1.00 0.69 H new ATOM 0 HG23 VAL A 136 10.051 -6.344 -1.476 1.00 0.69 H new ATOM 2023 N ASN A 137 9.207 -9.436 2.618 1.00 0.58 N ATOM 2024 CA ASN A 137 8.392 -10.227 3.530 1.00 0.59 C ATOM 2025 C ASN A 137 7.669 -9.330 4.530 1.00 0.59 C ATOM 2026 O ASN A 137 7.818 -8.109 4.498 1.00 0.59 O ATOM 2027 CB ASN A 137 9.222 -11.292 4.265 1.00 0.61 C ATOM 2028 CG ASN A 137 10.394 -10.730 5.053 1.00 0.63 C ATOM 2029 OD1 ASN A 137 10.231 -9.853 5.900 1.00 0.97 O ATOM 2030 ND2 ASN A 137 11.586 -11.240 4.780 1.00 0.86 N ATOM 0 H ASN A 137 10.184 -9.340 2.893 1.00 0.58 H new ATOM 0 HA ASN A 137 7.648 -10.748 2.927 1.00 0.59 H new ATOM 0 HB2 ASN A 137 8.570 -11.840 4.945 1.00 0.61 H new ATOM 0 HB3 ASN A 137 9.599 -12.010 3.537 1.00 0.61 H new ATOM 0 HD21 ASN A 137 12.410 -10.906 5.280 1.00 0.86 H new ATOM 0 HD22 ASN A 137 11.679 -11.966 4.070 1.00 0.86 H new ATOM 2037 N TYR A 138 6.888 -9.954 5.411 1.00 0.61 N ATOM 2038 CA TYR A 138 6.119 -9.239 6.427 1.00 0.63 C ATOM 2039 C TYR A 138 7.007 -8.305 7.246 1.00 0.63 C ATOM 2040 O TYR A 138 6.747 -7.106 7.326 1.00 0.65 O ATOM 2041 CB TYR A 138 5.423 -10.242 7.351 1.00 0.67 C ATOM 2042 CG TYR A 138 3.999 -9.866 7.712 1.00 0.72 C ATOM 2043 CD1 TYR A 138 2.970 -9.991 6.789 1.00 0.90 C ATOM 2044 CD2 TYR A 138 3.684 -9.397 8.982 1.00 0.89 C ATOM 2045 CE1 TYR A 138 1.668 -9.660 7.121 1.00 1.10 C ATOM 2046 CE2 TYR A 138 2.385 -9.062 9.321 1.00 1.04 C ATOM 2047 CZ TYR A 138 1.383 -9.194 8.389 1.00 1.10 C ATOM 2048 OH TYR A 138 0.089 -8.866 8.724 1.00 1.35 O ATOM 0 H TYR A 138 6.771 -10.967 5.440 1.00 0.61 H new ATOM 0 HA TYR A 138 5.372 -8.630 5.919 1.00 0.63 H new ATOM 0 HB2 TYR A 138 5.418 -11.220 6.870 1.00 0.67 H new ATOM 0 HB3 TYR A 138 6.005 -10.340 8.267 1.00 0.67 H new ATOM 0 HD1 TYR A 138 3.189 -10.353 5.795 1.00 0.90 H new ATOM 0 HD2 TYR A 138 4.468 -9.292 9.718 1.00 0.89 H new ATOM 0 HE1 TYR A 138 0.879 -9.766 6.392 1.00 1.10 H new ATOM 0 HE2 TYR A 138 2.159 -8.699 10.313 1.00 1.04 H new ATOM 0 HH TYR A 138 0.060 -8.556 9.653 1.00 1.35 H new ATOM 2058 N GLU A 139 8.059 -8.861 7.839 1.00 0.64 N ATOM 2059 CA GLU A 139 8.999 -8.096 8.658 1.00 0.66 C ATOM 2060 C GLU A 139 9.539 -6.883 7.913 1.00 0.62 C ATOM 2061 O GLU A 139 9.561 -5.777 8.448 1.00 0.60 O ATOM 2062 CB GLU A 139 10.169 -8.983 9.081 1.00 0.72 C ATOM 2063 CG GLU A 139 9.879 -9.839 10.296 1.00 1.39 C ATOM 2064 CD GLU A 139 8.779 -10.854 10.054 1.00 1.99 C ATOM 2065 OE1 GLU A 139 8.667 -11.355 8.919 1.00 2.39 O ATOM 2066 OE2 GLU A 139 8.017 -11.145 10.998 1.00 2.60 O ATOM 0 H GLU A 139 8.285 -9.853 7.767 1.00 0.64 H new ATOM 0 HA GLU A 139 8.456 -7.747 9.536 1.00 0.66 H new ATOM 0 HB2 GLU A 139 10.441 -9.631 8.248 1.00 0.72 H new ATOM 0 HB3 GLU A 139 11.033 -8.353 9.290 1.00 0.72 H new ATOM 0 HG2 GLU A 139 10.789 -10.361 10.592 1.00 1.39 H new ATOM 0 HG3 GLU A 139 9.595 -9.195 11.129 1.00 1.39 H new ATOM 2073 N GLU A 140 9.965 -7.103 6.682 1.00 0.61 N ATOM 2074 CA GLU A 140 10.515 -6.035 5.855 1.00 0.59 C ATOM 2075 C GLU A 140 9.459 -4.971 5.546 1.00 0.55 C ATOM 2076 O GLU A 140 9.755 -3.778 5.552 1.00 0.55 O ATOM 2077 CB GLU A 140 11.077 -6.617 4.554 1.00 0.60 C ATOM 2078 CG GLU A 140 12.385 -7.385 4.731 1.00 0.63 C ATOM 2079 CD GLU A 140 12.828 -8.088 3.460 1.00 0.62 C ATOM 2080 OE1 GLU A 140 12.063 -8.916 2.919 1.00 0.63 O ATOM 2081 OE2 GLU A 140 13.951 -7.835 2.984 1.00 0.66 O ATOM 0 H GLU A 140 9.942 -8.016 6.228 1.00 0.61 H new ATOM 0 HA GLU A 140 11.320 -5.555 6.412 1.00 0.59 H new ATOM 0 HB2 GLU A 140 10.334 -7.282 4.115 1.00 0.60 H new ATOM 0 HB3 GLU A 140 11.237 -5.805 3.844 1.00 0.60 H new ATOM 0 HG2 GLU A 140 13.166 -6.695 5.051 1.00 0.63 H new ATOM 0 HG3 GLU A 140 12.265 -8.121 5.526 1.00 0.63 H new ATOM 2088 N PHE A 141 8.224 -5.404 5.313 1.00 0.55 N ATOM 2089 CA PHE A 141 7.138 -4.486 4.992 1.00 0.54 C ATOM 2090 C PHE A 141 6.731 -3.683 6.229 1.00 0.55 C ATOM 2091 O PHE A 141 6.493 -2.481 6.147 1.00 0.56 O ATOM 2092 CB PHE A 141 5.938 -5.259 4.423 1.00 0.62 C ATOM 2093 CG PHE A 141 5.014 -4.430 3.563 1.00 0.62 C ATOM 2094 CD1 PHE A 141 5.501 -3.698 2.490 1.00 0.59 C ATOM 2095 CD2 PHE A 141 3.655 -4.387 3.835 1.00 0.80 C ATOM 2096 CE1 PHE A 141 4.646 -2.943 1.705 1.00 0.68 C ATOM 2097 CE2 PHE A 141 2.797 -3.634 3.053 1.00 0.88 C ATOM 2098 CZ PHE A 141 3.296 -2.910 1.989 1.00 0.79 C ATOM 0 H PHE A 141 7.951 -6.386 5.341 1.00 0.55 H new ATOM 0 HA PHE A 141 7.486 -3.785 4.233 1.00 0.54 H new ATOM 0 HB2 PHE A 141 6.308 -6.098 3.834 1.00 0.62 H new ATOM 0 HB3 PHE A 141 5.366 -5.678 5.251 1.00 0.62 H new ATOM 0 HD1 PHE A 141 6.557 -3.717 2.265 1.00 0.59 H new ATOM 0 HD2 PHE A 141 3.261 -4.949 4.669 1.00 0.80 H new ATOM 0 HE1 PHE A 141 5.036 -2.380 0.870 1.00 0.68 H new ATOM 0 HE2 PHE A 141 1.740 -3.613 3.274 1.00 0.88 H new ATOM 0 HZ PHE A 141 2.630 -2.318 1.379 1.00 0.79 H new ATOM 2108 N VAL A 142 6.653 -4.356 7.369 1.00 0.57 N ATOM 2109 CA VAL A 142 6.295 -3.706 8.630 1.00 0.60 C ATOM 2110 C VAL A 142 7.370 -2.725 9.079 1.00 0.59 C ATOM 2111 O VAL A 142 7.074 -1.571 9.398 1.00 0.58 O ATOM 2112 CB VAL A 142 6.044 -4.745 9.745 1.00 0.65 C ATOM 2113 CG1 VAL A 142 5.757 -4.059 11.073 1.00 0.70 C ATOM 2114 CG2 VAL A 142 4.896 -5.673 9.367 1.00 0.66 C ATOM 0 H VAL A 142 6.833 -5.357 7.450 1.00 0.57 H new ATOM 0 HA VAL A 142 5.373 -3.153 8.449 1.00 0.60 H new ATOM 0 HB VAL A 142 6.949 -5.342 9.858 1.00 0.65 H new ATOM 0 HG11 VAL A 142 5.584 -4.812 11.842 1.00 0.70 H new ATOM 0 HG12 VAL A 142 6.610 -3.442 11.355 1.00 0.70 H new ATOM 0 HG13 VAL A 142 4.872 -3.431 10.974 1.00 0.70 H new ATOM 0 HG21 VAL A 142 4.736 -6.397 10.166 1.00 0.66 H new ATOM 0 HG22 VAL A 142 3.988 -5.088 9.220 1.00 0.66 H new ATOM 0 HG23 VAL A 142 5.142 -6.199 8.444 1.00 0.66 H new ATOM 2124 N GLN A 143 8.624 -3.171 9.074 1.00 0.61 N ATOM 2125 CA GLN A 143 9.746 -2.317 9.482 1.00 0.62 C ATOM 2126 C GLN A 143 9.944 -1.153 8.512 1.00 0.59 C ATOM 2127 O GLN A 143 10.782 -0.281 8.735 1.00 0.69 O ATOM 2128 CB GLN A 143 11.039 -3.132 9.579 1.00 0.72 C ATOM 2129 CG GLN A 143 11.073 -4.060 10.783 1.00 1.03 C ATOM 2130 CD GLN A 143 12.364 -4.860 10.887 1.00 1.17 C ATOM 2131 OE1 GLN A 143 12.865 -5.112 11.985 1.00 1.50 O ATOM 2132 NE2 GLN A 143 12.897 -5.287 9.752 1.00 1.47 N ATOM 0 H GLN A 143 8.892 -4.114 8.794 1.00 0.61 H new ATOM 0 HA GLN A 143 9.504 -1.910 10.464 1.00 0.62 H new ATOM 0 HB2 GLN A 143 11.158 -3.722 8.670 1.00 0.72 H new ATOM 0 HB3 GLN A 143 11.888 -2.450 9.630 1.00 0.72 H new ATOM 0 HG2 GLN A 143 10.944 -3.471 11.691 1.00 1.03 H new ATOM 0 HG3 GLN A 143 10.230 -4.749 10.727 1.00 1.03 H new ATOM 0 HE21 GLN A 143 12.453 -5.058 8.862 1.00 1.47 H new ATOM 0 HE22 GLN A 143 13.751 -5.845 9.768 1.00 1.47 H new ATOM 2141 N MET A 144 9.172 -1.148 7.440 1.00 0.57 N ATOM 2142 CA MET A 144 9.260 -0.100 6.439 1.00 0.62 C ATOM 2143 C MET A 144 8.014 0.787 6.444 1.00 0.62 C ATOM 2144 O MET A 144 8.108 2.002 6.276 1.00 0.70 O ATOM 2145 CB MET A 144 9.458 -0.734 5.066 1.00 0.72 C ATOM 2146 CG MET A 144 10.713 -0.264 4.356 1.00 0.84 C ATOM 2147 SD MET A 144 10.448 1.251 3.424 1.00 0.89 S ATOM 2148 CE MET A 144 9.153 0.729 2.300 1.00 0.88 C ATOM 0 H MET A 144 8.473 -1.863 7.240 1.00 0.57 H new ATOM 0 HA MET A 144 10.112 0.537 6.676 1.00 0.62 H new ATOM 0 HB2 MET A 144 9.498 -1.818 5.178 1.00 0.72 H new ATOM 0 HB3 MET A 144 8.592 -0.509 4.443 1.00 0.72 H new ATOM 0 HG2 MET A 144 11.503 -0.102 5.089 1.00 0.84 H new ATOM 0 HG3 MET A 144 11.060 -1.046 3.681 1.00 0.84 H new ATOM 0 HE1 MET A 144 9.120 1.403 1.444 1.00 0.88 H new ATOM 0 HE2 MET A 144 9.357 -0.285 1.956 1.00 0.88 H new ATOM 0 HE3 MET A 144 8.193 0.751 2.816 1.00 0.88 H new ATOM 2158 N MET A 145 6.849 0.177 6.643 1.00 0.62 N ATOM 2159 CA MET A 145 5.591 0.917 6.659 1.00 0.70 C ATOM 2160 C MET A 145 5.365 1.592 8.008 1.00 0.69 C ATOM 2161 O MET A 145 5.050 2.780 8.070 1.00 0.74 O ATOM 2162 CB MET A 145 4.414 -0.015 6.343 1.00 0.81 C ATOM 2163 CG MET A 145 4.308 -0.393 4.873 1.00 1.05 C ATOM 2164 SD MET A 145 2.778 0.173 4.097 1.00 0.94 S ATOM 2165 CE MET A 145 2.783 1.905 4.549 1.00 1.47 C ATOM 0 H MET A 145 6.750 -0.827 6.795 1.00 0.62 H new ATOM 0 HA MET A 145 5.652 1.689 5.892 1.00 0.70 H new ATOM 0 HB2 MET A 145 4.513 -0.924 6.936 1.00 0.81 H new ATOM 0 HB3 MET A 145 3.487 0.468 6.652 1.00 0.81 H new ATOM 0 HG2 MET A 145 5.157 0.028 4.335 1.00 1.05 H new ATOM 0 HG3 MET A 145 4.376 -1.477 4.778 1.00 1.05 H new ATOM 0 HE1 MET A 145 1.925 2.402 4.096 1.00 1.47 H new ATOM 0 HE2 MET A 145 2.725 1.998 5.633 1.00 1.47 H new ATOM 0 HE3 MET A 145 3.702 2.371 4.193 1.00 1.47 H new ATOM 2175 N THR A 146 5.542 0.836 9.084 1.00 0.68 N ATOM 2176 CA THR A 146 5.343 1.353 10.428 1.00 0.74 C ATOM 2177 C THR A 146 6.489 2.275 10.839 1.00 0.81 C ATOM 2178 O THR A 146 6.298 3.233 11.592 1.00 0.94 O ATOM 2179 CB THR A 146 5.221 0.195 11.439 1.00 0.89 C ATOM 2180 OG1 THR A 146 4.458 -0.871 10.858 1.00 0.93 O ATOM 2181 CG2 THR A 146 4.555 0.652 12.728 1.00 1.07 C ATOM 0 H THR A 146 5.825 -0.143 9.049 1.00 0.68 H new ATOM 0 HA THR A 146 4.418 1.929 10.428 1.00 0.74 H new ATOM 0 HB THR A 146 6.226 -0.152 11.680 1.00 0.89 H new ATOM 0 HG1 THR A 146 3.502 -0.671 10.938 1.00 0.93 H new ATOM 0 HG21 THR A 146 4.485 -0.188 13.419 1.00 1.07 H new ATOM 0 HG22 THR A 146 5.148 1.446 13.182 1.00 1.07 H new ATOM 0 HG23 THR A 146 3.555 1.026 12.508 1.00 1.07 H new ATOM 2189 N ALA A 147 7.681 1.981 10.341 1.00 0.91 N ATOM 2190 CA ALA A 147 8.855 2.786 10.651 1.00 1.05 C ATOM 2191 C ALA A 147 9.240 3.658 9.464 1.00 1.22 C ATOM 2192 O ALA A 147 8.367 4.175 8.764 1.00 1.28 O ATOM 2193 CB ALA A 147 10.021 1.900 11.062 1.00 1.33 C ATOM 0 H ALA A 147 7.862 1.192 9.721 1.00 0.91 H new ATOM 0 HA ALA A 147 8.607 3.438 11.489 1.00 1.05 H new ATOM 0 HB1 ALA A 147 10.887 2.521 11.289 1.00 1.33 H new ATOM 0 HB2 ALA A 147 9.746 1.323 11.945 1.00 1.33 H new ATOM 0 HB3 ALA A 147 10.266 1.220 10.246 1.00 1.33 H new ATOM 2200 N MET B 1 -11.285 -1.390 0.370 1.00 1.22 N ATOM 2201 CA MET B 1 -9.985 -0.980 0.960 1.00 0.87 C ATOM 2202 C MET B 1 -9.041 -0.541 -0.148 1.00 0.74 C ATOM 2203 O MET B 1 -7.896 -0.191 0.093 1.00 0.83 O ATOM 2204 CB MET B 1 -9.369 -2.101 1.806 1.00 1.06 C ATOM 2205 CG MET B 1 -8.545 -1.591 2.986 1.00 1.77 C ATOM 2206 SD MET B 1 -9.558 -1.024 4.366 1.00 2.30 S ATOM 2207 CE MET B 1 -8.364 -1.026 5.709 1.00 2.55 C ATOM 0 H1 MET B 1 -11.963 -1.593 1.132 1.00 1.22 H new ATOM 0 H2 MET B 1 -11.653 -0.622 -0.226 1.00 1.22 H new ATOM 0 H3 MET B 1 -11.150 -2.243 -0.209 1.00 1.22 H new ATOM 0 HA MET B 1 -10.157 -0.139 1.632 1.00 0.87 H new ATOM 0 HB2 MET B 1 -10.166 -2.743 2.180 1.00 1.06 H new ATOM 0 HB3 MET B 1 -8.735 -2.719 1.170 1.00 1.06 H new ATOM 0 HG2 MET B 1 -7.885 -2.387 3.331 1.00 1.77 H new ATOM 0 HG3 MET B 1 -7.909 -0.772 2.650 1.00 1.77 H new ATOM 0 HE1 MET B 1 -8.782 -0.501 6.568 1.00 2.55 H new ATOM 0 HE2 MET B 1 -8.133 -2.054 5.989 1.00 2.55 H new ATOM 0 HE3 MET B 1 -7.452 -0.524 5.386 1.00 2.55 H new ATOM 2219 N ASP B 2 -9.539 -0.636 -1.366 1.00 0.76 N ATOM 2220 CA ASP B 2 -8.814 -0.274 -2.578 1.00 0.78 C ATOM 2221 C ASP B 2 -8.185 1.114 -2.469 1.00 0.70 C ATOM 2222 O ASP B 2 -6.972 1.270 -2.598 1.00 0.70 O ATOM 2223 CB ASP B 2 -9.788 -0.309 -3.759 1.00 0.98 C ATOM 2224 CG ASP B 2 -10.977 -1.239 -3.521 1.00 1.25 C ATOM 2225 OD1 ASP B 2 -11.723 -1.027 -2.525 1.00 1.67 O ATOM 2226 OD2 ASP B 2 -11.164 -2.180 -4.312 1.00 1.88 O ATOM 0 H ASP B 2 -10.483 -0.975 -1.549 1.00 0.76 H new ATOM 0 HA ASP B 2 -8.005 -0.989 -2.725 1.00 0.78 H new ATOM 0 HB2 ASP B 2 -10.155 0.699 -3.951 1.00 0.98 H new ATOM 0 HB3 ASP B 2 -9.255 -0.630 -4.654 1.00 0.98 H new ATOM 2231 N CYS B 3 -9.017 2.107 -2.207 1.00 0.64 N ATOM 2232 CA CYS B 3 -8.556 3.486 -2.082 1.00 0.57 C ATOM 2233 C CYS B 3 -7.531 3.636 -0.940 1.00 0.57 C ATOM 2234 O CYS B 3 -6.587 4.420 -1.043 1.00 0.59 O ATOM 2235 CB CYS B 3 -9.759 4.434 -1.912 1.00 0.51 C ATOM 2236 SG CYS B 3 -10.987 4.358 -3.273 1.00 0.42 S ATOM 0 H CYS B 3 -10.021 1.987 -2.075 1.00 0.64 H new ATOM 0 HA CYS B 3 -8.038 3.765 -3.000 1.00 0.57 H new ATOM 0 HB2 CYS B 3 -10.261 4.199 -0.973 1.00 0.51 H new ATOM 0 HB3 CYS B 3 -9.391 5.456 -1.829 1.00 0.51 H new ATOM 0 HG CYS B 3 -10.397 4.608 -4.404 1.00 0.42 H new ATOM 2242 N LEU B 4 -7.691 2.847 0.115 1.00 0.59 N ATOM 2243 CA LEU B 4 -6.780 2.891 1.264 1.00 0.61 C ATOM 2244 C LEU B 4 -5.473 2.174 0.944 1.00 0.57 C ATOM 2245 O LEU B 4 -4.411 2.654 1.316 1.00 0.56 O ATOM 2246 CB LEU B 4 -7.465 2.280 2.493 1.00 0.67 C ATOM 2247 CG LEU B 4 -6.836 2.636 3.848 1.00 0.90 C ATOM 2248 CD1 LEU B 4 -6.194 4.017 3.808 1.00 1.09 C ATOM 2249 CD2 LEU B 4 -7.872 2.567 4.959 1.00 1.25 C ATOM 0 H LEU B 4 -8.444 2.165 0.204 1.00 0.59 H new ATOM 0 HA LEU B 4 -6.537 3.930 1.486 1.00 0.61 H new ATOM 0 HB2 LEU B 4 -8.507 2.598 2.502 1.00 0.67 H new ATOM 0 HB3 LEU B 4 -7.464 1.195 2.386 1.00 0.67 H new ATOM 0 HG LEU B 4 -6.056 1.903 4.055 1.00 0.90 H new ATOM 0 HD11 LEU B 4 -5.757 4.243 4.780 1.00 1.09 H new ATOM 0 HD12 LEU B 4 -5.414 4.034 3.047 1.00 1.09 H new ATOM 0 HD13 LEU B 4 -6.951 4.763 3.568 1.00 1.09 H new ATOM 0 HD21 LEU B 4 -7.404 2.823 5.909 1.00 1.25 H new ATOM 0 HD22 LEU B 4 -8.677 3.271 4.750 1.00 1.25 H new ATOM 0 HD23 LEU B 4 -8.279 1.557 5.015 1.00 1.25 H new ATOM 2261 N CYS B 5 -5.533 1.051 0.233 1.00 0.58 N ATOM 2262 CA CYS B 5 -4.302 0.341 -0.128 1.00 0.57 C ATOM 2263 C CYS B 5 -3.503 1.206 -1.080 1.00 0.59 C ATOM 2264 O CYS B 5 -2.291 1.066 -1.184 1.00 0.61 O ATOM 2265 CB CYS B 5 -4.566 -1.050 -0.732 1.00 0.61 C ATOM 2266 SG CYS B 5 -5.219 -1.072 -2.422 1.00 0.60 S ATOM 0 H CYS B 5 -6.395 0.619 -0.099 1.00 0.58 H new ATOM 0 HA CYS B 5 -3.733 0.162 0.784 1.00 0.57 H new ATOM 0 HB2 CYS B 5 -3.633 -1.614 -0.717 1.00 0.61 H new ATOM 0 HB3 CYS B 5 -5.268 -1.577 -0.086 1.00 0.61 H new ATOM 0 HG CYS B 5 -5.749 0.082 -2.697 1.00 0.60 H new ATOM 2272 N ILE B 6 -4.190 2.113 -1.772 1.00 0.59 N ATOM 2273 CA ILE B 6 -3.502 3.040 -2.642 1.00 0.61 C ATOM 2274 C ILE B 6 -2.711 3.990 -1.752 1.00 0.58 C ATOM 2275 O ILE B 6 -1.551 4.286 -2.025 1.00 0.60 O ATOM 2276 CB ILE B 6 -4.467 3.828 -3.568 1.00 0.60 C ATOM 2277 CG1 ILE B 6 -4.675 3.074 -4.901 1.00 0.61 C ATOM 2278 CG2 ILE B 6 -3.940 5.239 -3.815 1.00 0.62 C ATOM 2279 CD1 ILE B 6 -4.975 3.973 -6.083 1.00 0.53 C ATOM 0 H ILE B 6 -5.204 2.219 -1.743 1.00 0.59 H new ATOM 0 HA ILE B 6 -2.846 2.484 -3.311 1.00 0.61 H new ATOM 0 HB ILE B 6 -5.434 3.911 -3.071 1.00 0.60 H new ATOM 0 HG12 ILE B 6 -3.780 2.492 -5.120 1.00 0.61 H new ATOM 0 HG13 ILE B 6 -5.494 2.365 -4.781 1.00 0.61 H new ATOM 0 HG21 ILE B 6 -4.630 5.776 -4.466 1.00 0.62 H new ATOM 0 HG22 ILE B 6 -3.853 5.766 -2.865 1.00 0.62 H new ATOM 0 HG23 ILE B 6 -2.961 5.184 -4.290 1.00 0.62 H new ATOM 0 HD11 ILE B 6 -5.107 3.365 -6.978 1.00 0.53 H new ATOM 0 HD12 ILE B 6 -5.888 4.537 -5.889 1.00 0.53 H new ATOM 0 HD13 ILE B 6 -4.146 4.665 -6.233 1.00 0.53 H new ATOM 2291 N VAL B 7 -3.348 4.433 -0.663 1.00 0.54 N ATOM 2292 CA VAL B 7 -2.707 5.315 0.312 1.00 0.51 C ATOM 2293 C VAL B 7 -1.503 4.606 0.933 1.00 0.52 C ATOM 2294 O VAL B 7 -0.441 5.204 1.127 1.00 0.57 O ATOM 2295 CB VAL B 7 -3.698 5.766 1.431 1.00 0.48 C ATOM 2296 CG1 VAL B 7 -3.091 6.879 2.274 1.00 0.46 C ATOM 2297 CG2 VAL B 7 -5.008 6.228 0.820 1.00 0.56 C ATOM 0 H VAL B 7 -4.313 4.192 -0.436 1.00 0.54 H new ATOM 0 HA VAL B 7 -2.378 6.211 -0.214 1.00 0.51 H new ATOM 0 HB VAL B 7 -3.893 4.911 2.079 1.00 0.48 H new ATOM 0 HG11 VAL B 7 -3.799 7.177 3.047 1.00 0.46 H new ATOM 0 HG12 VAL B 7 -2.173 6.522 2.741 1.00 0.46 H new ATOM 0 HG13 VAL B 7 -2.866 7.735 1.638 1.00 0.46 H new ATOM 0 HG21 VAL B 7 -5.689 6.539 1.612 1.00 0.56 H new ATOM 0 HG22 VAL B 7 -4.821 7.068 0.151 1.00 0.56 H new ATOM 0 HG23 VAL B 7 -5.456 5.409 0.258 1.00 0.56 H new ATOM 2307 N THR B 8 -1.670 3.318 1.213 1.00 0.51 N ATOM 2308 CA THR B 8 -0.595 2.513 1.772 1.00 0.52 C ATOM 2309 C THR B 8 0.518 2.343 0.744 1.00 0.58 C ATOM 2310 O THR B 8 1.698 2.508 1.061 1.00 0.62 O ATOM 2311 CB THR B 8 -1.111 1.122 2.221 1.00 0.53 C ATOM 2312 OG1 THR B 8 -2.462 1.239 2.672 1.00 0.58 O ATOM 2313 CG2 THR B 8 -0.253 0.561 3.350 1.00 0.63 C ATOM 0 H THR B 8 -2.542 2.810 1.061 1.00 0.51 H new ATOM 0 HA THR B 8 -0.206 3.032 2.648 1.00 0.52 H new ATOM 0 HB THR B 8 -1.056 0.443 1.370 1.00 0.53 H new ATOM 0 HG1 THR B 8 -2.834 0.346 2.827 1.00 0.58 H new ATOM 0 HG21 THR B 8 -0.636 -0.415 3.647 1.00 0.63 H new ATOM 0 HG22 THR B 8 0.777 0.458 3.008 1.00 0.63 H new ATOM 0 HG23 THR B 8 -0.286 1.239 4.203 1.00 0.63 H new ATOM 2321 N THR B 9 0.130 2.025 -0.489 1.00 0.63 N ATOM 2322 CA THR B 9 1.083 1.859 -1.571 1.00 0.70 C ATOM 2323 C THR B 9 1.835 3.164 -1.784 1.00 0.73 C ATOM 2324 O THR B 9 3.029 3.172 -2.054 1.00 0.78 O ATOM 2325 CB THR B 9 0.385 1.444 -2.889 1.00 0.75 C ATOM 2326 OG1 THR B 9 -0.352 0.231 -2.691 1.00 0.83 O ATOM 2327 CG2 THR B 9 1.394 1.241 -4.015 1.00 0.71 C ATOM 0 H THR B 9 -0.843 1.878 -0.759 1.00 0.63 H new ATOM 0 HA THR B 9 1.775 1.064 -1.293 1.00 0.70 H new ATOM 0 HB THR B 9 -0.292 2.249 -3.174 1.00 0.75 H new ATOM 0 HG1 THR B 9 -1.202 0.433 -2.247 1.00 0.83 H new ATOM 0 HG21 THR B 9 0.870 0.950 -4.925 1.00 0.71 H new ATOM 0 HG22 THR B 9 1.936 2.170 -4.190 1.00 0.71 H new ATOM 0 HG23 THR B 9 2.098 0.457 -3.736 1.00 0.71 H new ATOM 2335 N LYS B 10 1.124 4.266 -1.631 1.00 0.74 N ATOM 2336 CA LYS B 10 1.711 5.582 -1.793 1.00 0.80 C ATOM 2337 C LYS B 10 2.720 5.856 -0.683 1.00 0.81 C ATOM 2338 O LYS B 10 3.769 6.450 -0.926 1.00 0.87 O ATOM 2339 CB LYS B 10 0.615 6.645 -1.779 1.00 0.82 C ATOM 2340 CG LYS B 10 0.902 7.816 -2.698 1.00 1.07 C ATOM 2341 CD LYS B 10 0.834 9.139 -1.955 1.00 1.51 C ATOM 2342 CE LYS B 10 1.848 9.207 -0.819 1.00 1.88 C ATOM 2343 NZ LYS B 10 3.224 9.490 -1.304 1.00 2.03 N ATOM 0 H LYS B 10 0.132 4.274 -1.393 1.00 0.74 H new ATOM 0 HA LYS B 10 2.231 5.618 -2.750 1.00 0.80 H new ATOM 0 HB2 LYS B 10 -0.330 6.186 -2.071 1.00 0.82 H new ATOM 0 HB3 LYS B 10 0.489 7.014 -0.761 1.00 0.82 H new ATOM 0 HG2 LYS B 10 1.891 7.697 -3.142 1.00 1.07 H new ATOM 0 HG3 LYS B 10 0.183 7.821 -3.518 1.00 1.07 H new ATOM 0 HD2 LYS B 10 1.015 9.957 -2.653 1.00 1.51 H new ATOM 0 HD3 LYS B 10 -0.170 9.279 -1.554 1.00 1.51 H new ATOM 0 HE2 LYS B 10 1.548 9.982 -0.114 1.00 1.88 H new ATOM 0 HE3 LYS B 10 1.844 8.262 -0.275 1.00 1.88 H new ATOM 0 HZ1 LYS B 10 3.896 9.393 -0.517 1.00 2.03 H new ATOM 0 HZ2 LYS B 10 3.472 8.816 -2.057 1.00 2.03 H new ATOM 0 HZ3 LYS B 10 3.268 10.459 -1.679 1.00 2.03 H new ATOM 2357 N LYS B 11 2.390 5.425 0.528 1.00 0.77 N ATOM 2358 CA LYS B 11 3.260 5.606 1.688 1.00 0.79 C ATOM 2359 C LYS B 11 4.494 4.720 1.553 1.00 0.82 C ATOM 2360 O LYS B 11 5.614 5.152 1.817 1.00 0.89 O ATOM 2361 CB LYS B 11 2.492 5.262 2.975 1.00 0.74 C ATOM 2362 CG LYS B 11 2.964 6.016 4.220 1.00 0.73 C ATOM 2363 CD LYS B 11 3.818 5.134 5.122 1.00 0.86 C ATOM 2364 CE LYS B 11 4.155 5.814 6.443 1.00 1.02 C ATOM 2365 NZ LYS B 11 5.367 5.224 7.072 1.00 1.32 N ATOM 0 H LYS B 11 1.516 4.942 0.736 1.00 0.77 H new ATOM 0 HA LYS B 11 3.580 6.647 1.739 1.00 0.79 H new ATOM 0 HB2 LYS B 11 1.434 5.473 2.818 1.00 0.74 H new ATOM 0 HB3 LYS B 11 2.580 4.191 3.160 1.00 0.74 H new ATOM 0 HG2 LYS B 11 3.538 6.893 3.919 1.00 0.73 H new ATOM 0 HG3 LYS B 11 2.099 6.377 4.777 1.00 0.73 H new ATOM 0 HD2 LYS B 11 3.290 4.201 5.320 1.00 0.86 H new ATOM 0 HD3 LYS B 11 4.741 4.874 4.604 1.00 0.86 H new ATOM 0 HE2 LYS B 11 4.315 6.879 6.274 1.00 1.02 H new ATOM 0 HE3 LYS B 11 3.310 5.723 7.125 1.00 1.02 H new ATOM 0 HZ1 LYS B 11 5.654 5.806 7.885 1.00 1.32 H new ATOM 0 HZ2 LYS B 11 5.155 4.258 7.395 1.00 1.32 H new ATOM 0 HZ3 LYS B 11 6.140 5.195 6.377 1.00 1.32 H new ATOM 2379 N TYR B 12 4.272 3.480 1.128 1.00 0.78 N ATOM 2380 CA TYR B 12 5.353 2.529 0.922 1.00 0.81 C ATOM 2381 C TYR B 12 6.259 3.020 -0.203 1.00 0.95 C ATOM 2382 O TYR B 12 7.476 2.951 -0.113 1.00 1.01 O ATOM 2383 CB TYR B 12 4.768 1.146 0.589 1.00 0.78 C ATOM 2384 CG TYR B 12 5.796 0.091 0.237 1.00 0.80 C ATOM 2385 CD1 TYR B 12 6.452 -0.625 1.232 1.00 0.64 C ATOM 2386 CD2 TYR B 12 6.099 -0.198 -1.091 1.00 1.14 C ATOM 2387 CE1 TYR B 12 7.385 -1.594 0.913 1.00 0.78 C ATOM 2388 CE2 TYR B 12 7.027 -1.167 -1.414 1.00 1.21 C ATOM 2389 CZ TYR B 12 7.667 -1.860 -0.410 1.00 1.01 C ATOM 2390 OH TYR B 12 8.590 -2.829 -0.731 1.00 1.17 O ATOM 0 H TYR B 12 3.345 3.111 0.919 1.00 0.78 H new ATOM 0 HA TYR B 12 5.947 2.443 1.832 1.00 0.81 H new ATOM 0 HB2 TYR B 12 4.187 0.797 1.443 1.00 0.78 H new ATOM 0 HB3 TYR B 12 4.075 1.251 -0.246 1.00 0.78 H new ATOM 0 HD1 TYR B 12 6.230 -0.421 2.269 1.00 0.64 H new ATOM 0 HD2 TYR B 12 5.600 0.345 -1.880 1.00 1.14 H new ATOM 0 HE1 TYR B 12 7.890 -2.140 1.696 1.00 0.78 H new ATOM 0 HE2 TYR B 12 7.250 -1.381 -2.449 1.00 1.21 H new ATOM 0 HH TYR B 12 9.493 -2.494 -0.548 1.00 1.17 H new ATOM 2400 N ARG B 13 5.633 3.544 -1.246 1.00 1.05 N ATOM 2401 CA ARG B 13 6.346 4.072 -2.406 1.00 1.20 C ATOM 2402 C ARG B 13 7.067 5.370 -2.054 1.00 1.27 C ATOM 2403 O ARG B 13 8.048 5.744 -2.687 1.00 1.46 O ATOM 2404 CB ARG B 13 5.354 4.323 -3.537 1.00 1.27 C ATOM 2405 CG ARG B 13 5.967 4.322 -4.928 1.00 1.21 C ATOM 2406 CD ARG B 13 4.874 4.417 -5.985 1.00 1.62 C ATOM 2407 NE ARG B 13 4.932 5.650 -6.778 1.00 2.12 N ATOM 2408 CZ ARG B 13 4.533 6.859 -6.357 1.00 2.44 C ATOM 2409 NH1 ARG B 13 4.136 7.050 -5.102 1.00 2.69 N ATOM 2410 NH2 ARG B 13 4.534 7.879 -7.202 1.00 3.10 N ATOM 0 H ARG B 13 4.618 3.617 -1.315 1.00 1.05 H new ATOM 0 HA ARG B 13 7.090 3.342 -2.723 1.00 1.20 H new ATOM 0 HB2 ARG B 13 4.576 3.560 -3.496 1.00 1.27 H new ATOM 0 HB3 ARG B 13 4.867 5.284 -3.369 1.00 1.27 H new ATOM 0 HG2 ARG B 13 6.656 5.161 -5.030 1.00 1.21 H new ATOM 0 HG3 ARG B 13 6.548 3.412 -5.076 1.00 1.21 H new ATOM 0 HD2 ARG B 13 4.951 3.560 -6.654 1.00 1.62 H new ATOM 0 HD3 ARG B 13 3.901 4.354 -5.497 1.00 1.62 H new ATOM 0 HE ARG B 13 5.305 5.582 -7.725 1.00 2.12 H new ATOM 0 HH11 ARG B 13 4.132 6.271 -4.444 1.00 2.69 H new ATOM 0 HH12 ARG B 13 3.835 7.976 -4.797 1.00 2.69 H new ATOM 0 HH21 ARG B 13 4.837 7.742 -8.166 1.00 3.10 H new ATOM 0 HH22 ARG B 13 4.232 8.801 -6.888 1.00 3.10 H new ATOM 2424 N TYR B 14 6.561 6.060 -1.044 1.00 1.21 N ATOM 2425 CA TYR B 14 7.158 7.310 -0.598 1.00 1.29 C ATOM 2426 C TYR B 14 8.346 7.007 0.295 1.00 1.32 C ATOM 2427 O TYR B 14 9.271 7.805 0.416 1.00 1.47 O ATOM 2428 CB TYR B 14 6.126 8.155 0.160 1.00 1.24 C ATOM 2429 CG TYR B 14 6.541 9.596 0.397 1.00 1.21 C ATOM 2430 CD1 TYR B 14 6.767 10.465 -0.667 1.00 1.23 C ATOM 2431 CD2 TYR B 14 6.687 10.087 1.688 1.00 1.26 C ATOM 2432 CE1 TYR B 14 7.129 11.785 -0.447 1.00 1.26 C ATOM 2433 CE2 TYR B 14 7.049 11.402 1.918 1.00 1.30 C ATOM 2434 CZ TYR B 14 7.269 12.248 0.848 1.00 1.28 C ATOM 2435 OH TYR B 14 7.630 13.558 1.074 1.00 1.38 O ATOM 0 H TYR B 14 5.736 5.775 -0.516 1.00 1.21 H new ATOM 0 HA TYR B 14 7.493 7.878 -1.466 1.00 1.29 H new ATOM 0 HB2 TYR B 14 5.189 8.147 -0.398 1.00 1.24 H new ATOM 0 HB3 TYR B 14 5.927 7.685 1.123 1.00 1.24 H new ATOM 0 HD1 TYR B 14 6.659 10.105 -1.680 1.00 1.23 H new ATOM 0 HD2 TYR B 14 6.515 9.430 2.528 1.00 1.26 H new ATOM 0 HE1 TYR B 14 7.301 12.448 -1.282 1.00 1.26 H new ATOM 0 HE2 TYR B 14 7.159 11.766 2.929 1.00 1.30 H new ATOM 0 HH TYR B 14 7.027 14.153 0.581 1.00 1.38 H new ATOM 2445 N GLN B 15 8.314 5.831 0.911 1.00 1.21 N ATOM 2446 CA GLN B 15 9.383 5.394 1.791 1.00 1.23 C ATOM 2447 C GLN B 15 10.628 5.065 0.966 1.00 1.37 C ATOM 2448 O GLN B 15 11.739 5.008 1.494 1.00 1.37 O ATOM 2449 CB GLN B 15 8.928 4.184 2.608 1.00 1.12 C ATOM 2450 CG GLN B 15 9.194 4.304 4.103 1.00 1.04 C ATOM 2451 CD GLN B 15 8.568 5.540 4.725 1.00 1.16 C ATOM 2452 OE1 GLN B 15 7.421 5.517 5.179 1.00 1.25 O ATOM 2453 NE2 GLN B 15 9.323 6.626 4.764 1.00 1.41 N ATOM 0 H GLN B 15 7.551 5.161 0.814 1.00 1.21 H new ATOM 0 HA GLN B 15 9.633 6.196 2.486 1.00 1.23 H new ATOM 0 HB2 GLN B 15 7.860 4.035 2.451 1.00 1.12 H new ATOM 0 HB3 GLN B 15 9.433 3.295 2.231 1.00 1.12 H new ATOM 0 HG2 GLN B 15 8.809 3.417 4.606 1.00 1.04 H new ATOM 0 HG3 GLN B 15 10.270 4.325 4.273 1.00 1.04 H new ATOM 0 HE21 GLN B 15 10.267 6.605 4.378 1.00 1.41 H new ATOM 0 HE22 GLN B 15 8.961 7.484 5.180 1.00 1.41 H new ATOM 2462 N ASP B 16 10.421 4.864 -0.340 1.00 1.59 N ATOM 2463 CA ASP B 16 11.510 4.587 -1.274 1.00 1.76 C ATOM 2464 C ASP B 16 12.415 5.816 -1.351 1.00 1.96 C ATOM 2465 O ASP B 16 13.617 5.723 -1.622 1.00 2.05 O ATOM 2466 CB ASP B 16 10.934 4.222 -2.656 1.00 2.09 C ATOM 2467 CG ASP B 16 11.839 4.606 -3.818 1.00 2.24 C ATOM 2468 OD1 ASP B 16 12.716 3.803 -4.201 1.00 2.65 O ATOM 2469 OD2 ASP B 16 11.679 5.725 -4.358 1.00 2.32 O ATOM 0 H ASP B 16 9.498 4.889 -0.774 1.00 1.59 H new ATOM 0 HA ASP B 16 12.101 3.738 -0.929 1.00 1.76 H new ATOM 0 HB2 ASP B 16 10.749 3.148 -2.691 1.00 2.09 H new ATOM 0 HB3 ASP B 16 9.970 4.715 -2.780 1.00 2.09 H new ATOM 2474 N GLU B 17 11.810 6.970 -1.082 1.00 2.16 N ATOM 2475 CA GLU B 17 12.504 8.246 -1.073 1.00 2.48 C ATOM 2476 C GLU B 17 13.286 8.394 0.238 1.00 2.44 C ATOM 2477 O GLU B 17 12.857 9.099 1.156 1.00 2.36 O ATOM 2478 CB GLU B 17 11.474 9.379 -1.214 1.00 2.75 C ATOM 2479 CG GLU B 17 12.064 10.777 -1.172 1.00 3.19 C ATOM 2480 CD GLU B 17 12.941 11.068 -2.363 1.00 3.49 C ATOM 2481 OE1 GLU B 17 12.401 11.328 -3.453 1.00 4.01 O ATOM 2482 OE2 GLU B 17 14.177 11.046 -2.211 1.00 3.62 O ATOM 0 H GLU B 17 10.816 7.042 -0.863 1.00 2.16 H new ATOM 0 HA GLU B 17 13.206 8.296 -1.906 1.00 2.48 H new ATOM 0 HB2 GLU B 17 10.940 9.252 -2.156 1.00 2.75 H new ATOM 0 HB3 GLU B 17 10.738 9.285 -0.415 1.00 2.75 H new ATOM 0 HG2 GLU B 17 11.256 11.508 -1.132 1.00 3.19 H new ATOM 0 HG3 GLU B 17 12.646 10.895 -0.258 1.00 3.19 H new ATOM 2489 N ASP B 18 14.416 7.707 0.339 1.00 2.66 N ATOM 2490 CA ASP B 18 15.221 7.763 1.555 1.00 2.76 C ATOM 2491 C ASP B 18 16.715 7.702 1.264 1.00 3.15 C ATOM 2492 O ASP B 18 17.437 8.671 1.488 1.00 3.44 O ATOM 2493 CB ASP B 18 14.852 6.609 2.489 1.00 2.70 C ATOM 2494 CG ASP B 18 15.422 6.774 3.886 1.00 2.54 C ATOM 2495 OD1 ASP B 18 16.648 6.615 4.065 1.00 2.45 O ATOM 2496 OD2 ASP B 18 14.636 7.050 4.815 1.00 2.74 O ATOM 0 H ASP B 18 14.794 7.110 -0.397 1.00 2.66 H new ATOM 0 HA ASP B 18 15.005 8.720 2.030 1.00 2.76 H new ATOM 0 HB2 ASP B 18 13.767 6.532 2.552 1.00 2.70 H new ATOM 0 HB3 ASP B 18 15.214 5.673 2.063 1.00 2.70 H new ATOM 2501 N THR B 19 17.169 6.557 0.771 1.00 3.25 N ATOM 2502 CA THR B 19 18.581 6.354 0.498 1.00 3.64 C ATOM 2503 C THR B 19 18.904 6.485 -0.982 1.00 4.26 C ATOM 2504 O THR B 19 18.766 5.492 -1.721 1.00 4.48 O ATOM 2505 CB THR B 19 19.018 4.976 1.003 1.00 3.58 C ATOM 2506 OG1 THR B 19 18.133 4.555 2.057 1.00 3.24 O ATOM 2507 CG2 THR B 19 20.446 5.019 1.519 1.00 3.63 C ATOM 0 H THR B 19 16.577 5.755 0.553 1.00 3.25 H new ATOM 0 HA THR B 19 19.130 7.134 1.025 1.00 3.64 H new ATOM 0 HB THR B 19 18.974 4.268 0.176 1.00 3.58 H new ATOM 0 HG1 THR B 19 18.408 3.672 2.382 1.00 3.24 H new ATOM 0 HG21 THR B 19 20.735 4.029 1.873 1.00 3.63 H new ATOM 0 HG22 THR B 19 21.114 5.327 0.715 1.00 3.63 H new ATOM 0 HG23 THR B 19 20.515 5.732 2.340 1.00 3.63 H new