USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 949 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 71 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 SER OG : rot 130:sc= 0 USER MOD Set 2.2: A 96 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.062) USER MOD Single : A 5 MET CE :methyl 135:sc= -0.918 (180deg=-1.05) USER MOD Single : A 7 MET CE :methyl 180:sc= -0.843 (180deg=-0.843) USER MOD Single : A 10 TYR OH : rot 164:sc= 0.0295 USER MOD Single : A 15 SER OG : rot -140:sc= -0.544 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0393) USER MOD Single : A 21 ASN : amide:sc= 0.623 K(o=0.62,f=-7.5!) USER MOD Single : A 22 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.87!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0652 USER MOD Single : A 24 THR OG1 : rot -71:sc= 1.2 USER MOD Single : A 25 ASN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 73:sc= 0.346 USER MOD Single : A 41 ASN : amide:sc= -0.0449 X(o=-0.045,f=-0.12) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.556 K(o=-0.56,f=0) USER MOD Single : A 49 SER OG : rot 141:sc= 1.28 USER MOD Single : A 51 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.83) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0478 USER MOD Single : A 60 ASN : amide:sc= 0.278 K(o=0.28,f=-3!) USER MOD Single : A 63 SER OG : rot -170:sc= 0 USER MOD Single : A 69 SER OG : rot 21:sc= 0.344 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc=0.000943 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc=-0.00118 X(o=-0.0012,f=-0.0043) USER MOD Single : A 87 SER OG : rot 69:sc= 1.16 USER MOD Single : A 89 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.42) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0423 USER MOD Single : A 93 LYS NZ :NH3+ -105:sc= 0.574 (180deg=-0.793!) USER MOD Single : A 98 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-4.7!) USER MOD Single : A 99 CYS SG : rot 75:sc= -1.62 USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 107 LYS NZ :NH3+ 167:sc= -0.0369 (180deg=-0.222) USER MOD Single : A 108 SER OG : rot -33:sc= 0.123 USER MOD Single : A 116 CYS SG : rot -140:sc= -1.42 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 4 5.827 10.240 -7.686 1.00 0.61 N ATOM 2 CA ALA A 4 4.865 9.336 -7.083 1.00 0.53 C ATOM 3 C ALA A 4 4.642 8.151 -8.006 1.00 0.44 C ATOM 4 O ALA A 4 3.939 8.252 -9.012 1.00 0.54 O ATOM 5 CB ALA A 4 3.552 10.057 -6.799 1.00 0.64 C ATOM 0 HA ALA A 4 5.257 8.977 -6.131 1.00 0.53 H new ATOM 0 HB1 ALA A 4 2.845 9.361 -6.347 1.00 0.64 H new ATOM 0 HB2 ALA A 4 3.733 10.886 -6.115 1.00 0.64 H new ATOM 0 HB3 ALA A 4 3.138 10.440 -7.732 1.00 0.64 H new ATOM 11 N MET A 5 5.260 7.038 -7.663 1.00 0.39 N ATOM 12 CA MET A 5 5.247 5.855 -8.506 1.00 0.37 C ATOM 13 C MET A 5 4.190 4.876 -8.030 1.00 0.30 C ATOM 14 O MET A 5 4.177 4.522 -6.862 1.00 0.29 O ATOM 15 CB MET A 5 6.605 5.175 -8.435 1.00 0.43 C ATOM 16 CG MET A 5 6.898 4.274 -9.627 1.00 1.01 C ATOM 17 SD MET A 5 8.571 3.601 -9.611 1.00 1.80 S ATOM 18 CE MET A 5 8.539 2.659 -8.091 1.00 1.60 C ATOM 0 H MET A 5 5.784 6.926 -6.795 1.00 0.39 H new ATOM 0 HA MET A 5 5.023 6.157 -9.529 1.00 0.37 H new ATOM 0 HB2 MET A 5 7.381 5.938 -8.367 1.00 0.43 H new ATOM 0 HB3 MET A 5 6.659 4.583 -7.521 1.00 0.43 H new ATOM 0 HG2 MET A 5 6.182 3.452 -9.638 1.00 1.01 H new ATOM 0 HG3 MET A 5 6.749 4.839 -10.547 1.00 1.01 H new ATOM 0 HE1 MET A 5 8.990 1.681 -8.259 1.00 1.60 H new ATOM 0 HE2 MET A 5 9.100 3.190 -7.322 1.00 1.60 H new ATOM 0 HE3 MET A 5 7.507 2.531 -7.764 1.00 1.60 H new ATOM 28 N PRO A 6 3.297 4.416 -8.915 1.00 0.30 N ATOM 29 CA PRO A 6 2.306 3.397 -8.571 1.00 0.28 C ATOM 30 C PRO A 6 2.966 2.229 -7.847 1.00 0.27 C ATOM 31 O PRO A 6 3.890 1.609 -8.371 1.00 0.30 O ATOM 32 CB PRO A 6 1.740 2.952 -9.930 1.00 0.32 C ATOM 33 CG PRO A 6 2.602 3.607 -10.963 1.00 0.47 C ATOM 34 CD PRO A 6 3.178 4.832 -10.313 1.00 0.36 C ATOM 0 HA PRO A 6 1.532 3.771 -7.900 1.00 0.28 H new ATOM 0 HB2 PRO A 6 1.767 1.867 -10.029 1.00 0.32 H new ATOM 0 HB3 PRO A 6 0.699 3.256 -10.039 1.00 0.32 H new ATOM 0 HG2 PRO A 6 3.393 2.934 -11.294 1.00 0.47 H new ATOM 0 HG3 PRO A 6 2.019 3.872 -11.845 1.00 0.47 H new ATOM 0 HD2 PRO A 6 4.143 5.103 -10.740 1.00 0.36 H new ATOM 0 HD3 PRO A 6 2.525 5.697 -10.426 1.00 0.36 H new ATOM 42 N MET A 7 2.508 1.957 -6.630 1.00 0.24 N ATOM 43 CA MET A 7 3.155 0.970 -5.771 1.00 0.24 C ATOM 44 C MET A 7 3.182 -0.412 -6.405 1.00 0.28 C ATOM 45 O MET A 7 4.076 -1.199 -6.124 1.00 0.32 O ATOM 46 CB MET A 7 2.477 0.916 -4.405 1.00 0.22 C ATOM 47 CG MET A 7 3.176 1.764 -3.356 1.00 0.31 C ATOM 48 SD MET A 7 4.777 1.087 -2.872 1.00 0.62 S ATOM 49 CE MET A 7 4.287 -0.440 -2.066 1.00 0.63 C ATOM 0 H MET A 7 1.691 2.406 -6.215 1.00 0.24 H new ATOM 0 HA MET A 7 4.189 1.289 -5.640 1.00 0.24 H new ATOM 0 HB2 MET A 7 1.445 1.252 -4.505 1.00 0.22 H new ATOM 0 HB3 MET A 7 2.444 -0.119 -4.064 1.00 0.22 H new ATOM 0 HG2 MET A 7 3.314 2.773 -3.743 1.00 0.31 H new ATOM 0 HG3 MET A 7 2.539 1.845 -2.476 1.00 0.31 H new ATOM 0 HE1 MET A 7 5.174 -0.967 -1.714 1.00 0.63 H new ATOM 0 HE2 MET A 7 3.640 -0.213 -1.219 1.00 0.63 H new ATOM 0 HE3 MET A 7 3.749 -1.069 -2.775 1.00 0.63 H new ATOM 59 N ILE A 8 2.215 -0.701 -7.267 1.00 0.29 N ATOM 60 CA ILE A 8 2.212 -1.957 -8.011 1.00 0.33 C ATOM 61 C ILE A 8 3.459 -2.059 -8.890 1.00 0.36 C ATOM 62 O ILE A 8 4.082 -3.117 -8.976 1.00 0.39 O ATOM 63 CB ILE A 8 0.941 -2.100 -8.877 1.00 0.37 C ATOM 64 CG1 ILE A 8 -0.296 -2.189 -7.979 1.00 0.42 C ATOM 65 CG2 ILE A 8 1.033 -3.318 -9.789 1.00 0.47 C ATOM 66 CD1 ILE A 8 -0.292 -3.386 -7.049 1.00 0.51 C ATOM 0 H ILE A 8 1.426 -0.087 -7.468 1.00 0.29 H new ATOM 0 HA ILE A 8 2.218 -2.770 -7.285 1.00 0.33 H new ATOM 0 HB ILE A 8 0.854 -1.217 -9.511 1.00 0.37 H new ATOM 0 HG12 ILE A 8 -0.368 -1.279 -7.384 1.00 0.42 H new ATOM 0 HG13 ILE A 8 -1.187 -2.231 -8.606 1.00 0.42 H new ATOM 0 HG21 ILE A 8 0.125 -3.394 -10.387 1.00 0.47 H new ATOM 0 HG22 ILE A 8 1.894 -3.214 -10.449 1.00 0.47 H new ATOM 0 HG23 ILE A 8 1.146 -4.218 -9.184 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -1.199 -3.381 -6.445 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -0.253 -4.303 -7.637 1.00 0.51 H new ATOM 0 HD13 ILE A 8 0.579 -3.336 -6.395 1.00 0.51 H new ATOM 78 N GLU A 9 3.827 -0.945 -9.512 1.00 0.38 N ATOM 79 CA GLU A 9 5.039 -0.865 -10.319 1.00 0.42 C ATOM 80 C GLU A 9 6.261 -1.165 -9.450 1.00 0.39 C ATOM 81 O GLU A 9 7.146 -1.929 -9.837 1.00 0.39 O ATOM 82 CB GLU A 9 5.153 0.538 -10.930 1.00 0.50 C ATOM 83 CG GLU A 9 6.325 0.727 -11.878 1.00 0.66 C ATOM 84 CD GLU A 9 6.176 -0.069 -13.158 1.00 0.86 C ATOM 85 OE1 GLU A 9 5.101 0.000 -13.783 1.00 0.83 O ATOM 86 OE2 GLU A 9 7.140 -0.751 -13.555 1.00 1.72 O ATOM 0 H GLU A 9 3.296 -0.075 -9.472 1.00 0.38 H new ATOM 0 HA GLU A 9 4.992 -1.601 -11.122 1.00 0.42 H new ATOM 0 HB2 GLU A 9 4.231 0.762 -11.466 1.00 0.50 H new ATOM 0 HB3 GLU A 9 5.236 1.265 -10.122 1.00 0.50 H new ATOM 0 HG2 GLU A 9 6.423 1.785 -12.122 1.00 0.66 H new ATOM 0 HG3 GLU A 9 7.245 0.430 -11.375 1.00 0.66 H new ATOM 93 N TYR A 10 6.282 -0.569 -8.261 1.00 0.41 N ATOM 94 CA TYR A 10 7.360 -0.784 -7.301 1.00 0.42 C ATOM 95 C TYR A 10 7.440 -2.256 -6.911 1.00 0.43 C ATOM 96 O TYR A 10 8.513 -2.863 -6.929 1.00 0.45 O ATOM 97 CB TYR A 10 7.127 0.081 -6.053 1.00 0.43 C ATOM 98 CG TYR A 10 8.209 -0.038 -4.998 1.00 0.44 C ATOM 99 CD1 TYR A 10 9.337 0.769 -5.039 1.00 0.47 C ATOM 100 CD2 TYR A 10 8.094 -0.953 -3.957 1.00 0.43 C ATOM 101 CE1 TYR A 10 10.322 0.670 -4.076 1.00 0.50 C ATOM 102 CE2 TYR A 10 9.073 -1.060 -2.990 1.00 0.45 C ATOM 103 CZ TYR A 10 10.186 -0.246 -3.053 1.00 0.47 C ATOM 104 OH TYR A 10 11.167 -0.352 -2.091 1.00 0.51 O ATOM 0 H TYR A 10 5.558 0.072 -7.938 1.00 0.41 H new ATOM 0 HA TYR A 10 8.304 -0.497 -7.763 1.00 0.42 H new ATOM 0 HB2 TYR A 10 7.048 1.124 -6.359 1.00 0.43 H new ATOM 0 HB3 TYR A 10 6.171 -0.195 -5.608 1.00 0.43 H new ATOM 0 HD1 TYR A 10 9.447 1.487 -5.838 1.00 0.47 H new ATOM 0 HD2 TYR A 10 7.224 -1.591 -3.904 1.00 0.43 H new ATOM 0 HE1 TYR A 10 11.194 1.306 -4.123 1.00 0.50 H new ATOM 0 HE2 TYR A 10 8.969 -1.776 -2.189 1.00 0.45 H new ATOM 0 HH TYR A 10 10.817 -0.844 -1.319 1.00 0.51 H new ATOM 114 N LEU A 11 6.288 -2.827 -6.579 1.00 0.43 N ATOM 115 CA LEU A 11 6.200 -4.222 -6.175 1.00 0.46 C ATOM 116 C LEU A 11 6.672 -5.135 -7.295 1.00 0.44 C ATOM 117 O LEU A 11 7.466 -6.048 -7.073 1.00 0.48 O ATOM 118 CB LEU A 11 4.762 -4.572 -5.788 1.00 0.50 C ATOM 119 CG LEU A 11 4.165 -3.715 -4.668 1.00 0.58 C ATOM 120 CD1 LEU A 11 2.710 -4.081 -4.430 1.00 0.66 C ATOM 121 CD2 LEU A 11 4.974 -3.870 -3.391 1.00 0.77 C ATOM 0 H LEU A 11 5.393 -2.337 -6.583 1.00 0.43 H new ATOM 0 HA LEU A 11 6.847 -4.369 -5.310 1.00 0.46 H new ATOM 0 HB2 LEU A 11 4.131 -4.478 -6.672 1.00 0.50 H new ATOM 0 HB3 LEU A 11 4.729 -5.618 -5.482 1.00 0.50 H new ATOM 0 HG LEU A 11 4.206 -2.670 -4.976 1.00 0.58 H new ATOM 0 HD11 LEU A 11 2.305 -3.461 -3.631 1.00 0.66 H new ATOM 0 HD12 LEU A 11 2.139 -3.915 -5.343 1.00 0.66 H new ATOM 0 HD13 LEU A 11 2.641 -5.131 -4.145 1.00 0.66 H new ATOM 0 HD21 LEU A 11 4.536 -3.254 -2.606 1.00 0.77 H new ATOM 0 HD22 LEU A 11 4.966 -4.915 -3.080 1.00 0.77 H new ATOM 0 HD23 LEU A 11 6.001 -3.553 -3.570 1.00 0.77 H new ATOM 133 N GLU A 12 6.194 -4.861 -8.494 1.00 0.40 N ATOM 134 CA GLU A 12 6.513 -5.663 -9.663 1.00 0.40 C ATOM 135 C GLU A 12 8.022 -5.708 -9.911 1.00 0.44 C ATOM 136 O GLU A 12 8.607 -6.777 -10.082 1.00 0.49 O ATOM 137 CB GLU A 12 5.791 -5.080 -10.881 1.00 0.40 C ATOM 138 CG GLU A 12 5.938 -5.914 -12.136 1.00 0.43 C ATOM 139 CD GLU A 12 5.122 -5.382 -13.295 1.00 0.47 C ATOM 140 OE1 GLU A 12 5.639 -4.534 -14.050 1.00 0.59 O ATOM 141 OE2 GLU A 12 3.964 -5.819 -13.465 1.00 0.51 O ATOM 0 H GLU A 12 5.573 -4.075 -8.687 1.00 0.40 H new ATOM 0 HA GLU A 12 6.179 -6.686 -9.490 1.00 0.40 H new ATOM 0 HB2 GLU A 12 4.731 -4.975 -10.648 1.00 0.40 H new ATOM 0 HB3 GLU A 12 6.175 -4.079 -11.074 1.00 0.40 H new ATOM 0 HG2 GLU A 12 6.989 -5.947 -12.423 1.00 0.43 H new ATOM 0 HG3 GLU A 12 5.633 -6.939 -11.923 1.00 0.43 H new ATOM 148 N ARG A 13 8.652 -4.544 -9.901 1.00 0.45 N ATOM 149 CA ARG A 13 10.065 -4.438 -10.237 1.00 0.52 C ATOM 150 C ARG A 13 10.957 -4.867 -9.073 1.00 0.58 C ATOM 151 O ARG A 13 11.935 -5.588 -9.266 1.00 0.62 O ATOM 152 CB ARG A 13 10.395 -3.001 -10.639 1.00 0.56 C ATOM 153 CG ARG A 13 9.475 -2.463 -11.717 1.00 0.54 C ATOM 154 CD ARG A 13 9.619 -0.962 -11.886 1.00 0.67 C ATOM 155 NE ARG A 13 10.796 -0.593 -12.662 1.00 1.25 N ATOM 156 CZ ARG A 13 10.735 0.012 -13.847 1.00 1.51 C ATOM 157 NH1 ARG A 13 9.558 0.206 -14.435 1.00 1.38 N ATOM 158 NH2 ARG A 13 11.845 0.411 -14.451 1.00 2.48 N ATOM 0 H ARG A 13 8.207 -3.657 -9.664 1.00 0.45 H new ATOM 0 HA ARG A 13 10.260 -5.110 -11.073 1.00 0.52 H new ATOM 0 HB2 ARG A 13 10.330 -2.359 -9.760 1.00 0.56 H new ATOM 0 HB3 ARG A 13 11.425 -2.955 -10.992 1.00 0.56 H new ATOM 0 HG2 ARG A 13 9.696 -2.958 -12.663 1.00 0.54 H new ATOM 0 HG3 ARG A 13 8.442 -2.703 -11.465 1.00 0.54 H new ATOM 0 HD2 ARG A 13 8.728 -0.569 -12.376 1.00 0.67 H new ATOM 0 HD3 ARG A 13 9.675 -0.494 -10.903 1.00 0.67 H new ATOM 0 HE ARG A 13 11.715 -0.810 -12.277 1.00 1.25 H new ATOM 0 HH11 ARG A 13 8.702 -0.109 -13.978 1.00 1.38 H new ATOM 0 HH12 ARG A 13 9.511 0.669 -15.342 1.00 1.38 H new ATOM 0 HH21 ARG A 13 12.751 0.255 -14.008 1.00 2.48 H new ATOM 0 HH22 ARG A 13 11.794 0.874 -15.358 1.00 2.48 H new ATOM 172 N PHE A 14 10.609 -4.450 -7.865 1.00 0.60 N ATOM 173 CA PHE A 14 11.513 -4.594 -6.730 1.00 0.69 C ATOM 174 C PHE A 14 11.107 -5.718 -5.777 1.00 0.71 C ATOM 175 O PHE A 14 11.962 -6.462 -5.303 1.00 0.83 O ATOM 176 CB PHE A 14 11.604 -3.276 -5.955 1.00 0.72 C ATOM 177 CG PHE A 14 12.150 -2.129 -6.764 1.00 0.73 C ATOM 178 CD1 PHE A 14 13.518 -1.948 -6.903 1.00 0.87 C ATOM 179 CD2 PHE A 14 11.295 -1.235 -7.390 1.00 0.64 C ATOM 180 CE1 PHE A 14 14.021 -0.898 -7.648 1.00 0.91 C ATOM 181 CE2 PHE A 14 11.792 -0.183 -8.136 1.00 0.67 C ATOM 182 CZ PHE A 14 13.162 -0.009 -8.254 1.00 0.81 C ATOM 0 H PHE A 14 9.715 -4.012 -7.644 1.00 0.60 H new ATOM 0 HA PHE A 14 12.486 -4.858 -7.144 1.00 0.69 H new ATOM 0 HB2 PHE A 14 10.612 -3.011 -5.591 1.00 0.72 H new ATOM 0 HB3 PHE A 14 12.236 -3.424 -5.079 1.00 0.72 H new ATOM 0 HD1 PHE A 14 14.199 -2.636 -6.423 1.00 0.87 H new ATOM 0 HD2 PHE A 14 10.227 -1.362 -7.293 1.00 0.64 H new ATOM 0 HE1 PHE A 14 15.089 -0.775 -7.755 1.00 0.91 H new ATOM 0 HE2 PHE A 14 11.115 0.501 -8.625 1.00 0.67 H new ATOM 0 HZ PHE A 14 13.555 0.822 -8.820 1.00 0.81 H new ATOM 192 N SER A 15 9.819 -5.855 -5.497 1.00 0.63 N ATOM 193 CA SER A 15 9.383 -6.739 -4.422 1.00 0.67 C ATOM 194 C SER A 15 9.172 -8.177 -4.899 1.00 0.69 C ATOM 195 O SER A 15 9.557 -9.124 -4.211 1.00 0.78 O ATOM 196 CB SER A 15 8.094 -6.197 -3.810 1.00 0.65 C ATOM 197 OG SER A 15 8.221 -4.816 -3.505 1.00 1.36 O ATOM 0 H SER A 15 9.066 -5.374 -5.990 1.00 0.63 H new ATOM 0 HA SER A 15 10.174 -6.763 -3.672 1.00 0.67 H new ATOM 0 HB2 SER A 15 7.266 -6.346 -4.504 1.00 0.65 H new ATOM 0 HB3 SER A 15 7.855 -6.753 -2.904 1.00 0.65 H new ATOM 0 HG SER A 15 7.784 -4.629 -2.648 1.00 1.36 H new ATOM 203 N LEU A 16 8.578 -8.345 -6.074 1.00 0.63 N ATOM 204 CA LEU A 16 8.357 -9.682 -6.611 1.00 0.68 C ATOM 205 C LEU A 16 9.515 -10.115 -7.486 1.00 0.79 C ATOM 206 O LEU A 16 9.788 -11.309 -7.623 1.00 0.89 O ATOM 207 CB LEU A 16 7.064 -9.771 -7.430 1.00 0.62 C ATOM 208 CG LEU A 16 5.762 -9.669 -6.638 1.00 0.60 C ATOM 209 CD1 LEU A 16 5.262 -8.238 -6.623 1.00 1.24 C ATOM 210 CD2 LEU A 16 4.709 -10.593 -7.229 1.00 1.20 C ATOM 0 H LEU A 16 8.245 -7.584 -6.666 1.00 0.63 H new ATOM 0 HA LEU A 16 8.273 -10.346 -5.750 1.00 0.68 H new ATOM 0 HB2 LEU A 16 7.075 -8.977 -8.177 1.00 0.62 H new ATOM 0 HB3 LEU A 16 7.064 -10.717 -7.971 1.00 0.62 H new ATOM 0 HG LEU A 16 5.957 -9.977 -5.611 1.00 0.60 H new ATOM 0 HD11 LEU A 16 4.334 -8.183 -6.055 1.00 1.24 H new ATOM 0 HD12 LEU A 16 6.010 -7.596 -6.159 1.00 1.24 H new ATOM 0 HD13 LEU A 16 5.082 -7.905 -7.645 1.00 1.24 H new ATOM 0 HD21 LEU A 16 3.787 -10.509 -6.654 1.00 1.20 H new ATOM 0 HD22 LEU A 16 4.518 -10.311 -8.264 1.00 1.20 H new ATOM 0 HD23 LEU A 16 5.067 -11.622 -7.193 1.00 1.20 H new ATOM 222 N LYS A 17 10.185 -9.122 -8.076 1.00 0.83 N ATOM 223 CA LYS A 17 11.198 -9.362 -9.101 1.00 0.97 C ATOM 224 C LYS A 17 10.545 -10.059 -10.292 1.00 1.01 C ATOM 225 O LYS A 17 11.196 -10.774 -11.050 1.00 1.15 O ATOM 226 CB LYS A 17 12.352 -10.210 -8.548 1.00 1.10 C ATOM 227 CG LYS A 17 13.071 -9.580 -7.364 1.00 1.13 C ATOM 228 CD LYS A 17 13.922 -8.388 -7.780 1.00 1.17 C ATOM 229 CE LYS A 17 14.574 -7.730 -6.575 1.00 1.61 C ATOM 230 NZ LYS A 17 15.555 -6.684 -6.970 1.00 2.03 N ATOM 0 H LYS A 17 10.041 -8.136 -7.857 1.00 0.83 H new ATOM 0 HA LYS A 17 11.616 -8.407 -9.420 1.00 0.97 H new ATOM 0 HB2 LYS A 17 11.963 -11.183 -8.248 1.00 1.10 H new ATOM 0 HB3 LYS A 17 13.073 -10.387 -9.346 1.00 1.10 H new ATOM 0 HG2 LYS A 17 12.338 -9.261 -6.623 1.00 1.13 H new ATOM 0 HG3 LYS A 17 13.704 -10.327 -6.885 1.00 1.13 H new ATOM 0 HD2 LYS A 17 14.691 -8.714 -8.480 1.00 1.17 H new ATOM 0 HD3 LYS A 17 13.302 -7.660 -8.304 1.00 1.17 H new ATOM 0 HE2 LYS A 17 13.804 -7.285 -5.945 1.00 1.61 H new ATOM 0 HE3 LYS A 17 15.076 -8.489 -5.976 1.00 1.61 H new ATOM 0 HZ1 LYS A 17 15.975 -6.262 -6.117 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 16.305 -7.112 -7.550 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 15.072 -5.945 -7.520 1.00 2.03 H new ATOM 244 N ALA A 18 9.245 -9.821 -10.445 1.00 0.95 N ATOM 245 CA ALA A 18 8.428 -10.492 -11.443 1.00 1.03 C ATOM 246 C ALA A 18 7.192 -9.652 -11.747 1.00 1.02 C ATOM 247 O ALA A 18 6.809 -8.795 -10.950 1.00 1.34 O ATOM 248 CB ALA A 18 8.023 -11.876 -10.948 1.00 1.06 C ATOM 0 H ALA A 18 8.729 -9.152 -9.874 1.00 0.95 H new ATOM 0 HA ALA A 18 9.008 -10.610 -12.358 1.00 1.03 H new ATOM 0 HB1 ALA A 18 7.412 -12.368 -11.704 1.00 1.06 H new ATOM 0 HB2 ALA A 18 8.917 -12.471 -10.760 1.00 1.06 H new ATOM 0 HB3 ALA A 18 7.451 -11.779 -10.025 1.00 1.06 H new ATOM 254 N LYS A 19 6.573 -9.917 -12.888 1.00 0.80 N ATOM 255 CA LYS A 19 5.462 -9.106 -13.380 1.00 0.77 C ATOM 256 C LYS A 19 4.188 -9.341 -12.565 1.00 0.64 C ATOM 257 O LYS A 19 3.896 -10.464 -12.153 1.00 0.74 O ATOM 258 CB LYS A 19 5.216 -9.392 -14.867 1.00 0.93 C ATOM 259 CG LYS A 19 4.669 -10.783 -15.159 1.00 1.52 C ATOM 260 CD LYS A 19 4.580 -11.045 -16.655 1.00 1.71 C ATOM 261 CE LYS A 19 3.817 -9.949 -17.383 1.00 1.93 C ATOM 262 NZ LYS A 19 2.448 -9.756 -16.838 1.00 2.69 N ATOM 0 H LYS A 19 6.823 -10.695 -13.498 1.00 0.80 H new ATOM 0 HA LYS A 19 5.734 -8.057 -13.263 1.00 0.77 H new ATOM 0 HB2 LYS A 19 4.517 -8.651 -15.256 1.00 0.93 H new ATOM 0 HB3 LYS A 19 6.153 -9.262 -15.409 1.00 0.93 H new ATOM 0 HG2 LYS A 19 5.311 -11.532 -14.695 1.00 1.52 H new ATOM 0 HG3 LYS A 19 3.681 -10.888 -14.711 1.00 1.52 H new ATOM 0 HD2 LYS A 19 5.585 -11.123 -17.069 1.00 1.71 H new ATOM 0 HD3 LYS A 19 4.089 -12.003 -16.826 1.00 1.71 H new ATOM 0 HE2 LYS A 19 4.371 -9.013 -17.308 1.00 1.93 H new ATOM 0 HE3 LYS A 19 3.752 -10.197 -18.442 1.00 1.93 H new ATOM 0 HZ1 LYS A 19 1.932 -9.073 -17.429 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 1.943 -10.665 -16.839 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 2.510 -9.395 -15.865 1.00 2.69 H new ATOM 276 N ILE A 20 3.437 -8.270 -12.341 1.00 0.57 N ATOM 277 CA ILE A 20 2.211 -8.330 -11.556 1.00 0.52 C ATOM 278 C ILE A 20 0.997 -8.594 -12.433 1.00 0.54 C ATOM 279 O ILE A 20 0.862 -8.027 -13.522 1.00 0.64 O ATOM 280 CB ILE A 20 1.997 -7.014 -10.763 1.00 0.56 C ATOM 281 CG1 ILE A 20 2.718 -7.086 -9.427 1.00 0.46 C ATOM 282 CG2 ILE A 20 0.521 -6.708 -10.549 1.00 0.92 C ATOM 283 CD1 ILE A 20 2.135 -8.107 -8.473 1.00 0.72 C ATOM 0 H ILE A 20 3.659 -7.340 -12.696 1.00 0.57 H new ATOM 0 HA ILE A 20 2.321 -9.159 -10.857 1.00 0.52 H new ATOM 0 HB ILE A 20 2.415 -6.202 -11.358 1.00 0.56 H new ATOM 0 HG12 ILE A 20 3.767 -7.324 -9.603 1.00 0.46 H new ATOM 0 HG13 ILE A 20 2.689 -6.104 -8.956 1.00 0.46 H new ATOM 0 HG21 ILE A 20 0.420 -5.778 -9.990 1.00 0.92 H new ATOM 0 HG22 ILE A 20 0.027 -6.606 -11.515 1.00 0.92 H new ATOM 0 HG23 ILE A 20 0.058 -7.521 -9.989 1.00 0.92 H new ATOM 0 HD11 ILE A 20 2.702 -8.100 -7.542 1.00 0.72 H new ATOM 0 HD12 ILE A 20 1.094 -7.859 -8.266 1.00 0.72 H new ATOM 0 HD13 ILE A 20 2.189 -9.098 -8.923 1.00 0.72 H new ATOM 295 N ASN A 21 0.129 -9.473 -11.956 1.00 0.58 N ATOM 296 CA ASN A 21 -1.178 -9.646 -12.554 1.00 0.72 C ATOM 297 C ASN A 21 -2.108 -10.329 -11.551 1.00 0.78 C ATOM 298 O ASN A 21 -1.666 -10.719 -10.472 1.00 0.77 O ATOM 299 CB ASN A 21 -1.090 -10.462 -13.855 1.00 0.80 C ATOM 300 CG ASN A 21 -2.247 -10.201 -14.814 1.00 1.21 C ATOM 301 OD1 ASN A 21 -3.337 -9.796 -14.409 1.00 1.78 O ATOM 302 ND2 ASN A 21 -2.022 -10.444 -16.095 1.00 1.71 N ATOM 0 H ASN A 21 0.310 -10.077 -11.154 1.00 0.58 H new ATOM 0 HA ASN A 21 -1.580 -8.666 -12.809 1.00 0.72 H new ATOM 0 HB2 ASN A 21 -0.151 -10.229 -14.358 1.00 0.80 H new ATOM 0 HB3 ASN A 21 -1.065 -11.523 -13.608 1.00 0.80 H new ATOM 0 HD21 ASN A 21 -2.763 -10.296 -16.780 1.00 1.71 H new ATOM 0 HD22 ASN A 21 -1.107 -10.779 -16.398 1.00 1.71 H new ATOM 309 N ASN A 22 -3.378 -10.482 -11.894 1.00 0.97 N ATOM 310 CA ASN A 22 -4.334 -11.145 -11.008 1.00 1.09 C ATOM 311 C ASN A 22 -4.004 -12.635 -10.914 1.00 1.03 C ATOM 312 O ASN A 22 -4.112 -13.249 -9.855 1.00 1.07 O ATOM 313 CB ASN A 22 -5.766 -10.930 -11.528 1.00 1.41 C ATOM 314 CG ASN A 22 -6.849 -11.339 -10.535 1.00 1.73 C ATOM 315 OD1 ASN A 22 -6.680 -12.259 -9.739 1.00 2.31 O ATOM 316 ND2 ASN A 22 -7.980 -10.650 -10.581 1.00 2.35 N ATOM 0 H ASN A 22 -3.774 -10.158 -12.777 1.00 0.97 H new ATOM 0 HA ASN A 22 -4.265 -10.713 -10.009 1.00 1.09 H new ATOM 0 HB2 ASN A 22 -5.897 -9.878 -11.781 1.00 1.41 H new ATOM 0 HB3 ASN A 22 -5.897 -11.498 -12.449 1.00 1.41 H new ATOM 0 HD21 ASN A 22 -8.742 -10.878 -9.943 1.00 2.35 H new ATOM 0 HD22 ASN A 22 -8.088 -9.892 -11.254 1.00 2.35 H new ATOM 323 N THR A 23 -3.523 -13.192 -12.015 1.00 1.00 N ATOM 324 CA THR A 23 -3.249 -14.618 -12.104 1.00 1.05 C ATOM 325 C THR A 23 -1.868 -14.972 -11.556 1.00 1.02 C ATOM 326 O THR A 23 -1.283 -15.995 -11.916 1.00 1.21 O ATOM 327 CB THR A 23 -3.378 -15.098 -13.557 1.00 1.19 C ATOM 328 OG1 THR A 23 -2.845 -14.107 -14.449 1.00 1.51 O ATOM 329 CG2 THR A 23 -4.834 -15.370 -13.900 1.00 1.79 C ATOM 0 H THR A 23 -3.313 -12.672 -12.867 1.00 1.00 H new ATOM 0 HA THR A 23 -3.989 -15.128 -11.488 1.00 1.05 H new ATOM 0 HB THR A 23 -2.813 -16.024 -13.669 1.00 1.19 H new ATOM 0 HG1 THR A 23 -2.929 -14.420 -15.374 1.00 1.51 H new ATOM 0 HG21 THR A 23 -4.907 -15.709 -14.933 1.00 1.79 H new ATOM 0 HG22 THR A 23 -5.226 -16.141 -13.236 1.00 1.79 H new ATOM 0 HG23 THR A 23 -5.414 -14.455 -13.777 1.00 1.79 H new ATOM 337 N THR A 24 -1.346 -14.120 -10.688 1.00 0.87 N ATOM 338 CA THR A 24 -0.070 -14.375 -10.044 1.00 0.91 C ATOM 339 C THR A 24 -0.295 -14.720 -8.576 1.00 0.98 C ATOM 340 O THR A 24 -1.430 -14.676 -8.091 1.00 1.91 O ATOM 341 CB THR A 24 0.874 -13.160 -10.154 1.00 0.88 C ATOM 342 OG1 THR A 24 0.323 -12.028 -9.467 1.00 1.37 O ATOM 343 CG2 THR A 24 1.133 -12.799 -11.611 1.00 1.74 C ATOM 0 H THR A 24 -1.789 -13.243 -10.413 1.00 0.87 H new ATOM 0 HA THR A 24 0.402 -15.215 -10.554 1.00 0.91 H new ATOM 0 HB THR A 24 1.821 -13.433 -9.688 1.00 0.88 H new ATOM 0 HG1 THR A 24 -0.448 -11.686 -9.966 1.00 1.37 H new ATOM 0 HG21 THR A 24 1.801 -11.939 -11.660 1.00 1.74 H new ATOM 0 HG22 THR A 24 1.594 -13.646 -12.119 1.00 1.74 H new ATOM 0 HG23 THR A 24 0.189 -12.553 -12.098 1.00 1.74 H new ATOM 351 N ASN A 25 0.774 -15.061 -7.868 1.00 0.72 N ATOM 352 CA ASN A 25 0.680 -15.387 -6.447 1.00 0.79 C ATOM 353 C ASN A 25 0.619 -14.106 -5.623 1.00 0.73 C ATOM 354 O ASN A 25 1.434 -13.887 -4.723 1.00 0.72 O ATOM 355 CB ASN A 25 1.876 -16.233 -6.002 1.00 1.00 C ATOM 356 CG ASN A 25 2.035 -17.501 -6.819 1.00 1.96 C ATOM 357 OD1 ASN A 25 2.752 -17.521 -7.821 1.00 2.69 O ATOM 358 ND2 ASN A 25 1.366 -18.564 -6.401 1.00 2.58 N ATOM 0 H ASN A 25 1.717 -15.120 -8.252 1.00 0.72 H new ATOM 0 HA ASN A 25 -0.230 -15.965 -6.287 1.00 0.79 H new ATOM 0 HB2 ASN A 25 2.786 -15.638 -6.082 1.00 1.00 H new ATOM 0 HB3 ASN A 25 1.758 -16.496 -4.951 1.00 1.00 H new ATOM 0 HD21 ASN A 25 1.433 -19.443 -6.914 1.00 2.58 H new ATOM 0 HD22 ASN A 25 0.783 -18.504 -5.566 1.00 2.58 H new ATOM 365 N LEU A 26 -0.361 -13.264 -5.931 1.00 0.82 N ATOM 366 CA LEU A 26 -0.461 -11.948 -5.321 1.00 0.88 C ATOM 367 C LEU A 26 -0.740 -12.024 -3.821 1.00 0.83 C ATOM 368 O LEU A 26 -0.304 -11.156 -3.066 1.00 0.86 O ATOM 369 CB LEU A 26 -1.509 -11.087 -6.044 1.00 1.08 C ATOM 370 CG LEU A 26 -2.839 -11.770 -6.402 1.00 1.91 C ATOM 371 CD1 LEU A 26 -3.731 -11.942 -5.181 1.00 2.89 C ATOM 372 CD2 LEU A 26 -3.559 -10.971 -7.476 1.00 2.33 C ATOM 0 H LEU A 26 -1.099 -13.473 -6.603 1.00 0.82 H new ATOM 0 HA LEU A 26 0.510 -11.466 -5.433 1.00 0.88 H new ATOM 0 HB2 LEU A 26 -1.729 -10.222 -5.418 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -1.063 -10.709 -6.964 1.00 1.08 H new ATOM 0 HG LEU A 26 -2.613 -12.766 -6.784 1.00 1.91 H new ATOM 0 HD11 LEU A 26 -4.661 -12.428 -5.475 1.00 2.89 H new ATOM 0 HD12 LEU A 26 -3.219 -12.556 -4.440 1.00 2.89 H new ATOM 0 HD13 LEU A 26 -3.953 -10.965 -4.752 1.00 2.89 H new ATOM 0 HD21 LEU A 26 -4.500 -11.461 -7.724 1.00 2.33 H new ATOM 0 HD22 LEU A 26 -3.760 -9.965 -7.108 1.00 2.33 H new ATOM 0 HD23 LEU A 26 -2.934 -10.913 -8.367 1.00 2.33 H new ATOM 384 N ASP A 27 -1.441 -13.066 -3.395 1.00 0.81 N ATOM 385 CA ASP A 27 -1.784 -13.228 -1.986 1.00 0.84 C ATOM 386 C ASP A 27 -0.563 -13.669 -1.191 1.00 0.70 C ATOM 387 O ASP A 27 -0.404 -13.319 -0.024 1.00 0.67 O ATOM 388 CB ASP A 27 -2.922 -14.240 -1.816 1.00 1.02 C ATOM 389 CG ASP A 27 -2.504 -15.655 -2.155 1.00 1.52 C ATOM 390 OD1 ASP A 27 -2.430 -15.984 -3.357 1.00 2.00 O ATOM 391 OD2 ASP A 27 -2.247 -16.440 -1.218 1.00 2.28 O ATOM 0 H ASP A 27 -1.783 -13.811 -4.002 1.00 0.81 H new ATOM 0 HA ASP A 27 -2.122 -12.265 -1.604 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -3.280 -14.208 -0.787 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -3.758 -13.950 -2.453 1.00 1.02 H new ATOM 396 N TYR A 28 0.312 -14.431 -1.830 1.00 0.69 N ATOM 397 CA TYR A 28 1.524 -14.894 -1.177 1.00 0.70 C ATOM 398 C TYR A 28 2.515 -13.748 -1.013 1.00 0.63 C ATOM 399 O TYR A 28 3.236 -13.675 -0.017 1.00 0.68 O ATOM 400 CB TYR A 28 2.161 -16.040 -1.963 1.00 0.81 C ATOM 401 CG TYR A 28 1.309 -17.289 -2.005 1.00 1.05 C ATOM 402 CD1 TYR A 28 1.264 -18.159 -0.923 1.00 1.16 C ATOM 403 CD2 TYR A 28 0.551 -17.598 -3.126 1.00 1.57 C ATOM 404 CE1 TYR A 28 0.489 -19.304 -0.958 1.00 1.61 C ATOM 405 CE2 TYR A 28 -0.226 -18.739 -3.170 1.00 2.15 C ATOM 406 CZ TYR A 28 -0.255 -19.589 -2.082 1.00 2.13 C ATOM 407 OH TYR A 28 -1.028 -20.728 -2.122 1.00 2.73 O ATOM 0 H TYR A 28 0.205 -14.740 -2.796 1.00 0.69 H new ATOM 0 HA TYR A 28 1.255 -15.265 -0.188 1.00 0.70 H new ATOM 0 HB2 TYR A 28 2.355 -15.707 -2.983 1.00 0.81 H new ATOM 0 HB3 TYR A 28 3.126 -16.283 -1.518 1.00 0.81 H new ATOM 0 HD1 TYR A 28 1.844 -17.938 -0.039 1.00 1.16 H new ATOM 0 HD2 TYR A 28 0.569 -16.935 -3.978 1.00 1.57 H new ATOM 0 HE1 TYR A 28 0.467 -19.971 -0.109 1.00 1.61 H new ATOM 0 HE2 TYR A 28 -0.808 -18.965 -4.051 1.00 2.15 H new ATOM 0 HH TYR A 28 -1.490 -20.780 -2.985 1.00 2.73 H new ATOM 417 N SER A 29 2.542 -12.845 -1.987 1.00 0.59 N ATOM 418 CA SER A 29 3.434 -11.696 -1.927 1.00 0.62 C ATOM 419 C SER A 29 2.921 -10.658 -0.939 1.00 0.51 C ATOM 420 O SER A 29 3.688 -10.102 -0.162 1.00 0.53 O ATOM 421 CB SER A 29 3.580 -11.055 -3.298 1.00 0.73 C ATOM 422 OG SER A 29 3.814 -12.034 -4.295 1.00 0.81 O ATOM 0 H SER A 29 1.959 -12.887 -2.823 1.00 0.59 H new ATOM 0 HA SER A 29 4.407 -12.054 -1.592 1.00 0.62 H new ATOM 0 HB2 SER A 29 2.677 -10.494 -3.539 1.00 0.73 H new ATOM 0 HB3 SER A 29 4.404 -10.341 -3.284 1.00 0.73 H new ATOM 0 HG SER A 29 2.986 -12.528 -4.469 1.00 0.81 H new ATOM 428 N ARG A 30 1.619 -10.407 -0.971 1.00 0.48 N ATOM 429 CA ARG A 30 1.006 -9.440 -0.067 1.00 0.45 C ATOM 430 C ARG A 30 1.164 -9.899 1.380 1.00 0.46 C ATOM 431 O ARG A 30 1.239 -9.085 2.290 1.00 0.56 O ATOM 432 CB ARG A 30 -0.478 -9.241 -0.421 1.00 0.52 C ATOM 433 CG ARG A 30 -0.823 -7.904 -1.090 1.00 0.49 C ATOM 434 CD ARG A 30 0.212 -7.477 -2.126 1.00 0.76 C ATOM 435 NE ARG A 30 0.422 -8.483 -3.170 1.00 1.55 N ATOM 436 CZ ARG A 30 1.280 -8.336 -4.181 1.00 2.24 C ATOM 437 NH1 ARG A 30 2.008 -7.231 -4.282 1.00 2.43 N ATOM 438 NH2 ARG A 30 1.410 -9.295 -5.090 1.00 3.24 N ATOM 0 H ARG A 30 0.967 -10.858 -1.612 1.00 0.48 H new ATOM 0 HA ARG A 30 1.512 -8.481 -0.180 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -0.787 -10.049 -1.083 1.00 0.52 H new ATOM 0 HB3 ARG A 30 -1.067 -9.334 0.491 1.00 0.52 H new ATOM 0 HG2 ARG A 30 -1.799 -7.984 -1.569 1.00 0.49 H new ATOM 0 HG3 ARG A 30 -0.906 -7.131 -0.326 1.00 0.49 H new ATOM 0 HD2 ARG A 30 -0.108 -6.543 -2.588 1.00 0.76 H new ATOM 0 HD3 ARG A 30 1.159 -7.277 -1.625 1.00 0.76 H new ATOM 0 HE ARG A 30 -0.119 -9.346 -3.121 1.00 1.55 H new ATOM 0 HH11 ARG A 30 1.912 -6.492 -3.586 1.00 2.43 H new ATOM 0 HH12 ARG A 30 2.663 -7.121 -5.056 1.00 2.43 H new ATOM 0 HH21 ARG A 30 0.853 -10.146 -5.016 1.00 3.24 H new ATOM 0 HH22 ARG A 30 2.067 -9.180 -5.862 1.00 3.24 H new ATOM 452 N ARG A 31 1.252 -11.206 1.583 1.00 0.45 N ATOM 453 CA ARG A 31 1.376 -11.750 2.927 1.00 0.47 C ATOM 454 C ARG A 31 2.772 -11.490 3.510 1.00 0.45 C ATOM 455 O ARG A 31 2.916 -11.281 4.716 1.00 0.50 O ATOM 456 CB ARG A 31 1.065 -13.248 2.928 1.00 0.53 C ATOM 457 CG ARG A 31 0.662 -13.774 4.293 1.00 1.14 C ATOM 458 CD ARG A 31 0.212 -15.225 4.235 1.00 1.21 C ATOM 459 NE ARG A 31 -0.539 -15.594 5.433 1.00 1.89 N ATOM 460 CZ ARG A 31 -0.947 -16.828 5.730 1.00 2.16 C ATOM 461 NH1 ARG A 31 -0.653 -17.850 4.937 1.00 1.87 N ATOM 462 NH2 ARG A 31 -1.665 -17.026 6.828 1.00 3.18 N ATOM 0 H ARG A 31 1.240 -11.905 0.840 1.00 0.45 H new ATOM 0 HA ARG A 31 0.651 -11.241 3.561 1.00 0.47 H new ATOM 0 HB2 ARG A 31 0.262 -13.446 2.218 1.00 0.53 H new ATOM 0 HB3 ARG A 31 1.941 -13.795 2.579 1.00 0.53 H new ATOM 0 HG2 ARG A 31 1.504 -13.683 4.979 1.00 1.14 H new ATOM 0 HG3 ARG A 31 -0.144 -13.160 4.694 1.00 1.14 H new ATOM 0 HD2 ARG A 31 -0.407 -15.381 3.352 1.00 1.21 H new ATOM 0 HD3 ARG A 31 1.082 -15.874 4.133 1.00 1.21 H new ATOM 0 HE ARG A 31 -0.769 -14.851 6.092 1.00 1.89 H new ATOM 0 HH11 ARG A 31 -0.109 -17.697 4.088 1.00 1.87 H new ATOM 0 HH12 ARG A 31 -0.971 -18.789 5.176 1.00 1.87 H new ATOM 0 HH21 ARG A 31 -1.899 -16.239 7.433 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -1.983 -17.965 7.067 1.00 3.18 H new ATOM 476 N PHE A 32 3.801 -11.485 2.658 1.00 0.45 N ATOM 477 CA PHE A 32 5.167 -11.229 3.126 1.00 0.53 C ATOM 478 C PHE A 32 5.490 -9.741 3.001 1.00 0.53 C ATOM 479 O PHE A 32 6.548 -9.273 3.417 1.00 0.57 O ATOM 480 CB PHE A 32 6.191 -12.095 2.356 1.00 0.66 C ATOM 481 CG PHE A 32 6.783 -11.476 1.111 1.00 0.57 C ATOM 482 CD1 PHE A 32 7.921 -10.680 1.183 1.00 0.66 C ATOM 483 CD2 PHE A 32 6.222 -11.714 -0.132 1.00 0.88 C ATOM 484 CE1 PHE A 32 8.479 -10.133 0.043 1.00 0.93 C ATOM 485 CE2 PHE A 32 6.776 -11.166 -1.275 1.00 1.10 C ATOM 486 CZ PHE A 32 7.904 -10.377 -1.187 1.00 1.08 C ATOM 0 H PHE A 32 3.718 -11.653 1.655 1.00 0.45 H new ATOM 0 HA PHE A 32 5.235 -11.509 4.177 1.00 0.53 H new ATOM 0 HB2 PHE A 32 7.006 -12.347 3.035 1.00 0.66 H new ATOM 0 HB3 PHE A 32 5.707 -13.031 2.077 1.00 0.66 H new ATOM 0 HD1 PHE A 32 8.375 -10.486 2.144 1.00 0.66 H new ATOM 0 HD2 PHE A 32 5.342 -12.335 -0.210 1.00 0.88 H new ATOM 0 HE1 PHE A 32 9.363 -9.516 0.115 1.00 0.93 H new ATOM 0 HE2 PHE A 32 6.325 -11.356 -2.238 1.00 1.10 H new ATOM 0 HZ PHE A 32 8.337 -9.951 -2.080 1.00 1.08 H new ATOM 496 N LEU A 33 4.534 -9.007 2.460 1.00 0.51 N ATOM 497 CA LEU A 33 4.687 -7.587 2.184 1.00 0.53 C ATOM 498 C LEU A 33 4.335 -6.770 3.428 1.00 0.45 C ATOM 499 O LEU A 33 4.588 -5.568 3.492 1.00 0.44 O ATOM 500 CB LEU A 33 3.794 -7.196 1.002 1.00 0.60 C ATOM 501 CG LEU A 33 4.227 -5.953 0.230 1.00 0.93 C ATOM 502 CD1 LEU A 33 5.598 -6.157 -0.393 1.00 0.92 C ATOM 503 CD2 LEU A 33 3.201 -5.618 -0.839 1.00 1.70 C ATOM 0 H LEU A 33 3.622 -9.381 2.197 1.00 0.51 H new ATOM 0 HA LEU A 33 5.724 -7.376 1.922 1.00 0.53 H new ATOM 0 HB2 LEU A 33 3.752 -8.036 0.309 1.00 0.60 H new ATOM 0 HB3 LEU A 33 2.781 -7.037 1.372 1.00 0.60 H new ATOM 0 HG LEU A 33 4.292 -5.118 0.927 1.00 0.93 H new ATOM 0 HD11 LEU A 33 5.887 -5.259 -0.939 1.00 0.92 H new ATOM 0 HD12 LEU A 33 6.328 -6.356 0.391 1.00 0.92 H new ATOM 0 HD13 LEU A 33 5.563 -7.003 -1.079 1.00 0.92 H new ATOM 0 HD21 LEU A 33 3.520 -4.729 -1.384 1.00 1.70 H new ATOM 0 HD22 LEU A 33 3.110 -6.455 -1.531 1.00 1.70 H new ATOM 0 HD23 LEU A 33 2.235 -5.429 -0.370 1.00 1.70 H new ATOM 515 N GLU A 34 3.765 -7.455 4.416 1.00 0.39 N ATOM 516 CA GLU A 34 3.306 -6.822 5.651 1.00 0.35 C ATOM 517 C GLU A 34 4.455 -6.085 6.363 1.00 0.35 C ATOM 518 O GLU A 34 4.342 -4.888 6.642 1.00 0.30 O ATOM 519 CB GLU A 34 2.685 -7.874 6.581 1.00 0.39 C ATOM 520 CG GLU A 34 2.310 -7.348 7.959 1.00 0.43 C ATOM 521 CD GLU A 34 1.991 -8.467 8.930 1.00 0.78 C ATOM 522 OE1 GLU A 34 1.052 -9.238 8.660 1.00 1.17 O ATOM 523 OE2 GLU A 34 2.697 -8.595 9.956 1.00 1.26 O ATOM 0 H GLU A 34 3.608 -8.462 4.384 1.00 0.39 H new ATOM 0 HA GLU A 34 2.548 -6.083 5.393 1.00 0.35 H new ATOM 0 HB2 GLU A 34 1.793 -8.281 6.105 1.00 0.39 H new ATOM 0 HB3 GLU A 34 3.388 -8.698 6.699 1.00 0.39 H new ATOM 0 HG2 GLU A 34 3.131 -6.749 8.354 1.00 0.43 H new ATOM 0 HG3 GLU A 34 1.447 -6.688 7.872 1.00 0.43 H new ATOM 530 N PRO A 35 5.583 -6.774 6.662 1.00 0.43 N ATOM 531 CA PRO A 35 6.724 -6.146 7.337 1.00 0.48 C ATOM 532 C PRO A 35 7.381 -5.084 6.464 1.00 0.45 C ATOM 533 O PRO A 35 7.917 -4.094 6.962 1.00 0.47 O ATOM 534 CB PRO A 35 7.701 -7.306 7.581 1.00 0.63 C ATOM 535 CG PRO A 35 6.909 -8.550 7.361 1.00 0.79 C ATOM 536 CD PRO A 35 5.843 -8.197 6.378 1.00 0.50 C ATOM 0 HA PRO A 35 6.421 -5.637 8.252 1.00 0.48 H new ATOM 0 HB2 PRO A 35 8.549 -7.255 6.898 1.00 0.63 H new ATOM 0 HB3 PRO A 35 8.105 -7.272 8.593 1.00 0.63 H new ATOM 0 HG2 PRO A 35 7.541 -9.351 6.979 1.00 0.79 H new ATOM 0 HG3 PRO A 35 6.475 -8.905 8.295 1.00 0.79 H new ATOM 0 HD2 PRO A 35 6.176 -8.349 5.351 1.00 0.50 H new ATOM 0 HD3 PRO A 35 4.949 -8.805 6.517 1.00 0.50 H new ATOM 544 N PHE A 36 7.331 -5.305 5.157 1.00 0.44 N ATOM 545 CA PHE A 36 7.940 -4.401 4.194 1.00 0.49 C ATOM 546 C PHE A 36 7.210 -3.064 4.165 1.00 0.39 C ATOM 547 O PHE A 36 7.826 -2.013 4.007 1.00 0.43 O ATOM 548 CB PHE A 36 7.928 -5.040 2.800 1.00 0.62 C ATOM 549 CG PHE A 36 8.830 -4.362 1.807 1.00 0.66 C ATOM 550 CD1 PHE A 36 10.174 -4.692 1.724 1.00 0.79 C ATOM 551 CD2 PHE A 36 8.330 -3.390 0.959 1.00 1.36 C ATOM 552 CE1 PHE A 36 11.000 -4.065 0.813 1.00 1.21 C ATOM 553 CE2 PHE A 36 9.151 -2.757 0.047 1.00 2.02 C ATOM 554 CZ PHE A 36 10.509 -3.127 -0.029 1.00 1.87 C ATOM 0 H PHE A 36 6.869 -6.112 4.737 1.00 0.44 H new ATOM 0 HA PHE A 36 8.971 -4.218 4.497 1.00 0.49 H new ATOM 0 HB2 PHE A 36 8.224 -6.085 2.889 1.00 0.62 H new ATOM 0 HB3 PHE A 36 6.908 -5.029 2.415 1.00 0.62 H new ATOM 0 HD1 PHE A 36 10.579 -5.448 2.380 1.00 0.79 H new ATOM 0 HD2 PHE A 36 7.285 -3.123 1.011 1.00 1.36 H new ATOM 0 HE1 PHE A 36 12.047 -4.326 0.772 1.00 1.21 H new ATOM 0 HE2 PHE A 36 8.757 -1.987 -0.600 1.00 2.02 H new ATOM 0 HZ PHE A 36 11.156 -2.662 -0.758 1.00 1.87 H new ATOM 564 N LEU A 37 5.899 -3.113 4.326 1.00 0.30 N ATOM 565 CA LEU A 37 5.074 -1.920 4.238 1.00 0.29 C ATOM 566 C LEU A 37 4.924 -1.214 5.579 1.00 0.24 C ATOM 567 O LEU A 37 4.540 -0.049 5.627 1.00 0.27 O ATOM 568 CB LEU A 37 3.700 -2.286 3.682 1.00 0.31 C ATOM 569 CG LEU A 37 3.569 -2.246 2.156 1.00 0.57 C ATOM 570 CD1 LEU A 37 4.853 -2.685 1.470 1.00 0.90 C ATOM 571 CD2 LEU A 37 2.427 -3.138 1.724 1.00 1.18 C ATOM 0 H LEU A 37 5.381 -3.970 4.519 1.00 0.30 H new ATOM 0 HA LEU A 37 5.576 -1.224 3.566 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.445 -3.289 4.024 1.00 0.31 H new ATOM 0 HB3 LEU A 37 2.963 -1.607 4.110 1.00 0.31 H new ATOM 0 HG LEU A 37 3.370 -1.216 1.861 1.00 0.57 H new ATOM 0 HD11 LEU A 37 4.721 -2.643 0.389 1.00 0.90 H new ATOM 0 HD12 LEU A 37 5.667 -2.021 1.762 1.00 0.90 H new ATOM 0 HD13 LEU A 37 5.093 -3.706 1.767 1.00 0.90 H new ATOM 0 HD21 LEU A 37 2.334 -3.110 0.638 1.00 1.18 H new ATOM 0 HD22 LEU A 37 2.623 -4.161 2.045 1.00 1.18 H new ATOM 0 HD23 LEU A 37 1.500 -2.787 2.177 1.00 1.18 H new ATOM 583 N ARG A 38 5.202 -1.905 6.673 1.00 0.24 N ATOM 584 CA ARG A 38 5.091 -1.276 7.979 1.00 0.31 C ATOM 585 C ARG A 38 6.147 -0.190 8.159 1.00 0.30 C ATOM 586 O ARG A 38 7.347 -0.456 8.103 1.00 0.41 O ATOM 587 CB ARG A 38 5.207 -2.299 9.108 1.00 0.44 C ATOM 588 CG ARG A 38 5.044 -1.661 10.476 1.00 0.82 C ATOM 589 CD ARG A 38 4.938 -2.689 11.583 1.00 1.06 C ATOM 590 NE ARG A 38 4.487 -2.073 12.826 1.00 2.16 N ATOM 591 CZ ARG A 38 5.171 -2.102 13.964 1.00 2.73 C ATOM 592 NH1 ARG A 38 6.321 -2.761 14.039 1.00 2.36 N ATOM 593 NH2 ARG A 38 4.697 -1.477 15.033 1.00 3.90 N ATOM 0 H ARG A 38 5.500 -2.880 6.685 1.00 0.24 H new ATOM 0 HA ARG A 38 4.103 -0.819 8.027 1.00 0.31 H new ATOM 0 HB2 ARG A 38 4.449 -3.071 8.976 1.00 0.44 H new ATOM 0 HB3 ARG A 38 6.178 -2.792 9.052 1.00 0.44 H new ATOM 0 HG2 ARG A 38 5.893 -1.006 10.672 1.00 0.82 H new ATOM 0 HG3 ARG A 38 4.152 -1.035 10.478 1.00 0.82 H new ATOM 0 HD2 ARG A 38 4.242 -3.475 11.289 1.00 1.06 H new ATOM 0 HD3 ARG A 38 5.907 -3.163 11.738 1.00 1.06 H new ATOM 0 HE ARG A 38 3.589 -1.589 12.821 1.00 2.16 H new ATOM 0 HH11 ARG A 38 6.684 -3.249 13.220 1.00 2.36 H new ATOM 0 HH12 ARG A 38 6.842 -2.780 14.916 1.00 2.36 H new ATOM 0 HH21 ARG A 38 3.810 -0.976 14.979 1.00 3.90 H new ATOM 0 HH22 ARG A 38 5.219 -1.497 15.909 1.00 3.90 H new ATOM 607 N GLY A 39 5.682 1.031 8.368 1.00 0.28 N ATOM 608 CA GLY A 39 6.576 2.137 8.630 1.00 0.31 C ATOM 609 C GLY A 39 6.821 2.993 7.407 1.00 0.28 C ATOM 610 O GLY A 39 7.768 3.781 7.374 1.00 0.35 O ATOM 0 H GLY A 39 4.692 1.277 8.361 1.00 0.28 H new ATOM 0 HA2 GLY A 39 6.158 2.756 9.424 1.00 0.31 H new ATOM 0 HA3 GLY A 39 7.528 1.751 8.995 1.00 0.31 H new ATOM 614 N ILE A 40 5.961 2.871 6.403 1.00 0.24 N ATOM 615 CA ILE A 40 6.167 3.623 5.166 1.00 0.22 C ATOM 616 C ILE A 40 5.092 4.685 4.995 1.00 0.21 C ATOM 617 O ILE A 40 4.103 4.699 5.721 1.00 0.21 O ATOM 618 CB ILE A 40 6.185 2.718 3.908 1.00 0.21 C ATOM 619 CG1 ILE A 40 4.796 2.130 3.633 1.00 0.18 C ATOM 620 CG2 ILE A 40 7.218 1.610 4.065 1.00 0.21 C ATOM 621 CD1 ILE A 40 4.708 1.322 2.351 1.00 0.19 C ATOM 0 H ILE A 40 5.133 2.275 6.415 1.00 0.24 H new ATOM 0 HA ILE A 40 7.147 4.092 5.258 1.00 0.22 H new ATOM 0 HB ILE A 40 6.464 3.332 3.051 1.00 0.21 H new ATOM 0 HG12 ILE A 40 4.510 1.494 4.471 1.00 0.18 H new ATOM 0 HG13 ILE A 40 4.071 2.943 3.588 1.00 0.18 H new ATOM 0 HG21 ILE A 40 7.218 0.983 3.173 1.00 0.21 H new ATOM 0 HG22 ILE A 40 8.206 2.050 4.199 1.00 0.21 H new ATOM 0 HG23 ILE A 40 6.970 1.002 4.935 1.00 0.21 H new ATOM 0 HD11 ILE A 40 3.694 0.941 2.230 1.00 0.19 H new ATOM 0 HD12 ILE A 40 4.961 1.958 1.502 1.00 0.19 H new ATOM 0 HD13 ILE A 40 5.406 0.486 2.399 1.00 0.19 H new ATOM 633 N ASN A 41 5.299 5.585 4.049 1.00 0.21 N ATOM 634 CA ASN A 41 4.278 6.557 3.690 1.00 0.20 C ATOM 635 C ASN A 41 3.936 6.382 2.222 1.00 0.16 C ATOM 636 O ASN A 41 4.825 6.218 1.382 1.00 0.18 O ATOM 637 CB ASN A 41 4.743 7.998 3.971 1.00 0.29 C ATOM 638 CG ASN A 41 5.777 8.511 2.980 1.00 0.99 C ATOM 639 OD1 ASN A 41 5.435 9.094 1.953 1.00 2.00 O ATOM 640 ND2 ASN A 41 7.049 8.318 3.290 1.00 1.23 N ATOM 0 H ASN A 41 6.165 5.664 3.515 1.00 0.21 H new ATOM 0 HA ASN A 41 3.393 6.384 4.302 1.00 0.20 H new ATOM 0 HB2 ASN A 41 3.877 8.660 3.954 1.00 0.29 H new ATOM 0 HB3 ASN A 41 5.161 8.046 4.976 1.00 0.29 H new ATOM 0 HD21 ASN A 41 7.783 8.657 2.668 1.00 1.23 H new ATOM 0 HD22 ASN A 41 7.296 7.830 4.151 1.00 1.23 H new ATOM 647 N VAL A 42 2.655 6.371 1.917 1.00 0.13 N ATOM 648 CA VAL A 42 2.209 6.231 0.547 1.00 0.14 C ATOM 649 C VAL A 42 1.266 7.358 0.181 1.00 0.15 C ATOM 650 O VAL A 42 0.524 7.875 1.022 1.00 0.18 O ATOM 651 CB VAL A 42 1.500 4.877 0.303 1.00 0.16 C ATOM 652 CG1 VAL A 42 2.477 3.720 0.450 1.00 0.17 C ATOM 653 CG2 VAL A 42 0.319 4.701 1.247 1.00 0.19 C ATOM 0 H VAL A 42 1.903 6.458 2.601 1.00 0.13 H new ATOM 0 HA VAL A 42 3.098 6.270 -0.082 1.00 0.14 H new ATOM 0 HB VAL A 42 1.121 4.878 -0.719 1.00 0.16 H new ATOM 0 HG11 VAL A 42 1.956 2.779 0.274 1.00 0.17 H new ATOM 0 HG12 VAL A 42 3.283 3.830 -0.276 1.00 0.17 H new ATOM 0 HG13 VAL A 42 2.893 3.721 1.457 1.00 0.17 H new ATOM 0 HG21 VAL A 42 -0.161 3.742 1.054 1.00 0.19 H new ATOM 0 HG22 VAL A 42 0.670 4.730 2.278 1.00 0.19 H new ATOM 0 HG23 VAL A 42 -0.399 5.505 1.085 1.00 0.19 H new ATOM 663 N VAL A 43 1.313 7.743 -1.074 1.00 0.18 N ATOM 664 CA VAL A 43 0.400 8.719 -1.611 1.00 0.22 C ATOM 665 C VAL A 43 -0.833 7.985 -2.118 1.00 0.20 C ATOM 666 O VAL A 43 -0.809 7.360 -3.181 1.00 0.20 O ATOM 667 CB VAL A 43 1.063 9.513 -2.761 1.00 0.28 C ATOM 668 CG1 VAL A 43 0.159 10.627 -3.261 1.00 0.88 C ATOM 669 CG2 VAL A 43 2.408 10.074 -2.319 1.00 0.75 C ATOM 0 H VAL A 43 1.988 7.386 -1.750 1.00 0.18 H new ATOM 0 HA VAL A 43 0.122 9.432 -0.835 1.00 0.22 H new ATOM 0 HB VAL A 43 1.228 8.822 -3.588 1.00 0.28 H new ATOM 0 HG11 VAL A 43 0.656 11.164 -4.069 1.00 0.88 H new ATOM 0 HG12 VAL A 43 -0.774 10.201 -3.629 1.00 0.88 H new ATOM 0 HG13 VAL A 43 -0.055 11.316 -2.444 1.00 0.88 H new ATOM 0 HG21 VAL A 43 2.859 10.629 -3.142 1.00 0.75 H new ATOM 0 HG22 VAL A 43 2.263 10.740 -1.468 1.00 0.75 H new ATOM 0 HG23 VAL A 43 3.067 9.255 -2.030 1.00 0.75 H new ATOM 679 N TYR A 44 -1.901 8.052 -1.346 1.00 0.21 N ATOM 680 CA TYR A 44 -3.119 7.327 -1.651 1.00 0.22 C ATOM 681 C TYR A 44 -4.013 8.177 -2.527 1.00 0.22 C ATOM 682 O TYR A 44 -4.548 9.193 -2.087 1.00 0.24 O ATOM 683 CB TYR A 44 -3.842 6.935 -0.356 1.00 0.27 C ATOM 684 CG TYR A 44 -5.191 6.273 -0.564 1.00 0.32 C ATOM 685 CD1 TYR A 44 -5.283 5.006 -1.130 1.00 0.39 C ATOM 686 CD2 TYR A 44 -6.369 6.917 -0.209 1.00 0.42 C ATOM 687 CE1 TYR A 44 -6.509 4.401 -1.332 1.00 0.47 C ATOM 688 CE2 TYR A 44 -7.599 6.320 -0.410 1.00 0.50 C ATOM 689 CZ TYR A 44 -7.667 5.054 -0.921 1.00 0.50 C ATOM 690 OH TYR A 44 -8.890 4.470 -1.179 1.00 0.59 O ATOM 0 H TYR A 44 -1.949 8.609 -0.493 1.00 0.21 H new ATOM 0 HA TYR A 44 -2.867 6.413 -2.190 1.00 0.22 H new ATOM 0 HB2 TYR A 44 -3.203 6.258 0.211 1.00 0.27 H new ATOM 0 HB3 TYR A 44 -3.980 7.829 0.253 1.00 0.27 H new ATOM 0 HD1 TYR A 44 -4.381 4.486 -1.417 1.00 0.39 H new ATOM 0 HD2 TYR A 44 -6.323 7.902 0.232 1.00 0.42 H new ATOM 0 HE1 TYR A 44 -6.568 3.431 -1.804 1.00 0.47 H new ATOM 0 HE2 TYR A 44 -8.505 6.853 -0.164 1.00 0.50 H new ATOM 0 HH TYR A 44 -9.606 5.043 -0.832 1.00 0.59 H new ATOM 700 N THR A 45 -4.152 7.768 -3.771 1.00 0.24 N ATOM 701 CA THR A 45 -4.984 8.484 -4.708 1.00 0.28 C ATOM 702 C THR A 45 -6.322 7.775 -4.860 1.00 0.28 C ATOM 703 O THR A 45 -6.405 6.718 -5.485 1.00 0.30 O ATOM 704 CB THR A 45 -4.298 8.599 -6.082 1.00 0.36 C ATOM 705 OG1 THR A 45 -2.976 9.129 -5.917 1.00 1.08 O ATOM 706 CG2 THR A 45 -5.091 9.499 -7.019 1.00 1.10 C ATOM 0 H THR A 45 -3.697 6.940 -4.155 1.00 0.24 H new ATOM 0 HA THR A 45 -5.146 9.489 -4.320 1.00 0.28 H new ATOM 0 HB THR A 45 -4.248 7.603 -6.522 1.00 0.36 H new ATOM 0 HG1 THR A 45 -2.540 9.200 -6.792 1.00 1.08 H new ATOM 0 HG21 THR A 45 -4.582 9.561 -7.981 1.00 1.10 H new ATOM 0 HG22 THR A 45 -6.089 9.085 -7.162 1.00 1.10 H new ATOM 0 HG23 THR A 45 -5.170 10.496 -6.585 1.00 1.10 H new ATOM 714 N PRO A 46 -7.378 8.337 -4.269 1.00 0.31 N ATOM 715 CA PRO A 46 -8.723 7.794 -4.383 1.00 0.35 C ATOM 716 C PRO A 46 -9.293 8.062 -5.764 1.00 0.38 C ATOM 717 O PRO A 46 -9.124 9.157 -6.304 1.00 0.38 O ATOM 718 CB PRO A 46 -9.526 8.551 -3.314 1.00 0.40 C ATOM 719 CG PRO A 46 -8.523 9.333 -2.529 1.00 0.47 C ATOM 720 CD PRO A 46 -7.357 9.549 -3.444 1.00 0.37 C ATOM 0 HA PRO A 46 -8.750 6.713 -4.242 1.00 0.35 H new ATOM 0 HB2 PRO A 46 -10.263 9.210 -3.773 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -10.072 7.859 -2.672 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -8.941 10.284 -2.200 1.00 0.47 H new ATOM 0 HG3 PRO A 46 -8.220 8.791 -1.633 1.00 0.47 H new ATOM 0 HD2 PRO A 46 -7.473 10.451 -4.044 1.00 0.37 H new ATOM 0 HD3 PRO A 46 -6.422 9.650 -2.894 1.00 0.37 H new ATOM 728 N PRO A 47 -9.941 7.052 -6.367 1.00 0.45 N ATOM 729 CA PRO A 47 -10.593 7.199 -7.666 1.00 0.56 C ATOM 730 C PRO A 47 -11.460 8.450 -7.721 1.00 0.59 C ATOM 731 O PRO A 47 -12.083 8.832 -6.727 1.00 0.56 O ATOM 732 CB PRO A 47 -11.444 5.935 -7.778 1.00 0.62 C ATOM 733 CG PRO A 47 -10.712 4.925 -6.968 1.00 0.55 C ATOM 734 CD PRO A 47 -10.074 5.684 -5.834 1.00 0.49 C ATOM 0 HA PRO A 47 -9.880 7.311 -8.483 1.00 0.56 H new ATOM 0 HB2 PRO A 47 -12.451 6.098 -7.394 1.00 0.62 H new ATOM 0 HB3 PRO A 47 -11.546 5.615 -8.815 1.00 0.62 H new ATOM 0 HG2 PRO A 47 -11.391 4.160 -6.592 1.00 0.55 H new ATOM 0 HG3 PRO A 47 -9.959 4.415 -7.569 1.00 0.55 H new ATOM 0 HD2 PRO A 47 -10.693 5.661 -4.937 1.00 0.49 H new ATOM 0 HD3 PRO A 47 -9.106 5.263 -5.564 1.00 0.49 H new ATOM 742 N GLN A 48 -11.490 9.080 -8.888 1.00 0.70 N ATOM 743 CA GLN A 48 -12.146 10.374 -9.073 1.00 0.79 C ATOM 744 C GLN A 48 -13.645 10.316 -8.763 1.00 0.77 C ATOM 745 O GLN A 48 -14.316 11.346 -8.703 1.00 0.83 O ATOM 746 CB GLN A 48 -11.909 10.872 -10.500 1.00 0.96 C ATOM 747 CG GLN A 48 -12.491 9.970 -11.577 1.00 1.50 C ATOM 748 CD GLN A 48 -11.886 10.222 -12.945 1.00 1.79 C ATOM 749 OE1 GLN A 48 -11.820 9.323 -13.781 1.00 2.22 O ATOM 750 NE2 GLN A 48 -11.420 11.438 -13.179 1.00 2.18 N ATOM 0 H GLN A 48 -11.060 8.710 -9.736 1.00 0.70 H new ATOM 0 HA GLN A 48 -11.706 11.075 -8.364 1.00 0.79 H new ATOM 0 HB2 GLN A 48 -12.341 11.867 -10.602 1.00 0.96 H new ATOM 0 HB3 GLN A 48 -10.836 10.972 -10.665 1.00 0.96 H new ATOM 0 HG2 GLN A 48 -12.328 8.929 -11.299 1.00 1.50 H new ATOM 0 HG3 GLN A 48 -13.569 10.122 -11.628 1.00 1.50 H new ATOM 0 HE21 GLN A 48 -11.492 12.159 -12.461 1.00 2.18 H new ATOM 0 HE22 GLN A 48 -10.988 11.655 -14.077 1.00 2.18 H new ATOM 759 N SER A 49 -14.160 9.113 -8.555 1.00 0.72 N ATOM 760 CA SER A 49 -15.551 8.916 -8.183 1.00 0.74 C ATOM 761 C SER A 49 -15.761 9.161 -6.686 1.00 0.71 C ATOM 762 O SER A 49 -16.892 9.296 -6.220 1.00 0.78 O ATOM 763 CB SER A 49 -15.972 7.497 -8.557 1.00 0.77 C ATOM 764 OG SER A 49 -14.999 6.554 -8.130 1.00 1.75 O ATOM 0 H SER A 49 -13.626 8.248 -8.639 1.00 0.72 H new ATOM 0 HA SER A 49 -16.168 9.634 -8.723 1.00 0.74 H new ATOM 0 HB2 SER A 49 -16.934 7.266 -8.100 1.00 0.77 H new ATOM 0 HB3 SER A 49 -16.106 7.425 -9.636 1.00 0.77 H new ATOM 0 HG SER A 49 -15.448 5.753 -7.789 1.00 1.75 H new ATOM 770 N PHE A 50 -14.663 9.224 -5.940 1.00 0.65 N ATOM 771 CA PHE A 50 -14.729 9.424 -4.496 1.00 0.64 C ATOM 772 C PHE A 50 -14.734 10.904 -4.133 1.00 0.71 C ATOM 773 O PHE A 50 -15.253 11.282 -3.084 1.00 0.77 O ATOM 774 CB PHE A 50 -13.547 8.750 -3.794 1.00 0.57 C ATOM 775 CG PHE A 50 -13.645 7.254 -3.701 1.00 0.53 C ATOM 776 CD1 PHE A 50 -13.489 6.472 -4.833 1.00 0.60 C ATOM 777 CD2 PHE A 50 -13.905 6.632 -2.492 1.00 0.59 C ATOM 778 CE1 PHE A 50 -13.590 5.097 -4.761 1.00 0.68 C ATOM 779 CE2 PHE A 50 -14.009 5.257 -2.412 1.00 0.66 C ATOM 780 CZ PHE A 50 -13.797 4.489 -3.509 1.00 0.68 C ATOM 0 H PHE A 50 -13.717 9.140 -6.311 1.00 0.65 H new ATOM 0 HA PHE A 50 -15.662 8.972 -4.160 1.00 0.64 H new ATOM 0 HB2 PHE A 50 -12.631 9.009 -4.325 1.00 0.57 H new ATOM 0 HB3 PHE A 50 -13.458 9.158 -2.787 1.00 0.57 H new ATOM 0 HD1 PHE A 50 -13.286 6.943 -5.783 1.00 0.60 H new ATOM 0 HD2 PHE A 50 -14.028 7.229 -1.600 1.00 0.59 H new ATOM 0 HE1 PHE A 50 -13.511 4.495 -5.655 1.00 0.68 H new ATOM 0 HE2 PHE A 50 -14.261 4.791 -1.471 1.00 0.66 H new ATOM 0 HZ PHE A 50 -13.787 3.413 -3.422 1.00 0.68 H new ATOM 790 N GLN A 51 -14.120 11.725 -4.993 1.00 0.72 N ATOM 791 CA GLN A 51 -13.993 13.173 -4.768 1.00 0.79 C ATOM 792 C GLN A 51 -12.983 13.480 -3.667 1.00 0.66 C ATOM 793 O GLN A 51 -12.815 14.629 -3.257 1.00 0.83 O ATOM 794 CB GLN A 51 -15.346 13.822 -4.453 1.00 1.07 C ATOM 795 CG GLN A 51 -16.124 14.229 -5.691 1.00 1.23 C ATOM 796 CD GLN A 51 -15.361 15.232 -6.530 1.00 1.98 C ATOM 797 OE1 GLN A 51 -14.633 14.865 -7.457 1.00 2.73 O ATOM 798 NE2 GLN A 51 -15.495 16.504 -6.193 1.00 2.45 N ATOM 0 H GLN A 51 -13.697 11.406 -5.865 1.00 0.72 H new ATOM 0 HA GLN A 51 -13.625 13.605 -5.698 1.00 0.79 H new ATOM 0 HB2 GLN A 51 -15.947 13.126 -3.868 1.00 1.07 H new ATOM 0 HB3 GLN A 51 -15.182 14.702 -3.831 1.00 1.07 H new ATOM 0 HG2 GLN A 51 -16.342 13.345 -6.290 1.00 1.23 H new ATOM 0 HG3 GLN A 51 -17.082 14.657 -5.394 1.00 1.23 H new ATOM 0 HE21 GLN A 51 -16.107 16.765 -5.420 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -14.986 17.224 -6.706 1.00 2.45 H new ATOM 807 N SER A 52 -12.313 12.441 -3.205 1.00 0.53 N ATOM 808 CA SER A 52 -11.279 12.588 -2.199 1.00 0.50 C ATOM 809 C SER A 52 -9.937 12.893 -2.861 1.00 0.42 C ATOM 810 O SER A 52 -9.572 12.286 -3.874 1.00 0.44 O ATOM 811 CB SER A 52 -11.185 11.319 -1.344 1.00 0.55 C ATOM 812 OG SER A 52 -10.282 11.486 -0.263 1.00 1.21 O ATOM 0 H SER A 52 -12.468 11.481 -3.513 1.00 0.53 H new ATOM 0 HA SER A 52 -11.539 13.422 -1.548 1.00 0.50 H new ATOM 0 HB2 SER A 52 -12.172 11.065 -0.959 1.00 0.55 H new ATOM 0 HB3 SER A 52 -10.860 10.484 -1.965 1.00 0.55 H new ATOM 0 HG SER A 52 -10.246 10.660 0.264 1.00 1.21 H new ATOM 818 N ALA A 53 -9.228 13.855 -2.296 1.00 0.48 N ATOM 819 CA ALA A 53 -7.924 14.261 -2.793 1.00 0.52 C ATOM 820 C ALA A 53 -6.855 13.297 -2.301 1.00 0.41 C ATOM 821 O ALA A 53 -6.968 12.768 -1.203 1.00 0.44 O ATOM 822 CB ALA A 53 -7.612 15.680 -2.338 1.00 0.73 C ATOM 0 H ALA A 53 -9.541 14.378 -1.478 1.00 0.48 H new ATOM 0 HA ALA A 53 -7.936 14.240 -3.883 1.00 0.52 H new ATOM 0 HB1 ALA A 53 -6.633 15.976 -2.715 1.00 0.73 H new ATOM 0 HB2 ALA A 53 -8.371 16.361 -2.724 1.00 0.73 H new ATOM 0 HB3 ALA A 53 -7.609 15.720 -1.249 1.00 0.73 H new ATOM 828 N PRO A 54 -5.833 13.018 -3.130 1.00 0.39 N ATOM 829 CA PRO A 54 -4.715 12.146 -2.753 1.00 0.32 C ATOM 830 C PRO A 54 -4.172 12.457 -1.357 1.00 0.29 C ATOM 831 O PRO A 54 -3.672 13.557 -1.100 1.00 0.36 O ATOM 832 CB PRO A 54 -3.666 12.454 -3.815 1.00 0.39 C ATOM 833 CG PRO A 54 -4.460 12.820 -5.018 1.00 0.52 C ATOM 834 CD PRO A 54 -5.688 13.527 -4.508 1.00 0.52 C ATOM 0 HA PRO A 54 -5.010 11.098 -2.710 1.00 0.32 H new ATOM 0 HB2 PRO A 54 -3.014 13.270 -3.505 1.00 0.39 H new ATOM 0 HB3 PRO A 54 -3.028 11.591 -4.006 1.00 0.39 H new ATOM 0 HG2 PRO A 54 -3.886 13.466 -5.682 1.00 0.52 H new ATOM 0 HG3 PRO A 54 -4.731 11.933 -5.591 1.00 0.52 H new ATOM 0 HD2 PRO A 54 -5.563 14.610 -4.525 1.00 0.52 H new ATOM 0 HD3 PRO A 54 -6.564 13.298 -5.115 1.00 0.52 H new ATOM 842 N ARG A 55 -4.287 11.486 -0.463 1.00 0.26 N ATOM 843 CA ARG A 55 -3.874 11.658 0.924 1.00 0.31 C ATOM 844 C ARG A 55 -2.585 10.891 1.189 1.00 0.24 C ATOM 845 O ARG A 55 -2.449 9.741 0.775 1.00 0.20 O ATOM 846 CB ARG A 55 -4.947 11.124 1.878 1.00 0.42 C ATOM 847 CG ARG A 55 -6.365 11.600 1.594 1.00 1.13 C ATOM 848 CD ARG A 55 -6.533 13.092 1.824 1.00 1.35 C ATOM 849 NE ARG A 55 -7.942 13.485 1.784 1.00 2.05 N ATOM 850 CZ ARG A 55 -8.377 14.736 1.652 1.00 2.41 C ATOM 851 NH1 ARG A 55 -7.526 15.725 1.413 1.00 2.30 N ATOM 852 NH2 ARG A 55 -9.677 14.991 1.713 1.00 3.34 N ATOM 0 H ARG A 55 -4.666 10.563 -0.675 1.00 0.26 H new ATOM 0 HA ARG A 55 -3.723 12.724 1.094 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -4.933 10.035 1.841 1.00 0.42 H new ATOM 0 HB3 ARG A 55 -4.681 11.412 2.895 1.00 0.42 H new ATOM 0 HG2 ARG A 55 -6.625 11.363 0.562 1.00 1.13 H new ATOM 0 HG3 ARG A 55 -7.062 11.056 2.231 1.00 1.13 H new ATOM 0 HD2 ARG A 55 -6.106 13.363 2.790 1.00 1.35 H new ATOM 0 HD3 ARG A 55 -5.979 13.643 1.064 1.00 1.35 H new ATOM 0 HE ARG A 55 -8.641 12.747 1.863 1.00 2.05 H new ATOM 0 HH11 ARG A 55 -6.528 15.530 1.329 1.00 2.30 H new ATOM 0 HH12 ARG A 55 -7.869 16.680 1.313 1.00 2.30 H new ATOM 0 HH21 ARG A 55 -10.340 14.230 1.861 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -10.014 15.948 1.612 1.00 3.34 H new ATOM 866 N VAL A 56 -1.645 11.513 1.875 1.00 0.26 N ATOM 867 CA VAL A 56 -0.444 10.811 2.296 1.00 0.24 C ATOM 868 C VAL A 56 -0.706 10.085 3.606 1.00 0.22 C ATOM 869 O VAL A 56 -0.884 10.710 4.655 1.00 0.25 O ATOM 870 CB VAL A 56 0.767 11.756 2.454 1.00 0.29 C ATOM 871 CG1 VAL A 56 1.964 11.016 3.042 1.00 1.48 C ATOM 872 CG2 VAL A 56 1.140 12.366 1.116 1.00 1.32 C ATOM 0 H VAL A 56 -1.687 12.494 2.151 1.00 0.26 H new ATOM 0 HA VAL A 56 -0.195 10.094 1.513 1.00 0.24 H new ATOM 0 HB VAL A 56 0.484 12.554 3.141 1.00 0.29 H new ATOM 0 HG11 VAL A 56 2.803 11.704 3.143 1.00 1.48 H new ATOM 0 HG12 VAL A 56 1.700 10.619 4.022 1.00 1.48 H new ATOM 0 HG13 VAL A 56 2.245 10.196 2.382 1.00 1.48 H new ATOM 0 HG21 VAL A 56 1.995 13.030 1.244 1.00 1.32 H new ATOM 0 HG22 VAL A 56 1.398 11.573 0.414 1.00 1.32 H new ATOM 0 HG23 VAL A 56 0.295 12.934 0.727 1.00 1.32 H new ATOM 882 N TYR A 57 -0.758 8.767 3.534 1.00 0.22 N ATOM 883 CA TYR A 57 -1.021 7.950 4.704 1.00 0.25 C ATOM 884 C TYR A 57 0.230 7.201 5.129 1.00 0.25 C ATOM 885 O TYR A 57 1.047 6.810 4.296 1.00 0.27 O ATOM 886 CB TYR A 57 -2.150 6.952 4.433 1.00 0.27 C ATOM 887 CG TYR A 57 -3.521 7.578 4.329 1.00 0.31 C ATOM 888 CD1 TYR A 57 -3.928 8.559 5.225 1.00 0.44 C ATOM 889 CD2 TYR A 57 -4.407 7.198 3.327 1.00 0.40 C ATOM 890 CE1 TYR A 57 -5.177 9.142 5.124 1.00 0.49 C ATOM 891 CE2 TYR A 57 -5.658 7.776 3.222 1.00 0.47 C ATOM 892 CZ TYR A 57 -6.054 8.716 4.154 1.00 0.46 C ATOM 893 OH TYR A 57 -7.282 9.325 4.017 1.00 0.54 O ATOM 0 H TYR A 57 -0.621 8.238 2.673 1.00 0.22 H new ATOM 0 HA TYR A 57 -1.328 8.617 5.510 1.00 0.25 H new ATOM 0 HB2 TYR A 57 -1.935 6.421 3.506 1.00 0.27 H new ATOM 0 HB3 TYR A 57 -2.162 6.209 5.231 1.00 0.27 H new ATOM 0 HD1 TYR A 57 -3.258 8.871 6.013 1.00 0.44 H new ATOM 0 HD2 TYR A 57 -4.112 6.438 2.618 1.00 0.40 H new ATOM 0 HE1 TYR A 57 -5.464 9.930 5.805 1.00 0.49 H new ATOM 0 HE2 TYR A 57 -6.321 7.495 2.417 1.00 0.47 H new ATOM 0 HH TYR A 57 -7.777 8.903 3.284 1.00 0.54 H new ATOM 903 N ARG A 58 0.373 7.005 6.428 1.00 0.27 N ATOM 904 CA ARG A 58 1.469 6.220 6.958 1.00 0.31 C ATOM 905 C ARG A 58 0.991 4.792 7.166 1.00 0.27 C ATOM 906 O ARG A 58 0.038 4.548 7.910 1.00 0.31 O ATOM 907 CB ARG A 58 1.983 6.833 8.271 1.00 0.42 C ATOM 908 CG ARG A 58 3.189 6.126 8.884 1.00 0.55 C ATOM 909 CD ARG A 58 2.780 4.944 9.754 1.00 1.11 C ATOM 910 NE ARG A 58 1.835 5.338 10.800 1.00 1.70 N ATOM 911 CZ ARG A 58 1.752 4.761 11.997 1.00 2.56 C ATOM 912 NH1 ARG A 58 2.569 3.770 12.330 1.00 3.09 N ATOM 913 NH2 ARG A 58 0.852 5.194 12.871 1.00 3.26 N ATOM 0 H ARG A 58 -0.259 7.381 7.135 1.00 0.27 H new ATOM 0 HA ARG A 58 2.300 6.219 6.253 1.00 0.31 H new ATOM 0 HB2 ARG A 58 2.245 7.875 8.090 1.00 0.42 H new ATOM 0 HB3 ARG A 58 1.171 6.830 8.998 1.00 0.42 H new ATOM 0 HG2 ARG A 58 3.848 5.779 8.088 1.00 0.55 H new ATOM 0 HG3 ARG A 58 3.759 6.836 9.483 1.00 0.55 H new ATOM 0 HD2 ARG A 58 2.330 4.172 9.130 1.00 1.11 H new ATOM 0 HD3 ARG A 58 3.667 4.506 10.212 1.00 1.11 H new ATOM 0 HE ARG A 58 1.196 6.107 10.598 1.00 1.70 H new ATOM 0 HH11 ARG A 58 3.270 3.442 11.666 1.00 3.09 H new ATOM 0 HH12 ARG A 58 2.496 3.336 13.250 1.00 3.09 H new ATOM 0 HH21 ARG A 58 0.230 5.964 12.624 1.00 3.26 H new ATOM 0 HH22 ARG A 58 0.782 4.757 13.790 1.00 3.26 H new ATOM 927 N VAL A 59 1.638 3.861 6.490 1.00 0.25 N ATOM 928 CA VAL A 59 1.268 2.464 6.576 1.00 0.25 C ATOM 929 C VAL A 59 1.908 1.824 7.789 1.00 0.25 C ATOM 930 O VAL A 59 3.141 1.785 7.903 1.00 0.26 O ATOM 931 CB VAL A 59 1.702 1.666 5.333 1.00 0.31 C ATOM 932 CG1 VAL A 59 1.078 0.285 5.352 1.00 0.45 C ATOM 933 CG2 VAL A 59 1.335 2.386 4.055 1.00 0.36 C ATOM 0 H VAL A 59 2.427 4.051 5.872 1.00 0.25 H new ATOM 0 HA VAL A 59 0.181 2.437 6.650 1.00 0.25 H new ATOM 0 HB VAL A 59 2.787 1.569 5.362 1.00 0.31 H new ATOM 0 HG11 VAL A 59 1.393 -0.269 4.468 1.00 0.45 H new ATOM 0 HG12 VAL A 59 1.400 -0.247 6.247 1.00 0.45 H new ATOM 0 HG13 VAL A 59 -0.008 0.377 5.355 1.00 0.45 H new ATOM 0 HG21 VAL A 59 1.657 1.794 3.198 1.00 0.36 H new ATOM 0 HG22 VAL A 59 0.255 2.527 4.014 1.00 0.36 H new ATOM 0 HG23 VAL A 59 1.829 3.357 4.030 1.00 0.36 H new ATOM 943 N ASN A 60 1.066 1.342 8.695 1.00 0.28 N ATOM 944 CA ASN A 60 1.533 0.563 9.829 1.00 0.32 C ATOM 945 C ASN A 60 1.589 -0.904 9.426 1.00 0.32 C ATOM 946 O ASN A 60 2.071 -1.756 10.168 1.00 0.37 O ATOM 947 CB ASN A 60 0.619 0.752 11.048 1.00 0.41 C ATOM 948 CG ASN A 60 1.205 0.143 12.315 1.00 1.12 C ATOM 949 OD1 ASN A 60 2.424 0.088 12.491 1.00 1.92 O ATOM 950 ND2 ASN A 60 0.344 -0.317 13.210 1.00 1.68 N ATOM 0 H ASN A 60 0.056 1.479 8.664 1.00 0.28 H new ATOM 0 HA ASN A 60 2.528 0.907 10.113 1.00 0.32 H new ATOM 0 HB2 ASN A 60 0.446 1.816 11.207 1.00 0.41 H new ATOM 0 HB3 ASN A 60 -0.351 0.298 10.845 1.00 0.41 H new ATOM 0 HD21 ASN A 60 0.683 -0.733 14.077 1.00 1.68 H new ATOM 0 HD22 ASN A 60 -0.658 -0.255 13.032 1.00 1.68 H new ATOM 957 N GLY A 61 1.062 -1.202 8.245 1.00 0.40 N ATOM 958 CA GLY A 61 1.269 -2.509 7.667 1.00 0.47 C ATOM 959 C GLY A 61 0.070 -3.017 6.900 1.00 0.43 C ATOM 960 O GLY A 61 -0.613 -2.248 6.225 1.00 0.43 O ATOM 0 H GLY A 61 0.499 -0.564 7.683 1.00 0.40 H new ATOM 0 HA2 GLY A 61 2.130 -2.472 7.000 1.00 0.47 H new ATOM 0 HA3 GLY A 61 1.511 -3.216 8.461 1.00 0.47 H new ATOM 964 N LEU A 62 -0.195 -4.309 7.009 1.00 0.41 N ATOM 965 CA LEU A 62 -1.262 -4.944 6.255 1.00 0.38 C ATOM 966 C LEU A 62 -2.180 -5.721 7.186 1.00 0.38 C ATOM 967 O LEU A 62 -1.781 -6.103 8.288 1.00 0.42 O ATOM 968 CB LEU A 62 -0.677 -5.902 5.214 1.00 0.39 C ATOM 969 CG LEU A 62 0.135 -5.242 4.101 1.00 0.45 C ATOM 970 CD1 LEU A 62 0.758 -6.287 3.201 1.00 0.43 C ATOM 971 CD2 LEU A 62 -0.742 -4.316 3.288 1.00 0.55 C ATOM 0 H LEU A 62 0.321 -4.943 7.619 1.00 0.41 H new ATOM 0 HA LEU A 62 -1.834 -4.164 5.752 1.00 0.38 H new ATOM 0 HB2 LEU A 62 -0.041 -6.624 5.726 1.00 0.39 H new ATOM 0 HB3 LEU A 62 -1.494 -6.463 4.761 1.00 0.39 H new ATOM 0 HG LEU A 62 0.933 -4.660 4.562 1.00 0.45 H new ATOM 0 HD11 LEU A 62 1.332 -5.795 2.415 1.00 0.43 H new ATOM 0 HD12 LEU A 62 1.419 -6.925 3.788 1.00 0.43 H new ATOM 0 HD13 LEU A 62 -0.027 -6.894 2.751 1.00 0.43 H new ATOM 0 HD21 LEU A 62 -0.149 -3.853 2.499 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -1.558 -4.885 2.843 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -1.152 -3.541 3.936 1.00 0.55 H new ATOM 983 N SER A 63 -3.413 -5.912 6.757 1.00 0.36 N ATOM 984 CA SER A 63 -4.335 -6.782 7.455 1.00 0.40 C ATOM 985 C SER A 63 -4.290 -8.164 6.823 1.00 0.46 C ATOM 986 O SER A 63 -4.492 -8.315 5.618 1.00 0.62 O ATOM 987 CB SER A 63 -5.748 -6.209 7.413 1.00 0.44 C ATOM 988 OG SER A 63 -5.782 -4.918 8.000 1.00 1.45 O ATOM 0 H SER A 63 -3.800 -5.472 5.922 1.00 0.36 H new ATOM 0 HA SER A 63 -4.041 -6.859 8.502 1.00 0.40 H new ATOM 0 HB2 SER A 63 -6.093 -6.154 6.381 1.00 0.44 H new ATOM 0 HB3 SER A 63 -6.431 -6.873 7.942 1.00 0.44 H new ATOM 0 HG SER A 63 -6.713 -4.632 8.108 1.00 1.45 H new ATOM 994 N ARG A 64 -4.011 -9.154 7.649 1.00 0.73 N ATOM 995 CA ARG A 64 -3.764 -10.518 7.198 1.00 0.94 C ATOM 996 C ARG A 64 -4.986 -11.172 6.550 1.00 0.65 C ATOM 997 O ARG A 64 -4.889 -12.263 5.986 1.00 0.72 O ATOM 998 CB ARG A 64 -3.215 -11.329 8.368 1.00 1.40 C ATOM 999 CG ARG A 64 -1.909 -10.737 8.869 1.00 2.25 C ATOM 1000 CD ARG A 64 -1.327 -11.466 10.063 1.00 2.62 C ATOM 1001 NE ARG A 64 -0.051 -10.867 10.450 1.00 3.28 N ATOM 1002 CZ ARG A 64 0.560 -11.045 11.621 1.00 3.81 C ATOM 1003 NH1 ARG A 64 0.021 -11.819 12.557 1.00 3.76 N ATOM 1004 NH2 ARG A 64 1.712 -10.430 11.854 1.00 4.70 N ATOM 0 H ARG A 64 -3.948 -9.038 8.660 1.00 0.73 H new ATOM 0 HA ARG A 64 -3.021 -10.490 6.401 1.00 0.94 H new ATOM 0 HB2 ARG A 64 -3.945 -11.348 9.177 1.00 1.40 H new ATOM 0 HB3 ARG A 64 -3.056 -12.362 8.058 1.00 1.40 H new ATOM 0 HG2 ARG A 64 -1.181 -10.748 8.058 1.00 2.25 H new ATOM 0 HG3 ARG A 64 -2.073 -9.693 9.137 1.00 2.25 H new ATOM 0 HD2 ARG A 64 -2.025 -11.424 10.899 1.00 2.62 H new ATOM 0 HD3 ARG A 64 -1.184 -12.519 9.820 1.00 2.62 H new ATOM 0 HE ARG A 64 0.409 -10.264 9.768 1.00 3.28 H new ATOM 0 HH11 ARG A 64 -0.870 -12.285 12.383 1.00 3.76 H new ATOM 0 HH12 ARG A 64 0.498 -11.948 13.449 1.00 3.76 H new ATOM 0 HH21 ARG A 64 2.122 -9.828 11.140 1.00 4.70 H new ATOM 0 HH22 ARG A 64 2.188 -10.559 12.747 1.00 4.70 H new ATOM 1018 N ALA A 65 -6.136 -10.523 6.643 1.00 0.45 N ATOM 1019 CA ALA A 65 -7.311 -10.961 5.907 1.00 0.32 C ATOM 1020 C ALA A 65 -7.461 -10.143 4.621 1.00 0.30 C ATOM 1021 O ALA A 65 -7.452 -8.911 4.655 1.00 0.33 O ATOM 1022 CB ALA A 65 -8.551 -10.841 6.770 1.00 0.47 C ATOM 0 H ALA A 65 -6.281 -9.694 7.219 1.00 0.45 H new ATOM 0 HA ALA A 65 -7.187 -12.010 5.636 1.00 0.32 H new ATOM 0 HB1 ALA A 65 -9.422 -11.173 6.204 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -8.437 -11.462 7.659 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -8.687 -9.802 7.069 1.00 0.47 H new ATOM 1028 N PRO A 66 -7.576 -10.827 3.468 1.00 0.27 N ATOM 1029 CA PRO A 66 -7.712 -10.178 2.151 1.00 0.29 C ATOM 1030 C PRO A 66 -8.969 -9.312 2.042 1.00 0.27 C ATOM 1031 O PRO A 66 -10.012 -9.629 2.617 1.00 0.26 O ATOM 1032 CB PRO A 66 -7.797 -11.357 1.174 1.00 0.32 C ATOM 1033 CG PRO A 66 -7.207 -12.512 1.909 1.00 0.30 C ATOM 1034 CD PRO A 66 -7.559 -12.294 3.352 1.00 0.27 C ATOM 0 HA PRO A 66 -6.883 -9.498 1.956 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -8.829 -11.558 0.887 1.00 0.32 H new ATOM 0 HB3 PRO A 66 -7.246 -11.150 0.257 1.00 0.32 H new ATOM 0 HG2 PRO A 66 -7.612 -13.456 1.545 1.00 0.30 H new ATOM 0 HG3 PRO A 66 -6.127 -12.554 1.771 1.00 0.30 H new ATOM 0 HD2 PRO A 66 -8.526 -12.730 3.602 1.00 0.27 H new ATOM 0 HD3 PRO A 66 -6.824 -12.744 4.020 1.00 0.27 H new ATOM 1042 N ALA A 67 -8.853 -8.233 1.269 1.00 0.29 N ATOM 1043 CA ALA A 67 -9.910 -7.226 1.141 1.00 0.28 C ATOM 1044 C ALA A 67 -11.173 -7.786 0.496 1.00 0.26 C ATOM 1045 O ALA A 67 -12.258 -7.226 0.652 1.00 0.27 O ATOM 1046 CB ALA A 67 -9.397 -6.036 0.345 1.00 0.35 C ATOM 0 H ALA A 67 -8.023 -8.031 0.712 1.00 0.29 H new ATOM 0 HA ALA A 67 -10.180 -6.907 2.148 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -10.188 -5.291 0.254 1.00 0.35 H new ATOM 0 HB2 ALA A 67 -8.542 -5.596 0.858 1.00 0.35 H new ATOM 0 HB3 ALA A 67 -9.093 -6.366 -0.648 1.00 0.35 H new ATOM 1052 N SER A 68 -11.029 -8.881 -0.236 1.00 0.30 N ATOM 1053 CA SER A 68 -12.169 -9.522 -0.876 1.00 0.35 C ATOM 1054 C SER A 68 -13.042 -10.226 0.164 1.00 0.31 C ATOM 1055 O SER A 68 -14.240 -10.413 -0.038 1.00 0.40 O ATOM 1056 CB SER A 68 -11.692 -10.520 -1.933 1.00 0.48 C ATOM 1057 OG SER A 68 -12.776 -11.023 -2.693 1.00 1.42 O ATOM 0 H SER A 68 -10.135 -9.344 -0.402 1.00 0.30 H new ATOM 0 HA SER A 68 -12.768 -8.754 -1.366 1.00 0.35 H new ATOM 0 HB2 SER A 68 -10.974 -10.036 -2.595 1.00 0.48 H new ATOM 0 HB3 SER A 68 -11.171 -11.346 -1.448 1.00 0.48 H new ATOM 0 HG SER A 68 -12.571 -10.942 -3.648 1.00 1.42 H new ATOM 1063 N SER A 69 -12.436 -10.588 1.285 1.00 0.28 N ATOM 1064 CA SER A 69 -13.123 -11.351 2.315 1.00 0.37 C ATOM 1065 C SER A 69 -13.315 -10.532 3.593 1.00 0.33 C ATOM 1066 O SER A 69 -14.015 -10.958 4.510 1.00 0.42 O ATOM 1067 CB SER A 69 -12.329 -12.628 2.602 1.00 0.50 C ATOM 1068 OG SER A 69 -10.932 -12.365 2.623 1.00 1.46 O ATOM 0 H SER A 69 -11.465 -10.364 1.505 1.00 0.28 H new ATOM 0 HA SER A 69 -14.118 -11.611 1.953 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.639 -13.045 3.560 1.00 0.50 H new ATOM 0 HB3 SER A 69 -12.550 -13.377 1.842 1.00 0.50 H new ATOM 0 HG SER A 69 -10.781 -11.409 2.777 1.00 1.46 H new ATOM 1074 N GLU A 70 -12.697 -9.359 3.652 1.00 0.28 N ATOM 1075 CA GLU A 70 -12.782 -8.518 4.838 1.00 0.35 C ATOM 1076 C GLU A 70 -14.057 -7.693 4.853 1.00 0.37 C ATOM 1077 O GLU A 70 -14.423 -7.072 3.854 1.00 0.37 O ATOM 1078 CB GLU A 70 -11.571 -7.596 4.937 1.00 0.42 C ATOM 1079 CG GLU A 70 -10.481 -8.129 5.845 1.00 0.78 C ATOM 1080 CD GLU A 70 -10.938 -8.264 7.283 1.00 0.58 C ATOM 1081 OE1 GLU A 70 -11.498 -9.324 7.640 1.00 1.03 O ATOM 1082 OE2 GLU A 70 -10.737 -7.313 8.064 1.00 1.26 O ATOM 0 H GLU A 70 -12.134 -8.970 2.896 1.00 0.28 H new ATOM 0 HA GLU A 70 -12.797 -9.184 5.701 1.00 0.35 H new ATOM 0 HB2 GLU A 70 -11.159 -7.441 3.940 1.00 0.42 H new ATOM 0 HB3 GLU A 70 -11.894 -6.622 5.303 1.00 0.42 H new ATOM 0 HG2 GLU A 70 -10.151 -9.101 5.479 1.00 0.78 H new ATOM 0 HG3 GLU A 70 -9.619 -7.463 5.802 1.00 0.78 H new ATOM 1089 N THR A 71 -14.726 -7.695 5.995 1.00 0.44 N ATOM 1090 CA THR A 71 -15.915 -6.895 6.187 1.00 0.48 C ATOM 1091 C THR A 71 -15.607 -5.718 7.106 1.00 0.58 C ATOM 1092 O THR A 71 -14.775 -5.822 8.015 1.00 0.85 O ATOM 1093 CB THR A 71 -17.057 -7.732 6.788 1.00 0.61 C ATOM 1094 OG1 THR A 71 -16.614 -8.356 8.000 1.00 0.76 O ATOM 1095 CG2 THR A 71 -17.529 -8.794 5.804 1.00 0.62 C ATOM 0 H THR A 71 -14.458 -8.250 6.808 1.00 0.44 H new ATOM 0 HA THR A 71 -16.234 -6.526 5.212 1.00 0.48 H new ATOM 0 HB THR A 71 -17.894 -7.068 7.004 1.00 0.61 H new ATOM 0 HG1 THR A 71 -17.345 -8.887 8.381 1.00 0.76 H new ATOM 0 HG21 THR A 71 -18.337 -9.372 6.253 1.00 0.62 H new ATOM 0 HG22 THR A 71 -17.889 -8.313 4.894 1.00 0.62 H new ATOM 0 HG23 THR A 71 -16.700 -9.458 5.560 1.00 0.62 H new ATOM 1103 N PHE A 72 -16.281 -4.609 6.875 1.00 0.51 N ATOM 1104 CA PHE A 72 -16.115 -3.420 7.693 1.00 0.59 C ATOM 1105 C PHE A 72 -17.414 -2.641 7.662 1.00 0.68 C ATOM 1106 O PHE A 72 -18.216 -2.825 6.743 1.00 0.64 O ATOM 1107 CB PHE A 72 -14.938 -2.562 7.206 1.00 0.58 C ATOM 1108 CG PHE A 72 -15.161 -1.871 5.890 1.00 0.54 C ATOM 1109 CD1 PHE A 72 -15.071 -2.580 4.705 1.00 0.43 C ATOM 1110 CD2 PHE A 72 -15.470 -0.523 5.838 1.00 0.68 C ATOM 1111 CE1 PHE A 72 -15.288 -1.959 3.492 1.00 0.43 C ATOM 1112 CE2 PHE A 72 -15.684 0.104 4.627 1.00 0.67 C ATOM 1113 CZ PHE A 72 -15.549 -0.574 3.468 1.00 0.52 C ATOM 0 H PHE A 72 -16.957 -4.505 6.118 1.00 0.51 H new ATOM 0 HA PHE A 72 -15.881 -3.709 8.718 1.00 0.59 H new ATOM 0 HB2 PHE A 72 -14.719 -1.809 7.963 1.00 0.58 H new ATOM 0 HB3 PHE A 72 -14.055 -3.196 7.122 1.00 0.58 H new ATOM 0 HD1 PHE A 72 -14.828 -3.632 4.730 1.00 0.43 H new ATOM 0 HD2 PHE A 72 -15.544 0.044 6.754 1.00 0.68 H new ATOM 0 HE1 PHE A 72 -15.258 -2.526 2.574 1.00 0.43 H new ATOM 0 HE2 PHE A 72 -15.962 1.147 4.607 1.00 0.67 H new ATOM 0 HZ PHE A 72 -15.641 -0.057 2.524 1.00 0.52 H new ATOM 1123 N GLU A 73 -17.645 -1.804 8.659 1.00 0.83 N ATOM 1124 CA GLU A 73 -18.880 -1.049 8.708 1.00 0.94 C ATOM 1125 C GLU A 73 -18.741 0.259 7.944 1.00 0.99 C ATOM 1126 O GLU A 73 -17.940 1.124 8.297 1.00 1.09 O ATOM 1127 CB GLU A 73 -19.325 -0.772 10.145 1.00 1.14 C ATOM 1128 CG GLU A 73 -20.743 -0.223 10.221 1.00 1.27 C ATOM 1129 CD GLU A 73 -21.198 0.075 11.632 1.00 1.68 C ATOM 1130 OE1 GLU A 73 -21.530 -0.879 12.367 1.00 1.96 O ATOM 1131 OE2 GLU A 73 -21.210 1.262 12.020 1.00 2.03 O ATOM 0 H GLU A 73 -17.003 -1.633 9.433 1.00 0.83 H new ATOM 0 HA GLU A 73 -19.648 -1.660 8.234 1.00 0.94 H new ATOM 0 HB2 GLU A 73 -19.264 -1.693 10.725 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -18.638 -0.061 10.604 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -20.804 0.689 9.628 1.00 1.27 H new ATOM 0 HG3 GLU A 73 -21.427 -0.942 9.771 1.00 1.27 H new ATOM 1138 N HIS A 74 -19.525 0.376 6.894 1.00 0.97 N ATOM 1139 CA HIS A 74 -19.596 1.579 6.095 1.00 1.06 C ATOM 1140 C HIS A 74 -21.056 1.948 5.918 1.00 1.17 C ATOM 1141 O HIS A 74 -21.841 1.147 5.417 1.00 1.05 O ATOM 1142 CB HIS A 74 -18.928 1.369 4.733 1.00 1.04 C ATOM 1143 CG HIS A 74 -19.032 2.557 3.822 1.00 1.19 C ATOM 1144 ND1 HIS A 74 -19.572 2.452 2.564 1.00 1.99 N ATOM 1145 CD2 HIS A 74 -18.669 3.843 4.039 1.00 1.14 C ATOM 1146 CE1 HIS A 74 -19.528 3.666 2.050 1.00 1.92 C ATOM 1147 NE2 HIS A 74 -18.991 4.548 2.907 1.00 1.28 N ATOM 0 H HIS A 74 -20.138 -0.371 6.568 1.00 0.97 H new ATOM 0 HA HIS A 74 -19.065 2.386 6.599 1.00 1.06 H new ATOM 0 HB2 HIS A 74 -17.875 1.131 4.887 1.00 1.04 H new ATOM 0 HB3 HIS A 74 -19.382 0.507 4.245 1.00 1.04 H new ATOM 0 HD2 HIS A 74 -18.212 4.239 4.934 1.00 1.14 H new ATOM 0 HE1 HIS A 74 -19.881 3.919 1.061 1.00 1.92 H new ATOM 0 HE2 HIS A 74 -18.850 5.546 2.748 1.00 1.28 H new ATOM 1155 N ASP A 75 -21.421 3.136 6.384 1.00 1.43 N ATOM 1156 CA ASP A 75 -22.797 3.627 6.280 1.00 1.59 C ATOM 1157 C ASP A 75 -23.737 2.764 7.124 1.00 1.49 C ATOM 1158 O ASP A 75 -24.930 2.647 6.840 1.00 1.50 O ATOM 1159 CB ASP A 75 -23.249 3.633 4.814 1.00 1.65 C ATOM 1160 CG ASP A 75 -24.468 4.496 4.578 1.00 2.03 C ATOM 1161 OD1 ASP A 75 -24.500 5.637 5.083 1.00 2.27 O ATOM 1162 OD2 ASP A 75 -25.403 4.040 3.883 1.00 2.67 O ATOM 0 H ASP A 75 -20.780 3.785 6.842 1.00 1.43 H new ATOM 0 HA ASP A 75 -22.832 4.648 6.660 1.00 1.59 H new ATOM 0 HB2 ASP A 75 -22.431 3.990 4.188 1.00 1.65 H new ATOM 0 HB3 ASP A 75 -23.467 2.612 4.502 1.00 1.65 H new ATOM 1167 N GLY A 76 -23.184 2.160 8.167 1.00 1.43 N ATOM 1168 CA GLY A 76 -23.960 1.282 9.020 1.00 1.41 C ATOM 1169 C GLY A 76 -24.077 -0.121 8.456 1.00 1.19 C ATOM 1170 O GLY A 76 -24.736 -0.980 9.041 1.00 1.18 O ATOM 0 H GLY A 76 -22.206 2.263 8.439 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -23.497 1.236 10.006 1.00 1.41 H new ATOM 0 HA3 GLY A 76 -24.957 1.700 9.155 1.00 1.41 H new ATOM 1174 N LYS A 77 -23.434 -0.355 7.323 1.00 1.06 N ATOM 1175 CA LYS A 77 -23.494 -1.646 6.656 1.00 0.89 C ATOM 1176 C LYS A 77 -22.155 -2.360 6.768 1.00 0.77 C ATOM 1177 O LYS A 77 -21.109 -1.722 6.724 1.00 0.74 O ATOM 1178 CB LYS A 77 -23.811 -1.457 5.170 1.00 0.87 C ATOM 1179 CG LYS A 77 -24.986 -0.534 4.879 1.00 1.06 C ATOM 1180 CD LYS A 77 -26.280 -1.078 5.461 1.00 1.13 C ATOM 1181 CE LYS A 77 -27.484 -0.297 4.964 1.00 1.40 C ATOM 1182 NZ LYS A 77 -28.766 -0.947 5.344 1.00 2.19 N ATOM 0 H LYS A 77 -22.860 0.338 6.843 1.00 1.06 H new ATOM 0 HA LYS A 77 -24.274 -2.238 7.135 1.00 0.89 H new ATOM 0 HB2 LYS A 77 -22.925 -1.063 4.672 1.00 0.87 H new ATOM 0 HB3 LYS A 77 -24.016 -2.433 4.730 1.00 0.87 H new ATOM 0 HG2 LYS A 77 -24.786 0.453 5.295 1.00 1.06 H new ATOM 0 HG3 LYS A 77 -25.094 -0.410 3.801 1.00 1.06 H new ATOM 0 HD2 LYS A 77 -26.389 -2.128 5.190 1.00 1.13 H new ATOM 0 HD3 LYS A 77 -26.239 -1.032 6.549 1.00 1.13 H new ATOM 0 HE2 LYS A 77 -27.455 0.713 5.373 1.00 1.40 H new ATOM 0 HE3 LYS A 77 -27.433 -0.203 3.879 1.00 1.40 H new ATOM 0 HZ1 LYS A 77 -29.562 -0.381 4.985 1.00 2.19 H new ATOM 0 HZ2 LYS A 77 -28.806 -1.901 4.933 1.00 2.19 H new ATOM 0 HZ3 LYS A 77 -28.828 -1.013 6.380 1.00 2.19 H new ATOM 1196 N LYS A 78 -22.178 -3.674 6.913 1.00 0.76 N ATOM 1197 CA LYS A 78 -20.953 -4.452 6.807 1.00 0.71 C ATOM 1198 C LYS A 78 -20.782 -4.916 5.375 1.00 0.61 C ATOM 1199 O LYS A 78 -21.544 -5.752 4.883 1.00 0.70 O ATOM 1200 CB LYS A 78 -20.945 -5.660 7.745 1.00 0.88 C ATOM 1201 CG LYS A 78 -20.803 -5.301 9.214 1.00 1.05 C ATOM 1202 CD LYS A 78 -21.123 -6.485 10.120 1.00 1.31 C ATOM 1203 CE LYS A 78 -20.290 -7.720 9.787 1.00 1.47 C ATOM 1204 NZ LYS A 78 -18.895 -7.636 10.303 1.00 1.55 N ATOM 0 H LYS A 78 -23.019 -4.220 7.102 1.00 0.76 H new ATOM 0 HA LYS A 78 -20.124 -3.809 7.104 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -21.869 -6.221 7.606 1.00 0.88 H new ATOM 0 HB3 LYS A 78 -20.126 -6.321 7.462 1.00 0.88 H new ATOM 0 HG2 LYS A 78 -19.786 -4.959 9.408 1.00 1.05 H new ATOM 0 HG3 LYS A 78 -21.469 -4.471 9.451 1.00 1.05 H new ATOM 0 HD2 LYS A 78 -20.947 -6.202 11.158 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -22.181 -6.730 10.031 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -20.774 -8.602 10.206 1.00 1.47 H new ATOM 0 HE3 LYS A 78 -20.264 -7.854 8.706 1.00 1.47 H new ATOM 0 HZ1 LYS A 78 -18.378 -8.501 10.047 1.00 1.55 H new ATOM 0 HZ2 LYS A 78 -18.419 -6.811 9.884 1.00 1.55 H new ATOM 0 HZ3 LYS A 78 -18.913 -7.537 11.338 1.00 1.55 H new ATOM 1218 N VAL A 79 -19.789 -4.372 4.708 1.00 0.51 N ATOM 1219 CA VAL A 79 -19.542 -4.692 3.317 1.00 0.42 C ATOM 1220 C VAL A 79 -18.142 -5.257 3.188 1.00 0.37 C ATOM 1221 O VAL A 79 -17.354 -5.182 4.132 1.00 0.38 O ATOM 1222 CB VAL A 79 -19.668 -3.445 2.407 1.00 0.35 C ATOM 1223 CG1 VAL A 79 -21.071 -2.866 2.460 1.00 0.41 C ATOM 1224 CG2 VAL A 79 -18.648 -2.388 2.794 1.00 0.34 C ATOM 0 H VAL A 79 -19.134 -3.701 5.109 1.00 0.51 H new ATOM 0 HA VAL A 79 -20.289 -5.418 2.997 1.00 0.42 H new ATOM 0 HB VAL A 79 -19.469 -3.762 1.383 1.00 0.35 H new ATOM 0 HG11 VAL A 79 -21.129 -1.992 1.811 1.00 0.41 H new ATOM 0 HG12 VAL A 79 -21.787 -3.616 2.123 1.00 0.41 H new ATOM 0 HG13 VAL A 79 -21.306 -2.574 3.484 1.00 0.41 H new ATOM 0 HG21 VAL A 79 -18.756 -1.522 2.141 1.00 0.34 H new ATOM 0 HG22 VAL A 79 -18.812 -2.085 3.828 1.00 0.34 H new ATOM 0 HG23 VAL A 79 -17.643 -2.797 2.691 1.00 0.34 H new ATOM 1234 N THR A 80 -17.831 -5.819 2.036 1.00 0.34 N ATOM 1235 CA THR A 80 -16.483 -6.269 1.766 1.00 0.30 C ATOM 1236 C THR A 80 -15.769 -5.175 0.995 1.00 0.23 C ATOM 1237 O THR A 80 -16.389 -4.507 0.172 1.00 0.21 O ATOM 1238 CB THR A 80 -16.479 -7.576 0.946 1.00 0.34 C ATOM 1239 OG1 THR A 80 -17.328 -7.432 -0.203 1.00 0.67 O ATOM 1240 CG2 THR A 80 -16.951 -8.751 1.792 1.00 0.65 C ATOM 0 H THR A 80 -18.493 -5.974 1.275 1.00 0.34 H new ATOM 0 HA THR A 80 -15.976 -6.474 2.709 1.00 0.30 H new ATOM 0 HB THR A 80 -15.457 -7.775 0.622 1.00 0.34 H new ATOM 0 HG1 THR A 80 -17.321 -8.264 -0.721 1.00 0.67 H new ATOM 0 HG21 THR A 80 -16.939 -9.660 1.191 1.00 0.65 H new ATOM 0 HG22 THR A 80 -16.287 -8.873 2.648 1.00 0.65 H new ATOM 0 HG23 THR A 80 -17.965 -8.562 2.144 1.00 0.65 H new ATOM 1248 N ILE A 81 -14.485 -4.981 1.256 1.00 0.24 N ATOM 1249 CA ILE A 81 -13.734 -3.902 0.620 1.00 0.23 C ATOM 1250 C ILE A 81 -13.745 -4.053 -0.903 1.00 0.20 C ATOM 1251 O ILE A 81 -13.720 -3.063 -1.638 1.00 0.22 O ATOM 1252 CB ILE A 81 -12.283 -3.844 1.153 1.00 0.28 C ATOM 1253 CG1 ILE A 81 -12.294 -3.570 2.658 1.00 0.37 C ATOM 1254 CG2 ILE A 81 -11.475 -2.775 0.434 1.00 0.32 C ATOM 1255 CD1 ILE A 81 -10.946 -3.733 3.320 1.00 0.71 C ATOM 0 H ILE A 81 -13.940 -5.553 1.901 1.00 0.24 H new ATOM 0 HA ILE A 81 -14.224 -2.962 0.873 1.00 0.23 H new ATOM 0 HB ILE A 81 -11.811 -4.808 0.963 1.00 0.28 H new ATOM 0 HG12 ILE A 81 -12.652 -2.555 2.830 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -13.006 -4.244 3.135 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -10.460 -2.758 0.830 1.00 0.32 H new ATOM 0 HG22 ILE A 81 -11.445 -2.998 -0.633 1.00 0.32 H new ATOM 0 HG23 ILE A 81 -11.941 -1.802 0.588 1.00 0.32 H new ATOM 0 HD11 ILE A 81 -11.036 -3.522 4.386 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.594 -4.755 3.181 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -10.234 -3.040 2.872 1.00 0.71 H new ATOM 1267 N ALA A 82 -13.825 -5.296 -1.370 1.00 0.17 N ATOM 1268 CA ALA A 82 -13.897 -5.571 -2.800 1.00 0.17 C ATOM 1269 C ALA A 82 -15.182 -5.011 -3.411 1.00 0.18 C ATOM 1270 O ALA A 82 -15.143 -4.295 -4.411 1.00 0.21 O ATOM 1271 CB ALA A 82 -13.798 -7.068 -3.054 1.00 0.17 C ATOM 0 H ALA A 82 -13.842 -6.127 -0.779 1.00 0.17 H new ATOM 0 HA ALA A 82 -13.055 -5.073 -3.281 1.00 0.17 H new ATOM 0 HB1 ALA A 82 -13.853 -7.260 -4.126 1.00 0.17 H new ATOM 0 HB2 ALA A 82 -12.850 -7.441 -2.667 1.00 0.17 H new ATOM 0 HB3 ALA A 82 -14.620 -7.577 -2.552 1.00 0.17 H new ATOM 1277 N SER A 83 -16.318 -5.323 -2.795 1.00 0.18 N ATOM 1278 CA SER A 83 -17.611 -4.866 -3.294 1.00 0.20 C ATOM 1279 C SER A 83 -17.799 -3.378 -3.002 1.00 0.21 C ATOM 1280 O SER A 83 -18.470 -2.661 -3.747 1.00 0.25 O ATOM 1281 CB SER A 83 -18.739 -5.681 -2.653 1.00 0.23 C ATOM 1282 OG SER A 83 -19.998 -5.367 -3.227 1.00 1.11 O ATOM 0 H SER A 83 -16.370 -5.891 -1.949 1.00 0.18 H new ATOM 0 HA SER A 83 -17.641 -5.012 -4.374 1.00 0.20 H new ATOM 0 HB2 SER A 83 -18.537 -6.745 -2.777 1.00 0.23 H new ATOM 0 HB3 SER A 83 -18.767 -5.485 -1.581 1.00 0.23 H new ATOM 0 HG SER A 83 -20.696 -5.904 -2.798 1.00 1.11 H new ATOM 1288 N TYR A 84 -17.190 -2.928 -1.916 1.00 0.21 N ATOM 1289 CA TYR A 84 -17.253 -1.538 -1.499 1.00 0.24 C ATOM 1290 C TYR A 84 -16.640 -0.621 -2.552 1.00 0.25 C ATOM 1291 O TYR A 84 -17.261 0.360 -2.958 1.00 0.30 O ATOM 1292 CB TYR A 84 -16.551 -1.398 -0.142 1.00 0.25 C ATOM 1293 CG TYR A 84 -15.907 -0.058 0.123 1.00 0.28 C ATOM 1294 CD1 TYR A 84 -16.694 1.068 0.303 1.00 0.31 C ATOM 1295 CD2 TYR A 84 -14.528 0.087 0.181 1.00 0.31 C ATOM 1296 CE1 TYR A 84 -16.133 2.303 0.534 1.00 0.38 C ATOM 1297 CE2 TYR A 84 -13.952 1.320 0.415 1.00 0.37 C ATOM 1298 CZ TYR A 84 -14.686 2.384 0.632 1.00 0.39 C ATOM 1299 OH TYR A 84 -14.191 3.663 0.825 1.00 0.49 O ATOM 0 H TYR A 84 -16.636 -3.520 -1.297 1.00 0.21 H new ATOM 0 HA TYR A 84 -18.294 -1.233 -1.392 1.00 0.24 H new ATOM 0 HB2 TYR A 84 -17.279 -1.594 0.646 1.00 0.25 H new ATOM 0 HB3 TYR A 84 -15.785 -2.170 -0.067 1.00 0.25 H new ATOM 0 HD1 TYR A 84 -17.769 0.975 0.261 1.00 0.31 H new ATOM 0 HD2 TYR A 84 -13.896 -0.777 0.041 1.00 0.31 H new ATOM 0 HE1 TYR A 84 -16.749 3.184 0.639 1.00 0.38 H new ATOM 0 HE2 TYR A 84 -12.876 1.409 0.419 1.00 0.37 H new ATOM 0 HH TYR A 84 -13.213 3.630 0.881 1.00 0.49 H new ATOM 1309 N PHE A 85 -15.445 -0.957 -3.024 1.00 0.22 N ATOM 1310 CA PHE A 85 -14.813 -0.169 -4.075 1.00 0.23 C ATOM 1311 C PHE A 85 -15.579 -0.323 -5.385 1.00 0.25 C ATOM 1312 O PHE A 85 -15.715 0.632 -6.150 1.00 0.28 O ATOM 1313 CB PHE A 85 -13.340 -0.554 -4.263 1.00 0.22 C ATOM 1314 CG PHE A 85 -12.422 0.073 -3.248 1.00 0.25 C ATOM 1315 CD1 PHE A 85 -12.308 1.452 -3.167 1.00 0.48 C ATOM 1316 CD2 PHE A 85 -11.669 -0.707 -2.383 1.00 0.35 C ATOM 1317 CE1 PHE A 85 -11.466 2.041 -2.243 1.00 0.54 C ATOM 1318 CE2 PHE A 85 -10.824 -0.117 -1.456 1.00 0.39 C ATOM 1319 CZ PHE A 85 -10.725 1.254 -1.387 1.00 0.39 C ATOM 0 H PHE A 85 -14.901 -1.757 -2.702 1.00 0.22 H new ATOM 0 HA PHE A 85 -14.842 0.877 -3.770 1.00 0.23 H new ATOM 0 HB2 PHE A 85 -13.246 -1.638 -4.206 1.00 0.22 H new ATOM 0 HB3 PHE A 85 -13.020 -0.259 -5.262 1.00 0.22 H new ATOM 0 HD1 PHE A 85 -12.885 2.074 -3.835 1.00 0.48 H new ATOM 0 HD2 PHE A 85 -11.742 -1.783 -2.432 1.00 0.35 H new ATOM 0 HE1 PHE A 85 -11.388 3.117 -2.191 1.00 0.54 H new ATOM 0 HE2 PHE A 85 -10.243 -0.734 -0.787 1.00 0.39 H new ATOM 0 HZ PHE A 85 -10.068 1.713 -0.663 1.00 0.39 H new ATOM 1329 N HIS A 86 -16.114 -1.517 -5.614 1.00 0.24 N ATOM 1330 CA HIS A 86 -16.861 -1.804 -6.833 1.00 0.29 C ATOM 1331 C HIS A 86 -18.139 -0.961 -6.901 1.00 0.31 C ATOM 1332 O HIS A 86 -18.576 -0.562 -7.981 1.00 0.36 O ATOM 1333 CB HIS A 86 -17.206 -3.296 -6.903 1.00 0.31 C ATOM 1334 CG HIS A 86 -17.500 -3.784 -8.291 1.00 0.61 C ATOM 1335 ND1 HIS A 86 -16.642 -4.631 -8.943 1.00 1.62 N ATOM 1336 CD2 HIS A 86 -18.552 -3.514 -9.100 1.00 0.88 C ATOM 1337 CE1 HIS A 86 -17.184 -4.855 -10.127 1.00 1.76 C ATOM 1338 NE2 HIS A 86 -18.344 -4.200 -10.271 1.00 1.19 N ATOM 0 H HIS A 86 -16.044 -2.304 -4.969 1.00 0.24 H new ATOM 0 HA HIS A 86 -16.235 -1.545 -7.687 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -16.375 -3.871 -6.494 1.00 0.31 H new ATOM 0 HB3 HIS A 86 -18.071 -3.490 -6.269 1.00 0.31 H new ATOM 0 HD2 HIS A 86 -19.395 -2.879 -8.868 1.00 0.88 H new ATOM 0 HE1 HIS A 86 -16.746 -5.488 -10.885 1.00 1.76 H new ATOM 0 HE2 HIS A 86 -18.953 -4.209 -11.089 1.00 1.19 H new ATOM 1346 N SER A 87 -18.715 -0.663 -5.741 1.00 0.33 N ATOM 1347 CA SER A 87 -19.934 0.139 -5.680 1.00 0.37 C ATOM 1348 C SER A 87 -19.580 1.617 -5.793 1.00 0.36 C ATOM 1349 O SER A 87 -20.393 2.445 -6.202 1.00 0.44 O ATOM 1350 CB SER A 87 -20.682 -0.124 -4.371 1.00 0.44 C ATOM 1351 OG SER A 87 -20.954 -1.507 -4.204 1.00 1.34 O ATOM 0 H SER A 87 -18.360 -0.963 -4.833 1.00 0.33 H new ATOM 0 HA SER A 87 -20.583 -0.140 -6.510 1.00 0.37 H new ATOM 0 HB2 SER A 87 -20.088 0.236 -3.531 1.00 0.44 H new ATOM 0 HB3 SER A 87 -21.617 0.437 -4.364 1.00 0.44 H new ATOM 0 HG SER A 87 -20.116 -1.988 -4.038 1.00 1.34 H new ATOM 1357 N ARG A 88 -18.348 1.927 -5.424 1.00 0.32 N ATOM 1358 CA ARG A 88 -17.830 3.286 -5.516 1.00 0.36 C ATOM 1359 C ARG A 88 -17.224 3.555 -6.894 1.00 0.38 C ATOM 1360 O ARG A 88 -16.490 4.526 -7.076 1.00 0.47 O ATOM 1361 CB ARG A 88 -16.799 3.544 -4.416 1.00 0.44 C ATOM 1362 CG ARG A 88 -17.371 3.460 -3.006 1.00 0.83 C ATOM 1363 CD ARG A 88 -18.489 4.468 -2.788 1.00 1.10 C ATOM 1364 NE ARG A 88 -18.032 5.846 -2.965 1.00 1.79 N ATOM 1365 CZ ARG A 88 -18.836 6.868 -3.264 1.00 2.33 C ATOM 1366 NH1 ARG A 88 -20.152 6.685 -3.331 1.00 2.20 N ATOM 1367 NH2 ARG A 88 -18.327 8.078 -3.455 1.00 3.30 N ATOM 0 H ARG A 88 -17.681 1.250 -5.054 1.00 0.32 H new ATOM 0 HA ARG A 88 -18.665 3.973 -5.377 1.00 0.36 H new ATOM 0 HB2 ARG A 88 -15.989 2.821 -4.513 1.00 0.44 H new ATOM 0 HB3 ARG A 88 -16.364 4.532 -4.563 1.00 0.44 H new ATOM 0 HG2 ARG A 88 -17.749 2.454 -2.827 1.00 0.83 H new ATOM 0 HG3 ARG A 88 -16.577 3.636 -2.281 1.00 0.83 H new ATOM 0 HD2 ARG A 88 -19.301 4.264 -3.486 1.00 1.10 H new ATOM 0 HD3 ARG A 88 -18.894 4.347 -1.783 1.00 1.10 H new ATOM 0 HE ARG A 88 -17.036 6.038 -2.853 1.00 1.79 H new ATOM 0 HH11 ARG A 88 -20.548 5.762 -3.154 1.00 2.20 H new ATOM 0 HH12 ARG A 88 -20.765 7.468 -3.560 1.00 2.20 H new ATOM 0 HH21 ARG A 88 -17.321 8.227 -3.373 1.00 3.30 H new ATOM 0 HH22 ARG A 88 -18.941 8.859 -3.684 1.00 3.30 H new ATOM 1381 N ASN A 89 -17.528 2.666 -7.847 1.00 0.37 N ATOM 1382 CA ASN A 89 -17.130 2.828 -9.255 1.00 0.44 C ATOM 1383 C ASN A 89 -15.633 2.575 -9.445 1.00 0.48 C ATOM 1384 O ASN A 89 -14.964 3.247 -10.230 1.00 0.66 O ATOM 1385 CB ASN A 89 -17.527 4.223 -9.776 1.00 0.51 C ATOM 1386 CG ASN A 89 -17.359 4.392 -11.283 1.00 1.01 C ATOM 1387 OD1 ASN A 89 -17.064 5.485 -11.766 1.00 1.58 O ATOM 1388 ND2 ASN A 89 -17.577 3.325 -12.041 1.00 1.87 N ATOM 0 H ASN A 89 -18.057 1.813 -7.666 1.00 0.37 H new ATOM 0 HA ASN A 89 -17.664 2.081 -9.841 1.00 0.44 H new ATOM 0 HB2 ASN A 89 -18.567 4.416 -9.513 1.00 0.51 H new ATOM 0 HB3 ASN A 89 -16.924 4.975 -9.267 1.00 0.51 H new ATOM 0 HD21 ASN A 89 -17.502 3.396 -13.056 1.00 1.87 H new ATOM 0 HD22 ASN A 89 -17.820 2.433 -11.609 1.00 1.87 H new ATOM 1395 N TYR A 90 -15.111 1.601 -8.720 1.00 0.36 N ATOM 1396 CA TYR A 90 -13.745 1.153 -8.925 1.00 0.36 C ATOM 1397 C TYR A 90 -13.655 -0.362 -8.775 1.00 0.33 C ATOM 1398 O TYR A 90 -13.538 -0.882 -7.665 1.00 0.30 O ATOM 1399 CB TYR A 90 -12.776 1.840 -7.954 1.00 0.37 C ATOM 1400 CG TYR A 90 -11.337 1.427 -8.177 1.00 0.42 C ATOM 1401 CD1 TYR A 90 -10.626 1.899 -9.271 1.00 0.57 C ATOM 1402 CD2 TYR A 90 -10.704 0.544 -7.314 1.00 0.42 C ATOM 1403 CE1 TYR A 90 -9.321 1.506 -9.499 1.00 0.66 C ATOM 1404 CE2 TYR A 90 -9.400 0.142 -7.536 1.00 0.51 C ATOM 1405 CZ TYR A 90 -8.713 0.626 -8.629 1.00 0.61 C ATOM 1406 OH TYR A 90 -7.415 0.225 -8.854 1.00 0.73 O ATOM 0 H TYR A 90 -15.613 1.105 -7.984 1.00 0.36 H new ATOM 0 HA TYR A 90 -13.454 1.429 -9.939 1.00 0.36 H new ATOM 0 HB2 TYR A 90 -12.861 2.921 -8.066 1.00 0.37 H new ATOM 0 HB3 TYR A 90 -13.064 1.602 -6.930 1.00 0.37 H new ATOM 0 HD1 TYR A 90 -11.101 2.586 -9.956 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -11.238 0.165 -6.455 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -8.781 1.886 -10.353 1.00 0.66 H new ATOM 0 HE2 TYR A 90 -8.922 -0.548 -6.856 1.00 0.51 H new ATOM 0 HH TYR A 90 -7.137 -0.395 -8.148 1.00 0.73 H new ATOM 1416 N PRO A 91 -13.733 -1.094 -9.890 1.00 0.38 N ATOM 1417 CA PRO A 91 -13.574 -2.547 -9.884 1.00 0.38 C ATOM 1418 C PRO A 91 -12.118 -2.942 -9.638 1.00 0.36 C ATOM 1419 O PRO A 91 -11.242 -2.685 -10.468 1.00 0.45 O ATOM 1420 CB PRO A 91 -14.031 -2.954 -11.285 1.00 0.45 C ATOM 1421 CG PRO A 91 -13.758 -1.760 -12.131 1.00 0.50 C ATOM 1422 CD PRO A 91 -13.984 -0.567 -11.245 1.00 0.47 C ATOM 0 HA PRO A 91 -14.142 -3.036 -9.092 1.00 0.38 H new ATOM 0 HB2 PRO A 91 -13.484 -3.826 -11.642 1.00 0.45 H new ATOM 0 HB3 PRO A 91 -15.089 -3.214 -11.297 1.00 0.45 H new ATOM 0 HG2 PRO A 91 -12.737 -1.776 -12.511 1.00 0.50 H new ATOM 0 HG3 PRO A 91 -14.420 -1.735 -12.996 1.00 0.50 H new ATOM 0 HD2 PRO A 91 -13.305 0.250 -11.490 1.00 0.47 H new ATOM 0 HD3 PRO A 91 -14.998 -0.180 -11.344 1.00 0.47 H new ATOM 1430 N LEU A 92 -11.866 -3.548 -8.485 1.00 0.32 N ATOM 1431 CA LEU A 92 -10.507 -3.886 -8.074 1.00 0.32 C ATOM 1432 C LEU A 92 -9.816 -4.801 -9.069 1.00 0.30 C ATOM 1433 O LEU A 92 -10.366 -5.812 -9.500 1.00 0.30 O ATOM 1434 CB LEU A 92 -10.506 -4.562 -6.710 1.00 0.34 C ATOM 1435 CG LEU A 92 -10.843 -3.657 -5.528 1.00 0.33 C ATOM 1436 CD1 LEU A 92 -10.970 -4.470 -4.251 1.00 0.39 C ATOM 1437 CD2 LEU A 92 -9.772 -2.597 -5.371 1.00 0.32 C ATOM 0 H LEU A 92 -12.587 -3.817 -7.815 1.00 0.32 H new ATOM 0 HA LEU A 92 -9.958 -2.945 -8.027 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -11.221 -5.384 -6.731 1.00 0.34 H new ATOM 0 HB3 LEU A 92 -9.522 -4.999 -6.541 1.00 0.34 H new ATOM 0 HG LEU A 92 -11.800 -3.171 -5.720 1.00 0.33 H new ATOM 0 HD11 LEU A 92 -11.210 -3.807 -3.420 1.00 0.39 H new ATOM 0 HD12 LEU A 92 -11.763 -5.209 -4.367 1.00 0.39 H new ATOM 0 HD13 LEU A 92 -10.028 -4.979 -4.048 1.00 0.39 H new ATOM 0 HD21 LEU A 92 -10.018 -1.954 -4.526 1.00 0.32 H new ATOM 0 HD22 LEU A 92 -8.809 -3.076 -5.194 1.00 0.32 H new ATOM 0 HD23 LEU A 92 -9.718 -1.997 -6.280 1.00 0.32 H new ATOM 1449 N LYS A 93 -8.600 -4.419 -9.424 1.00 0.30 N ATOM 1450 CA LYS A 93 -7.768 -5.231 -10.290 1.00 0.30 C ATOM 1451 C LYS A 93 -7.300 -6.466 -9.534 1.00 0.31 C ATOM 1452 O LYS A 93 -7.122 -7.537 -10.107 1.00 0.36 O ATOM 1453 CB LYS A 93 -6.552 -4.447 -10.773 1.00 0.38 C ATOM 1454 CG LYS A 93 -6.854 -3.045 -11.269 1.00 0.53 C ATOM 1455 CD LYS A 93 -5.594 -2.378 -11.790 1.00 0.84 C ATOM 1456 CE LYS A 93 -5.760 -0.873 -11.897 1.00 1.06 C ATOM 1457 NZ LYS A 93 -4.509 -0.206 -12.346 1.00 1.55 N ATOM 0 H LYS A 93 -8.167 -3.546 -9.122 1.00 0.30 H new ATOM 0 HA LYS A 93 -8.360 -5.524 -11.157 1.00 0.30 H new ATOM 0 HB2 LYS A 93 -5.832 -4.381 -9.957 1.00 0.38 H new ATOM 0 HB3 LYS A 93 -6.073 -5.006 -11.577 1.00 0.38 H new ATOM 0 HG2 LYS A 93 -7.603 -3.087 -12.060 1.00 0.53 H new ATOM 0 HG3 LYS A 93 -7.278 -2.451 -10.460 1.00 0.53 H new ATOM 0 HD2 LYS A 93 -4.760 -2.606 -11.126 1.00 0.84 H new ATOM 0 HD3 LYS A 93 -5.343 -2.787 -12.769 1.00 0.84 H new ATOM 0 HE2 LYS A 93 -6.564 -0.646 -12.597 1.00 1.06 H new ATOM 0 HE3 LYS A 93 -6.058 -0.471 -10.929 1.00 1.06 H new ATOM 0 HZ1 LYS A 93 -4.060 0.269 -11.537 1.00 1.55 H new ATOM 0 HZ2 LYS A 93 -3.857 -0.917 -12.736 1.00 1.55 H new ATOM 0 HZ3 LYS A 93 -4.734 0.497 -13.079 1.00 1.55 H new ATOM 1471 N PHE A 94 -7.096 -6.291 -8.232 1.00 0.35 N ATOM 1472 CA PHE A 94 -6.616 -7.363 -7.370 1.00 0.44 C ATOM 1473 C PHE A 94 -7.373 -7.334 -6.043 1.00 0.44 C ATOM 1474 O PHE A 94 -6.863 -6.839 -5.039 1.00 0.48 O ATOM 1475 CB PHE A 94 -5.111 -7.207 -7.104 1.00 0.58 C ATOM 1476 CG PHE A 94 -4.325 -6.706 -8.283 1.00 0.58 C ATOM 1477 CD1 PHE A 94 -4.158 -5.344 -8.482 1.00 0.57 C ATOM 1478 CD2 PHE A 94 -3.759 -7.586 -9.191 1.00 0.70 C ATOM 1479 CE1 PHE A 94 -3.445 -4.870 -9.562 1.00 0.61 C ATOM 1480 CE2 PHE A 94 -3.043 -7.116 -10.276 1.00 0.77 C ATOM 1481 CZ PHE A 94 -2.887 -5.756 -10.461 1.00 0.70 C ATOM 0 H PHE A 94 -7.258 -5.408 -7.748 1.00 0.35 H new ATOM 0 HA PHE A 94 -6.788 -8.316 -7.871 1.00 0.44 H new ATOM 0 HB2 PHE A 94 -4.970 -6.520 -6.270 1.00 0.58 H new ATOM 0 HB3 PHE A 94 -4.706 -8.171 -6.795 1.00 0.58 H new ATOM 0 HD1 PHE A 94 -4.592 -4.646 -7.782 1.00 0.57 H new ATOM 0 HD2 PHE A 94 -3.878 -8.650 -9.050 1.00 0.70 H new ATOM 0 HE1 PHE A 94 -3.323 -3.806 -9.705 1.00 0.61 H new ATOM 0 HE2 PHE A 94 -2.606 -7.811 -10.978 1.00 0.77 H new ATOM 0 HZ PHE A 94 -2.329 -5.386 -11.308 1.00 0.70 H new ATOM 1491 N PRO A 95 -8.614 -7.839 -6.022 1.00 0.45 N ATOM 1492 CA PRO A 95 -9.451 -7.841 -4.817 1.00 0.52 C ATOM 1493 C PRO A 95 -8.923 -8.783 -3.735 1.00 0.51 C ATOM 1494 O PRO A 95 -9.234 -8.629 -2.556 1.00 0.55 O ATOM 1495 CB PRO A 95 -10.822 -8.324 -5.314 1.00 0.66 C ATOM 1496 CG PRO A 95 -10.756 -8.265 -6.805 1.00 0.57 C ATOM 1497 CD PRO A 95 -9.311 -8.441 -7.167 1.00 0.45 C ATOM 0 HA PRO A 95 -9.476 -6.855 -4.353 1.00 0.52 H new ATOM 0 HB2 PRO A 95 -11.028 -9.338 -4.971 1.00 0.66 H new ATOM 0 HB3 PRO A 95 -11.622 -7.690 -4.932 1.00 0.66 H new ATOM 0 HG2 PRO A 95 -11.368 -9.048 -7.253 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -11.137 -7.313 -7.174 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -9.050 -9.492 -7.292 1.00 0.45 H new ATOM 0 HD3 PRO A 95 -9.064 -7.938 -8.102 1.00 0.45 H new ATOM 1505 N GLN A 96 -8.102 -9.740 -4.141 1.00 0.56 N ATOM 1506 CA GLN A 96 -7.614 -10.769 -3.232 1.00 0.70 C ATOM 1507 C GLN A 96 -6.313 -10.349 -2.552 1.00 0.75 C ATOM 1508 O GLN A 96 -5.508 -11.191 -2.159 1.00 0.96 O ATOM 1509 CB GLN A 96 -7.410 -12.076 -3.995 1.00 0.83 C ATOM 1510 CG GLN A 96 -8.681 -12.600 -4.640 1.00 0.93 C ATOM 1511 CD GLN A 96 -9.695 -13.105 -3.633 1.00 1.70 C ATOM 1512 OE1 GLN A 96 -9.341 -13.592 -2.556 1.00 2.40 O ATOM 1513 NE2 GLN A 96 -10.966 -13.003 -3.980 1.00 2.31 N ATOM 0 H GLN A 96 -7.758 -9.826 -5.097 1.00 0.56 H new ATOM 0 HA GLN A 96 -8.362 -10.913 -2.452 1.00 0.70 H new ATOM 0 HB2 GLN A 96 -6.655 -11.924 -4.767 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -7.020 -12.830 -3.312 1.00 0.83 H new ATOM 0 HG2 GLN A 96 -9.133 -11.806 -5.235 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -8.427 -13.408 -5.326 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -11.218 -12.594 -4.880 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -11.695 -13.333 -3.348 1.00 2.31 H new ATOM 1522 N LEU A 97 -6.106 -9.048 -2.423 1.00 0.67 N ATOM 1523 CA LEU A 97 -4.929 -8.532 -1.739 1.00 0.81 C ATOM 1524 C LEU A 97 -5.224 -8.322 -0.264 1.00 0.61 C ATOM 1525 O LEU A 97 -6.347 -7.979 0.111 1.00 0.55 O ATOM 1526 CB LEU A 97 -4.476 -7.204 -2.349 1.00 1.09 C ATOM 1527 CG LEU A 97 -4.020 -7.260 -3.808 1.00 1.70 C ATOM 1528 CD1 LEU A 97 -3.489 -5.905 -4.251 1.00 2.43 C ATOM 1529 CD2 LEU A 97 -2.965 -8.337 -4.002 1.00 2.44 C ATOM 0 H LEU A 97 -6.736 -8.331 -2.782 1.00 0.67 H new ATOM 0 HA LEU A 97 -4.132 -9.267 -1.855 1.00 0.81 H new ATOM 0 HB2 LEU A 97 -5.298 -6.492 -2.273 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -3.657 -6.811 -1.747 1.00 1.09 H new ATOM 0 HG LEU A 97 -4.881 -7.513 -4.426 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -3.169 -5.962 -5.291 1.00 2.43 H new ATOM 0 HD12 LEU A 97 -4.275 -5.157 -4.154 1.00 2.43 H new ATOM 0 HD13 LEU A 97 -2.642 -5.624 -3.625 1.00 2.43 H new ATOM 0 HD21 LEU A 97 -2.655 -8.359 -5.047 1.00 2.44 H new ATOM 0 HD22 LEU A 97 -2.102 -8.119 -3.372 1.00 2.44 H new ATOM 0 HD23 LEU A 97 -3.380 -9.307 -3.726 1.00 2.44 H new ATOM 1541 N HIS A 98 -4.215 -8.553 0.567 1.00 0.58 N ATOM 1542 CA HIS A 98 -4.299 -8.244 1.985 1.00 0.51 C ATOM 1543 C HIS A 98 -4.505 -6.746 2.168 1.00 0.54 C ATOM 1544 O HIS A 98 -3.811 -5.935 1.548 1.00 0.68 O ATOM 1545 CB HIS A 98 -3.026 -8.700 2.703 1.00 0.53 C ATOM 1546 CG HIS A 98 -2.848 -10.187 2.698 1.00 0.54 C ATOM 1547 ND1 HIS A 98 -2.370 -10.847 1.593 1.00 0.71 N ATOM 1548 CD2 HIS A 98 -3.110 -11.089 3.672 1.00 0.56 C ATOM 1549 CE1 HIS A 98 -2.358 -12.126 1.916 1.00 0.74 C ATOM 1550 NE2 HIS A 98 -2.798 -12.324 3.164 1.00 0.65 N ATOM 0 H HIS A 98 -3.324 -8.956 0.278 1.00 0.58 H new ATOM 0 HA HIS A 98 -5.146 -8.775 2.419 1.00 0.51 H new ATOM 0 HB2 HIS A 98 -2.162 -8.235 2.228 1.00 0.53 H new ATOM 0 HB3 HIS A 98 -3.051 -8.347 3.734 1.00 0.53 H new ATOM 0 HD2 HIS A 98 -3.492 -10.877 4.660 1.00 0.56 H new ATOM 0 HE1 HIS A 98 -2.033 -12.916 1.255 1.00 0.74 H new ATOM 0 HE2 HIS A 98 -2.885 -13.220 3.644 1.00 0.65 H new ATOM 1558 N CYS A 99 -5.465 -6.395 3.009 1.00 0.46 N ATOM 1559 CA CYS A 99 -5.879 -5.009 3.173 1.00 0.52 C ATOM 1560 C CYS A 99 -4.734 -4.143 3.680 1.00 0.45 C ATOM 1561 O CYS A 99 -4.158 -4.412 4.733 1.00 0.53 O ATOM 1562 CB CYS A 99 -7.049 -4.922 4.150 1.00 0.64 C ATOM 1563 SG CYS A 99 -8.356 -6.133 3.850 1.00 0.55 S ATOM 0 H CYS A 99 -5.976 -7.056 3.593 1.00 0.46 H new ATOM 0 HA CYS A 99 -6.186 -4.638 2.195 1.00 0.52 H new ATOM 0 HB2 CYS A 99 -6.672 -5.055 5.164 1.00 0.64 H new ATOM 0 HB3 CYS A 99 -7.478 -3.921 4.098 1.00 0.64 H new ATOM 0 HG CYS A 99 -7.957 -7.307 4.240 1.00 0.55 H new ATOM 1569 N LEU A 100 -4.417 -3.105 2.924 1.00 0.34 N ATOM 1570 CA LEU A 100 -3.437 -2.119 3.333 1.00 0.30 C ATOM 1571 C LEU A 100 -3.969 -1.391 4.546 1.00 0.29 C ATOM 1572 O LEU A 100 -5.048 -0.809 4.496 1.00 0.28 O ATOM 1573 CB LEU A 100 -3.166 -1.124 2.199 1.00 0.31 C ATOM 1574 CG LEU A 100 -2.095 -0.071 2.487 1.00 0.33 C ATOM 1575 CD1 LEU A 100 -0.786 -0.744 2.857 1.00 0.40 C ATOM 1576 CD2 LEU A 100 -1.898 0.822 1.274 1.00 0.40 C ATOM 0 H LEU A 100 -4.833 -2.924 2.010 1.00 0.34 H new ATOM 0 HA LEU A 100 -2.498 -2.616 3.575 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -2.871 -1.684 1.311 1.00 0.31 H new ATOM 0 HB3 LEU A 100 -4.098 -0.612 1.958 1.00 0.31 H new ATOM 0 HG LEU A 100 -2.424 0.543 3.325 1.00 0.33 H new ATOM 0 HD11 LEU A 100 -0.031 0.016 3.060 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -0.931 -1.358 3.746 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -0.454 -1.374 2.031 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -1.133 1.568 1.491 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -1.583 0.217 0.424 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -2.836 1.323 1.035 1.00 0.40 H new ATOM 1588 N ASN A 101 -3.222 -1.432 5.628 1.00 0.30 N ATOM 1589 CA ASN A 101 -3.697 -0.888 6.880 1.00 0.32 C ATOM 1590 C ASN A 101 -2.896 0.352 7.240 1.00 0.30 C ATOM 1591 O ASN A 101 -1.762 0.272 7.735 1.00 0.35 O ATOM 1592 CB ASN A 101 -3.607 -1.941 7.992 1.00 0.38 C ATOM 1593 CG ASN A 101 -4.094 -1.430 9.336 1.00 0.44 C ATOM 1594 OD1 ASN A 101 -4.963 -0.565 9.413 1.00 1.01 O ATOM 1595 ND2 ASN A 101 -3.540 -1.974 10.409 1.00 0.89 N ATOM 0 H ASN A 101 -2.286 -1.835 5.665 1.00 0.30 H new ATOM 0 HA ASN A 101 -4.744 -0.606 6.771 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -4.195 -2.813 7.707 1.00 0.38 H new ATOM 0 HB3 ASN A 101 -2.573 -2.271 8.089 1.00 0.38 H new ATOM 0 HD21 ASN A 101 -3.832 -1.677 11.340 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -2.821 -2.690 10.304 1.00 0.89 H new ATOM 1602 N VAL A 102 -3.483 1.497 6.947 1.00 0.26 N ATOM 1603 CA VAL A 102 -2.852 2.777 7.210 1.00 0.25 C ATOM 1604 C VAL A 102 -3.622 3.538 8.282 1.00 0.32 C ATOM 1605 O VAL A 102 -4.767 3.205 8.589 1.00 0.36 O ATOM 1606 CB VAL A 102 -2.755 3.637 5.929 1.00 0.21 C ATOM 1607 CG1 VAL A 102 -1.825 2.993 4.923 1.00 0.21 C ATOM 1608 CG2 VAL A 102 -4.118 3.836 5.301 1.00 0.22 C ATOM 0 H VAL A 102 -4.407 1.566 6.521 1.00 0.26 H new ATOM 0 HA VAL A 102 -1.840 2.577 7.563 1.00 0.25 H new ATOM 0 HB VAL A 102 -2.356 4.610 6.216 1.00 0.21 H new ATOM 0 HG11 VAL A 102 -1.770 3.614 4.029 1.00 0.21 H new ATOM 0 HG12 VAL A 102 -0.830 2.895 5.358 1.00 0.21 H new ATOM 0 HG13 VAL A 102 -2.204 2.006 4.657 1.00 0.21 H new ATOM 0 HG21 VAL A 102 -4.019 4.444 4.402 1.00 0.22 H new ATOM 0 HG22 VAL A 102 -4.543 2.867 5.038 1.00 0.22 H new ATOM 0 HG23 VAL A 102 -4.775 4.340 6.010 1.00 0.22 H new ATOM 1618 N GLY A 103 -2.990 4.548 8.855 1.00 0.38 N ATOM 1619 CA GLY A 103 -3.640 5.338 9.878 1.00 0.50 C ATOM 1620 C GLY A 103 -3.192 4.957 11.272 1.00 0.65 C ATOM 1621 O GLY A 103 -2.020 5.115 11.621 1.00 0.90 O ATOM 0 H GLY A 103 -2.038 4.836 8.630 1.00 0.38 H new ATOM 0 HA2 GLY A 103 -3.429 6.394 9.707 1.00 0.50 H new ATOM 0 HA3 GLY A 103 -4.720 5.212 9.799 1.00 0.50 H new ATOM 1625 N SER A 104 -4.119 4.456 12.074 1.00 0.67 N ATOM 1626 CA SER A 104 -3.831 4.104 13.453 1.00 0.79 C ATOM 1627 C SER A 104 -4.710 2.938 13.906 1.00 0.79 C ATOM 1628 O SER A 104 -5.541 2.455 13.139 1.00 0.74 O ATOM 1629 CB SER A 104 -4.033 5.321 14.358 1.00 0.99 C ATOM 1630 OG SER A 104 -3.183 6.386 13.968 1.00 1.69 O ATOM 0 H SER A 104 -5.083 4.284 11.789 1.00 0.67 H new ATOM 0 HA SER A 104 -2.790 3.788 13.524 1.00 0.79 H new ATOM 0 HB2 SER A 104 -5.073 5.645 14.313 1.00 0.99 H new ATOM 0 HB3 SER A 104 -3.829 5.048 15.393 1.00 0.99 H new ATOM 0 HG SER A 104 -3.329 7.154 14.558 1.00 1.69 H new ATOM 1636 N SER A 105 -4.523 2.469 15.127 1.00 0.95 N ATOM 1637 CA SER A 105 -5.325 1.367 15.637 1.00 1.05 C ATOM 1638 C SER A 105 -6.762 1.816 15.927 1.00 1.13 C ATOM 1639 O SER A 105 -7.714 1.073 15.684 1.00 1.21 O ATOM 1640 CB SER A 105 -4.670 0.775 16.886 1.00 1.24 C ATOM 1641 OG SER A 105 -4.188 1.796 17.748 1.00 1.56 O ATOM 0 H SER A 105 -3.828 2.830 15.781 1.00 0.95 H new ATOM 0 HA SER A 105 -5.374 0.592 14.872 1.00 1.05 H new ATOM 0 HB2 SER A 105 -5.392 0.156 17.419 1.00 1.24 H new ATOM 0 HB3 SER A 105 -3.846 0.124 16.594 1.00 1.24 H new ATOM 0 HG SER A 105 -3.776 1.389 18.539 1.00 1.56 H new ATOM 1647 N ILE A 106 -6.917 3.042 16.425 1.00 1.17 N ATOM 1648 CA ILE A 106 -8.242 3.578 16.733 1.00 1.29 C ATOM 1649 C ILE A 106 -8.998 3.951 15.458 1.00 1.21 C ATOM 1650 O ILE A 106 -10.227 3.924 15.421 1.00 1.34 O ATOM 1651 CB ILE A 106 -8.169 4.813 17.660 1.00 1.42 C ATOM 1652 CG1 ILE A 106 -7.357 5.937 17.008 1.00 1.33 C ATOM 1653 CG2 ILE A 106 -7.565 4.426 19.000 1.00 1.54 C ATOM 1654 CD1 ILE A 106 -7.357 7.228 17.799 1.00 1.65 C ATOM 0 H ILE A 106 -6.146 3.680 16.623 1.00 1.17 H new ATOM 0 HA ILE A 106 -8.779 2.786 17.254 1.00 1.29 H new ATOM 0 HB ILE A 106 -9.182 5.181 17.825 1.00 1.42 H new ATOM 0 HG12 ILE A 106 -6.328 5.601 16.878 1.00 1.33 H new ATOM 0 HG13 ILE A 106 -7.757 6.131 16.013 1.00 1.33 H new ATOM 0 HG21 ILE A 106 -7.518 5.303 19.645 1.00 1.54 H new ATOM 0 HG22 ILE A 106 -8.184 3.662 19.471 1.00 1.54 H new ATOM 0 HG23 ILE A 106 -6.559 4.035 18.846 1.00 1.54 H new ATOM 0 HD11 ILE A 106 -6.762 7.976 17.275 1.00 1.65 H new ATOM 0 HD12 ILE A 106 -8.380 7.589 17.907 1.00 1.65 H new ATOM 0 HD13 ILE A 106 -6.929 7.050 18.786 1.00 1.65 H new ATOM 1666 N LYS A 107 -8.258 4.300 14.418 1.00 1.03 N ATOM 1667 CA LYS A 107 -8.856 4.609 13.130 1.00 0.98 C ATOM 1668 C LYS A 107 -8.064 3.905 12.040 1.00 0.82 C ATOM 1669 O LYS A 107 -6.957 4.322 11.694 1.00 0.77 O ATOM 1670 CB LYS A 107 -8.871 6.130 12.903 1.00 1.09 C ATOM 1671 CG LYS A 107 -9.862 6.610 11.845 1.00 1.56 C ATOM 1672 CD LYS A 107 -9.438 6.236 10.430 1.00 1.87 C ATOM 1673 CE LYS A 107 -10.426 6.753 9.393 1.00 1.81 C ATOM 1674 NZ LYS A 107 -10.526 8.236 9.408 1.00 2.29 N ATOM 0 H LYS A 107 -7.241 4.376 14.441 1.00 1.03 H new ATOM 0 HA LYS A 107 -9.888 4.259 13.106 1.00 0.98 H new ATOM 0 HB2 LYS A 107 -9.103 6.622 13.848 1.00 1.09 H new ATOM 0 HB3 LYS A 107 -7.870 6.450 12.615 1.00 1.09 H new ATOM 0 HG2 LYS A 107 -10.843 6.182 12.051 1.00 1.56 H new ATOM 0 HG3 LYS A 107 -9.966 7.693 11.915 1.00 1.56 H new ATOM 0 HD2 LYS A 107 -8.448 6.645 10.226 1.00 1.87 H new ATOM 0 HD3 LYS A 107 -9.358 5.152 10.348 1.00 1.87 H new ATOM 0 HE2 LYS A 107 -10.118 6.421 8.402 1.00 1.81 H new ATOM 0 HE3 LYS A 107 -11.409 6.322 9.582 1.00 1.81 H new ATOM 0 HZ1 LYS A 107 -11.030 8.559 8.557 1.00 2.29 H new ATOM 0 HZ2 LYS A 107 -11.047 8.540 10.255 1.00 2.29 H new ATOM 0 HZ3 LYS A 107 -9.571 8.648 9.422 1.00 2.29 H new ATOM 1688 N SER A 108 -8.642 2.849 11.497 1.00 0.80 N ATOM 1689 CA SER A 108 -7.940 2.007 10.547 1.00 0.69 C ATOM 1690 C SER A 108 -8.464 2.228 9.138 1.00 0.60 C ATOM 1691 O SER A 108 -9.657 2.067 8.869 1.00 0.74 O ATOM 1692 CB SER A 108 -8.095 0.539 10.944 1.00 0.78 C ATOM 1693 OG SER A 108 -7.797 0.357 12.321 1.00 1.43 O ATOM 0 H SER A 108 -9.597 2.554 11.698 1.00 0.80 H new ATOM 0 HA SER A 108 -6.883 2.273 10.561 1.00 0.69 H new ATOM 0 HB2 SER A 108 -9.113 0.208 10.740 1.00 0.78 H new ATOM 0 HB3 SER A 108 -7.432 -0.079 10.339 1.00 0.78 H new ATOM 0 HG SER A 108 -7.103 0.993 12.592 1.00 1.43 H new ATOM 1699 N ILE A 109 -7.573 2.614 8.245 1.00 0.44 N ATOM 1700 CA ILE A 109 -7.927 2.825 6.855 1.00 0.39 C ATOM 1701 C ILE A 109 -7.438 1.644 6.029 1.00 0.35 C ATOM 1702 O ILE A 109 -6.233 1.451 5.877 1.00 0.34 O ATOM 1703 CB ILE A 109 -7.289 4.109 6.297 1.00 0.37 C ATOM 1704 CG1 ILE A 109 -7.027 5.122 7.409 1.00 0.41 C ATOM 1705 CG2 ILE A 109 -8.187 4.725 5.239 1.00 0.40 C ATOM 1706 CD1 ILE A 109 -6.019 6.174 7.013 1.00 0.42 C ATOM 0 H ILE A 109 -6.591 2.789 8.460 1.00 0.44 H new ATOM 0 HA ILE A 109 -9.011 2.921 6.796 1.00 0.39 H new ATOM 0 HB ILE A 109 -6.334 3.840 5.846 1.00 0.37 H new ATOM 0 HG12 ILE A 109 -7.964 5.607 7.681 1.00 0.41 H new ATOM 0 HG13 ILE A 109 -6.670 4.598 8.296 1.00 0.41 H new ATOM 0 HG21 ILE A 109 -7.724 5.633 4.852 1.00 0.40 H new ATOM 0 HG22 ILE A 109 -8.329 4.015 4.424 1.00 0.40 H new ATOM 0 HG23 ILE A 109 -9.153 4.970 5.680 1.00 0.40 H new ATOM 0 HD11 ILE A 109 -5.872 6.867 7.841 1.00 0.42 H new ATOM 0 HD12 ILE A 109 -5.071 5.695 6.768 1.00 0.42 H new ATOM 0 HD13 ILE A 109 -6.385 6.720 6.144 1.00 0.42 H new ATOM 1718 N LEU A 110 -8.360 0.846 5.516 1.00 0.36 N ATOM 1719 CA LEU A 110 -7.988 -0.341 4.760 1.00 0.31 C ATOM 1720 C LEU A 110 -8.126 -0.105 3.260 1.00 0.31 C ATOM 1721 O LEU A 110 -9.217 0.168 2.759 1.00 0.37 O ATOM 1722 CB LEU A 110 -8.829 -1.541 5.194 1.00 0.34 C ATOM 1723 CG LEU A 110 -8.718 -1.903 6.677 1.00 0.43 C ATOM 1724 CD1 LEU A 110 -9.543 -3.140 6.983 1.00 0.65 C ATOM 1725 CD2 LEU A 110 -7.265 -2.125 7.068 1.00 0.83 C ATOM 0 H LEU A 110 -9.365 0.996 5.608 1.00 0.36 H new ATOM 0 HA LEU A 110 -6.941 -0.557 4.971 1.00 0.31 H new ATOM 0 HB2 LEU A 110 -9.874 -1.337 4.962 1.00 0.34 H new ATOM 0 HB3 LEU A 110 -8.534 -2.407 4.601 1.00 0.34 H new ATOM 0 HG LEU A 110 -9.108 -1.071 7.263 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -9.454 -3.384 8.041 1.00 0.65 H new ATOM 0 HD12 LEU A 110 -10.589 -2.949 6.742 1.00 0.65 H new ATOM 0 HD13 LEU A 110 -9.180 -3.976 6.386 1.00 0.65 H new ATOM 0 HD21 LEU A 110 -7.208 -2.381 8.126 1.00 0.83 H new ATOM 0 HD22 LEU A 110 -6.849 -2.939 6.475 1.00 0.83 H new ATOM 0 HD23 LEU A 110 -6.695 -1.214 6.884 1.00 0.83 H new ATOM 1737 N LEU A 111 -7.005 -0.195 2.557 1.00 0.28 N ATOM 1738 CA LEU A 111 -6.974 0.074 1.115 1.00 0.30 C ATOM 1739 C LEU A 111 -6.353 -1.095 0.347 1.00 0.30 C ATOM 1740 O LEU A 111 -5.830 -2.023 0.940 1.00 0.61 O ATOM 1741 CB LEU A 111 -6.141 1.333 0.828 1.00 0.52 C ATOM 1742 CG LEU A 111 -5.731 2.155 2.051 1.00 0.40 C ATOM 1743 CD1 LEU A 111 -4.537 3.034 1.726 1.00 0.48 C ATOM 1744 CD2 LEU A 111 -6.879 3.014 2.535 1.00 0.62 C ATOM 0 H LEU A 111 -6.102 -0.452 2.956 1.00 0.28 H new ATOM 0 HA LEU A 111 -8.004 0.216 0.788 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -5.238 1.034 0.296 1.00 0.52 H new ATOM 0 HB3 LEU A 111 -6.709 1.976 0.156 1.00 0.52 H new ATOM 0 HG LEU A 111 -5.457 1.459 2.844 1.00 0.40 H new ATOM 0 HD11 LEU A 111 -4.260 3.611 2.608 1.00 0.48 H new ATOM 0 HD12 LEU A 111 -3.697 2.409 1.422 1.00 0.48 H new ATOM 0 HD13 LEU A 111 -4.796 3.714 0.914 1.00 0.48 H new ATOM 0 HD21 LEU A 111 -6.562 3.589 3.405 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -7.183 3.696 1.741 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -7.720 2.377 2.808 1.00 0.62 H new ATOM 1756 N PRO A 112 -6.452 -1.090 -0.986 1.00 0.34 N ATOM 1757 CA PRO A 112 -5.622 -1.918 -1.843 1.00 0.33 C ATOM 1758 C PRO A 112 -4.420 -1.118 -2.346 1.00 0.32 C ATOM 1759 O PRO A 112 -4.539 0.067 -2.672 1.00 0.33 O ATOM 1760 CB PRO A 112 -6.575 -2.261 -2.982 1.00 0.35 C ATOM 1761 CG PRO A 112 -7.506 -1.087 -3.085 1.00 0.81 C ATOM 1762 CD PRO A 112 -7.424 -0.321 -1.779 1.00 0.64 C ATOM 0 HA PRO A 112 -5.206 -2.797 -1.351 1.00 0.33 H new ATOM 0 HB2 PRO A 112 -6.033 -2.417 -3.915 1.00 0.35 H new ATOM 0 HB3 PRO A 112 -7.122 -3.180 -2.774 1.00 0.35 H new ATOM 0 HG2 PRO A 112 -7.225 -0.448 -3.922 1.00 0.81 H new ATOM 0 HG3 PRO A 112 -8.527 -1.423 -3.269 1.00 0.81 H new ATOM 0 HD2 PRO A 112 -7.091 0.705 -1.936 1.00 0.64 H new ATOM 0 HD3 PRO A 112 -8.393 -0.269 -1.284 1.00 0.64 H new ATOM 1770 N ILE A 113 -3.267 -1.766 -2.416 1.00 0.33 N ATOM 1771 CA ILE A 113 -2.020 -1.078 -2.737 1.00 0.29 C ATOM 1772 C ILE A 113 -2.006 -0.576 -4.191 1.00 0.30 C ATOM 1773 O ILE A 113 -1.145 0.213 -4.578 1.00 0.28 O ATOM 1774 CB ILE A 113 -0.799 -1.989 -2.458 1.00 0.30 C ATOM 1775 CG1 ILE A 113 0.499 -1.193 -2.551 1.00 0.26 C ATOM 1776 CG2 ILE A 113 -0.774 -3.178 -3.408 1.00 0.33 C ATOM 1777 CD1 ILE A 113 0.647 -0.153 -1.457 1.00 0.25 C ATOM 0 H ILE A 113 -3.166 -2.768 -2.255 1.00 0.33 H new ATOM 0 HA ILE A 113 -1.953 -0.205 -2.088 1.00 0.29 H new ATOM 0 HB ILE A 113 -0.892 -2.375 -1.443 1.00 0.30 H new ATOM 0 HG12 ILE A 113 1.343 -1.881 -2.504 1.00 0.26 H new ATOM 0 HG13 ILE A 113 0.544 -0.698 -3.521 1.00 0.26 H new ATOM 0 HG21 ILE A 113 0.094 -3.800 -3.189 1.00 0.33 H new ATOM 0 HG22 ILE A 113 -1.683 -3.765 -3.280 1.00 0.33 H new ATOM 0 HG23 ILE A 113 -0.715 -2.821 -4.436 1.00 0.33 H new ATOM 0 HD11 ILE A 113 1.592 0.376 -1.583 1.00 0.25 H new ATOM 0 HD12 ILE A 113 -0.177 0.557 -1.516 1.00 0.25 H new ATOM 0 HD13 ILE A 113 0.633 -0.644 -0.484 1.00 0.25 H new ATOM 1789 N GLU A 114 -2.981 -1.020 -4.986 1.00 0.36 N ATOM 1790 CA GLU A 114 -3.136 -0.552 -6.365 1.00 0.42 C ATOM 1791 C GLU A 114 -3.596 0.912 -6.392 1.00 0.33 C ATOM 1792 O GLU A 114 -3.443 1.610 -7.393 1.00 0.41 O ATOM 1793 CB GLU A 114 -4.132 -1.460 -7.116 1.00 0.57 C ATOM 1794 CG GLU A 114 -4.513 -0.978 -8.512 1.00 0.72 C ATOM 1795 CD GLU A 114 -3.352 -0.930 -9.489 1.00 1.47 C ATOM 1796 OE1 GLU A 114 -2.747 -1.989 -9.755 1.00 1.87 O ATOM 1797 OE2 GLU A 114 -3.004 0.169 -9.949 1.00 1.90 O ATOM 0 H GLU A 114 -3.678 -1.706 -4.697 1.00 0.36 H new ATOM 0 HA GLU A 114 -2.170 -0.605 -6.868 1.00 0.42 H new ATOM 0 HB2 GLU A 114 -3.701 -2.458 -7.197 1.00 0.57 H new ATOM 0 HB3 GLU A 114 -5.039 -1.552 -6.519 1.00 0.57 H new ATOM 0 HG2 GLU A 114 -5.285 -1.635 -8.913 1.00 0.72 H new ATOM 0 HG3 GLU A 114 -4.950 0.018 -8.434 1.00 0.72 H new ATOM 1804 N LEU A 115 -4.132 1.381 -5.273 1.00 0.24 N ATOM 1805 CA LEU A 115 -4.622 2.754 -5.181 1.00 0.24 C ATOM 1806 C LEU A 115 -3.628 3.642 -4.448 1.00 0.21 C ATOM 1807 O LEU A 115 -3.979 4.714 -3.954 1.00 0.29 O ATOM 1808 CB LEU A 115 -5.976 2.797 -4.471 1.00 0.30 C ATOM 1809 CG LEU A 115 -7.157 2.292 -5.299 1.00 0.39 C ATOM 1810 CD1 LEU A 115 -8.431 2.292 -4.469 1.00 0.93 C ATOM 1811 CD2 LEU A 115 -7.333 3.153 -6.540 1.00 1.03 C ATOM 0 H LEU A 115 -4.239 0.835 -4.418 1.00 0.24 H new ATOM 0 HA LEU A 115 -4.741 3.131 -6.197 1.00 0.24 H new ATOM 0 HB2 LEU A 115 -5.910 2.203 -3.560 1.00 0.30 H new ATOM 0 HB3 LEU A 115 -6.178 3.824 -4.168 1.00 0.30 H new ATOM 0 HG LEU A 115 -6.950 1.268 -5.609 1.00 0.39 H new ATOM 0 HD11 LEU A 115 -9.261 1.929 -5.076 1.00 0.93 H new ATOM 0 HD12 LEU A 115 -8.302 1.641 -3.604 1.00 0.93 H new ATOM 0 HD13 LEU A 115 -8.645 3.306 -4.131 1.00 0.93 H new ATOM 0 HD21 LEU A 115 -8.177 2.784 -7.122 1.00 1.03 H new ATOM 0 HD22 LEU A 115 -7.520 4.185 -6.243 1.00 1.03 H new ATOM 0 HD23 LEU A 115 -6.428 3.108 -7.145 1.00 1.03 H new ATOM 1823 N CYS A 116 -2.386 3.200 -4.380 1.00 0.24 N ATOM 1824 CA CYS A 116 -1.366 3.944 -3.668 1.00 0.23 C ATOM 1825 C CYS A 116 -0.107 4.082 -4.510 1.00 0.22 C ATOM 1826 O CYS A 116 0.312 3.142 -5.187 1.00 0.25 O ATOM 1827 CB CYS A 116 -1.041 3.251 -2.345 1.00 0.25 C ATOM 1828 SG CYS A 116 -2.486 2.979 -1.296 1.00 0.37 S ATOM 0 H CYS A 116 -2.061 2.333 -4.808 1.00 0.24 H new ATOM 0 HA CYS A 116 -1.750 4.943 -3.463 1.00 0.23 H new ATOM 0 HB2 CYS A 116 -0.568 2.291 -2.554 1.00 0.25 H new ATOM 0 HB3 CYS A 116 -0.314 3.852 -1.799 1.00 0.25 H new ATOM 0 HG CYS A 116 -2.172 3.211 -0.056 1.00 0.37 H new ATOM 1834 N SER A 117 0.479 5.264 -4.485 1.00 0.24 N ATOM 1835 CA SER A 117 1.748 5.494 -5.144 1.00 0.24 C ATOM 1836 C SER A 117 2.808 5.807 -4.099 1.00 0.24 C ATOM 1837 O SER A 117 2.532 6.455 -3.101 1.00 0.25 O ATOM 1838 CB SER A 117 1.630 6.637 -6.149 1.00 0.29 C ATOM 1839 OG SER A 117 0.418 6.535 -6.880 1.00 0.63 O ATOM 0 H SER A 117 0.094 6.082 -4.013 1.00 0.24 H new ATOM 0 HA SER A 117 2.038 4.596 -5.690 1.00 0.24 H new ATOM 0 HB2 SER A 117 1.667 7.593 -5.627 1.00 0.29 H new ATOM 0 HB3 SER A 117 2.477 6.615 -6.834 1.00 0.29 H new ATOM 0 HG SER A 117 0.358 7.276 -7.518 1.00 0.63 H new ATOM 1845 N ILE A 118 4.006 5.338 -4.330 1.00 0.26 N ATOM 1846 CA ILE A 118 5.089 5.508 -3.391 1.00 0.28 C ATOM 1847 C ILE A 118 5.950 6.701 -3.801 1.00 0.34 C ATOM 1848 O ILE A 118 6.148 6.950 -4.994 1.00 0.36 O ATOM 1849 CB ILE A 118 5.954 4.224 -3.341 1.00 0.29 C ATOM 1850 CG1 ILE A 118 6.963 4.295 -2.198 1.00 0.29 C ATOM 1851 CG2 ILE A 118 6.667 3.995 -4.667 1.00 0.39 C ATOM 1852 CD1 ILE A 118 7.759 3.021 -2.005 1.00 0.31 C ATOM 0 H ILE A 118 4.261 4.826 -5.175 1.00 0.26 H new ATOM 0 HA ILE A 118 4.674 5.693 -2.400 1.00 0.28 H new ATOM 0 HB ILE A 118 5.289 3.379 -3.161 1.00 0.29 H new ATOM 0 HG12 ILE A 118 7.652 5.118 -2.385 1.00 0.29 H new ATOM 0 HG13 ILE A 118 6.434 4.526 -1.273 1.00 0.29 H new ATOM 0 HG21 ILE A 118 7.267 3.087 -4.605 1.00 0.39 H new ATOM 0 HG22 ILE A 118 5.930 3.889 -5.463 1.00 0.39 H new ATOM 0 HG23 ILE A 118 7.315 4.845 -4.883 1.00 0.39 H new ATOM 0 HD11 ILE A 118 8.454 3.149 -1.175 1.00 0.31 H new ATOM 0 HD12 ILE A 118 7.080 2.197 -1.786 1.00 0.31 H new ATOM 0 HD13 ILE A 118 8.317 2.799 -2.915 1.00 0.31 H new ATOM 1864 N GLU A 119 6.421 7.457 -2.824 1.00 0.41 N ATOM 1865 CA GLU A 119 7.370 8.518 -3.098 1.00 0.50 C ATOM 1866 C GLU A 119 8.748 7.890 -3.253 1.00 0.55 C ATOM 1867 O GLU A 119 9.297 7.346 -2.292 1.00 0.56 O ATOM 1868 CB GLU A 119 7.372 9.552 -1.968 1.00 0.60 C ATOM 1869 CG GLU A 119 8.366 10.684 -2.175 1.00 1.23 C ATOM 1870 CD GLU A 119 8.329 11.699 -1.052 1.00 1.69 C ATOM 1871 OE1 GLU A 119 8.825 11.392 0.050 1.00 2.46 O ATOM 1872 OE2 GLU A 119 7.795 12.808 -1.262 1.00 2.02 O ATOM 0 H GLU A 119 6.163 7.356 -1.842 1.00 0.41 H new ATOM 0 HA GLU A 119 7.090 9.039 -4.014 1.00 0.50 H new ATOM 0 HB2 GLU A 119 6.371 9.973 -1.871 1.00 0.60 H new ATOM 0 HB3 GLU A 119 7.599 9.049 -1.028 1.00 0.60 H new ATOM 0 HG2 GLU A 119 9.371 10.271 -2.254 1.00 1.23 H new ATOM 0 HG3 GLU A 119 8.151 11.184 -3.120 1.00 1.23 H new ATOM 1879 N GLU A 120 9.301 7.948 -4.458 1.00 0.68 N ATOM 1880 CA GLU A 120 10.534 7.226 -4.759 1.00 0.84 C ATOM 1881 C GLU A 120 11.723 7.783 -3.980 1.00 0.98 C ATOM 1882 O GLU A 120 12.725 7.090 -3.782 1.00 1.08 O ATOM 1883 CB GLU A 120 10.806 7.220 -6.271 1.00 1.10 C ATOM 1884 CG GLU A 120 10.858 8.594 -6.926 1.00 1.26 C ATOM 1885 CD GLU A 120 12.188 9.299 -6.735 1.00 2.16 C ATOM 1886 OE1 GLU A 120 13.238 8.639 -6.870 1.00 2.36 O ATOM 1887 OE2 GLU A 120 12.185 10.520 -6.476 1.00 2.92 O ATOM 0 H GLU A 120 8.920 8.483 -5.239 1.00 0.68 H new ATOM 0 HA GLU A 120 10.400 6.194 -4.436 1.00 0.84 H new ATOM 0 HB2 GLU A 120 11.754 6.713 -6.451 1.00 1.10 H new ATOM 0 HB3 GLU A 120 10.031 6.631 -6.761 1.00 1.10 H new ATOM 0 HG2 GLU A 120 10.660 8.488 -7.993 1.00 1.26 H new ATOM 0 HG3 GLU A 120 10.063 9.215 -6.515 1.00 1.26 H new