USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 TYR OH : rot -158:sc= 0.102 USER MOD Set 1.2: A 63 GLN : amide:sc= -0.308 X(o=-0.21,f=-0.65) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -5.55! C(o=-6.4!,f=-7.2!) USER MOD Set 2.2: A 31 ASN : amide:sc= -0.807 K(o=-6.4,f=-12!) USER MOD Set 3.1: A 13 ASN : amide:sc= -1.16 K(o=-3.8,f=-7.3!) USER MOD Set 3.2: A 14 THR OG1 : rot 28:sc= -2.61! USER MOD Single : A 1 ALA N :NH3+ -158:sc= 0 (180deg=-0.342) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.793 K(o=-0.79,f=-1.4) USER MOD Single : A 23 TYR OH : rot 30:sc= -4.56! USER MOD Single : A 27 SER OG : rot -50:sc= 0.831 USER MOD Single : A 29 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.063) USER MOD Single : A 30 THR OG1 : rot 102:sc= 0.198 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.47) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc=-0.00822 (180deg=-0.161) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 46 LYS NZ :NH3+ -125:sc= 0.0283 (180deg=-0.0169) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 0.169 (180deg=-0.869!) USER MOD Single : A 52 THR OG1 : rot -135:sc= 1.38 USER MOD Single : A 55 SER OG : rot 80:sc= 0.482 USER MOD Single : A 58 ASN : amide:sc= -0.711 K(o=-0.71,f=-3.1!) USER MOD Single : A 66 ASN : amide:sc= -2.09! C(o=-2.1!,f=-3.2!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -134:sc= 0.15 (180deg=-0.0318) USER MOD Single : A 71 THR OG1 : rot -110:sc= 0 USER MOD Single : A 76 TYR OH : rot 83:sc= 0.0166 USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= -0.0298 (180deg=-0.286) USER MOD Single : A 82 HIS : no HD1:sc= -0.34 K(o=-0.34,f=-3.9!) USER MOD Single : A 87 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.967) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -122:sc= 1.26 USER MOD Single : A 95 MET CE :methyl -176:sc= -1.79! (180deg=-1.82!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0.9 USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.22) USER MOD Single : A 102 MET CE :methyl 143:sc= -0.128 (180deg=-0.56) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN :FLIP amide:sc= -2.15 F(o=-2.7!,f=-2.2) USER MOD Single : A 112 LYS NZ :NH3+ -170:sc= -0.0174 (180deg=-0.119) USER MOD Single : A 115 SER OG : rot 180:sc= -0.196 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.358 1.246 -5.662 1.00 6.29 N ATOM 2 CA ALA A 1 18.862 0.646 -4.404 1.00 5.64 C ATOM 3 C ALA A 1 19.429 -0.759 -4.222 1.00 5.66 C ATOM 4 O ALA A 1 18.761 -1.756 -4.503 1.00 5.80 O ATOM 5 CB ALA A 1 17.341 0.616 -4.400 1.00 5.37 C ATOM 0 H1 ALA A 1 19.288 2.282 -5.604 1.00 6.29 H new ATOM 0 H2 ALA A 1 20.351 0.974 -5.809 1.00 6.29 H new ATOM 0 H3 ALA A 1 18.784 0.905 -6.459 1.00 6.29 H new ATOM 0 HA ALA A 1 19.198 1.260 -3.568 1.00 5.64 H new ATOM 0 HB1 ALA A 1 16.988 0.172 -3.469 1.00 5.37 H new ATOM 0 HB2 ALA A 1 16.957 1.632 -4.486 1.00 5.37 H new ATOM 0 HB3 ALA A 1 16.987 0.022 -5.242 1.00 5.37 H new ATOM 13 N MET A 2 20.670 -0.831 -3.761 1.00 5.85 N ATOM 14 CA MET A 2 21.335 -2.110 -3.551 1.00 6.17 C ATOM 15 C MET A 2 21.236 -2.537 -2.095 1.00 5.91 C ATOM 16 O MET A 2 21.461 -3.700 -1.763 1.00 6.19 O ATOM 17 CB MET A 2 22.805 -2.031 -3.971 1.00 6.73 C ATOM 18 CG MET A 2 23.003 -1.774 -5.455 1.00 7.38 C ATOM 19 SD MET A 2 22.295 -3.076 -6.482 1.00 8.14 S ATOM 20 CE MET A 2 22.646 -2.435 -8.117 1.00 8.79 C ATOM 0 H MET A 2 21.238 -0.017 -3.525 1.00 5.85 H new ATOM 0 HA MET A 2 20.832 -2.854 -4.169 1.00 6.17 H new ATOM 0 HB2 MET A 2 23.293 -1.237 -3.406 1.00 6.73 H new ATOM 0 HB3 MET A 2 23.301 -2.964 -3.704 1.00 6.73 H new ATOM 0 HG2 MET A 2 22.548 -0.820 -5.719 1.00 7.38 H new ATOM 0 HG3 MET A 2 24.069 -1.688 -5.667 1.00 7.38 H new ATOM 0 HE1 MET A 2 22.269 -3.129 -8.868 1.00 8.79 H new ATOM 0 HE2 MET A 2 22.160 -1.467 -8.240 1.00 8.79 H new ATOM 0 HE3 MET A 2 23.723 -2.318 -8.239 1.00 8.79 H new ATOM 30 N GLY A 3 20.900 -1.592 -1.230 1.00 5.74 N ATOM 31 CA GLY A 3 20.772 -1.888 0.181 1.00 5.81 C ATOM 32 C GLY A 3 19.453 -1.408 0.738 1.00 5.28 C ATOM 33 O GLY A 3 18.606 -2.215 1.122 1.00 5.54 O ATOM 0 H GLY A 3 20.713 -0.621 -1.482 1.00 5.74 H new ATOM 0 HA2 GLY A 3 20.862 -2.963 0.336 1.00 5.81 H new ATOM 0 HA3 GLY A 3 21.590 -1.417 0.727 1.00 5.81 H new ATOM 37 N CYS A 4 19.295 -0.087 0.777 1.00 4.84 N ATOM 38 CA CYS A 4 18.059 0.557 1.220 1.00 4.49 C ATOM 39 C CYS A 4 17.810 0.418 2.719 1.00 4.00 C ATOM 40 O CYS A 4 18.204 -0.562 3.357 1.00 4.30 O ATOM 41 CB CYS A 4 16.848 0.036 0.439 1.00 4.71 C ATOM 42 SG CYS A 4 16.499 0.950 -1.104 1.00 5.14 S ATOM 0 H CYS A 4 20.024 0.571 0.501 1.00 4.84 H new ATOM 0 HA CYS A 4 18.191 1.619 1.013 1.00 4.49 H new ATOM 0 HB2 CYS A 4 17.011 -1.014 0.197 1.00 4.71 H new ATOM 0 HB3 CYS A 4 15.969 0.082 1.082 1.00 4.71 H new ATOM 47 N LYS A 5 17.177 1.444 3.272 1.00 3.56 N ATOM 48 CA LYS A 5 16.725 1.436 4.650 1.00 3.21 C ATOM 49 C LYS A 5 15.563 0.472 4.823 1.00 2.60 C ATOM 50 O LYS A 5 14.987 0.001 3.844 1.00 2.48 O ATOM 51 CB LYS A 5 16.282 2.822 5.046 1.00 3.31 C ATOM 52 CG LYS A 5 16.199 3.052 6.550 1.00 3.91 C ATOM 53 CD LYS A 5 15.578 4.400 6.882 1.00 4.47 C ATOM 54 CE LYS A 5 16.440 5.557 6.403 1.00 5.34 C ATOM 55 NZ LYS A 5 15.818 6.872 6.709 1.00 5.99 N ATOM 0 H LYS A 5 16.963 2.307 2.772 1.00 3.56 H new ATOM 0 HA LYS A 5 17.551 1.115 5.285 1.00 3.21 H new ATOM 0 HB2 LYS A 5 16.974 3.547 4.618 1.00 3.31 H new ATOM 0 HB3 LYS A 5 15.304 3.017 4.607 1.00 3.31 H new ATOM 0 HG2 LYS A 5 15.609 2.258 7.007 1.00 3.91 H new ATOM 0 HG3 LYS A 5 17.198 2.996 6.982 1.00 3.91 H new ATOM 0 HD2 LYS A 5 14.592 4.468 6.423 1.00 4.47 H new ATOM 0 HD3 LYS A 5 15.434 4.477 7.960 1.00 4.47 H new ATOM 0 HE2 LYS A 5 17.421 5.500 6.876 1.00 5.34 H new ATOM 0 HE3 LYS A 5 16.599 5.471 5.328 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 16.435 7.636 6.367 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 14.893 6.937 6.237 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 15.690 6.964 7.737 1.00 5.99 H new ATOM 69 N GLU A 6 15.246 0.170 6.069 1.00 2.54 N ATOM 70 CA GLU A 6 14.040 -0.558 6.410 1.00 2.10 C ATOM 71 C GLU A 6 12.829 0.238 5.951 1.00 1.84 C ATOM 72 O GLU A 6 12.422 1.208 6.597 1.00 2.27 O ATOM 73 CB GLU A 6 13.999 -0.776 7.912 1.00 2.49 C ATOM 74 CG GLU A 6 15.313 -1.292 8.450 1.00 2.96 C ATOM 75 CD GLU A 6 15.336 -1.400 9.956 1.00 3.57 C ATOM 76 OE1 GLU A 6 14.938 -2.456 10.485 1.00 4.01 O ATOM 77 OE2 GLU A 6 15.757 -0.435 10.618 1.00 3.94 O ATOM 0 H GLU A 6 15.819 0.424 6.874 1.00 2.54 H new ATOM 0 HA GLU A 6 14.031 -1.528 5.913 1.00 2.10 H new ATOM 0 HB2 GLU A 6 13.749 0.162 8.407 1.00 2.49 H new ATOM 0 HB3 GLU A 6 13.206 -1.484 8.153 1.00 2.49 H new ATOM 0 HG2 GLU A 6 15.515 -2.272 8.018 1.00 2.96 H new ATOM 0 HG3 GLU A 6 16.116 -0.630 8.127 1.00 2.96 H new ATOM 84 N ILE A 7 12.274 -0.168 4.830 1.00 1.34 N ATOM 85 CA ILE A 7 11.221 0.604 4.174 1.00 1.10 C ATOM 86 C ILE A 7 9.873 0.394 4.872 1.00 0.99 C ATOM 87 O ILE A 7 9.661 -0.625 5.534 1.00 1.30 O ATOM 88 CB ILE A 7 11.117 0.255 2.665 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.405 0.515 1.927 1.00 1.73 C ATOM 90 CG2 ILE A 7 10.048 1.045 1.985 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.963 1.869 2.206 1.00 2.00 C ATOM 0 H ILE A 7 12.529 -1.029 4.347 1.00 1.34 H new ATOM 0 HA ILE A 7 11.488 1.658 4.254 1.00 1.10 H new ATOM 0 HB ILE A 7 10.881 -0.809 2.634 1.00 1.29 H new ATOM 0 HG12 ILE A 7 13.139 -0.241 2.207 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.233 0.411 0.856 1.00 1.73 H new ATOM 0 HG21 ILE A 7 10.008 0.771 0.931 1.00 1.29 H new ATOM 0 HG22 ILE A 7 9.086 0.833 2.452 1.00 1.29 H new ATOM 0 HG23 ILE A 7 10.268 2.109 2.075 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.890 2.002 1.649 1.00 2.00 H new ATOM 0 HD12 ILE A 7 12.244 2.629 1.901 1.00 2.00 H new ATOM 0 HD13 ILE A 7 13.164 1.967 3.273 1.00 2.00 H new ATOM 103 N GLU A 8 8.959 1.360 4.726 1.00 0.87 N ATOM 104 CA GLU A 8 7.709 1.339 5.478 1.00 0.93 C ATOM 105 C GLU A 8 6.521 1.632 4.574 1.00 0.86 C ATOM 106 O GLU A 8 6.415 2.713 4.008 1.00 1.29 O ATOM 107 CB GLU A 8 7.758 2.344 6.626 1.00 1.41 C ATOM 108 CG GLU A 8 8.713 1.945 7.739 1.00 1.71 C ATOM 109 CD GLU A 8 8.727 2.932 8.883 1.00 2.31 C ATOM 110 OE1 GLU A 8 7.916 2.776 9.818 1.00 2.70 O ATOM 111 OE2 GLU A 8 9.544 3.878 8.847 1.00 2.71 O ATOM 0 H GLU A 8 9.064 2.157 4.099 1.00 0.87 H new ATOM 0 HA GLU A 8 7.584 0.338 5.892 1.00 0.93 H new ATOM 0 HB2 GLU A 8 8.055 3.317 6.234 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.757 2.459 7.041 1.00 1.41 H new ATOM 0 HG2 GLU A 8 8.432 0.962 8.117 1.00 1.71 H new ATOM 0 HG3 GLU A 8 9.720 1.854 7.332 1.00 1.71 H new ATOM 118 N ILE A 9 5.622 0.667 4.483 1.00 0.65 N ATOM 119 CA ILE A 9 4.503 0.710 3.546 1.00 0.68 C ATOM 120 C ILE A 9 3.253 1.214 4.247 1.00 0.53 C ATOM 121 O ILE A 9 2.837 0.627 5.244 1.00 0.68 O ATOM 122 CB ILE A 9 4.206 -0.692 2.972 1.00 0.91 C ATOM 123 CG1 ILE A 9 5.175 -1.732 3.537 1.00 0.93 C ATOM 124 CG2 ILE A 9 4.253 -0.682 1.463 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.754 -2.651 2.503 1.00 1.21 C ATOM 0 H ILE A 9 5.644 -0.175 5.059 1.00 0.65 H new ATOM 0 HA ILE A 9 4.779 1.383 2.734 1.00 0.68 H new ATOM 0 HB ILE A 9 3.197 -0.969 3.276 1.00 0.91 H new ATOM 0 HG12 ILE A 9 5.989 -1.216 4.047 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.656 -2.328 4.288 1.00 0.93 H new ATOM 0 HG21 ILE A 9 4.040 -1.682 1.086 1.00 1.34 H new ATOM 0 HG22 ILE A 9 3.508 0.016 1.080 1.00 1.34 H new ATOM 0 HG23 ILE A 9 5.244 -0.373 1.132 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.430 -3.358 2.983 1.00 1.21 H new ATOM 0 HD12 ILE A 9 4.949 -3.196 2.009 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.304 -2.067 1.764 1.00 1.21 H new ATOM 137 N VAL A 10 2.644 2.289 3.756 1.00 0.51 N ATOM 138 CA VAL A 10 1.457 2.801 4.434 1.00 0.46 C ATOM 139 C VAL A 10 0.194 2.708 3.577 1.00 0.41 C ATOM 140 O VAL A 10 0.152 3.159 2.432 1.00 0.44 O ATOM 141 CB VAL A 10 1.655 4.239 4.986 1.00 0.61 C ATOM 142 CG1 VAL A 10 2.629 5.037 4.133 1.00 0.92 C ATOM 143 CG2 VAL A 10 0.318 4.966 5.114 1.00 0.77 C ATOM 0 H VAL A 10 2.936 2.805 2.926 1.00 0.51 H new ATOM 0 HA VAL A 10 1.310 2.143 5.290 1.00 0.46 H new ATOM 0 HB VAL A 10 2.089 4.150 5.982 1.00 0.61 H new ATOM 0 HG11 VAL A 10 2.742 6.038 4.550 1.00 0.92 H new ATOM 0 HG12 VAL A 10 3.597 4.537 4.122 1.00 0.92 H new ATOM 0 HG13 VAL A 10 2.246 5.109 3.115 1.00 0.92 H new ATOM 0 HG21 VAL A 10 0.486 5.970 5.503 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.156 5.030 4.135 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -0.331 4.417 5.796 1.00 0.77 H new ATOM 153 N ILE A 11 -0.823 2.089 4.165 1.00 0.40 N ATOM 154 CA ILE A 11 -2.140 1.973 3.586 1.00 0.40 C ATOM 155 C ILE A 11 -3.081 2.880 4.357 1.00 0.44 C ATOM 156 O ILE A 11 -3.424 2.601 5.504 1.00 0.50 O ATOM 157 CB ILE A 11 -2.646 0.508 3.668 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.863 -0.394 2.722 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.148 0.408 3.423 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.653 0.231 1.381 1.00 0.59 C ATOM 0 H ILE A 11 -0.744 1.646 5.080 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.103 2.263 2.536 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.469 0.159 4.685 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -0.895 -0.629 3.166 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.395 -1.338 2.601 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.459 -0.635 3.490 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -4.679 0.994 4.173 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.381 0.793 2.430 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.090 -0.452 0.745 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.619 0.441 0.922 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.096 1.161 1.496 1.00 0.59 H new ATOM 172 N LYS A 12 -3.453 3.989 3.762 1.00 0.46 N ATOM 173 CA LYS A 12 -4.336 4.917 4.416 1.00 0.52 C ATOM 174 C LYS A 12 -5.732 4.751 3.897 1.00 0.50 C ATOM 175 O LYS A 12 -6.125 5.393 2.945 1.00 0.62 O ATOM 176 CB LYS A 12 -3.891 6.327 4.152 1.00 0.55 C ATOM 177 CG LYS A 12 -4.503 7.291 5.127 1.00 0.72 C ATOM 178 CD LYS A 12 -4.140 8.734 4.833 1.00 1.32 C ATOM 179 CE LYS A 12 -4.876 9.683 5.762 1.00 1.65 C ATOM 180 NZ LYS A 12 -4.588 11.106 5.455 1.00 2.08 N ATOM 0 H LYS A 12 -3.156 4.268 2.827 1.00 0.46 H new ATOM 0 HA LYS A 12 -4.313 4.717 5.487 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -2.804 6.384 4.216 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -4.166 6.612 3.136 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -5.587 7.182 5.106 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.176 7.037 6.135 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -3.065 8.872 4.945 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -4.386 8.970 3.798 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -5.949 9.506 5.683 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -4.593 9.471 6.793 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -5.112 11.716 6.114 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -3.568 11.283 5.555 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -4.882 11.317 4.480 1.00 2.08 H new ATOM 194 N ASN A 13 -6.497 3.980 4.593 1.00 0.55 N ATOM 195 CA ASN A 13 -7.756 3.490 4.068 1.00 0.59 C ATOM 196 C ASN A 13 -8.953 4.287 4.557 1.00 0.58 C ATOM 197 O ASN A 13 -8.905 4.907 5.621 1.00 0.95 O ATOM 198 CB ASN A 13 -7.927 2.012 4.416 1.00 1.01 C ATOM 199 CG ASN A 13 -7.808 1.752 5.901 1.00 2.06 C ATOM 200 OD1 ASN A 13 -6.709 1.561 6.418 1.00 2.81 O ATOM 201 ND2 ASN A 13 -8.932 1.738 6.595 1.00 2.71 N ATOM 0 H ASN A 13 -6.282 3.665 5.539 1.00 0.55 H new ATOM 0 HA ASN A 13 -7.719 3.614 2.986 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -8.901 1.670 4.067 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -7.175 1.427 3.886 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -8.909 1.564 7.600 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -9.823 1.901 6.126 1.00 2.71 H new ATOM 208 N THR A 14 -9.995 4.328 3.714 1.00 0.47 N ATOM 209 CA THR A 14 -11.325 4.657 4.085 1.00 0.74 C ATOM 210 C THR A 14 -11.630 6.114 4.245 1.00 0.54 C ATOM 211 O THR A 14 -10.861 6.921 4.738 1.00 0.70 O ATOM 212 CB THR A 14 -11.836 3.755 5.195 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.956 3.682 6.315 1.00 1.79 O ATOM 214 CG2 THR A 14 -11.988 2.395 4.549 1.00 1.78 C ATOM 0 H THR A 14 -9.900 4.120 2.720 1.00 0.47 H new ATOM 0 HA THR A 14 -11.930 4.432 3.207 1.00 0.74 H new ATOM 0 HB THR A 14 -12.769 4.144 5.602 1.00 1.38 H new ATOM 0 HG1 THR A 14 -10.439 4.512 6.380 1.00 1.79 H new ATOM 0 HG21 THR A 14 -12.355 1.681 5.286 1.00 1.78 H new ATOM 0 HG22 THR A 14 -12.697 2.461 3.724 1.00 1.78 H new ATOM 0 HG23 THR A 14 -11.022 2.062 4.171 1.00 1.78 H new ATOM 222 N LEU A 15 -12.750 6.397 3.599 1.00 0.49 N ATOM 223 CA LEU A 15 -13.327 7.742 3.466 1.00 0.68 C ATOM 224 C LEU A 15 -13.421 8.467 4.794 1.00 0.84 C ATOM 225 O LEU A 15 -12.867 9.545 4.986 1.00 1.18 O ATOM 226 CB LEU A 15 -14.770 7.734 2.928 1.00 0.88 C ATOM 227 CG LEU A 15 -14.976 7.293 1.502 1.00 0.97 C ATOM 228 CD1 LEU A 15 -14.432 5.922 1.368 1.00 0.90 C ATOM 229 CD2 LEU A 15 -16.449 7.348 1.128 1.00 1.39 C ATOM 0 H LEU A 15 -13.307 5.679 3.135 1.00 0.49 H new ATOM 0 HA LEU A 15 -12.647 8.238 2.774 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.365 7.085 3.570 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -15.173 8.741 3.031 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.455 7.963 0.818 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -14.567 5.575 0.343 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -13.370 5.927 1.612 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -14.958 5.254 2.050 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -16.574 7.025 0.094 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -17.016 6.689 1.785 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.814 8.369 1.236 1.00 1.39 H new ATOM 241 N GLY A 16 -14.203 7.859 5.673 1.00 0.72 N ATOM 242 CA GLY A 16 -14.588 8.464 6.925 1.00 0.87 C ATOM 243 C GLY A 16 -15.849 7.818 7.464 1.00 0.77 C ATOM 244 O GLY A 16 -15.815 7.211 8.526 1.00 1.27 O ATOM 0 H GLY A 16 -14.588 6.925 5.530 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -13.781 8.359 7.650 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -14.752 9.532 6.784 1.00 0.87 H new ATOM 248 N PRO A 17 -16.984 7.925 6.751 1.00 0.67 N ATOM 249 CA PRO A 17 -18.203 7.190 7.070 1.00 0.76 C ATOM 250 C PRO A 17 -18.477 6.001 6.121 1.00 0.88 C ATOM 251 O PRO A 17 -18.379 6.141 4.900 1.00 1.27 O ATOM 252 CB PRO A 17 -19.258 8.277 6.874 1.00 1.02 C ATOM 253 CG PRO A 17 -18.696 9.198 5.821 1.00 1.42 C ATOM 254 CD PRO A 17 -17.231 8.852 5.646 1.00 1.13 C ATOM 0 HA PRO A 17 -18.170 6.731 8.058 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -20.208 7.849 6.554 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -19.447 8.813 7.804 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.233 9.077 4.880 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -18.810 10.239 6.122 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -17.037 8.389 4.678 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -16.596 9.736 5.709 1.00 1.13 H new ATOM 262 N SER A 18 -18.812 4.839 6.698 1.00 1.06 N ATOM 263 CA SER A 18 -19.184 3.631 5.934 1.00 1.31 C ATOM 264 C SER A 18 -18.128 3.244 4.887 1.00 1.10 C ATOM 265 O SER A 18 -18.274 3.526 3.700 1.00 1.50 O ATOM 266 CB SER A 18 -20.545 3.838 5.269 1.00 1.75 C ATOM 267 OG SER A 18 -21.537 4.126 6.241 1.00 2.18 O ATOM 0 H SER A 18 -18.834 4.706 7.709 1.00 1.06 H new ATOM 0 HA SER A 18 -19.242 2.803 6.641 1.00 1.31 H new ATOM 0 HB2 SER A 18 -20.484 4.655 4.550 1.00 1.75 H new ATOM 0 HB3 SER A 18 -20.823 2.944 4.712 1.00 1.75 H new ATOM 0 HG SER A 18 -22.401 4.257 5.798 1.00 2.18 H new ATOM 273 N ARG A 19 -17.061 2.595 5.350 1.00 0.81 N ATOM 274 CA ARG A 19 -15.909 2.253 4.529 1.00 0.66 C ATOM 275 C ARG A 19 -15.086 1.147 5.176 1.00 0.64 C ATOM 276 O ARG A 19 -14.456 1.383 6.206 1.00 1.02 O ATOM 277 CB ARG A 19 -14.968 3.443 4.385 1.00 0.68 C ATOM 278 CG ARG A 19 -15.484 4.768 4.908 1.00 1.15 C ATOM 279 CD ARG A 19 -15.247 4.909 6.418 1.00 1.94 C ATOM 280 NE ARG A 19 -15.530 3.683 7.180 1.00 2.51 N ATOM 281 CZ ARG A 19 -16.113 3.632 8.388 1.00 3.32 C ATOM 282 NH1 ARG A 19 -16.425 4.735 9.049 1.00 3.76 N ATOM 283 NH2 ARG A 19 -16.362 2.457 8.946 1.00 3.99 N ATOM 0 H ARG A 19 -16.975 2.289 6.319 1.00 0.81 H new ATOM 0 HA ARG A 19 -16.305 1.940 3.563 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.037 3.209 4.902 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -14.725 3.562 3.329 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.989 5.585 4.383 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -16.550 4.853 4.697 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -14.211 5.200 6.588 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -15.872 5.716 6.801 1.00 1.94 H new ATOM 0 HE ARG A 19 -15.260 2.796 6.754 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -16.223 5.648 8.642 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -16.868 4.672 9.966 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -16.111 1.597 8.458 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -16.805 2.412 9.864 1.00 3.99 H new ATOM 297 N ILE A 20 -15.080 -0.030 4.579 1.00 0.52 N ATOM 298 CA ILE A 20 -14.205 -1.128 5.027 1.00 0.51 C ATOM 299 C ILE A 20 -13.892 -2.089 3.889 1.00 0.54 C ATOM 300 O ILE A 20 -14.806 -2.662 3.297 1.00 0.76 O ATOM 301 CB ILE A 20 -14.778 -1.958 6.194 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.778 -1.158 7.484 1.00 0.78 C ATOM 303 CG2 ILE A 20 -13.978 -3.228 6.389 1.00 0.72 C ATOM 304 CD1 ILE A 20 -14.633 -1.988 8.715 1.00 0.83 C ATOM 0 H ILE A 20 -15.668 -0.263 3.779 1.00 0.52 H new ATOM 0 HA ILE A 20 -13.304 -0.624 5.377 1.00 0.51 H new ATOM 0 HB ILE A 20 -15.806 -2.216 5.940 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -13.965 -0.433 7.450 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.707 -0.592 7.548 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -14.398 -3.799 7.217 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -14.017 -3.826 5.479 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -12.942 -2.975 6.612 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.642 -1.342 9.593 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -15.460 -2.695 8.776 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.691 -2.534 8.677 1.00 0.83 H new ATOM 316 N LEU A 21 -12.611 -2.282 3.599 1.00 0.50 N ATOM 317 CA LEU A 21 -12.195 -3.305 2.637 1.00 0.55 C ATOM 318 C LEU A 21 -10.970 -4.011 3.163 1.00 0.52 C ATOM 319 O LEU A 21 -10.295 -3.509 4.067 1.00 0.75 O ATOM 320 CB LEU A 21 -11.887 -2.780 1.227 1.00 0.72 C ATOM 321 CG LEU A 21 -13.059 -2.165 0.426 1.00 1.39 C ATOM 322 CD1 LEU A 21 -14.225 -3.135 0.348 1.00 2.23 C ATOM 323 CD2 LEU A 21 -13.520 -0.829 0.994 1.00 2.20 C ATOM 0 H LEU A 21 -11.844 -1.750 4.011 1.00 0.50 H new ATOM 0 HA LEU A 21 -13.048 -3.975 2.535 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -11.104 -2.026 1.312 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -11.475 -3.603 0.643 1.00 0.72 H new ATOM 0 HG LEU A 21 -12.684 -1.974 -0.580 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -15.038 -2.682 -0.220 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -13.903 -4.051 -0.147 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -14.572 -3.369 1.355 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -14.344 -0.443 0.393 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -13.854 -0.967 2.022 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -12.693 -0.120 0.973 1.00 2.20 H new ATOM 335 N GLN A 22 -10.688 -5.176 2.618 1.00 0.47 N ATOM 336 CA GLN A 22 -9.508 -5.878 2.956 1.00 0.47 C ATOM 337 C GLN A 22 -8.409 -5.511 2.008 1.00 0.42 C ATOM 338 O GLN A 22 -8.517 -5.691 0.810 1.00 0.51 O ATOM 339 CB GLN A 22 -9.740 -7.372 2.889 1.00 0.60 C ATOM 340 CG GLN A 22 -8.441 -8.133 2.869 1.00 0.71 C ATOM 341 CD GLN A 22 -8.632 -9.638 2.867 1.00 0.97 C ATOM 342 OE1 GLN A 22 -7.820 -10.379 2.309 1.00 1.69 O ATOM 343 NE2 GLN A 22 -9.713 -10.102 3.474 1.00 1.34 N ATOM 0 H GLN A 22 -11.280 -5.646 1.933 1.00 0.47 H new ATOM 0 HA GLN A 22 -9.226 -5.605 3.973 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.334 -7.688 3.747 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.317 -7.612 1.996 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.871 -7.844 1.986 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -7.847 -7.849 3.738 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -10.362 -9.456 3.925 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -9.897 -11.105 3.491 1.00 1.34 H new ATOM 352 N TYR A 23 -7.368 -4.990 2.573 1.00 0.42 N ATOM 353 CA TYR A 23 -6.142 -4.777 1.867 1.00 0.42 C ATOM 354 C TYR A 23 -5.270 -5.962 2.233 1.00 0.41 C ATOM 355 O TYR A 23 -5.587 -6.671 3.183 1.00 0.49 O ATOM 356 CB TYR A 23 -5.494 -3.461 2.300 1.00 0.52 C ATOM 357 CG TYR A 23 -4.850 -3.602 3.638 1.00 0.50 C ATOM 358 CD1 TYR A 23 -5.610 -3.701 4.795 1.00 0.54 C ATOM 359 CD2 TYR A 23 -3.470 -3.565 3.743 1.00 0.58 C ATOM 360 CE1 TYR A 23 -4.996 -3.760 6.031 1.00 0.61 C ATOM 361 CE2 TYR A 23 -2.849 -3.631 4.956 1.00 0.63 C ATOM 362 CZ TYR A 23 -3.706 -4.001 6.122 1.00 0.63 C ATOM 363 OH TYR A 23 -2.993 -3.763 7.333 1.00 0.74 O ATOM 0 H TYR A 23 -7.343 -4.696 3.549 1.00 0.42 H new ATOM 0 HA TYR A 23 -6.292 -4.703 0.790 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.750 -3.157 1.564 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -6.247 -2.674 2.335 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -6.688 -3.732 4.729 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.873 -3.482 2.847 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -5.578 -3.607 6.928 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -1.794 -3.427 5.067 1.00 0.63 H new ATOM 0 HH TYR A 23 -3.595 -3.887 8.097 1.00 0.74 H new ATOM 373 N HIS A 24 -4.253 -6.228 1.458 1.00 0.50 N ATOM 374 CA HIS A 24 -3.298 -7.271 1.781 1.00 0.57 C ATOM 375 C HIS A 24 -1.963 -6.938 1.189 1.00 0.60 C ATOM 376 O HIS A 24 -1.702 -7.164 0.017 1.00 0.58 O ATOM 377 CB HIS A 24 -3.824 -8.653 1.368 1.00 0.61 C ATOM 378 CG HIS A 24 -2.766 -9.655 1.047 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.612 -9.749 1.773 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.685 -10.601 0.083 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.860 -10.703 1.286 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.485 -11.242 0.255 1.00 0.94 N ATOM 0 H HIS A 24 -4.058 -5.734 0.587 1.00 0.50 H new ATOM 0 HA HIS A 24 -3.164 -7.321 2.862 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.444 -9.046 2.174 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -4.469 -8.535 0.497 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -3.424 -10.811 -0.676 1.00 0.85 H new ATOM 0 HE1 HIS A 24 0.108 -10.999 1.663 1.00 0.88 H new ATOM 0 HE2 HIS A 24 -1.133 -12.009 -0.319 1.00 0.94 H new ATOM 391 N CYS A 25 -1.124 -6.391 2.032 1.00 0.71 N ATOM 392 CA CYS A 25 0.208 -6.050 1.644 1.00 0.74 C ATOM 393 C CYS A 25 1.181 -6.828 2.506 1.00 0.91 C ATOM 394 O CYS A 25 0.989 -6.944 3.715 1.00 1.01 O ATOM 395 CB CYS A 25 0.423 -4.547 1.784 1.00 0.79 C ATOM 396 SG CYS A 25 1.593 -3.872 0.573 1.00 1.12 S ATOM 0 H CYS A 25 -1.351 -6.173 3.002 1.00 0.71 H new ATOM 0 HA CYS A 25 0.375 -6.312 0.599 1.00 0.74 H new ATOM 0 HB2 CYS A 25 -0.535 -4.039 1.675 1.00 0.79 H new ATOM 0 HB3 CYS A 25 0.786 -4.331 2.789 1.00 0.79 H new ATOM 401 N ARG A 26 2.191 -7.396 1.884 1.00 1.14 N ATOM 402 CA ARG A 26 3.194 -8.155 2.605 1.00 1.38 C ATOM 403 C ARG A 26 4.532 -7.937 1.929 1.00 1.87 C ATOM 404 O ARG A 26 4.570 -7.611 0.743 1.00 2.24 O ATOM 405 CB ARG A 26 2.849 -9.618 2.744 1.00 1.45 C ATOM 406 CG ARG A 26 3.512 -10.227 3.981 1.00 2.13 C ATOM 407 CD ARG A 26 3.283 -9.397 5.241 1.00 2.66 C ATOM 408 NE ARG A 26 4.339 -8.401 5.458 1.00 3.26 N ATOM 409 CZ ARG A 26 5.056 -8.306 6.581 1.00 4.00 C ATOM 410 NH1 ARG A 26 4.827 -9.128 7.598 1.00 4.21 N ATOM 411 NH2 ARG A 26 5.999 -7.379 6.687 1.00 4.86 N ATOM 0 H ARG A 26 2.341 -7.347 0.876 1.00 1.14 H new ATOM 0 HA ARG A 26 3.239 -7.791 3.632 1.00 1.38 H new ATOM 0 HB2 ARG A 26 1.767 -9.734 2.813 1.00 1.45 H new ATOM 0 HB3 ARG A 26 3.171 -10.157 1.853 1.00 1.45 H new ATOM 0 HG2 ARG A 26 3.123 -11.233 4.138 1.00 2.13 H new ATOM 0 HG3 ARG A 26 4.583 -10.323 3.804 1.00 2.13 H new ATOM 0 HD2 ARG A 26 2.320 -8.891 5.169 1.00 2.66 H new ATOM 0 HD3 ARG A 26 3.231 -10.060 6.104 1.00 2.66 H new ATOM 0 HE ARG A 26 4.537 -7.741 4.706 1.00 3.26 H new ATOM 0 HH11 ARG A 26 4.099 -9.839 7.525 1.00 4.21 H new ATOM 0 HH12 ARG A 26 5.379 -9.049 8.452 1.00 4.21 H new ATOM 0 HH21 ARG A 26 6.176 -6.740 5.912 1.00 4.86 H new ATOM 0 HH22 ARG A 26 6.547 -7.305 7.544 1.00 4.86 H new ATOM 425 N SER A 27 5.617 -8.117 2.654 1.00 2.10 N ATOM 426 CA SER A 27 6.806 -7.365 2.359 1.00 2.66 C ATOM 427 C SER A 27 7.941 -8.191 1.799 1.00 2.39 C ATOM 428 O SER A 27 8.545 -8.995 2.487 1.00 2.70 O ATOM 429 CB SER A 27 7.259 -6.644 3.606 1.00 3.73 C ATOM 430 OG SER A 27 6.176 -5.969 4.227 1.00 4.43 O ATOM 0 H SER A 27 5.695 -8.766 3.437 1.00 2.10 H new ATOM 0 HA SER A 27 6.539 -6.659 1.572 1.00 2.66 H new ATOM 0 HB2 SER A 27 7.695 -7.358 4.305 1.00 3.73 H new ATOM 0 HB3 SER A 27 8.041 -5.928 3.352 1.00 3.73 H new ATOM 0 HG SER A 27 5.701 -5.430 3.561 1.00 4.43 H new ATOM 436 N GLY A 28 8.182 -7.986 0.525 1.00 2.45 N ATOM 437 CA GLY A 28 9.442 -8.342 -0.082 1.00 2.54 C ATOM 438 C GLY A 28 9.683 -9.816 -0.143 1.00 2.68 C ATOM 439 O GLY A 28 10.471 -10.354 0.639 1.00 3.22 O ATOM 0 H GLY A 28 7.510 -7.568 -0.119 1.00 2.45 H new ATOM 0 HA2 GLY A 28 9.477 -7.935 -1.092 1.00 2.54 H new ATOM 0 HA3 GLY A 28 10.251 -7.873 0.478 1.00 2.54 H new ATOM 443 N ASN A 29 9.009 -10.467 -1.079 1.00 2.60 N ATOM 444 CA ASN A 29 9.001 -11.939 -1.163 1.00 2.96 C ATOM 445 C ASN A 29 8.392 -12.581 0.101 1.00 2.76 C ATOM 446 O ASN A 29 7.912 -13.716 0.066 1.00 3.04 O ATOM 447 CB ASN A 29 10.427 -12.467 -1.408 1.00 3.49 C ATOM 448 CG ASN A 29 10.519 -13.983 -1.383 1.00 4.17 C ATOM 449 OD1 ASN A 29 10.801 -14.584 -0.345 1.00 4.66 O ATOM 450 ND2 ASN A 29 10.285 -14.610 -2.525 1.00 4.63 N ATOM 0 H ASN A 29 8.454 -10.005 -1.800 1.00 2.60 H new ATOM 0 HA ASN A 29 8.370 -12.221 -2.006 1.00 2.96 H new ATOM 0 HB2 ASN A 29 10.780 -12.104 -2.373 1.00 3.49 H new ATOM 0 HB3 ASN A 29 11.094 -12.057 -0.650 1.00 3.49 H new ATOM 0 HD21 ASN A 29 10.335 -15.628 -2.568 1.00 4.63 H new ATOM 0 HD22 ASN A 29 10.055 -14.075 -3.362 1.00 4.63 H new ATOM 457 N THR A 30 8.381 -11.833 1.201 1.00 2.45 N ATOM 458 CA THR A 30 7.849 -12.287 2.456 1.00 2.33 C ATOM 459 C THR A 30 6.362 -12.000 2.453 1.00 2.07 C ATOM 460 O THR A 30 5.947 -10.876 2.704 1.00 2.10 O ATOM 461 CB THR A 30 8.568 -11.543 3.607 1.00 2.45 C ATOM 462 OG1 THR A 30 9.966 -11.863 3.568 1.00 2.93 O ATOM 463 CG2 THR A 30 8.005 -11.877 4.974 1.00 2.70 C ATOM 0 H THR A 30 8.750 -10.883 1.233 1.00 2.45 H new ATOM 0 HA THR A 30 8.008 -13.356 2.599 1.00 2.33 H new ATOM 0 HB THR A 30 8.408 -10.475 3.456 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.460 -11.122 3.158 1.00 2.93 H new ATOM 0 HG21 THR A 30 8.552 -11.324 5.738 1.00 2.70 H new ATOM 0 HG22 THR A 30 6.951 -11.601 5.011 1.00 2.70 H new ATOM 0 HG23 THR A 30 8.107 -12.946 5.158 1.00 2.70 H new ATOM 471 N ASN A 31 5.569 -13.011 2.128 1.00 1.97 N ATOM 472 CA ASN A 31 4.146 -12.810 1.905 1.00 1.75 C ATOM 473 C ASN A 31 3.318 -13.592 2.907 1.00 1.78 C ATOM 474 O ASN A 31 3.559 -14.778 3.136 1.00 2.34 O ATOM 475 CB ASN A 31 3.767 -13.205 0.474 1.00 2.09 C ATOM 476 CG ASN A 31 2.310 -12.917 0.162 1.00 2.43 C ATOM 477 OD1 ASN A 31 1.706 -12.013 0.739 1.00 2.89 O ATOM 478 ND2 ASN A 31 1.741 -13.675 -0.760 1.00 2.98 N ATOM 0 H ASN A 31 5.885 -13.974 2.013 1.00 1.97 H new ATOM 0 HA ASN A 31 3.931 -11.751 2.045 1.00 1.75 H new ATOM 0 HB2 ASN A 31 4.400 -12.664 -0.229 1.00 2.09 H new ATOM 0 HB3 ASN A 31 3.964 -14.267 0.329 1.00 2.09 H new ATOM 0 HD21 ASN A 31 0.766 -13.521 -1.017 1.00 2.98 H new ATOM 0 HD22 ASN A 31 2.277 -14.414 -1.215 1.00 2.98 H new ATOM 485 N VAL A 32 2.349 -12.918 3.519 1.00 1.39 N ATOM 486 CA VAL A 32 1.523 -13.556 4.538 1.00 1.52 C ATOM 487 C VAL A 32 0.050 -13.600 4.124 1.00 1.38 C ATOM 488 O VAL A 32 -0.465 -14.652 3.745 1.00 2.10 O ATOM 489 CB VAL A 32 1.678 -12.846 5.906 1.00 2.13 C ATOM 490 CG1 VAL A 32 0.723 -13.418 6.943 1.00 2.68 C ATOM 491 CG2 VAL A 32 3.115 -12.948 6.400 1.00 2.64 C ATOM 0 H VAL A 32 2.118 -11.942 3.330 1.00 1.39 H new ATOM 0 HA VAL A 32 1.874 -14.583 4.640 1.00 1.52 H new ATOM 0 HB VAL A 32 1.426 -11.795 5.763 1.00 2.13 H new ATOM 0 HG11 VAL A 32 0.859 -12.896 7.890 1.00 2.68 H new ATOM 0 HG12 VAL A 32 -0.304 -13.289 6.602 1.00 2.68 H new ATOM 0 HG13 VAL A 32 0.929 -14.480 7.081 1.00 2.68 H new ATOM 0 HG21 VAL A 32 3.206 -12.444 7.362 1.00 2.64 H new ATOM 0 HG22 VAL A 32 3.387 -13.997 6.513 1.00 2.64 H new ATOM 0 HG23 VAL A 32 3.782 -12.476 5.679 1.00 2.64 H new ATOM 501 N GLY A 33 -0.615 -12.457 4.187 1.00 1.00 N ATOM 502 CA GLY A 33 -2.027 -12.394 3.850 1.00 1.43 C ATOM 503 C GLY A 33 -2.761 -11.472 4.792 1.00 0.99 C ATOM 504 O GLY A 33 -2.506 -11.493 5.996 1.00 1.13 O ATOM 0 H GLY A 33 -0.203 -11.567 4.466 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -2.146 -12.044 2.825 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -2.462 -13.392 3.898 1.00 1.43 H new ATOM 508 N VAL A 34 -3.659 -10.646 4.266 1.00 0.80 N ATOM 509 CA VAL A 34 -4.268 -9.623 5.087 1.00 0.56 C ATOM 510 C VAL A 34 -5.800 -9.799 5.210 1.00 0.63 C ATOM 511 O VAL A 34 -6.346 -10.825 4.808 1.00 1.03 O ATOM 512 CB VAL A 34 -3.823 -8.228 4.649 1.00 0.89 C ATOM 513 CG1 VAL A 34 -4.288 -7.121 5.586 1.00 1.17 C ATOM 514 CG2 VAL A 34 -2.298 -8.201 4.572 1.00 1.06 C ATOM 0 H VAL A 34 -3.972 -10.668 3.295 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.902 -9.744 6.107 1.00 0.56 H new ATOM 0 HB VAL A 34 -4.281 -8.036 3.679 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -3.937 -6.158 5.214 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -5.377 -7.117 5.632 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -3.883 -7.295 6.583 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -1.967 -7.210 4.260 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -1.880 -8.432 5.552 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -1.957 -8.942 3.849 1.00 1.06 H new ATOM 524 N GLN A 35 -6.464 -8.796 5.761 1.00 0.63 N ATOM 525 CA GLN A 35 -7.785 -8.850 6.263 1.00 0.85 C ATOM 526 C GLN A 35 -8.321 -7.410 6.168 1.00 0.70 C ATOM 527 O GLN A 35 -7.653 -6.557 5.580 1.00 0.82 O ATOM 528 CB GLN A 35 -7.707 -9.376 7.699 1.00 1.45 C ATOM 529 CG GLN A 35 -9.007 -9.336 8.435 1.00 2.06 C ATOM 530 CD GLN A 35 -9.030 -10.243 9.648 1.00 2.71 C ATOM 531 OE1 GLN A 35 -8.646 -9.840 10.748 1.00 3.16 O ATOM 532 NE2 GLN A 35 -9.484 -11.471 9.459 1.00 3.28 N ATOM 0 H GLN A 35 -6.047 -7.871 5.866 1.00 0.63 H new ATOM 0 HA GLN A 35 -8.455 -9.513 5.715 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -7.345 -10.404 7.679 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -6.972 -8.790 8.250 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -9.208 -8.312 8.750 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -9.811 -9.625 7.757 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -9.792 -11.764 8.532 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -9.526 -12.125 10.241 1.00 3.28 H new ATOM 541 N TYR A 36 -9.475 -7.117 6.732 1.00 0.78 N ATOM 542 CA TYR A 36 -10.094 -5.816 6.538 1.00 0.73 C ATOM 543 C TYR A 36 -9.449 -4.762 7.411 1.00 0.78 C ATOM 544 O TYR A 36 -9.025 -5.031 8.534 1.00 1.06 O ATOM 545 CB TYR A 36 -11.594 -5.876 6.864 1.00 0.94 C ATOM 546 CG TYR A 36 -12.422 -6.821 6.011 1.00 1.62 C ATOM 547 CD1 TYR A 36 -11.915 -8.028 5.543 1.00 2.09 C ATOM 548 CD2 TYR A 36 -13.735 -6.504 5.697 1.00 2.13 C ATOM 549 CE1 TYR A 36 -12.687 -8.883 4.786 1.00 3.04 C ATOM 550 CE2 TYR A 36 -14.513 -7.352 4.939 1.00 3.13 C ATOM 551 CZ TYR A 36 -13.986 -8.540 4.484 1.00 3.57 C ATOM 552 OH TYR A 36 -14.760 -9.395 3.732 1.00 4.60 O ATOM 0 H TYR A 36 -10.003 -7.756 7.326 1.00 0.78 H new ATOM 0 HA TYR A 36 -9.953 -5.547 5.491 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -11.708 -6.167 7.908 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -12.008 -4.872 6.766 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -10.897 -8.301 5.777 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -14.156 -5.575 6.053 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -12.275 -9.817 4.432 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -15.533 -7.086 4.703 1.00 3.13 H new ATOM 0 HH TYR A 36 -15.491 -8.893 3.315 1.00 4.60 H new ATOM 562 N LEU A 37 -9.380 -3.559 6.872 1.00 0.72 N ATOM 563 CA LEU A 37 -8.928 -2.417 7.624 1.00 0.89 C ATOM 564 C LEU A 37 -10.078 -1.436 7.677 1.00 0.70 C ATOM 565 O LEU A 37 -10.642 -1.054 6.635 1.00 0.61 O ATOM 566 CB LEU A 37 -7.678 -1.752 7.009 1.00 1.23 C ATOM 567 CG LEU A 37 -6.639 -1.243 8.027 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.235 -0.194 8.947 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.068 -2.386 8.852 1.00 2.57 C ATOM 0 H LEU A 37 -9.635 -3.353 5.906 1.00 0.72 H new ATOM 0 HA LEU A 37 -8.630 -2.740 8.622 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -7.193 -2.469 6.347 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.999 -0.913 6.391 1.00 1.23 H new ATOM 0 HG LEU A 37 -5.830 -0.787 7.456 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -6.476 0.144 9.653 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.584 0.653 8.356 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -8.074 -0.624 9.494 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -5.338 -1.994 9.561 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -6.873 -2.880 9.396 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -5.583 -3.104 8.191 1.00 2.57 H new ATOM 581 N ASN A 38 -10.466 -1.088 8.887 1.00 0.78 N ATOM 582 CA ASN A 38 -11.556 -0.166 9.094 1.00 0.73 C ATOM 583 C ASN A 38 -11.079 1.245 9.120 1.00 0.68 C ATOM 584 O ASN A 38 -9.880 1.525 9.149 1.00 0.75 O ATOM 585 CB ASN A 38 -12.296 -0.445 10.389 1.00 0.94 C ATOM 586 CG ASN A 38 -11.375 -0.770 11.550 1.00 1.62 C ATOM 587 OD1 ASN A 38 -11.022 -1.927 11.770 1.00 2.32 O ATOM 588 ND2 ASN A 38 -10.985 0.247 12.303 1.00 2.29 N ATOM 0 H ASN A 38 -10.037 -1.434 9.745 1.00 0.78 H new ATOM 0 HA ASN A 38 -12.235 -0.309 8.254 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -12.902 0.424 10.647 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.982 -1.278 10.235 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -10.369 0.085 13.100 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -11.301 1.192 12.086 1.00 2.29 H new ATOM 595 N PHE A 39 -12.033 2.134 9.157 1.00 0.68 N ATOM 596 CA PHE A 39 -11.717 3.539 9.105 1.00 0.72 C ATOM 597 C PHE A 39 -11.262 4.040 10.464 1.00 0.83 C ATOM 598 O PHE A 39 -11.975 3.901 11.457 1.00 1.66 O ATOM 599 CB PHE A 39 -12.890 4.363 8.597 1.00 0.85 C ATOM 600 CG PHE A 39 -12.559 5.823 8.539 1.00 1.07 C ATOM 601 CD1 PHE A 39 -11.928 6.352 7.429 1.00 1.35 C ATOM 602 CD2 PHE A 39 -12.942 6.671 9.559 1.00 1.43 C ATOM 603 CE1 PHE A 39 -11.689 7.707 7.326 1.00 1.80 C ATOM 604 CE2 PHE A 39 -12.692 8.030 9.470 1.00 1.87 C ATOM 605 CZ PHE A 39 -11.822 8.498 8.514 1.00 2.03 C ATOM 0 H PHE A 39 -13.027 1.916 9.222 1.00 0.68 H new ATOM 0 HA PHE A 39 -10.898 3.661 8.397 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.176 4.015 7.604 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.751 4.211 9.248 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -11.617 5.695 6.630 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -13.439 6.272 10.431 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -11.412 8.156 6.384 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -13.177 8.718 10.147 1.00 1.87 H new ATOM 0 HZ PHE A 39 -11.267 9.414 8.651 1.00 2.03 H new ATOM 615 N LYS A 40 -10.062 4.604 10.498 1.00 0.86 N ATOM 616 CA LYS A 40 -9.522 5.191 11.714 1.00 0.97 C ATOM 617 C LYS A 40 -8.284 6.012 11.385 1.00 0.72 C ATOM 618 O LYS A 40 -8.146 7.153 11.825 1.00 1.17 O ATOM 619 CB LYS A 40 -9.166 4.106 12.725 1.00 1.52 C ATOM 620 CG LYS A 40 -9.256 4.568 14.171 1.00 2.18 C ATOM 621 CD LYS A 40 -8.875 3.458 15.137 1.00 2.89 C ATOM 622 CE LYS A 40 -7.373 3.222 15.163 1.00 3.36 C ATOM 623 NZ LYS A 40 -6.655 4.336 15.831 1.00 3.76 N ATOM 0 H LYS A 40 -9.442 4.667 9.691 1.00 0.86 H new ATOM 0 HA LYS A 40 -10.282 5.838 12.152 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -9.832 3.255 12.582 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -8.153 3.755 12.527 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -8.598 5.424 14.322 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -10.271 4.904 14.384 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -9.220 3.714 16.139 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -9.383 2.537 14.851 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -7.160 2.288 15.683 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -7.004 3.111 14.143 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -5.680 4.043 16.043 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -6.639 5.165 15.203 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -7.143 4.582 16.716 1.00 3.76 H new ATOM 637 N GLY A 41 -7.381 5.425 10.608 1.00 0.71 N ATOM 638 CA GLY A 41 -6.171 6.122 10.237 1.00 1.13 C ATOM 639 C GLY A 41 -5.330 5.348 9.246 1.00 0.94 C ATOM 640 O GLY A 41 -5.857 4.691 8.349 1.00 1.09 O ATOM 0 H GLY A 41 -7.468 4.481 10.231 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.431 7.090 9.808 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -5.581 6.318 11.132 1.00 1.13 H new ATOM 644 N THR A 42 -4.022 5.434 9.416 1.00 0.82 N ATOM 645 CA THR A 42 -3.075 4.757 8.548 1.00 0.68 C ATOM 646 C THR A 42 -2.855 3.312 8.967 1.00 0.65 C ATOM 647 O THR A 42 -3.196 2.907 10.080 1.00 0.75 O ATOM 648 CB THR A 42 -1.732 5.495 8.550 1.00 0.69 C ATOM 649 OG1 THR A 42 -1.575 6.224 9.776 1.00 0.81 O ATOM 650 CG2 THR A 42 -1.640 6.435 7.365 1.00 0.71 C ATOM 0 H THR A 42 -3.586 5.977 10.162 1.00 0.82 H new ATOM 0 HA THR A 42 -3.499 4.760 7.544 1.00 0.68 H new ATOM 0 HB THR A 42 -0.930 4.761 8.469 1.00 0.69 H new ATOM 0 HG1 THR A 42 -0.714 6.692 9.771 1.00 0.81 H new ATOM 0 HG21 THR A 42 -0.680 6.950 7.383 1.00 0.71 H new ATOM 0 HG22 THR A 42 -1.728 5.865 6.440 1.00 0.71 H new ATOM 0 HG23 THR A 42 -2.446 7.167 7.418 1.00 0.71 H new ATOM 658 N ARG A 43 -2.284 2.545 8.061 1.00 0.58 N ATOM 659 CA ARG A 43 -1.928 1.168 8.317 1.00 0.58 C ATOM 660 C ARG A 43 -0.533 0.942 7.778 1.00 0.52 C ATOM 661 O ARG A 43 -0.327 0.940 6.568 1.00 0.50 O ATOM 662 CB ARG A 43 -2.912 0.212 7.639 1.00 0.67 C ATOM 663 CG ARG A 43 -2.527 -1.249 7.790 1.00 0.86 C ATOM 664 CD ARG A 43 -2.255 -1.625 9.240 1.00 1.27 C ATOM 665 NE ARG A 43 -1.778 -3.002 9.355 1.00 1.59 N ATOM 666 CZ ARG A 43 -0.901 -3.423 10.266 1.00 2.26 C ATOM 667 NH1 ARG A 43 -0.403 -2.576 11.160 1.00 2.74 N ATOM 668 NH2 ARG A 43 -0.520 -4.695 10.276 1.00 3.01 N ATOM 0 H ARG A 43 -2.053 2.864 7.120 1.00 0.58 H new ATOM 0 HA ARG A 43 -1.964 0.972 9.389 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.906 0.365 8.060 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.974 0.457 6.579 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.327 -1.876 7.398 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -1.640 -1.453 7.191 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -1.514 -0.946 9.660 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -3.166 -1.504 9.826 1.00 1.27 H new ATOM 0 HE ARG A 43 -2.141 -3.688 8.693 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -0.692 -1.598 11.152 1.00 2.74 H new ATOM 0 HH12 ARG A 43 0.268 -2.904 11.855 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -0.898 -5.346 9.588 1.00 3.01 H new ATOM 0 HH22 ARG A 43 0.151 -5.021 10.972 1.00 3.01 H new ATOM 682 N ILE A 44 0.430 0.776 8.660 1.00 0.52 N ATOM 683 CA ILE A 44 1.808 0.749 8.226 1.00 0.51 C ATOM 684 C ILE A 44 2.445 -0.612 8.430 1.00 0.58 C ATOM 685 O ILE A 44 2.338 -1.221 9.493 1.00 0.66 O ATOM 686 CB ILE A 44 2.666 1.830 8.916 1.00 0.53 C ATOM 687 CG1 ILE A 44 2.054 3.215 8.719 1.00 0.56 C ATOM 688 CG2 ILE A 44 4.066 1.823 8.335 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.981 3.583 9.726 1.00 0.61 C ATOM 0 H ILE A 44 0.288 0.660 9.663 1.00 0.52 H new ATOM 0 HA ILE A 44 1.781 0.965 7.158 1.00 0.51 H new ATOM 0 HB ILE A 44 2.703 1.606 9.982 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.849 3.959 8.768 1.00 0.56 H new ATOM 0 HG13 ILE A 44 1.627 3.270 7.717 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.667 2.588 8.826 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.521 0.846 8.495 1.00 0.59 H new ATOM 0 HG23 ILE A 44 4.017 2.030 7.266 1.00 0.59 H new ATOM 0 HD11 ILE A 44 0.605 4.582 9.508 1.00 0.61 H new ATOM 0 HD12 ILE A 44 0.163 2.866 9.664 1.00 0.61 H new ATOM 0 HD13 ILE A 44 1.404 3.566 10.731 1.00 0.61 H new ATOM 701 N ILE A 45 3.104 -1.065 7.384 1.00 0.61 N ATOM 702 CA ILE A 45 3.863 -2.299 7.401 1.00 0.74 C ATOM 703 C ILE A 45 5.324 -1.976 7.176 1.00 0.77 C ATOM 704 O ILE A 45 5.648 -0.897 6.683 1.00 0.79 O ATOM 705 CB ILE A 45 3.387 -3.249 6.318 1.00 0.95 C ATOM 706 CG1 ILE A 45 1.962 -3.575 6.529 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.199 -4.530 6.251 1.00 1.62 C ATOM 708 CD1 ILE A 45 1.249 -3.666 5.225 1.00 1.20 C ATOM 0 H ILE A 45 3.128 -0.581 6.487 1.00 0.61 H new ATOM 0 HA ILE A 45 3.722 -2.784 8.367 1.00 0.74 H new ATOM 0 HB ILE A 45 3.523 -2.736 5.366 1.00 0.95 H new ATOM 0 HG12 ILE A 45 1.875 -4.520 7.065 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.497 -2.811 7.152 1.00 1.11 H new ATOM 0 HG21 ILE A 45 3.809 -5.167 5.457 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.242 -4.289 6.044 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.130 -5.055 7.204 1.00 1.62 H new ATOM 0 HD11 ILE A 45 0.200 -3.907 5.400 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.320 -2.711 4.704 1.00 1.20 H new ATOM 0 HD13 ILE A 45 1.704 -4.447 4.615 1.00 1.20 H new ATOM 720 N LYS A 46 6.210 -2.875 7.534 1.00 0.90 N ATOM 721 CA LYS A 46 7.615 -2.654 7.261 1.00 0.97 C ATOM 722 C LYS A 46 8.350 -3.952 6.954 1.00 1.10 C ATOM 723 O LYS A 46 7.791 -5.042 7.066 1.00 1.20 O ATOM 724 CB LYS A 46 8.307 -1.884 8.401 1.00 1.10 C ATOM 725 CG LYS A 46 8.075 -2.435 9.809 1.00 1.35 C ATOM 726 CD LYS A 46 6.722 -2.020 10.386 1.00 1.85 C ATOM 727 CE LYS A 46 6.564 -0.503 10.473 1.00 2.11 C ATOM 728 NZ LYS A 46 7.582 0.125 11.358 1.00 2.65 N ATOM 0 H LYS A 46 5.992 -3.752 8.007 1.00 0.90 H new ATOM 0 HA LYS A 46 7.662 -2.033 6.366 1.00 0.97 H new ATOM 0 HB2 LYS A 46 9.380 -1.872 8.208 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.966 -0.849 8.375 1.00 1.10 H new ATOM 0 HG2 LYS A 46 8.137 -3.523 9.784 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.870 -2.085 10.468 1.00 1.35 H new ATOM 0 HD2 LYS A 46 5.925 -2.430 9.766 1.00 1.85 H new ATOM 0 HD3 LYS A 46 6.607 -2.452 11.380 1.00 1.85 H new ATOM 0 HE2 LYS A 46 6.642 -0.075 9.474 1.00 2.11 H new ATOM 0 HE3 LYS A 46 5.567 -0.265 10.845 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 7.105 0.690 12.089 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 8.153 -0.617 11.811 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 8.201 0.741 10.793 1.00 2.65 H new ATOM 742 N PHE A 47 9.607 -3.800 6.561 1.00 1.20 N ATOM 743 CA PHE A 47 10.445 -4.887 6.101 1.00 1.41 C ATOM 744 C PHE A 47 11.837 -4.305 5.991 1.00 1.59 C ATOM 745 O PHE A 47 11.979 -3.085 5.901 1.00 1.68 O ATOM 746 CB PHE A 47 9.939 -5.429 4.756 1.00 1.50 C ATOM 747 CG PHE A 47 10.679 -6.634 4.226 1.00 1.87 C ATOM 748 CD1 PHE A 47 11.700 -6.506 3.278 1.00 2.53 C ATOM 749 CD2 PHE A 47 10.349 -7.905 4.674 1.00 2.17 C ATOM 750 CE1 PHE A 47 12.354 -7.619 2.799 1.00 3.14 C ATOM 751 CE2 PHE A 47 11.010 -9.016 4.195 1.00 2.69 C ATOM 752 CZ PHE A 47 12.074 -8.830 3.244 1.00 3.10 C ATOM 0 H PHE A 47 10.078 -2.896 6.555 1.00 1.20 H new ATOM 0 HA PHE A 47 10.432 -5.736 6.785 1.00 1.41 H new ATOM 0 HB2 PHE A 47 8.885 -5.687 4.860 1.00 1.50 H new ATOM 0 HB3 PHE A 47 10.000 -4.631 4.016 1.00 1.50 H new ATOM 0 HD1 PHE A 47 11.977 -5.526 2.919 1.00 2.53 H new ATOM 0 HD2 PHE A 47 9.565 -8.025 5.407 1.00 2.17 H new ATOM 0 HE1 PHE A 47 13.114 -7.498 2.041 1.00 3.14 H new ATOM 0 HE2 PHE A 47 10.735 -10.006 4.527 1.00 2.69 H new ATOM 0 HZ PHE A 47 12.642 -9.679 2.895 1.00 3.10 H new ATOM 762 N LYS A 48 12.860 -5.125 6.038 1.00 1.83 N ATOM 763 CA LYS A 48 14.186 -4.586 6.231 1.00 2.13 C ATOM 764 C LYS A 48 15.274 -5.479 5.638 1.00 2.50 C ATOM 765 O LYS A 48 16.294 -5.751 6.281 1.00 3.01 O ATOM 766 CB LYS A 48 14.380 -4.383 7.726 1.00 2.46 C ATOM 767 CG LYS A 48 14.126 -5.648 8.540 1.00 3.10 C ATOM 768 CD LYS A 48 14.243 -5.421 10.040 1.00 3.81 C ATOM 769 CE LYS A 48 12.937 -4.929 10.653 1.00 4.36 C ATOM 770 NZ LYS A 48 12.538 -3.594 10.142 1.00 4.90 N ATOM 0 H LYS A 48 12.805 -6.140 5.948 1.00 1.83 H new ATOM 0 HA LYS A 48 14.276 -3.638 5.701 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.397 -4.038 7.911 1.00 2.46 H new ATOM 0 HB3 LYS A 48 13.709 -3.596 8.070 1.00 2.46 H new ATOM 0 HG2 LYS A 48 13.130 -6.027 8.312 1.00 3.10 H new ATOM 0 HG3 LYS A 48 14.837 -6.417 8.238 1.00 3.10 H new ATOM 0 HD2 LYS A 48 14.542 -6.351 10.524 1.00 3.81 H new ATOM 0 HD3 LYS A 48 15.031 -4.693 10.235 1.00 3.81 H new ATOM 0 HE2 LYS A 48 12.146 -5.648 10.440 1.00 4.36 H new ATOM 0 HE3 LYS A 48 13.042 -4.883 11.737 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 11.904 -3.135 10.827 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 13.385 -3.007 10.007 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 12.044 -3.704 9.233 1.00 4.90 H new ATOM 784 N ASP A 49 15.060 -5.922 4.410 1.00 2.76 N ATOM 785 CA ASP A 49 16.042 -6.737 3.703 1.00 3.32 C ATOM 786 C ASP A 49 15.906 -6.495 2.204 1.00 3.36 C ATOM 787 O ASP A 49 16.094 -7.394 1.384 1.00 3.77 O ATOM 788 CB ASP A 49 15.851 -8.225 4.034 1.00 4.26 C ATOM 789 CG ASP A 49 17.057 -9.072 3.659 1.00 4.93 C ATOM 790 OD1 ASP A 49 16.970 -9.831 2.671 1.00 5.45 O ATOM 791 OD2 ASP A 49 18.106 -8.965 4.326 1.00 5.24 O ATOM 0 H ASP A 49 14.211 -5.731 3.877 1.00 2.76 H new ATOM 0 HA ASP A 49 17.044 -6.453 4.023 1.00 3.32 H new ATOM 0 HB2 ASP A 49 15.655 -8.333 5.101 1.00 4.26 H new ATOM 0 HB3 ASP A 49 14.972 -8.599 3.509 1.00 4.26 H new ATOM 796 N ASP A 50 15.601 -5.251 1.855 1.00 3.50 N ATOM 797 CA ASP A 50 15.303 -4.882 0.473 1.00 3.96 C ATOM 798 C ASP A 50 16.571 -4.657 -0.337 1.00 4.13 C ATOM 799 O ASP A 50 16.562 -3.957 -1.351 1.00 4.41 O ATOM 800 CB ASP A 50 14.430 -3.635 0.429 1.00 4.66 C ATOM 801 CG ASP A 50 13.103 -3.836 1.131 1.00 5.23 C ATOM 802 OD1 ASP A 50 12.968 -3.381 2.288 1.00 5.65 O ATOM 803 OD2 ASP A 50 12.204 -4.461 0.533 1.00 5.56 O ATOM 0 H ASP A 50 15.553 -4.474 2.514 1.00 3.50 H new ATOM 0 HA ASP A 50 14.762 -5.715 0.025 1.00 3.96 H new ATOM 0 HB2 ASP A 50 14.962 -2.805 0.894 1.00 4.66 H new ATOM 0 HB3 ASP A 50 14.250 -3.357 -0.609 1.00 4.66 H new ATOM 808 N GLY A 51 17.661 -5.255 0.110 1.00 4.42 N ATOM 809 CA GLY A 51 18.895 -5.201 -0.638 1.00 5.01 C ATOM 810 C GLY A 51 19.155 -6.499 -1.372 1.00 5.12 C ATOM 811 O GLY A 51 20.111 -6.611 -2.141 1.00 5.72 O ATOM 0 H GLY A 51 17.713 -5.780 0.983 1.00 4.42 H new ATOM 0 HA2 GLY A 51 18.853 -4.379 -1.353 1.00 5.01 H new ATOM 0 HA3 GLY A 51 19.723 -4.992 0.039 1.00 5.01 H new ATOM 815 N THR A 52 18.296 -7.480 -1.135 1.00 4.86 N ATOM 816 CA THR A 52 18.442 -8.792 -1.739 1.00 5.25 C ATOM 817 C THR A 52 17.342 -9.041 -2.773 1.00 5.04 C ATOM 818 O THR A 52 16.813 -8.100 -3.359 1.00 4.76 O ATOM 819 CB THR A 52 18.403 -9.889 -0.668 1.00 5.76 C ATOM 820 OG1 THR A 52 17.121 -9.918 -0.024 1.00 5.54 O ATOM 821 CG2 THR A 52 19.491 -9.674 0.374 1.00 6.40 C ATOM 0 H THR A 52 17.485 -7.388 -0.523 1.00 4.86 H new ATOM 0 HA THR A 52 19.409 -8.821 -2.241 1.00 5.25 H new ATOM 0 HB THR A 52 18.578 -10.843 -1.165 1.00 5.76 H new ATOM 0 HG1 THR A 52 17.244 -9.994 0.945 1.00 5.54 H new ATOM 0 HG21 THR A 52 19.441 -10.466 1.121 1.00 6.40 H new ATOM 0 HG22 THR A 52 20.467 -9.694 -0.110 1.00 6.40 H new ATOM 0 HG23 THR A 52 19.345 -8.708 0.858 1.00 6.40 H new ATOM 829 N GLU A 53 17.006 -10.304 -3.005 1.00 5.50 N ATOM 830 CA GLU A 53 15.909 -10.659 -3.896 1.00 5.71 C ATOM 831 C GLU A 53 14.570 -10.380 -3.211 1.00 5.89 C ATOM 832 O GLU A 53 13.502 -10.486 -3.814 1.00 6.33 O ATOM 833 CB GLU A 53 15.987 -12.142 -4.282 1.00 6.53 C ATOM 834 CG GLU A 53 17.354 -12.597 -4.787 1.00 6.78 C ATOM 835 CD GLU A 53 18.334 -12.889 -3.665 1.00 7.39 C ATOM 836 OE1 GLU A 53 19.137 -11.997 -3.322 1.00 7.81 O ATOM 837 OE2 GLU A 53 18.299 -14.011 -3.117 1.00 7.67 O ATOM 0 H GLU A 53 17.481 -11.103 -2.586 1.00 5.50 H new ATOM 0 HA GLU A 53 15.989 -10.054 -4.799 1.00 5.71 H new ATOM 0 HB2 GLU A 53 15.716 -12.744 -3.415 1.00 6.53 H new ATOM 0 HB3 GLU A 53 15.244 -12.342 -5.054 1.00 6.53 H new ATOM 0 HG2 GLU A 53 17.230 -13.492 -5.396 1.00 6.78 H new ATOM 0 HG3 GLU A 53 17.771 -11.826 -5.435 1.00 6.78 H new ATOM 844 N ARG A 54 14.659 -10.007 -1.944 1.00 5.89 N ATOM 845 CA ARG A 54 13.500 -9.785 -1.092 1.00 6.41 C ATOM 846 C ARG A 54 12.908 -8.387 -1.253 1.00 5.90 C ATOM 847 O ARG A 54 12.081 -7.979 -0.462 1.00 6.48 O ATOM 848 CB ARG A 54 13.862 -10.026 0.370 1.00 7.06 C ATOM 849 CG ARG A 54 14.187 -11.474 0.689 1.00 7.90 C ATOM 850 CD ARG A 54 14.595 -11.638 2.142 1.00 8.75 C ATOM 851 NE ARG A 54 14.951 -13.018 2.469 1.00 9.31 N ATOM 852 CZ ARG A 54 16.050 -13.368 3.139 1.00 10.15 C ATOM 853 NH1 ARG A 54 16.959 -12.454 3.470 1.00 10.53 N ATOM 854 NH2 ARG A 54 16.252 -14.640 3.455 1.00 10.77 N ATOM 0 H ARG A 54 15.549 -9.848 -1.472 1.00 5.89 H new ATOM 0 HA ARG A 54 12.739 -10.498 -1.408 1.00 6.41 H new ATOM 0 HB2 ARG A 54 14.719 -9.405 0.630 1.00 7.06 H new ATOM 0 HB3 ARG A 54 13.032 -9.702 0.998 1.00 7.06 H new ATOM 0 HG2 ARG A 54 13.319 -12.099 0.480 1.00 7.90 H new ATOM 0 HG3 ARG A 54 14.992 -11.820 0.041 1.00 7.90 H new ATOM 0 HD2 ARG A 54 15.443 -10.987 2.354 1.00 8.75 H new ATOM 0 HD3 ARG A 54 13.776 -11.315 2.785 1.00 8.75 H new ATOM 0 HE ARG A 54 14.319 -13.759 2.166 1.00 9.31 H new ATOM 0 HH11 ARG A 54 16.818 -11.477 3.211 1.00 10.53 H new ATOM 0 HH12 ARG A 54 17.797 -12.730 3.982 1.00 10.53 H new ATOM 0 HH21 ARG A 54 15.568 -15.347 3.186 1.00 10.77 H new ATOM 0 HH22 ARG A 54 17.091 -14.911 3.967 1.00 10.77 H new ATOM 868 N SER A 55 13.381 -7.625 -2.216 1.00 5.08 N ATOM 869 CA SER A 55 12.899 -6.257 -2.412 1.00 4.86 C ATOM 870 C SER A 55 11.516 -6.197 -3.076 1.00 3.87 C ATOM 871 O SER A 55 11.295 -5.342 -3.936 1.00 3.94 O ATOM 872 CB SER A 55 13.874 -5.510 -3.311 1.00 5.52 C ATOM 873 OG SER A 55 15.217 -5.719 -2.908 1.00 6.28 O ATOM 0 H SER A 55 14.098 -7.921 -2.879 1.00 5.08 H new ATOM 0 HA SER A 55 12.822 -5.806 -1.422 1.00 4.86 H new ATOM 0 HB2 SER A 55 13.747 -5.841 -4.342 1.00 5.52 H new ATOM 0 HB3 SER A 55 13.648 -4.444 -3.288 1.00 5.52 H new ATOM 0 HG SER A 55 15.528 -6.585 -3.244 1.00 6.28 H new ATOM 879 N ARG A 56 10.570 -7.065 -2.712 1.00 3.37 N ATOM 880 CA ARG A 56 9.327 -7.071 -3.475 1.00 2.70 C ATOM 881 C ARG A 56 8.051 -7.347 -2.691 1.00 2.24 C ATOM 882 O ARG A 56 7.736 -8.477 -2.337 1.00 2.47 O ATOM 883 CB ARG A 56 9.487 -7.996 -4.680 1.00 3.43 C ATOM 884 CG ARG A 56 8.474 -7.786 -5.803 1.00 4.15 C ATOM 885 CD ARG A 56 7.142 -8.462 -5.517 1.00 4.75 C ATOM 886 NE ARG A 56 6.201 -8.309 -6.626 1.00 5.53 N ATOM 887 CZ ARG A 56 5.044 -8.960 -6.715 1.00 6.18 C ATOM 888 NH1 ARG A 56 4.670 -9.794 -5.750 1.00 6.21 N ATOM 889 NH2 ARG A 56 4.260 -8.777 -7.769 1.00 7.08 N ATOM 0 H ARG A 56 10.632 -7.733 -1.943 1.00 3.37 H new ATOM 0 HA ARG A 56 9.171 -6.043 -3.802 1.00 2.70 H new ATOM 0 HB2 ARG A 56 10.489 -7.864 -5.088 1.00 3.43 H new ATOM 0 HB3 ARG A 56 9.416 -9.028 -4.337 1.00 3.43 H new ATOM 0 HG2 ARG A 56 8.312 -6.718 -5.948 1.00 4.15 H new ATOM 0 HG3 ARG A 56 8.883 -8.176 -6.735 1.00 4.15 H new ATOM 0 HD2 ARG A 56 7.307 -9.522 -5.325 1.00 4.75 H new ATOM 0 HD3 ARG A 56 6.707 -8.038 -4.612 1.00 4.75 H new ATOM 0 HE ARG A 56 6.447 -7.664 -7.377 1.00 5.53 H new ATOM 0 HH11 ARG A 56 5.271 -9.937 -4.938 1.00 6.21 H new ATOM 0 HH12 ARG A 56 3.782 -10.291 -5.821 1.00 6.21 H new ATOM 0 HH21 ARG A 56 4.544 -8.137 -8.511 1.00 7.08 H new ATOM 0 HH22 ARG A 56 3.373 -9.276 -7.838 1.00 7.08 H new ATOM 903 N TRP A 57 7.287 -6.271 -2.504 1.00 1.83 N ATOM 904 CA TRP A 57 6.031 -6.302 -1.756 1.00 1.49 C ATOM 905 C TRP A 57 4.853 -5.940 -2.665 1.00 1.19 C ATOM 906 O TRP A 57 5.041 -5.325 -3.715 1.00 1.43 O ATOM 907 CB TRP A 57 6.083 -5.330 -0.558 1.00 1.69 C ATOM 908 CG TRP A 57 7.433 -4.686 -0.334 1.00 1.83 C ATOM 909 CD1 TRP A 57 8.609 -5.317 -0.064 1.00 1.56 C ATOM 910 CD2 TRP A 57 7.742 -3.295 -0.347 1.00 2.78 C ATOM 911 NE1 TRP A 57 9.623 -4.420 0.061 1.00 1.85 N ATOM 912 CE2 TRP A 57 9.121 -3.171 -0.096 1.00 2.70 C ATOM 913 CE3 TRP A 57 6.996 -2.144 -0.551 1.00 3.91 C ATOM 914 CZ2 TRP A 57 9.758 -1.944 -0.045 1.00 3.65 C ATOM 915 CZ3 TRP A 57 7.631 -0.929 -0.501 1.00 4.90 C ATOM 916 CH2 TRP A 57 8.996 -0.839 -0.250 1.00 4.75 C ATOM 0 H TRP A 57 7.524 -5.349 -2.869 1.00 1.83 H new ATOM 0 HA TRP A 57 5.890 -7.315 -1.380 1.00 1.49 H new ATOM 0 HB2 TRP A 57 5.341 -4.546 -0.709 1.00 1.69 H new ATOM 0 HB3 TRP A 57 5.797 -5.870 0.345 1.00 1.69 H new ATOM 0 HD1 TRP A 57 8.721 -6.386 0.037 1.00 1.56 H new ATOM 0 HE1 TRP A 57 10.600 -4.649 0.243 1.00 1.85 H new ATOM 0 HE3 TRP A 57 5.935 -2.203 -0.746 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 10.818 -1.868 0.150 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 7.060 -0.026 -0.659 1.00 4.90 H new ATOM 0 HH2 TRP A 57 9.462 0.135 -0.217 1.00 4.75 H new ATOM 927 N ASN A 58 3.644 -6.318 -2.252 1.00 0.91 N ATOM 928 CA ASN A 58 2.430 -6.059 -3.035 1.00 0.71 C ATOM 929 C ASN A 58 1.216 -5.922 -2.101 1.00 0.59 C ATOM 930 O ASN A 58 1.064 -6.721 -1.174 1.00 0.71 O ATOM 931 CB ASN A 58 2.206 -7.215 -4.013 1.00 0.74 C ATOM 932 CG ASN A 58 1.066 -6.972 -4.981 1.00 1.23 C ATOM 933 OD1 ASN A 58 0.799 -5.840 -5.382 1.00 2.05 O ATOM 934 ND2 ASN A 58 0.389 -8.042 -5.370 1.00 1.91 N ATOM 0 H ASN A 58 3.476 -6.808 -1.374 1.00 0.91 H new ATOM 0 HA ASN A 58 2.550 -5.128 -3.589 1.00 0.71 H new ATOM 0 HB2 ASN A 58 3.122 -7.386 -4.578 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.005 -8.125 -3.448 1.00 0.74 H new ATOM 0 HD21 ASN A 58 -0.386 -7.945 -6.026 1.00 1.91 H new ATOM 0 HD22 ASN A 58 0.643 -8.963 -5.014 1.00 1.91 H new ATOM 941 N CYS A 59 0.369 -4.915 -2.325 1.00 0.55 N ATOM 942 CA CYS A 59 -0.851 -4.737 -1.525 1.00 0.50 C ATOM 943 C CYS A 59 -2.071 -5.103 -2.380 1.00 0.44 C ATOM 944 O CYS A 59 -2.116 -4.763 -3.559 1.00 0.56 O ATOM 945 CB CYS A 59 -1.005 -3.280 -1.032 1.00 0.60 C ATOM 946 SG CYS A 59 0.526 -2.463 -0.437 1.00 0.76 S ATOM 0 H CYS A 59 0.502 -4.211 -3.051 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.779 -5.387 -0.653 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.418 -2.684 -1.846 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.737 -3.267 -0.224 1.00 0.60 H new ATOM 951 N LEU A 60 -3.063 -5.788 -1.808 1.00 0.36 N ATOM 952 CA LEU A 60 -4.230 -6.188 -2.568 1.00 0.34 C ATOM 953 C LEU A 60 -5.475 -5.859 -1.783 1.00 0.29 C ATOM 954 O LEU A 60 -5.722 -6.445 -0.738 1.00 0.32 O ATOM 955 CB LEU A 60 -4.173 -7.691 -2.862 1.00 0.44 C ATOM 956 CG LEU A 60 -5.403 -8.278 -3.566 1.00 1.27 C ATOM 957 CD1 LEU A 60 -5.517 -7.751 -4.986 1.00 1.90 C ATOM 958 CD2 LEU A 60 -5.341 -9.796 -3.561 1.00 1.85 C ATOM 0 H LEU A 60 -3.075 -6.072 -0.828 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.249 -5.648 -3.515 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -3.296 -7.889 -3.478 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -4.028 -8.221 -1.921 1.00 0.44 H new ATOM 0 HG LEU A 60 -6.292 -7.966 -3.018 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -6.397 -8.182 -5.464 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -5.610 -6.665 -4.965 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -4.626 -8.027 -5.549 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -6.221 -10.198 -4.064 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -4.442 -10.125 -4.083 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -5.315 -10.156 -2.532 1.00 1.85 H new ATOM 970 N PHE A 61 -6.262 -4.938 -2.288 1.00 0.29 N ATOM 971 CA PHE A 61 -7.489 -4.581 -1.623 1.00 0.28 C ATOM 972 C PHE A 61 -8.602 -5.328 -2.307 1.00 0.37 C ATOM 973 O PHE A 61 -8.623 -5.395 -3.531 1.00 0.48 O ATOM 974 CB PHE A 61 -7.799 -3.084 -1.711 1.00 0.32 C ATOM 975 CG PHE A 61 -6.828 -2.164 -1.037 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.530 -2.043 -1.500 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.234 -1.368 0.024 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.659 -1.153 -0.924 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.363 -0.486 0.602 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.076 -0.370 0.127 1.00 0.37 C ATOM 0 H PHE A 61 -6.075 -4.427 -3.151 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.391 -4.834 -0.567 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -7.857 -2.808 -2.764 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.786 -2.913 -1.282 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.198 -2.656 -2.325 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.245 -1.445 0.396 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.648 -1.068 -1.295 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.686 0.122 1.434 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.394 0.335 0.579 1.00 0.37 H new ATOM 990 N ARG A 62 -9.524 -5.876 -1.544 1.00 0.47 N ATOM 991 CA ARG A 62 -10.511 -6.767 -2.113 1.00 0.66 C ATOM 992 C ARG A 62 -11.639 -7.060 -1.124 1.00 0.89 C ATOM 993 O ARG A 62 -11.647 -6.550 0.001 1.00 1.05 O ATOM 994 CB ARG A 62 -9.850 -8.083 -2.533 1.00 0.84 C ATOM 995 CG ARG A 62 -9.239 -8.861 -1.375 1.00 1.49 C ATOM 996 CD ARG A 62 -8.604 -10.150 -1.859 1.00 1.88 C ATOM 997 NE ARG A 62 -8.136 -10.995 -0.761 1.00 2.29 N ATOM 998 CZ ARG A 62 -7.783 -12.270 -0.914 1.00 2.86 C ATOM 999 NH1 ARG A 62 -7.858 -12.839 -2.111 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -7.365 -12.977 0.126 1.00 3.63 N ATOM 0 H ARG A 62 -9.610 -5.722 -0.539 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.939 -6.272 -2.985 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -10.592 -8.710 -3.028 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.072 -7.870 -3.266 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -8.489 -8.247 -0.876 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -10.009 -9.086 -0.637 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -9.328 -10.705 -2.456 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -7.765 -9.914 -2.513 1.00 1.88 H new ATOM 0 HE ARG A 62 -8.077 -10.586 0.172 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -8.186 -12.300 -2.912 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -7.588 -13.815 -2.229 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -7.313 -12.545 1.048 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -7.096 -13.953 0.004 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.577 -7.901 -1.563 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.715 -8.320 -0.750 1.00 1.48 C ATOM 1016 C GLN A 63 -14.520 -9.365 -1.528 1.00 2.09 C ATOM 1017 O GLN A 63 -15.723 -9.221 -1.730 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.596 -7.109 -0.396 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.324 -7.216 0.940 1.00 2.15 C ATOM 1020 CD GLN A 63 -16.399 -8.284 0.964 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -16.139 -9.436 1.309 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -17.612 -7.910 0.596 1.00 3.03 N ATOM 0 H GLN A 63 -12.567 -8.311 -2.497 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.359 -8.757 0.183 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.972 -6.215 -0.383 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -15.334 -6.971 -1.186 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -14.597 -7.427 1.724 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -15.776 -6.253 1.176 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -17.785 -6.944 0.317 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -18.375 -8.587 0.591 1.00 3.03 H new ATOM 1031 N GLY A 64 -13.829 -10.401 -1.991 1.00 2.55 N ATOM 1032 CA GLY A 64 -14.467 -11.475 -2.739 1.00 3.28 C ATOM 1033 C GLY A 64 -14.791 -11.094 -4.153 1.00 3.41 C ATOM 1034 O GLY A 64 -14.119 -11.566 -5.071 1.00 3.88 O ATOM 0 H GLY A 64 -12.824 -10.519 -1.860 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -13.811 -12.346 -2.745 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -15.384 -11.770 -2.229 1.00 3.28 H new ATOM 1038 N ILE A 65 -15.837 -10.287 -4.322 1.00 3.49 N ATOM 1039 CA ILE A 65 -16.136 -9.609 -5.587 1.00 3.94 C ATOM 1040 C ILE A 65 -16.263 -10.595 -6.773 1.00 4.01 C ATOM 1041 O ILE A 65 -16.360 -11.809 -6.577 1.00 4.32 O ATOM 1042 CB ILE A 65 -15.064 -8.516 -5.838 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -15.573 -7.394 -6.748 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -13.804 -9.127 -6.399 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -16.784 -6.665 -6.206 1.00 5.57 C ATOM 0 H ILE A 65 -16.507 -10.082 -3.581 1.00 3.49 H new ATOM 0 HA ILE A 65 -17.114 -9.134 -5.508 1.00 3.94 H new ATOM 0 HB ILE A 65 -14.838 -8.063 -4.872 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -14.769 -6.675 -6.906 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -15.821 -7.814 -7.723 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -13.064 -8.345 -6.568 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -13.407 -9.855 -5.692 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -14.029 -9.623 -7.343 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -17.084 -5.886 -6.907 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -17.605 -7.370 -6.075 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -16.537 -6.213 -5.245 1.00 5.57 H new ATOM 1057 N ASN A 66 -16.356 -10.064 -7.992 1.00 4.06 N ATOM 1058 CA ASN A 66 -16.253 -10.867 -9.214 1.00 4.27 C ATOM 1059 C ASN A 66 -14.822 -11.407 -9.338 1.00 4.09 C ATOM 1060 O ASN A 66 -14.185 -11.686 -8.321 1.00 4.26 O ATOM 1061 CB ASN A 66 -16.630 -10.012 -10.434 1.00 4.76 C ATOM 1062 CG ASN A 66 -16.915 -10.844 -11.673 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -17.353 -11.988 -11.580 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -16.658 -10.279 -12.841 1.00 6.08 N ATOM 0 H ASN A 66 -16.504 -9.069 -8.162 1.00 4.06 H new ATOM 0 HA ASN A 66 -16.944 -11.709 -9.168 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -17.509 -9.413 -10.194 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -15.819 -9.316 -10.648 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -16.823 -10.796 -13.705 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -16.295 -9.327 -12.878 1.00 6.08 H new ATOM 1071 N MET A 67 -14.322 -11.605 -10.561 1.00 4.09 N ATOM 1072 CA MET A 67 -12.931 -12.016 -10.741 1.00 4.13 C ATOM 1073 C MET A 67 -12.019 -11.140 -9.884 1.00 3.60 C ATOM 1074 O MET A 67 -11.237 -11.661 -9.084 1.00 3.77 O ATOM 1075 CB MET A 67 -12.511 -11.915 -12.210 1.00 4.54 C ATOM 1076 CG MET A 67 -11.055 -12.284 -12.441 1.00 5.19 C ATOM 1077 SD MET A 67 -10.512 -11.981 -14.131 1.00 6.00 S ATOM 1078 CE MET A 67 -8.791 -12.468 -14.016 1.00 6.30 C ATOM 0 H MET A 67 -14.850 -11.489 -11.426 1.00 4.09 H new ATOM 0 HA MET A 67 -12.840 -13.057 -10.430 1.00 4.13 H new ATOM 0 HB2 MET A 67 -13.145 -12.569 -12.809 1.00 4.54 H new ATOM 0 HB3 MET A 67 -12.682 -10.897 -12.561 1.00 4.54 H new ATOM 0 HG2 MET A 67 -10.428 -11.713 -11.756 1.00 5.19 H new ATOM 0 HG3 MET A 67 -10.911 -13.338 -12.202 1.00 5.19 H new ATOM 0 HE1 MET A 67 -8.311 -12.339 -14.986 1.00 6.30 H new ATOM 0 HE2 MET A 67 -8.286 -11.848 -13.276 1.00 6.30 H new ATOM 0 HE3 MET A 67 -8.728 -13.514 -13.716 1.00 6.30 H new ATOM 1088 N LYS A 68 -12.161 -9.814 -10.045 1.00 3.30 N ATOM 1089 CA LYS A 68 -11.569 -8.831 -9.131 1.00 3.12 C ATOM 1090 C LYS A 68 -11.674 -7.406 -9.664 1.00 2.78 C ATOM 1091 O LYS A 68 -10.822 -6.934 -10.417 1.00 3.25 O ATOM 1092 CB LYS A 68 -10.110 -9.129 -8.786 1.00 3.71 C ATOM 1093 CG LYS A 68 -9.203 -9.349 -9.993 1.00 4.30 C ATOM 1094 CD LYS A 68 -7.731 -9.289 -9.617 1.00 4.85 C ATOM 1095 CE LYS A 68 -7.348 -7.927 -9.049 1.00 5.37 C ATOM 1096 NZ LYS A 68 -7.706 -6.811 -9.969 1.00 5.81 N ATOM 0 H LYS A 68 -12.689 -9.397 -10.812 1.00 3.30 H new ATOM 0 HA LYS A 68 -12.158 -8.916 -8.218 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -9.714 -8.302 -8.197 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -10.074 -10.017 -8.155 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -9.424 -10.318 -10.441 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -9.415 -8.593 -10.749 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -7.511 -10.064 -8.883 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -7.122 -9.501 -10.496 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -7.849 -7.781 -8.092 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -6.276 -7.905 -8.855 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -6.905 -6.152 -10.044 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -7.928 -7.194 -10.910 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -8.535 -6.306 -9.596 1.00 5.81 H new ATOM 1110 N PHE A 69 -12.735 -6.729 -9.262 1.00 2.52 N ATOM 1111 CA PHE A 69 -12.830 -5.283 -9.411 1.00 2.44 C ATOM 1112 C PHE A 69 -11.885 -4.632 -8.421 1.00 2.04 C ATOM 1113 O PHE A 69 -11.444 -3.497 -8.584 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.268 -4.839 -9.166 1.00 3.01 C ATOM 1115 CG PHE A 69 -15.223 -5.331 -10.217 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -15.028 -5.020 -11.552 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -16.324 -6.093 -9.867 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -15.909 -5.462 -12.517 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -17.209 -6.539 -10.827 1.00 5.20 C ATOM 1120 CZ PHE A 69 -16.976 -6.256 -12.161 1.00 6.01 C ATOM 0 H PHE A 69 -13.550 -7.160 -8.826 1.00 2.52 H new ATOM 0 HA PHE A 69 -12.550 -4.983 -10.421 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.593 -5.201 -8.190 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.305 -3.750 -9.131 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -14.175 -4.424 -11.841 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -16.493 -6.342 -8.830 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -15.762 -5.186 -13.551 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -18.081 -7.107 -10.538 1.00 5.20 H new ATOM 0 HZ PHE A 69 -17.630 -6.657 -12.921 1.00 6.01 H new ATOM 1130 N PHE A 70 -11.563 -5.415 -7.417 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.707 -5.019 -6.314 1.00 0.92 C ATOM 1132 C PHE A 70 -9.264 -4.785 -6.744 1.00 0.79 C ATOM 1133 O PHE A 70 -8.799 -5.361 -7.729 1.00 1.19 O ATOM 1134 CB PHE A 70 -10.859 -6.027 -5.242 1.00 1.37 C ATOM 1135 CG PHE A 70 -11.939 -5.550 -4.339 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -13.113 -6.269 -4.255 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -11.785 -4.427 -3.559 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -14.111 -5.881 -3.424 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -12.789 -4.022 -2.716 1.00 3.59 C ATOM 1140 CZ PHE A 70 -13.922 -4.582 -2.685 1.00 3.63 C ATOM 0 H PHE A 70 -11.898 -6.375 -7.340 1.00 1.22 H new ATOM 0 HA PHE A 70 -11.016 -4.047 -5.929 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -11.111 -7.000 -5.662 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -9.925 -6.149 -4.694 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -13.239 -7.154 -4.860 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -10.867 -3.860 -3.611 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -15.003 -6.477 -3.297 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -12.604 -3.191 -2.052 1.00 3.59 H new ATOM 0 HZ PHE A 70 -14.740 -4.137 -2.138 1.00 3.63 H new ATOM 1150 N THR A 71 -8.560 -3.935 -6.001 1.00 0.58 N ATOM 1151 CA THR A 71 -7.325 -3.337 -6.511 1.00 0.49 C ATOM 1152 C THR A 71 -6.079 -4.030 -5.997 1.00 0.40 C ATOM 1153 O THR A 71 -6.036 -4.536 -4.880 1.00 0.49 O ATOM 1154 CB THR A 71 -7.228 -1.821 -6.197 1.00 0.56 C ATOM 1155 OG1 THR A 71 -6.357 -1.166 -7.129 1.00 0.81 O ATOM 1156 CG2 THR A 71 -6.712 -1.573 -4.792 1.00 0.48 C ATOM 0 H THR A 71 -8.817 -3.647 -5.057 1.00 0.58 H new ATOM 0 HA THR A 71 -7.375 -3.472 -7.591 1.00 0.49 H new ATOM 0 HB THR A 71 -8.236 -1.414 -6.281 1.00 0.56 H new ATOM 0 HG1 THR A 71 -5.535 -0.891 -6.671 1.00 0.81 H new ATOM 0 HG21 THR A 71 -6.658 -0.500 -4.608 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.388 -2.031 -4.070 1.00 0.48 H new ATOM 0 HG23 THR A 71 -5.719 -2.010 -4.687 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.069 -4.036 -6.838 1.00 0.49 N ATOM 1165 CA GLU A 72 -3.764 -4.519 -6.468 1.00 0.45 C ATOM 1166 C GLU A 72 -2.762 -3.387 -6.615 1.00 0.47 C ATOM 1167 O GLU A 72 -2.411 -3.003 -7.728 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.378 -5.695 -7.358 1.00 0.63 C ATOM 1169 CG GLU A 72 -1.989 -6.240 -7.086 1.00 1.19 C ATOM 1170 CD GLU A 72 -1.571 -7.287 -8.093 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -0.929 -6.925 -9.101 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -1.891 -8.475 -7.887 1.00 1.80 O ATOM 0 H GLU A 72 -5.133 -3.704 -7.800 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.771 -4.861 -5.433 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -4.105 -6.496 -7.222 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.438 -5.384 -8.401 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -1.271 -5.420 -7.100 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -1.961 -6.671 -6.085 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.331 -2.834 -5.498 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.374 -1.744 -5.521 1.00 0.52 C ATOM 1181 C VAL A 73 0.015 -2.290 -5.261 1.00 0.64 C ATOM 1182 O VAL A 73 0.243 -2.938 -4.238 1.00 0.76 O ATOM 1183 CB VAL A 73 -1.670 -0.666 -4.462 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.035 0.652 -4.867 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.157 -0.499 -4.221 1.00 0.53 C ATOM 0 H VAL A 73 -2.627 -3.120 -4.565 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.447 -1.281 -6.505 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.231 -0.996 -3.520 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -1.251 1.407 -4.111 1.00 0.66 H new ATOM 0 HG12 VAL A 73 0.044 0.524 -4.955 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -1.442 0.972 -5.826 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -3.319 0.271 -3.467 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -3.646 -0.206 -5.150 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.577 -1.442 -3.872 1.00 0.53 H new ATOM 1195 N GLU A 74 0.935 -2.054 -6.182 1.00 0.80 N ATOM 1196 CA GLU A 74 2.312 -2.459 -5.970 1.00 0.96 C ATOM 1197 C GLU A 74 2.869 -1.685 -4.792 1.00 0.98 C ATOM 1198 O GLU A 74 3.128 -0.480 -4.883 1.00 1.16 O ATOM 1199 CB GLU A 74 3.196 -2.202 -7.201 1.00 1.24 C ATOM 1200 CG GLU A 74 2.455 -2.082 -8.523 1.00 1.49 C ATOM 1201 CD GLU A 74 1.799 -0.730 -8.695 1.00 1.71 C ATOM 1202 OE1 GLU A 74 2.528 0.280 -8.762 1.00 2.25 O ATOM 1203 OE2 GLU A 74 0.557 -0.671 -8.778 1.00 2.02 O ATOM 0 H GLU A 74 0.756 -1.590 -7.072 1.00 0.80 H new ATOM 0 HA GLU A 74 2.319 -3.532 -5.780 1.00 0.96 H new ATOM 0 HB2 GLU A 74 3.761 -1.285 -7.036 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.921 -3.012 -7.282 1.00 1.24 H new ATOM 0 HG2 GLU A 74 3.152 -2.252 -9.344 1.00 1.49 H new ATOM 0 HG3 GLU A 74 1.696 -2.862 -8.583 1.00 1.49 H new ATOM 1210 N ALA A 75 2.997 -2.396 -3.676 1.00 1.06 N ATOM 1211 CA ALA A 75 3.594 -1.865 -2.466 1.00 1.12 C ATOM 1212 C ALA A 75 4.856 -1.113 -2.797 1.00 1.43 C ATOM 1213 O ALA A 75 5.067 -0.001 -2.347 1.00 1.80 O ATOM 1214 CB ALA A 75 3.946 -2.998 -1.540 1.00 1.02 C ATOM 0 H ALA A 75 2.685 -3.363 -3.590 1.00 1.06 H new ATOM 0 HA ALA A 75 2.879 -1.194 -1.990 1.00 1.12 H new ATOM 0 HB1 ALA A 75 4.395 -2.599 -0.631 1.00 1.02 H new ATOM 0 HB2 ALA A 75 3.043 -3.554 -1.286 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.655 -3.663 -2.032 1.00 1.02 H new ATOM 1220 N TYR A 76 5.695 -1.767 -3.576 1.00 1.71 N ATOM 1221 CA TYR A 76 6.907 -1.178 -4.096 1.00 2.10 C ATOM 1222 C TYR A 76 6.773 -1.124 -5.609 1.00 2.93 C ATOM 1223 O TYR A 76 6.316 -2.086 -6.224 1.00 3.37 O ATOM 1224 CB TYR A 76 8.108 -2.025 -3.683 1.00 2.06 C ATOM 1225 CG TYR A 76 9.452 -1.378 -3.976 1.00 2.42 C ATOM 1226 CD1 TYR A 76 10.166 -1.674 -5.140 1.00 3.02 C ATOM 1227 CD2 TYR A 76 10.009 -0.465 -3.087 1.00 2.63 C ATOM 1228 CE1 TYR A 76 11.383 -1.080 -5.395 1.00 3.55 C ATOM 1229 CE2 TYR A 76 11.226 0.130 -3.341 1.00 3.23 C ATOM 1230 CZ TYR A 76 11.917 -0.207 -4.528 1.00 3.62 C ATOM 1231 OH TYR A 76 13.132 0.409 -4.754 1.00 4.28 O ATOM 0 H TYR A 76 5.550 -2.734 -3.867 1.00 1.71 H new ATOM 0 HA TYR A 76 7.059 -0.174 -3.701 1.00 2.10 H new ATOM 0 HB2 TYR A 76 8.042 -2.234 -2.615 1.00 2.06 H new ATOM 0 HB3 TYR A 76 8.058 -2.984 -4.199 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.758 -2.378 -5.850 1.00 3.02 H new ATOM 0 HD2 TYR A 76 9.478 -0.217 -2.180 1.00 2.63 H new ATOM 0 HE1 TYR A 76 11.914 -1.320 -6.304 1.00 3.55 H new ATOM 0 HE2 TYR A 76 11.645 0.842 -2.645 1.00 3.23 H new ATOM 0 HH TYR A 76 13.002 1.185 -5.338 1.00 4.28 H new ATOM 1241 N ARG A 77 7.150 -0.010 -6.206 1.00 3.45 N ATOM 1242 CA ARG A 77 6.940 0.182 -7.629 1.00 4.39 C ATOM 1243 C ARG A 77 7.991 -0.590 -8.419 1.00 4.69 C ATOM 1244 O ARG A 77 9.189 -0.426 -8.187 1.00 4.62 O ATOM 1245 CB ARG A 77 7.009 1.673 -7.964 1.00 5.09 C ATOM 1246 CG ARG A 77 6.638 2.010 -9.399 1.00 5.52 C ATOM 1247 CD ARG A 77 5.138 1.908 -9.644 1.00 6.16 C ATOM 1248 NE ARG A 77 4.793 2.272 -11.018 1.00 6.62 N ATOM 1249 CZ ARG A 77 3.544 2.385 -11.475 1.00 7.29 C ATOM 1250 NH1 ARG A 77 2.518 2.006 -10.726 1.00 7.66 N ATOM 1251 NH2 ARG A 77 3.326 2.830 -12.707 1.00 7.82 N ATOM 0 H ARG A 77 7.601 0.772 -5.732 1.00 3.45 H new ATOM 0 HA ARG A 77 5.954 -0.195 -7.902 1.00 4.39 H new ATOM 0 HB2 ARG A 77 6.344 2.215 -7.292 1.00 5.09 H new ATOM 0 HB3 ARG A 77 8.020 2.031 -7.769 1.00 5.09 H new ATOM 0 HG2 ARG A 77 6.975 3.020 -9.632 1.00 5.52 H new ATOM 0 HG3 ARG A 77 7.162 1.335 -10.076 1.00 5.52 H new ATOM 0 HD2 ARG A 77 4.804 0.891 -9.441 1.00 6.16 H new ATOM 0 HD3 ARG A 77 4.610 2.562 -8.950 1.00 6.16 H new ATOM 0 HE ARG A 77 5.557 2.451 -11.670 1.00 6.62 H new ATOM 0 HH11 ARG A 77 2.680 1.625 -9.794 1.00 7.66 H new ATOM 0 HH12 ARG A 77 1.566 2.095 -11.082 1.00 7.66 H new ATOM 0 HH21 ARG A 77 4.113 3.085 -13.304 1.00 7.82 H new ATOM 0 HH22 ARG A 77 2.372 2.916 -13.057 1.00 7.82 H new ATOM 1265 N PRO A 78 7.555 -1.443 -9.368 1.00 5.32 N ATOM 1266 CA PRO A 78 8.459 -2.293 -10.154 1.00 5.79 C ATOM 1267 C PRO A 78 9.345 -1.498 -11.105 1.00 6.24 C ATOM 1268 O PRO A 78 10.142 -2.064 -11.854 1.00 6.84 O ATOM 1269 CB PRO A 78 7.516 -3.208 -10.927 1.00 6.56 C ATOM 1270 CG PRO A 78 6.240 -2.449 -11.016 1.00 6.72 C ATOM 1271 CD PRO A 78 6.144 -1.658 -9.742 1.00 5.88 C ATOM 0 HA PRO A 78 9.159 -2.830 -9.514 1.00 5.79 H new ATOM 0 HB2 PRO A 78 7.910 -3.437 -11.917 1.00 6.56 H new ATOM 0 HB3 PRO A 78 7.376 -4.158 -10.412 1.00 6.56 H new ATOM 0 HG2 PRO A 78 6.236 -1.792 -11.886 1.00 6.72 H new ATOM 0 HG3 PRO A 78 5.390 -3.124 -11.122 1.00 6.72 H new ATOM 0 HD2 PRO A 78 5.620 -0.714 -9.893 1.00 5.88 H new ATOM 0 HD3 PRO A 78 5.602 -2.204 -8.970 1.00 5.88 H new ATOM 1279 N ASP A 79 9.192 -0.186 -11.078 1.00 6.17 N ATOM 1280 CA ASP A 79 10.092 0.694 -11.796 1.00 6.76 C ATOM 1281 C ASP A 79 11.318 0.932 -10.931 1.00 6.75 C ATOM 1282 O ASP A 79 11.324 1.817 -10.073 1.00 6.33 O ATOM 1283 CB ASP A 79 9.403 2.015 -12.137 1.00 6.97 C ATOM 1284 CG ASP A 79 8.213 1.839 -13.061 1.00 7.82 C ATOM 1285 OD1 ASP A 79 8.420 1.521 -14.250 1.00 8.31 O ATOM 1286 OD2 ASP A 79 7.064 2.024 -12.603 1.00 8.19 O ATOM 0 H ASP A 79 8.451 0.293 -10.565 1.00 6.17 H new ATOM 0 HA ASP A 79 10.388 0.231 -12.737 1.00 6.76 H new ATOM 0 HB2 ASP A 79 9.073 2.495 -11.216 1.00 6.97 H new ATOM 0 HB3 ASP A 79 10.124 2.685 -12.605 1.00 6.97 H new ATOM 1291 N LEU A 80 12.369 0.161 -11.196 1.00 7.42 N ATOM 1292 CA LEU A 80 13.526 0.096 -10.309 1.00 7.70 C ATOM 1293 C LEU A 80 14.464 1.274 -10.531 1.00 7.67 C ATOM 1294 O LEU A 80 15.522 1.377 -9.908 1.00 7.65 O ATOM 1295 CB LEU A 80 14.263 -1.228 -10.501 1.00 8.65 C ATOM 1296 CG LEU A 80 15.277 -1.588 -9.409 1.00 9.25 C ATOM 1297 CD1 LEU A 80 14.585 -1.729 -8.059 1.00 9.43 C ATOM 1298 CD2 LEU A 80 16.010 -2.870 -9.767 1.00 9.75 C ATOM 0 H LEU A 80 12.443 -0.431 -12.023 1.00 7.42 H new ATOM 0 HA LEU A 80 13.168 0.153 -9.281 1.00 7.70 H new ATOM 0 HB2 LEU A 80 13.525 -2.028 -10.564 1.00 8.65 H new ATOM 0 HB3 LEU A 80 14.783 -1.198 -11.458 1.00 8.65 H new ATOM 0 HG LEU A 80 16.006 -0.781 -9.338 1.00 9.25 H new ATOM 0 HD11 LEU A 80 15.322 -1.985 -7.297 1.00 9.43 H new ATOM 0 HD12 LEU A 80 14.104 -0.787 -7.797 1.00 9.43 H new ATOM 0 HD13 LEU A 80 13.834 -2.517 -8.116 1.00 9.43 H new ATOM 0 HD21 LEU A 80 16.726 -3.111 -8.981 1.00 9.75 H new ATOM 0 HD22 LEU A 80 15.292 -3.684 -9.866 1.00 9.75 H new ATOM 0 HD23 LEU A 80 16.539 -2.736 -10.711 1.00 9.75 H new ATOM 1310 N LYS A 81 14.057 2.162 -11.417 1.00 7.90 N ATOM 1311 CA LYS A 81 14.753 3.421 -11.625 1.00 8.21 C ATOM 1312 C LYS A 81 14.457 4.353 -10.455 1.00 7.50 C ATOM 1313 O LYS A 81 15.075 5.405 -10.297 1.00 7.67 O ATOM 1314 CB LYS A 81 14.309 4.055 -12.945 1.00 9.15 C ATOM 1315 CG LYS A 81 15.076 5.310 -13.329 1.00 9.83 C ATOM 1316 CD LYS A 81 14.592 5.869 -14.656 1.00 10.54 C ATOM 1317 CE LYS A 81 15.368 7.113 -15.056 1.00 11.27 C ATOM 1318 NZ LYS A 81 16.821 6.841 -15.205 1.00 11.75 N ATOM 0 H LYS A 81 13.238 2.034 -12.012 1.00 7.90 H new ATOM 0 HA LYS A 81 15.827 3.243 -11.678 1.00 8.21 H new ATOM 0 HB2 LYS A 81 14.418 3.319 -13.742 1.00 9.15 H new ATOM 0 HB3 LYS A 81 13.249 4.298 -12.878 1.00 9.15 H new ATOM 0 HG2 LYS A 81 14.958 6.063 -12.550 1.00 9.83 H new ATOM 0 HG3 LYS A 81 16.140 5.083 -13.394 1.00 9.83 H new ATOM 0 HD2 LYS A 81 14.696 5.110 -15.431 1.00 10.54 H new ATOM 0 HD3 LYS A 81 13.531 6.109 -14.585 1.00 10.54 H new ATOM 0 HE2 LYS A 81 14.974 7.499 -15.996 1.00 11.27 H new ATOM 0 HE3 LYS A 81 15.220 7.889 -14.305 1.00 11.27 H new ATOM 0 HZ1 LYS A 81 17.274 7.636 -15.700 1.00 11.75 H new ATOM 0 HZ2 LYS A 81 17.251 6.728 -14.265 1.00 11.75 H new ATOM 0 HZ3 LYS A 81 16.956 5.968 -15.754 1.00 11.75 H new ATOM 1332 N HIS A 82 13.489 3.948 -9.640 1.00 6.91 N ATOM 1333 CA HIS A 82 13.111 4.694 -8.453 1.00 6.47 C ATOM 1334 C HIS A 82 13.725 4.053 -7.215 1.00 5.53 C ATOM 1335 O HIS A 82 13.209 3.056 -6.708 1.00 5.01 O ATOM 1336 CB HIS A 82 11.586 4.724 -8.301 1.00 6.67 C ATOM 1337 CG HIS A 82 10.868 5.306 -9.480 1.00 7.18 C ATOM 1338 ND1 HIS A 82 10.440 4.546 -10.551 1.00 7.40 N ATOM 1339 CD2 HIS A 82 10.508 6.580 -9.758 1.00 7.76 C ATOM 1340 CE1 HIS A 82 9.849 5.333 -11.432 1.00 8.08 C ATOM 1341 NE2 HIS A 82 9.876 6.570 -10.977 1.00 8.33 N ATOM 0 H HIS A 82 12.948 3.096 -9.786 1.00 6.91 H new ATOM 0 HA HIS A 82 13.481 5.714 -8.558 1.00 6.47 H new ATOM 0 HB2 HIS A 82 11.228 3.708 -8.135 1.00 6.67 H new ATOM 0 HB3 HIS A 82 11.331 5.301 -7.412 1.00 6.67 H new ATOM 0 HD2 HIS A 82 10.685 7.445 -9.136 1.00 7.76 H new ATOM 0 HE1 HIS A 82 9.416 5.016 -12.369 1.00 8.08 H new ATOM 0 HE2 HIS A 82 9.491 7.386 -11.453 1.00 8.33 H new ATOM 1350 N PRO A 83 14.848 4.590 -6.721 1.00 5.57 N ATOM 1351 CA PRO A 83 15.468 4.118 -5.497 1.00 4.95 C ATOM 1352 C PRO A 83 14.899 4.831 -4.278 1.00 4.13 C ATOM 1353 O PRO A 83 14.995 6.055 -4.159 1.00 4.33 O ATOM 1354 CB PRO A 83 16.952 4.477 -5.684 1.00 5.64 C ATOM 1355 CG PRO A 83 17.035 5.313 -6.929 1.00 6.46 C ATOM 1356 CD PRO A 83 15.626 5.678 -7.312 1.00 6.50 C ATOM 0 HA PRO A 83 15.298 3.055 -5.327 1.00 4.95 H new ATOM 0 HB2 PRO A 83 17.330 5.027 -4.822 1.00 5.64 H new ATOM 0 HB3 PRO A 83 17.560 3.577 -5.780 1.00 5.64 H new ATOM 0 HG2 PRO A 83 17.630 6.209 -6.752 1.00 6.46 H new ATOM 0 HG3 PRO A 83 17.522 4.760 -7.732 1.00 6.46 H new ATOM 0 HD2 PRO A 83 15.335 6.649 -6.912 1.00 6.50 H new ATOM 0 HD3 PRO A 83 15.499 5.727 -8.393 1.00 6.50 H new ATOM 1364 N LEU A 84 14.292 4.069 -3.381 1.00 3.60 N ATOM 1365 CA LEU A 84 13.748 4.630 -2.153 1.00 3.05 C ATOM 1366 C LEU A 84 14.834 4.706 -1.104 1.00 2.76 C ATOM 1367 O LEU A 84 15.520 5.719 -0.960 1.00 3.30 O ATOM 1368 CB LEU A 84 12.554 3.803 -1.633 1.00 3.01 C ATOM 1369 CG LEU A 84 11.238 3.952 -2.419 1.00 4.01 C ATOM 1370 CD1 LEU A 84 11.397 3.560 -3.881 1.00 4.57 C ATOM 1371 CD2 LEU A 84 10.149 3.116 -1.774 1.00 4.67 C ATOM 0 H LEU A 84 14.164 3.062 -3.480 1.00 3.60 H new ATOM 0 HA LEU A 84 13.382 5.634 -2.369 1.00 3.05 H new ATOM 0 HB2 LEU A 84 12.838 2.751 -1.634 1.00 3.01 H new ATOM 0 HB3 LEU A 84 12.368 4.082 -0.596 1.00 3.01 H new ATOM 0 HG LEU A 84 10.958 5.005 -2.390 1.00 4.01 H new ATOM 0 HD11 LEU A 84 10.444 3.681 -4.396 1.00 4.57 H new ATOM 0 HD12 LEU A 84 12.146 4.198 -4.349 1.00 4.57 H new ATOM 0 HD13 LEU A 84 11.715 2.519 -3.946 1.00 4.57 H new ATOM 0 HD21 LEU A 84 9.223 3.228 -2.337 1.00 4.67 H new ATOM 0 HD22 LEU A 84 10.448 2.068 -1.772 1.00 4.67 H new ATOM 0 HD23 LEU A 84 9.993 3.450 -0.748 1.00 4.67 H new ATOM 1383 N CYS A 85 14.961 3.627 -0.381 1.00 2.66 N ATOM 1384 CA CYS A 85 16.006 3.451 0.623 1.00 3.24 C ATOM 1385 C CYS A 85 15.813 4.347 1.840 1.00 3.77 C ATOM 1386 O CYS A 85 16.666 4.410 2.716 1.00 4.31 O ATOM 1387 CB CYS A 85 17.394 3.674 0.018 1.00 3.79 C ATOM 1388 SG CYS A 85 17.924 2.401 -1.183 1.00 4.64 S ATOM 0 H CYS A 85 14.337 2.825 -0.465 1.00 2.66 H new ATOM 0 HA CYS A 85 15.928 2.419 0.966 1.00 3.24 H new ATOM 0 HB2 CYS A 85 17.407 4.646 -0.475 1.00 3.79 H new ATOM 0 HB3 CYS A 85 18.124 3.717 0.826 1.00 3.79 H new ATOM 1393 N GLY A 86 14.734 5.089 1.849 1.00 4.00 N ATOM 1394 CA GLY A 86 14.328 5.791 3.046 1.00 4.75 C ATOM 1395 C GLY A 86 13.100 5.161 3.670 1.00 4.42 C ATOM 1396 O GLY A 86 13.134 4.708 4.813 1.00 5.13 O ATOM 0 H GLY A 86 14.121 5.224 1.045 1.00 4.00 H new ATOM 0 HA2 GLY A 86 15.146 5.787 3.766 1.00 4.75 H new ATOM 0 HA3 GLY A 86 14.121 6.834 2.805 1.00 4.75 H new ATOM 1400 N LYS A 87 12.023 5.106 2.887 1.00 3.51 N ATOM 1401 CA LYS A 87 10.790 4.432 3.283 1.00 3.25 C ATOM 1402 C LYS A 87 9.874 4.223 2.089 1.00 2.57 C ATOM 1403 O LYS A 87 10.280 4.419 0.948 1.00 2.57 O ATOM 1404 CB LYS A 87 10.041 5.190 4.375 1.00 3.54 C ATOM 1405 CG LYS A 87 9.905 6.705 4.151 1.00 4.49 C ATOM 1406 CD LYS A 87 9.025 7.041 2.952 1.00 5.19 C ATOM 1407 CE LYS A 87 9.039 8.527 2.614 1.00 6.18 C ATOM 1408 NZ LYS A 87 8.309 9.354 3.612 1.00 6.95 N ATOM 0 H LYS A 87 11.982 5.528 1.959 1.00 3.51 H new ATOM 0 HA LYS A 87 11.084 3.463 3.686 1.00 3.25 H new ATOM 0 HB2 LYS A 87 9.043 4.763 4.471 1.00 3.54 H new ATOM 0 HB3 LYS A 87 10.551 5.024 5.324 1.00 3.54 H new ATOM 0 HG2 LYS A 87 9.486 7.165 5.046 1.00 4.49 H new ATOM 0 HG3 LYS A 87 10.895 7.138 4.004 1.00 4.49 H new ATOM 0 HD2 LYS A 87 9.364 6.472 2.086 1.00 5.19 H new ATOM 0 HD3 LYS A 87 8.001 6.729 3.158 1.00 5.19 H new ATOM 0 HE2 LYS A 87 10.072 8.870 2.551 1.00 6.18 H new ATOM 0 HE3 LYS A 87 8.593 8.675 1.631 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 8.011 10.248 3.171 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 7.471 8.836 3.945 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 8.934 9.557 4.418 1.00 6.95 H new ATOM 1422 N ARG A 88 8.627 3.842 2.366 1.00 2.48 N ATOM 1423 CA ARG A 88 7.637 3.677 1.321 1.00 2.17 C ATOM 1424 C ARG A 88 6.507 4.694 1.471 1.00 1.70 C ATOM 1425 O ARG A 88 6.295 5.274 2.535 1.00 2.18 O ATOM 1426 CB ARG A 88 7.071 2.257 1.218 1.00 3.14 C ATOM 1427 CG ARG A 88 6.144 2.075 0.019 1.00 3.80 C ATOM 1428 CD ARG A 88 6.846 2.440 -1.292 1.00 4.78 C ATOM 1429 NE ARG A 88 5.951 2.356 -2.443 1.00 5.43 N ATOM 1430 CZ ARG A 88 6.151 2.964 -3.616 1.00 6.34 C ATOM 1431 NH1 ARG A 88 7.212 3.740 -3.802 1.00 6.69 N ATOM 1432 NH2 ARG A 88 5.290 2.786 -4.610 1.00 7.15 N ATOM 0 H ARG A 88 8.286 3.644 3.307 1.00 2.48 H new ATOM 0 HA ARG A 88 8.166 3.860 0.386 1.00 2.17 H new ATOM 0 HB2 ARG A 88 7.895 1.547 1.146 1.00 3.14 H new ATOM 0 HB3 ARG A 88 6.526 2.021 2.132 1.00 3.14 H new ATOM 0 HG2 ARG A 88 5.803 1.041 -0.025 1.00 3.80 H new ATOM 0 HG3 ARG A 88 5.258 2.698 0.145 1.00 3.80 H new ATOM 0 HD2 ARG A 88 7.245 3.452 -1.218 1.00 4.78 H new ATOM 0 HD3 ARG A 88 7.694 1.773 -1.445 1.00 4.78 H new ATOM 0 HE ARG A 88 5.108 1.790 -2.344 1.00 5.43 H new ATOM 0 HH11 ARG A 88 7.883 3.876 -3.046 1.00 6.69 H new ATOM 0 HH12 ARG A 88 7.356 4.200 -4.701 1.00 6.69 H new ATOM 0 HH21 ARG A 88 4.476 2.185 -4.478 1.00 7.15 H new ATOM 0 HH22 ARG A 88 5.442 3.250 -5.506 1.00 7.15 H new ATOM 1446 N TYR A 89 5.818 4.906 0.373 1.00 1.34 N ATOM 1447 CA TYR A 89 4.843 5.949 0.217 1.00 1.31 C ATOM 1448 C TYR A 89 3.453 5.379 0.457 1.00 1.05 C ATOM 1449 O TYR A 89 3.263 4.159 0.476 1.00 1.43 O ATOM 1450 CB TYR A 89 4.953 6.538 -1.186 1.00 2.13 C ATOM 1451 CG TYR A 89 6.313 7.130 -1.482 1.00 2.67 C ATOM 1452 CD1 TYR A 89 6.705 8.339 -0.923 1.00 3.40 C ATOM 1453 CD2 TYR A 89 7.199 6.483 -2.328 1.00 2.94 C ATOM 1454 CE1 TYR A 89 7.945 8.885 -1.197 1.00 4.21 C ATOM 1455 CE2 TYR A 89 8.439 7.019 -2.606 1.00 3.68 C ATOM 1456 CZ TYR A 89 8.815 8.218 -2.013 1.00 4.27 C ATOM 1457 OH TYR A 89 10.047 8.751 -2.318 1.00 5.18 O ATOM 0 H TYR A 89 5.929 4.333 -0.464 1.00 1.34 H new ATOM 0 HA TYR A 89 5.024 6.742 0.942 1.00 1.31 H new ATOM 0 HB2 TYR A 89 4.737 5.759 -1.917 1.00 2.13 H new ATOM 0 HB3 TYR A 89 4.194 7.310 -1.309 1.00 2.13 H new ATOM 0 HD1 TYR A 89 6.029 8.862 -0.263 1.00 3.40 H new ATOM 0 HD2 TYR A 89 6.914 5.543 -2.777 1.00 2.94 H new ATOM 0 HE1 TYR A 89 8.225 9.836 -0.768 1.00 4.21 H new ATOM 0 HE2 TYR A 89 9.113 6.511 -3.280 1.00 3.68 H new ATOM 0 HH TYR A 89 10.531 8.138 -2.910 1.00 5.18 H new ATOM 1467 N GLU A 90 2.512 6.264 0.693 1.00 0.79 N ATOM 1468 CA GLU A 90 1.177 5.888 1.110 1.00 0.71 C ATOM 1469 C GLU A 90 0.245 5.668 -0.064 1.00 0.53 C ATOM 1470 O GLU A 90 0.220 6.447 -1.017 1.00 0.63 O ATOM 1471 CB GLU A 90 0.629 6.985 2.015 1.00 1.07 C ATOM 1472 CG GLU A 90 -0.863 6.917 2.257 1.00 1.28 C ATOM 1473 CD GLU A 90 -1.365 8.165 2.950 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -2.260 8.831 2.400 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -0.840 8.504 4.034 1.00 2.07 O ATOM 0 H GLU A 90 2.650 7.270 0.601 1.00 0.79 H new ATOM 0 HA GLU A 90 1.237 4.939 1.643 1.00 0.71 H new ATOM 0 HB2 GLU A 90 1.142 6.935 2.975 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.869 7.953 1.576 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.382 6.792 1.307 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.096 6.042 2.865 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.502 4.584 0.013 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.608 4.365 -0.888 1.00 0.43 C ATOM 1484 C LEU A 91 -2.877 4.587 -0.099 1.00 0.43 C ATOM 1485 O LEU A 91 -3.197 3.825 0.817 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.613 2.954 -1.508 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.263 2.415 -2.025 1.00 0.93 C ATOM 1488 CD1 LEU A 91 0.429 3.436 -2.914 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.648 1.986 -0.880 1.00 1.02 C ATOM 0 H LEU A 91 -0.359 3.840 0.695 1.00 0.50 H new ATOM 0 HA LEU A 91 -1.522 5.058 -1.725 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -1.993 2.257 -0.762 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -2.320 2.950 -2.338 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.475 1.530 -2.625 1.00 0.93 H new ATOM 0 HD11 LEU A 91 1.378 3.030 -3.264 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -0.206 3.663 -3.770 1.00 1.82 H new ATOM 0 HD13 LEU A 91 0.612 4.348 -2.346 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.589 1.612 -1.284 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.845 2.840 -0.232 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.162 1.198 -0.304 1.00 1.02 H new ATOM 1501 N SER A 92 -3.588 5.636 -0.435 1.00 0.43 N ATOM 1502 CA SER A 92 -4.679 6.084 0.394 1.00 0.48 C ATOM 1503 C SER A 92 -6.000 5.641 -0.183 1.00 0.43 C ATOM 1504 O SER A 92 -6.375 5.992 -1.294 1.00 0.51 O ATOM 1505 CB SER A 92 -4.657 7.593 0.553 1.00 0.59 C ATOM 1506 OG SER A 92 -3.401 8.135 0.172 1.00 1.23 O ATOM 0 H SER A 92 -3.431 6.194 -1.274 1.00 0.43 H new ATOM 0 HA SER A 92 -4.558 5.634 1.379 1.00 0.48 H new ATOM 0 HB2 SER A 92 -5.446 8.036 -0.055 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.869 7.854 1.590 1.00 0.59 H new ATOM 0 HG SER A 92 -3.018 8.634 0.924 1.00 1.23 H new ATOM 1512 N ALA A 93 -6.707 4.883 0.598 1.00 0.52 N ATOM 1513 CA ALA A 93 -7.944 4.308 0.186 1.00 0.54 C ATOM 1514 C ALA A 93 -9.103 5.221 0.515 1.00 0.62 C ATOM 1515 O ALA A 93 -9.268 5.675 1.639 1.00 0.83 O ATOM 1516 CB ALA A 93 -8.111 2.947 0.828 1.00 0.66 C ATOM 0 H ALA A 93 -6.435 4.645 1.552 1.00 0.52 H new ATOM 0 HA ALA A 93 -7.934 4.182 -0.897 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -9.058 2.509 0.512 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -7.291 2.297 0.523 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -8.105 3.053 1.913 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.871 5.510 -0.493 1.00 0.91 N ATOM 1523 CA ARG A 94 -11.137 6.215 -0.343 1.00 1.26 C ATOM 1524 C ARG A 94 -12.108 5.517 -1.242 1.00 0.70 C ATOM 1525 O ARG A 94 -12.009 5.692 -2.437 1.00 1.17 O ATOM 1526 CB ARG A 94 -11.057 7.667 -0.777 1.00 2.35 C ATOM 1527 CG ARG A 94 -10.011 8.492 -0.046 1.00 3.37 C ATOM 1528 CD ARG A 94 -10.003 9.933 -0.530 1.00 4.38 C ATOM 1529 NE ARG A 94 -11.158 10.687 -0.042 1.00 5.11 N ATOM 1530 CZ ARG A 94 -12.075 11.259 -0.824 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -12.046 11.100 -2.140 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -13.036 11.989 -0.277 1.00 6.80 N ATOM 0 H ARG A 94 -9.646 5.266 -1.458 1.00 0.91 H new ATOM 0 HA ARG A 94 -11.427 6.208 0.708 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -10.845 7.701 -1.846 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -12.033 8.130 -0.630 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -10.210 8.468 1.025 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -9.026 8.050 -0.197 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -9.086 10.421 -0.198 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -9.996 9.948 -1.620 1.00 4.38 H new ATOM 0 HE ARG A 94 -11.270 10.782 0.967 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -11.315 10.533 -2.569 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -12.755 11.545 -2.723 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -13.071 12.110 0.735 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -13.741 12.430 -0.868 1.00 6.80 H new ATOM 1546 N MET A 95 -12.952 4.678 -0.637 1.00 0.84 N ATOM 1547 CA MET A 95 -13.887 3.746 -1.319 1.00 1.41 C ATOM 1548 C MET A 95 -13.909 3.807 -2.862 1.00 1.48 C ATOM 1549 O MET A 95 -13.781 2.778 -3.520 1.00 2.12 O ATOM 1550 CB MET A 95 -15.334 3.753 -0.812 1.00 2.09 C ATOM 1551 CG MET A 95 -15.506 2.971 0.489 1.00 2.32 C ATOM 1552 SD MET A 95 -17.230 2.592 0.864 1.00 3.26 S ATOM 1553 CE MET A 95 -18.013 4.186 0.623 1.00 3.27 C ATOM 0 H MET A 95 -13.014 4.618 0.379 1.00 0.84 H new ATOM 0 HA MET A 95 -13.425 2.803 -1.025 1.00 1.41 H new ATOM 0 HB2 MET A 95 -15.656 4.783 -0.657 1.00 2.09 H new ATOM 0 HB3 MET A 95 -15.985 3.327 -1.576 1.00 2.09 H new ATOM 0 HG2 MET A 95 -14.941 2.041 0.424 1.00 2.32 H new ATOM 0 HG3 MET A 95 -15.080 3.546 1.311 1.00 2.32 H new ATOM 0 HE1 MET A 95 -19.068 4.117 0.889 1.00 3.27 H new ATOM 0 HE2 MET A 95 -17.527 4.929 1.255 1.00 3.27 H new ATOM 0 HE3 MET A 95 -17.921 4.482 -0.422 1.00 3.27 H new ATOM 1563 N ASP A 96 -14.111 4.998 -3.426 1.00 1.26 N ATOM 1564 CA ASP A 96 -14.085 5.193 -4.881 1.00 1.45 C ATOM 1565 C ASP A 96 -12.783 4.661 -5.504 1.00 1.30 C ATOM 1566 O ASP A 96 -12.817 3.763 -6.347 1.00 1.97 O ATOM 1567 CB ASP A 96 -14.251 6.677 -5.216 1.00 1.76 C ATOM 1568 CG ASP A 96 -14.299 6.939 -6.709 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -15.281 6.525 -7.364 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -13.346 7.547 -7.243 1.00 2.86 O ATOM 0 H ASP A 96 -14.296 5.849 -2.895 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.915 4.627 -5.304 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -15.167 7.049 -4.757 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -13.425 7.238 -4.779 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.635 5.200 -5.080 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.343 4.755 -5.606 1.00 0.62 C ATOM 1577 C ALA A 97 -9.291 4.623 -4.516 1.00 0.60 C ATOM 1578 O ALA A 97 -9.508 4.943 -3.346 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.801 5.699 -6.683 1.00 0.55 C ATOM 0 H ALA A 97 -11.575 5.939 -4.380 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.535 3.776 -6.044 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.841 5.328 -7.043 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.506 5.747 -7.513 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -9.669 6.695 -6.261 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.148 4.136 -4.947 1.00 0.39 N ATOM 1586 CA ILE A 98 -6.951 4.076 -4.149 1.00 0.34 C ATOM 1587 C ILE A 98 -5.983 5.129 -4.667 1.00 0.32 C ATOM 1588 O ILE A 98 -5.642 5.157 -5.853 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.318 2.675 -4.216 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.162 1.691 -3.402 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -4.860 2.705 -3.720 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -6.860 1.705 -1.938 1.00 0.50 C ATOM 0 H ILE A 98 -8.026 3.762 -5.888 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.192 4.273 -3.104 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.299 2.343 -5.254 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.217 1.924 -3.548 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.002 0.684 -3.787 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -4.435 1.703 -3.777 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.277 3.382 -4.344 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -4.834 3.051 -2.687 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -7.497 0.982 -1.428 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -5.814 1.442 -1.780 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.048 2.701 -1.537 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.582 6.006 -3.785 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.798 7.166 -4.151 1.00 0.53 C ATOM 1606 C TYR A 99 -3.320 6.877 -3.979 1.00 0.63 C ATOM 1607 O TYR A 99 -2.928 6.122 -3.094 1.00 0.86 O ATOM 1608 CB TYR A 99 -5.206 8.368 -3.292 1.00 0.79 C ATOM 1609 CG TYR A 99 -6.630 8.840 -3.520 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -7.699 7.954 -3.467 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -6.903 10.175 -3.783 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -8.992 8.379 -3.672 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -8.198 10.610 -3.990 1.00 2.26 C ATOM 1614 CZ TYR A 99 -9.237 9.706 -3.932 1.00 2.77 C ATOM 1615 OH TYR A 99 -10.526 10.128 -4.139 1.00 3.67 O ATOM 0 H TYR A 99 -5.788 5.940 -2.788 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.987 7.401 -5.198 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -5.086 8.107 -2.241 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -4.524 9.194 -3.495 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.512 6.911 -3.261 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -6.090 10.885 -3.827 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -9.809 7.674 -3.629 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -8.395 11.652 -4.196 1.00 2.26 H new ATOM 0 HH TYR A 99 -10.531 11.093 -4.309 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.512 7.463 -4.838 1.00 0.72 N ATOM 1626 CA PHE A 100 -1.074 7.292 -4.759 1.00 0.91 C ATOM 1627 C PHE A 100 -0.450 8.548 -4.166 1.00 1.25 C ATOM 1628 O PHE A 100 -0.481 9.617 -4.783 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.498 7.020 -6.148 1.00 1.20 C ATOM 1630 CG PHE A 100 0.868 6.399 -6.132 1.00 1.73 C ATOM 1631 CD1 PHE A 100 2.009 7.185 -6.121 1.00 2.22 C ATOM 1632 CD2 PHE A 100 1.009 5.021 -6.134 1.00 2.19 C ATOM 1633 CE1 PHE A 100 3.264 6.607 -6.111 1.00 2.83 C ATOM 1634 CE2 PHE A 100 2.262 4.439 -6.124 1.00 2.91 C ATOM 1635 CZ PHE A 100 3.389 5.233 -6.113 1.00 3.12 C ATOM 0 H PHE A 100 -2.826 8.063 -5.601 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.846 6.440 -4.119 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -1.178 6.363 -6.690 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.453 7.958 -6.701 1.00 1.20 H new ATOM 0 HD1 PHE A 100 1.916 8.261 -6.120 1.00 2.22 H new ATOM 0 HD2 PHE A 100 0.129 4.394 -6.143 1.00 2.19 H new ATOM 0 HE1 PHE A 100 4.146 7.230 -6.102 1.00 2.83 H new ATOM 0 HE2 PHE A 100 2.358 3.363 -6.125 1.00 2.91 H new ATOM 0 HZ PHE A 100 4.369 4.780 -6.106 1.00 3.12 H new ATOM 1645 N LYS A 101 0.091 8.423 -2.969 1.00 1.07 N ATOM 1646 CA LYS A 101 0.668 9.555 -2.267 1.00 1.43 C ATOM 1647 C LYS A 101 2.170 9.383 -2.088 1.00 1.37 C ATOM 1648 O LYS A 101 2.650 8.307 -1.745 1.00 1.55 O ATOM 1649 CB LYS A 101 -0.012 9.719 -0.907 1.00 2.06 C ATOM 1650 CG LYS A 101 0.698 10.663 0.048 1.00 2.92 C ATOM 1651 CD LYS A 101 -0.039 10.735 1.371 1.00 3.76 C ATOM 1652 CE LYS A 101 0.850 11.234 2.493 1.00 4.58 C ATOM 1653 NZ LYS A 101 0.193 11.073 3.816 1.00 5.15 N ATOM 0 H LYS A 101 0.143 7.541 -2.459 1.00 1.07 H new ATOM 0 HA LYS A 101 0.503 10.452 -2.864 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -1.028 10.081 -1.065 1.00 2.06 H new ATOM 0 HB3 LYS A 101 -0.092 8.739 -0.436 1.00 2.06 H new ATOM 0 HG2 LYS A 101 1.720 10.322 0.213 1.00 2.92 H new ATOM 0 HG3 LYS A 101 0.761 11.657 -0.394 1.00 2.92 H new ATOM 0 HD2 LYS A 101 -0.900 11.396 1.270 1.00 3.76 H new ATOM 0 HD3 LYS A 101 -0.423 9.747 1.626 1.00 3.76 H new ATOM 0 HE2 LYS A 101 1.792 10.686 2.484 1.00 4.58 H new ATOM 0 HE3 LYS A 101 1.090 12.285 2.329 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 0.839 11.392 4.566 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 -0.677 11.643 3.843 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 -0.044 10.072 3.966 1.00 5.15 H new ATOM 1667 N MET A 102 2.898 10.458 -2.330 1.00 1.76 N ATOM 1668 CA MET A 102 4.338 10.489 -2.140 1.00 2.21 C ATOM 1669 C MET A 102 4.688 11.726 -1.337 1.00 2.42 C ATOM 1670 O MET A 102 3.835 12.592 -1.165 1.00 2.62 O ATOM 1671 CB MET A 102 5.071 10.508 -3.484 1.00 2.82 C ATOM 1672 CG MET A 102 4.858 9.256 -4.319 1.00 3.61 C ATOM 1673 SD MET A 102 5.661 9.347 -5.932 1.00 4.57 S ATOM 1674 CE MET A 102 7.379 9.529 -5.459 1.00 5.14 C ATOM 0 H MET A 102 2.506 11.338 -2.665 1.00 1.76 H new ATOM 0 HA MET A 102 4.651 9.591 -1.607 1.00 2.21 H new ATOM 0 HB2 MET A 102 4.739 11.375 -4.055 1.00 2.82 H new ATOM 0 HB3 MET A 102 6.138 10.635 -3.303 1.00 2.82 H new ATOM 0 HG2 MET A 102 5.242 8.393 -3.775 1.00 3.61 H new ATOM 0 HG3 MET A 102 3.789 9.095 -4.459 1.00 3.61 H new ATOM 0 HE1 MET A 102 8.009 8.977 -6.156 1.00 5.14 H new ATOM 0 HE2 MET A 102 7.652 10.584 -5.480 1.00 5.14 H new ATOM 0 HE3 MET A 102 7.523 9.137 -4.452 1.00 5.14 H new ATOM 1684 N ASP A 103 5.905 11.805 -0.808 1.00 2.92 N ATOM 1685 CA ASP A 103 6.323 13.002 -0.079 1.00 3.46 C ATOM 1686 C ASP A 103 6.062 14.239 -0.911 1.00 3.62 C ATOM 1687 O ASP A 103 6.316 14.241 -2.120 1.00 3.77 O ATOM 1688 CB ASP A 103 7.801 12.993 0.265 1.00 4.39 C ATOM 1689 CG ASP A 103 8.223 11.843 1.158 1.00 5.03 C ATOM 1690 OD1 ASP A 103 8.939 10.934 0.681 1.00 5.64 O ATOM 1691 OD2 ASP A 103 7.808 11.820 2.334 1.00 5.25 O ATOM 0 H ASP A 103 6.610 11.070 -0.867 1.00 2.92 H new ATOM 0 HA ASP A 103 5.744 13.010 0.844 1.00 3.46 H new ATOM 0 HB2 ASP A 103 8.378 12.952 -0.659 1.00 4.39 H new ATOM 0 HB3 ASP A 103 8.054 13.932 0.757 1.00 4.39 H new ATOM 1696 N GLU A 104 5.565 15.279 -0.251 1.00 4.02 N ATOM 1697 CA GLU A 104 5.186 16.533 -0.901 1.00 4.43 C ATOM 1698 C GLU A 104 3.960 16.364 -1.814 1.00 4.28 C ATOM 1699 O GLU A 104 3.102 17.246 -1.882 1.00 4.73 O ATOM 1700 CB GLU A 104 6.368 17.087 -1.683 1.00 4.95 C ATOM 1701 CG GLU A 104 6.101 18.422 -2.341 1.00 5.34 C ATOM 1702 CD GLU A 104 5.894 19.536 -1.339 1.00 6.03 C ATOM 1703 OE1 GLU A 104 6.890 20.015 -0.764 1.00 6.26 O ATOM 1704 OE2 GLU A 104 4.731 19.934 -1.122 1.00 6.61 O ATOM 0 H GLU A 104 5.412 15.278 0.757 1.00 4.02 H new ATOM 0 HA GLU A 104 4.905 17.242 -0.122 1.00 4.43 H new ATOM 0 HB2 GLU A 104 7.219 17.189 -1.010 1.00 4.95 H new ATOM 0 HB3 GLU A 104 6.653 16.366 -2.450 1.00 4.95 H new ATOM 0 HG2 GLU A 104 6.938 18.675 -2.992 1.00 5.34 H new ATOM 0 HG3 GLU A 104 5.218 18.340 -2.974 1.00 5.34 H new ATOM 1711 N ARG A 105 3.875 15.227 -2.491 1.00 3.93 N ATOM 1712 CA ARG A 105 2.811 14.973 -3.460 1.00 3.96 C ATOM 1713 C ARG A 105 1.511 14.550 -2.775 1.00 3.41 C ATOM 1714 O ARG A 105 1.466 13.527 -2.091 1.00 3.35 O ATOM 1715 CB ARG A 105 3.231 13.880 -4.445 1.00 4.49 C ATOM 1716 CG ARG A 105 4.476 14.207 -5.250 1.00 4.98 C ATOM 1717 CD ARG A 105 4.738 13.146 -6.310 1.00 5.81 C ATOM 1718 NE ARG A 105 5.969 13.403 -7.052 1.00 6.29 N ATOM 1719 CZ ARG A 105 6.469 12.585 -7.978 1.00 7.10 C ATOM 1720 NH1 ARG A 105 5.840 11.458 -8.284 1.00 7.50 N ATOM 1721 NH2 ARG A 105 7.602 12.897 -8.592 1.00 7.74 N ATOM 0 H ARG A 105 4.536 14.457 -2.387 1.00 3.93 H new ATOM 0 HA ARG A 105 2.637 15.907 -3.994 1.00 3.96 H new ATOM 0 HB2 ARG A 105 3.402 12.956 -3.893 1.00 4.49 H new ATOM 0 HB3 ARG A 105 2.407 13.692 -5.133 1.00 4.49 H new ATOM 0 HG2 ARG A 105 4.359 15.180 -5.726 1.00 4.98 H new ATOM 0 HG3 ARG A 105 5.335 14.279 -4.583 1.00 4.98 H new ATOM 0 HD2 ARG A 105 4.799 12.167 -5.835 1.00 5.81 H new ATOM 0 HD3 ARG A 105 3.898 13.112 -7.003 1.00 5.81 H new ATOM 0 HE ARG A 105 6.479 14.263 -6.849 1.00 6.29 H new ATOM 0 HH11 ARG A 105 4.970 11.215 -7.810 1.00 7.50 H new ATOM 0 HH12 ARG A 105 6.226 10.835 -8.993 1.00 7.50 H new ATOM 0 HH21 ARG A 105 8.089 13.761 -8.355 1.00 7.74 H new ATOM 0 HH22 ARG A 105 7.987 12.273 -9.301 1.00 7.74 H new ATOM 1735 N PRO A 106 0.432 15.328 -2.956 1.00 3.33 N ATOM 1736 CA PRO A 106 -0.893 14.973 -2.443 1.00 3.10 C ATOM 1737 C PRO A 106 -1.471 13.753 -3.165 1.00 2.43 C ATOM 1738 O PRO A 106 -1.361 13.639 -4.390 1.00 2.29 O ATOM 1739 CB PRO A 106 -1.750 16.215 -2.736 1.00 3.53 C ATOM 1740 CG PRO A 106 -0.783 17.298 -3.069 1.00 4.00 C ATOM 1741 CD PRO A 106 0.415 16.616 -3.659 1.00 3.83 C ATOM 0 HA PRO A 106 -0.861 14.708 -1.386 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -2.435 16.032 -3.564 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -2.358 16.484 -1.873 1.00 3.53 H new ATOM 0 HG2 PRO A 106 -1.217 18.005 -3.776 1.00 4.00 H new ATOM 0 HG3 PRO A 106 -0.510 17.865 -2.179 1.00 4.00 H new ATOM 0 HD2 PRO A 106 0.318 16.488 -4.737 1.00 3.83 H new ATOM 0 HD3 PRO A 106 1.330 17.183 -3.487 1.00 3.83 H new ATOM 1749 N PRO A 107 -2.095 12.832 -2.408 1.00 2.31 N ATOM 1750 CA PRO A 107 -2.659 11.590 -2.952 1.00 1.85 C ATOM 1751 C PRO A 107 -3.641 11.838 -4.093 1.00 1.51 C ATOM 1752 O PRO A 107 -4.618 12.569 -3.937 1.00 1.80 O ATOM 1753 CB PRO A 107 -3.392 10.955 -1.759 1.00 2.23 C ATOM 1754 CG PRO A 107 -3.458 12.013 -0.709 1.00 2.91 C ATOM 1755 CD PRO A 107 -2.299 12.933 -0.957 1.00 2.93 C ATOM 0 HA PRO A 107 -1.878 10.958 -3.375 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -4.391 10.626 -2.045 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -2.859 10.077 -1.395 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -4.402 12.555 -0.764 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -3.399 11.575 0.287 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -2.524 13.955 -0.652 1.00 2.93 H new ATOM 0 HD3 PRO A 107 -1.413 12.623 -0.403 1.00 2.93 H new ATOM 1763 N GLN A 108 -3.374 11.230 -5.240 1.00 1.09 N ATOM 1764 CA GLN A 108 -4.263 11.348 -6.387 1.00 0.94 C ATOM 1765 C GLN A 108 -4.857 9.993 -6.752 1.00 0.70 C ATOM 1766 O GLN A 108 -4.196 8.962 -6.613 1.00 0.64 O ATOM 1767 CB GLN A 108 -3.527 11.933 -7.594 1.00 1.18 C ATOM 1768 CG GLN A 108 -2.293 11.152 -8.007 1.00 1.72 C ATOM 1769 CD GLN A 108 -1.607 11.753 -9.218 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -0.723 12.597 -9.089 1.00 2.57 O ATOM 1771 NE2 GLN A 108 -2.015 11.330 -10.403 1.00 2.71 N ATOM 0 H GLN A 108 -2.550 10.651 -5.401 1.00 1.09 H new ATOM 0 HA GLN A 108 -5.071 12.025 -6.110 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -4.215 11.978 -8.438 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -3.235 12.958 -7.366 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -1.591 11.120 -7.174 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -2.575 10.122 -8.226 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -2.752 10.628 -10.468 1.00 2.71 H new ATOM 0 HE22 GLN A 108 -1.593 11.706 -11.252 1.00 2.71 H new ATOM 1780 N PRO A 109 -6.127 9.983 -7.201 1.00 0.68 N ATOM 1781 CA PRO A 109 -6.811 8.764 -7.649 1.00 0.55 C ATOM 1782 C PRO A 109 -6.083 8.092 -8.807 1.00 0.56 C ATOM 1783 O PRO A 109 -6.135 8.572 -9.940 1.00 0.80 O ATOM 1784 CB PRO A 109 -8.175 9.270 -8.124 1.00 0.65 C ATOM 1785 CG PRO A 109 -8.371 10.565 -7.424 1.00 0.82 C ATOM 1786 CD PRO A 109 -7.003 11.167 -7.302 1.00 0.91 C ATOM 0 HA PRO A 109 -6.865 8.018 -6.856 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -8.193 9.400 -9.206 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -8.967 8.563 -7.875 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -9.038 11.218 -7.987 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -8.823 10.416 -6.443 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -6.754 11.781 -8.167 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -6.920 11.806 -6.423 1.00 0.91 H new ATOM 1794 N LEU A 110 -5.401 6.994 -8.521 1.00 0.49 N ATOM 1795 CA LEU A 110 -4.621 6.303 -9.537 1.00 0.61 C ATOM 1796 C LEU A 110 -4.959 4.834 -9.620 1.00 0.51 C ATOM 1797 O LEU A 110 -4.698 4.176 -10.623 1.00 0.62 O ATOM 1798 CB LEU A 110 -3.140 6.449 -9.247 1.00 0.83 C ATOM 1799 CG LEU A 110 -2.456 7.663 -9.888 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -0.969 7.667 -9.579 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -2.677 7.678 -11.394 1.00 1.61 C ATOM 0 H LEU A 110 -5.371 6.563 -7.597 1.00 0.49 H new ATOM 0 HA LEU A 110 -4.870 6.764 -10.493 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -3.003 6.506 -8.167 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.631 5.547 -9.586 1.00 0.83 H new ATOM 0 HG LEU A 110 -2.904 8.562 -9.463 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -0.503 8.536 -10.043 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -0.822 7.709 -8.500 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -0.513 6.758 -9.972 1.00 1.89 H new ATOM 0 HD21 LEU A 110 -2.182 8.548 -11.826 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -2.262 6.770 -11.832 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -3.745 7.726 -11.604 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.544 4.333 -8.568 1.00 0.42 N ATOM 1814 CA ASN A 111 -5.904 2.933 -8.480 1.00 0.48 C ATOM 1815 C ASN A 111 -7.275 2.904 -7.903 1.00 0.42 C ATOM 1816 O ASN A 111 -7.773 3.952 -7.538 1.00 0.50 O ATOM 1817 CB ASN A 111 -4.927 2.153 -7.589 1.00 0.60 C ATOM 1818 CG ASN A 111 -3.592 1.892 -8.261 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -2.527 1.929 -7.482 1.00 1.86 O flip ATOM 1820 ND2 ASN A 111 -3.518 1.671 -9.471 1.00 1.75 N flip ATOM 0 H ASN A 111 -5.788 4.880 -7.742 1.00 0.42 H new ATOM 0 HA ASN A 111 -5.865 2.459 -9.461 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.761 2.710 -6.667 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.379 1.201 -7.309 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -4.365 1.651 -10.038 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -2.609 1.508 -9.905 1.00 1.75 H new ATOM 1827 N LYS A 112 -7.917 1.770 -7.842 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.190 1.718 -7.212 1.00 0.60 C ATOM 1829 C LYS A 112 -9.532 0.353 -6.699 1.00 0.72 C ATOM 1830 O LYS A 112 -9.534 -0.636 -7.432 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.266 2.192 -8.153 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.331 1.484 -9.509 1.00 1.33 C ATOM 1833 CD LYS A 112 -9.338 2.061 -10.512 1.00 1.68 C ATOM 1834 CE LYS A 112 -9.442 1.381 -11.868 1.00 2.31 C ATOM 1835 NZ LYS A 112 -9.117 -0.069 -11.793 1.00 2.93 N ATOM 0 H LYS A 112 -7.578 0.884 -8.218 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.134 2.383 -6.350 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.230 2.076 -7.658 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.124 3.258 -8.329 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -10.129 0.422 -9.372 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -11.340 1.567 -9.912 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -9.518 3.130 -10.627 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -8.325 1.948 -10.126 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -10.452 1.506 -12.259 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -8.765 1.868 -12.570 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -9.034 -0.456 -12.755 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -8.216 -0.197 -11.289 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -9.873 -0.568 -11.283 1.00 2.93 H new ATOM 1849 N TRP A 113 -9.837 0.323 -5.431 1.00 0.77 N ATOM 1850 CA TRP A 113 -10.317 -0.867 -4.802 1.00 0.97 C ATOM 1851 C TRP A 113 -11.768 -1.078 -5.183 1.00 1.02 C ATOM 1852 O TRP A 113 -12.643 -0.306 -4.809 1.00 1.12 O ATOM 1853 CB TRP A 113 -10.123 -0.834 -3.284 1.00 1.07 C ATOM 1854 CG TRP A 113 -10.549 0.422 -2.577 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -10.959 1.607 -3.119 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -10.593 0.600 -1.162 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -11.252 2.501 -2.124 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -11.045 1.902 -0.915 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -10.298 -0.225 -0.080 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -11.211 2.400 0.372 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -10.461 0.270 1.200 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -10.915 1.570 1.413 1.00 2.20 C ATOM 0 H TRP A 113 -9.758 1.126 -4.807 1.00 0.77 H new ATOM 0 HA TRP A 113 -9.730 -1.714 -5.157 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -10.672 -1.671 -2.852 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -9.067 -1.003 -3.072 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -11.040 1.809 -4.177 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -11.573 3.459 -2.264 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -9.948 -1.234 -0.238 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -11.562 3.407 0.542 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -10.233 -0.360 2.047 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -11.035 1.928 2.425 1.00 2.20 H new ATOM 1873 N ARG A 114 -11.955 -2.105 -5.994 1.00 1.34 N ATOM 1874 CA ARG A 114 -13.240 -2.511 -6.578 1.00 1.50 C ATOM 1875 C ARG A 114 -13.743 -1.495 -7.581 1.00 1.82 C ATOM 1876 O ARG A 114 -13.103 -0.476 -7.855 1.00 2.41 O ATOM 1877 CB ARG A 114 -14.323 -2.843 -5.536 1.00 1.80 C ATOM 1878 CG ARG A 114 -15.045 -1.639 -4.937 1.00 2.76 C ATOM 1879 CD ARG A 114 -16.058 -2.034 -3.875 1.00 3.56 C ATOM 1880 NE ARG A 114 -16.721 -0.861 -3.311 1.00 4.38 N ATOM 1881 CZ ARG A 114 -17.554 -0.888 -2.271 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -17.846 -2.037 -1.674 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -18.093 0.242 -1.829 1.00 6.29 N ATOM 0 H ARG A 114 -11.187 -2.711 -6.282 1.00 1.34 H new ATOM 0 HA ARG A 114 -13.035 -3.444 -7.103 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -15.063 -3.495 -6.001 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -13.863 -3.409 -4.726 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -14.312 -0.961 -4.500 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -15.552 -1.092 -5.732 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -16.802 -2.701 -4.310 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -15.558 -2.589 -3.081 1.00 3.56 H new ATOM 0 HE ARG A 114 -16.533 0.043 -3.744 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -17.432 -2.906 -2.011 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -18.484 -2.051 -0.879 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -17.869 1.126 -2.285 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -18.731 0.226 -1.033 1.00 6.29 H new ATOM 1897 N SER A 115 -14.881 -1.810 -8.149 1.00 2.02 N ATOM 1898 CA SER A 115 -15.403 -1.075 -9.279 1.00 2.76 C ATOM 1899 C SER A 115 -16.924 -1.150 -9.288 1.00 3.19 C ATOM 1900 O SER A 115 -17.494 -1.833 -10.163 1.00 3.60 O ATOM 1901 CB SER A 115 -14.813 -1.658 -10.563 1.00 3.33 C ATOM 1902 OG SER A 115 -13.392 -1.664 -10.513 1.00 4.01 O ATOM 1903 OXT SER A 115 -17.547 -0.565 -8.377 1.00 3.62 O ATOM 0 H SER A 115 -15.473 -2.582 -7.843 1.00 2.02 H new ATOM 0 HA SER A 115 -15.121 -0.024 -9.207 1.00 2.76 H new ATOM 0 HB2 SER A 115 -15.180 -2.674 -10.707 1.00 3.33 H new ATOM 0 HB3 SER A 115 -15.148 -1.073 -11.420 1.00 3.33 H new ATOM 0 HG SER A 115 -13.037 -2.043 -11.344 1.00 4.01 H new TER 1909 SER A 115