USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 926 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 72 CYS SG : rot 79:sc= 0.892 USER MOD Set 1.2: A 90 CYS SG : rot 33:sc= -1.12! USER MOD Set 2.1: A 62 CYS SG : rot 180:sc= 0.856 USER MOD Set 2.2: A 76 CYS SG : rot -40:sc= 0.482 USER MOD Set 3.1: A 46 ASN : amide:sc= 0.204 X(o=2,f=1.9) USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0.245 USER MOD Set 3.3: A 57 ASN : amide:sc= 1.51 K(o=2,f=-3.5!) USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0.721 USER MOD Set 4.2: A 49 LYS NZ :NH3+ 169:sc= 0.814 (180deg=0) USER MOD Set 5.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 40 LYS NZ :NH3+ 173:sc= 0.771 (180deg=0.738) USER MOD Set 6.1: A 34 SER OG : rot 80:sc= 0.0853 USER MOD Set 6.2: A 42 ASN : amide:sc= 0.894 K(o=2.3,f=0.51) USER MOD Set 6.3: A 55 GLN : amide:sc= 1.28 K(o=2.3,f=-1.4) USER MOD Set 7.1: A 28 CYS SG : rot -118:sc= 0.15 USER MOD Set 7.2: A 32 HIS : no HD1:sc= 0 X(o=-0.36,f=-0.34) USER MOD Set 7.3: A 110 CYS SG : rot 170:sc= -0.508 USER MOD Set 8.1: A 7 CYS SG : rot 180:sc= 0.363 USER MOD Set 8.2: A 119 SER OG : rot 180:sc= 0.0282 USER MOD Set 8.3: A 120 CYS SG : rot -56:sc= 0.0568 USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0.675 (180deg=0.635) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.15) USER MOD Single : A 16 HIS : no HD1:sc= -0.855 K(o=-0.86,f=-2.2) USER MOD Single : A 21 ASN : amide:sc= 0.0119 K(o=0.012,f=-2.2!) USER MOD Single : A 23 MET CE :methyl 148:sc= -0.151 (180deg=-3.6!) USER MOD Single : A 25 ASN : amide:sc= 0.0124 K(o=0.012,f=-1.3) USER MOD Single : A 38 THR OG1 : rot 169:sc= 1.15 USER MOD Single : A 39 SER OG : rot 180:sc= -0.482 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.22) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0.945 (180deg=0.913) USER MOD Single : A 73 ASN : amide:sc= -0.0404 K(o=-0.04,f=-0.83) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 0.366 (180deg=0.0723) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -90:sc= 0.991 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0891 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 0.879 (180deg=0.86) USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= 1.18 (180deg=1) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=-0.04) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 164:sc= 1.2 (180deg=1.12) USER MOD Single : A 108 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.19) USER MOD Single : A 109 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.023) USER MOD Single : A 111 GLN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 73:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.398 -7.655 10.148 1.00 0.00 N ATOM 2 CA GLY A 1 -7.988 -7.468 8.747 1.00 0.00 C ATOM 3 C GLY A 1 -8.658 -8.465 7.815 1.00 0.00 C ATOM 4 O GLY A 1 -9.275 -9.438 8.257 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.831 -7.036 10.761 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.405 -7.415 10.250 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.249 -8.647 10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.235 -6.455 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.906 -7.572 8.670 1.00 0.00 H new ATOM 10 N LYS A 2 -8.531 -8.227 6.509 1.00 0.00 N ATOM 11 CA LYS A 2 -9.218 -8.947 5.427 1.00 0.00 C ATOM 12 C LYS A 2 -8.443 -8.892 4.095 1.00 0.00 C ATOM 13 O LYS A 2 -7.582 -8.023 3.906 1.00 0.00 O ATOM 14 CB LYS A 2 -10.648 -8.379 5.269 1.00 0.00 C ATOM 15 CG LYS A 2 -10.671 -6.921 4.766 1.00 0.00 C ATOM 16 CD LYS A 2 -12.088 -6.368 4.567 1.00 0.00 C ATOM 17 CE LYS A 2 -12.814 -7.048 3.399 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.161 -6.459 3.174 1.00 0.00 N ATOM 0 H LYS A 2 -7.918 -7.492 6.156 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.272 -10.001 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.206 -9.005 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.162 -8.433 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.139 -6.290 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.130 -6.862 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.663 -6.509 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.036 -5.295 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.217 -6.950 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.912 -8.114 3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.623 -6.943 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.738 -6.575 4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.065 -5.447 2.956 1.00 0.00 H new ATOM 32 N THR A 3 -8.806 -9.773 3.152 1.00 0.00 N ATOM 33 CA THR A 3 -8.189 -9.876 1.818 1.00 0.00 C ATOM 34 C THR A 3 -9.177 -9.471 0.731 1.00 0.00 C ATOM 35 O THR A 3 -10.315 -9.940 0.715 1.00 0.00 O ATOM 36 CB THR A 3 -7.636 -11.283 1.563 1.00 0.00 C ATOM 37 OG1 THR A 3 -6.914 -11.717 2.695 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.671 -11.274 0.375 1.00 0.00 C ATOM 0 H THR A 3 -9.554 -10.451 3.297 1.00 0.00 H new ATOM 0 HA THR A 3 -7.348 -9.183 1.787 1.00 0.00 H new ATOM 0 HB THR A 3 -8.476 -11.946 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.562 -12.617 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.289 -12.281 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.196 -10.934 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.840 -10.601 0.586 1.00 0.00 H new ATOM 46 N PHE A 4 -8.729 -8.606 -0.179 1.00 0.00 N ATOM 47 CA PHE A 4 -9.491 -8.095 -1.321 1.00 0.00 C ATOM 48 C PHE A 4 -9.204 -8.905 -2.598 1.00 0.00 C ATOM 49 O PHE A 4 -8.169 -9.567 -2.723 1.00 0.00 O ATOM 50 CB PHE A 4 -9.152 -6.599 -1.533 1.00 0.00 C ATOM 51 CG PHE A 4 -9.657 -5.679 -0.425 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.033 -5.647 0.841 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.793 -4.871 -0.648 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.570 -4.866 1.879 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.327 -4.089 0.390 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.724 -4.095 1.659 1.00 0.00 C ATOM 0 H PHE A 4 -7.784 -8.225 -0.139 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.554 -8.200 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.070 -6.491 -1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.577 -6.273 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.138 -6.226 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.255 -4.854 -1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.094 -4.858 2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.203 -3.482 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.146 -3.509 2.462 1.00 0.00 H new ATOM 66 N THR A 5 -10.113 -8.799 -3.572 1.00 0.00 N ATOM 67 CA THR A 5 -9.928 -9.239 -4.967 1.00 0.00 C ATOM 68 C THR A 5 -9.658 -8.001 -5.816 1.00 0.00 C ATOM 69 O THR A 5 -9.952 -6.891 -5.372 1.00 0.00 O ATOM 70 CB THR A 5 -11.125 -10.067 -5.450 1.00 0.00 C ATOM 71 OG1 THR A 5 -10.790 -10.596 -6.713 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.429 -9.274 -5.588 1.00 0.00 C ATOM 0 H THR A 5 -11.033 -8.390 -3.409 1.00 0.00 H new ATOM 0 HA THR A 5 -9.072 -9.908 -5.055 1.00 0.00 H new ATOM 0 HB THR A 5 -11.313 -10.832 -4.697 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.536 -11.134 -7.051 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.223 -9.936 -5.934 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.703 -8.854 -4.620 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.290 -8.467 -6.308 1.00 0.00 H new ATOM 80 N ARG A 6 -9.099 -8.147 -7.021 1.00 0.00 N ATOM 81 CA ARG A 6 -8.701 -6.997 -7.851 1.00 0.00 C ATOM 82 C ARG A 6 -9.884 -6.060 -8.138 1.00 0.00 C ATOM 83 O ARG A 6 -9.772 -4.851 -7.940 1.00 0.00 O ATOM 84 CB ARG A 6 -8.023 -7.492 -9.138 1.00 0.00 C ATOM 85 CG ARG A 6 -7.302 -6.349 -9.877 1.00 0.00 C ATOM 86 CD ARG A 6 -6.541 -6.852 -11.110 1.00 0.00 C ATOM 87 NE ARG A 6 -5.470 -7.793 -10.732 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.125 -8.916 -11.345 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.737 -9.352 -12.427 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.127 -9.619 -10.861 1.00 0.00 N ATOM 0 H ARG A 6 -8.910 -9.053 -7.449 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.977 -6.402 -7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.307 -8.276 -8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.770 -7.936 -9.795 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.031 -5.598 -10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.606 -5.859 -9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.235 -7.343 -11.793 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.112 -6.005 -11.645 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.931 -7.551 -9.900 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.510 -8.819 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.438 -10.223 -12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.633 -9.298 -10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.845 -10.486 -11.318 1.00 0.00 H new ATOM 104 N CYS A 7 -11.052 -6.613 -8.483 1.00 0.00 N ATOM 105 CA CYS A 7 -12.289 -5.844 -8.710 1.00 0.00 C ATOM 106 C CYS A 7 -12.793 -5.096 -7.464 1.00 0.00 C ATOM 107 O CYS A 7 -13.416 -4.042 -7.594 1.00 0.00 O ATOM 108 CB CYS A 7 -13.375 -6.782 -9.253 1.00 0.00 C ATOM 109 SG CYS A 7 -12.934 -7.661 -10.776 1.00 0.00 S ATOM 0 H CYS A 7 -11.170 -7.617 -8.615 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.054 -5.070 -9.440 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.618 -7.516 -8.485 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.279 -6.201 -9.435 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.923 -8.423 -11.139 1.00 0.00 H new ATOM 114 N GLY A 8 -12.470 -5.590 -6.261 1.00 0.00 N ATOM 115 CA GLY A 8 -12.736 -4.915 -4.988 1.00 0.00 C ATOM 116 C GLY A 8 -11.707 -3.821 -4.718 1.00 0.00 C ATOM 117 O GLY A 8 -12.083 -2.685 -4.446 1.00 0.00 O ATOM 0 H GLY A 8 -12.006 -6.491 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.736 -4.481 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.718 -5.643 -4.177 1.00 0.00 H new ATOM 121 N LEU A 9 -10.412 -4.130 -4.849 1.00 0.00 N ATOM 122 CA LEU A 9 -9.308 -3.195 -4.635 1.00 0.00 C ATOM 123 C LEU A 9 -9.355 -2.006 -5.602 1.00 0.00 C ATOM 124 O LEU A 9 -9.264 -0.877 -5.135 1.00 0.00 O ATOM 125 CB LEU A 9 -7.985 -3.979 -4.724 1.00 0.00 C ATOM 126 CG LEU A 9 -6.760 -3.106 -4.395 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.803 -2.597 -2.948 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.459 -3.876 -4.638 1.00 0.00 C ATOM 0 H LEU A 9 -10.097 -5.063 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.395 -2.752 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.020 -4.824 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.876 -4.389 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.790 -2.244 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.923 -1.985 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.702 -1.999 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.815 -3.446 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.608 -3.238 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.437 -4.763 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.404 -4.176 -5.684 1.00 0.00 H new ATOM 140 N VAL A 10 -9.566 -2.230 -6.903 1.00 0.00 N ATOM 141 CA VAL A 10 -9.721 -1.149 -7.902 1.00 0.00 C ATOM 142 C VAL A 10 -10.786 -0.136 -7.447 1.00 0.00 C ATOM 143 O VAL A 10 -10.562 1.069 -7.485 1.00 0.00 O ATOM 144 CB VAL A 10 -10.084 -1.718 -9.298 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.566 -0.638 -10.279 1.00 0.00 C ATOM 146 CG2 VAL A 10 -8.883 -2.434 -9.936 1.00 0.00 C ATOM 0 H VAL A 10 -9.636 -3.166 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.762 -0.637 -7.984 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.899 -2.419 -9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.805 -1.098 -11.238 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.456 -0.153 -9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.780 0.104 -10.418 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.168 -2.822 -10.914 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.059 -1.730 -10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.569 -3.258 -9.296 1.00 0.00 H new ATOM 156 N HIS A 11 -11.921 -0.626 -6.945 1.00 0.00 N ATOM 157 CA HIS A 11 -13.022 0.203 -6.430 1.00 0.00 C ATOM 158 C HIS A 11 -12.678 0.897 -5.097 1.00 0.00 C ATOM 159 O HIS A 11 -12.966 2.082 -4.928 1.00 0.00 O ATOM 160 CB HIS A 11 -14.275 -0.667 -6.257 1.00 0.00 C ATOM 161 CG HIS A 11 -14.965 -1.093 -7.531 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.239 -1.668 -7.574 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.503 -0.952 -8.811 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.505 -1.869 -8.875 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.484 -1.449 -9.640 1.00 0.00 N ATOM 0 H HIS A 11 -12.108 -1.627 -6.882 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.202 0.993 -7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -13.998 -1.562 -5.700 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -14.992 -0.120 -5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.554 -0.533 -9.112 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.416 -2.308 -9.254 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.442 -1.491 -10.658 1.00 0.00 H new ATOM 173 N GLU A 12 -12.036 0.179 -4.176 1.00 0.00 N ATOM 174 CA GLU A 12 -11.623 0.675 -2.861 1.00 0.00 C ATOM 175 C GLU A 12 -10.636 1.843 -2.995 1.00 0.00 C ATOM 176 O GLU A 12 -10.783 2.861 -2.325 1.00 0.00 O ATOM 177 CB GLU A 12 -11.022 -0.498 -2.063 1.00 0.00 C ATOM 178 CG GLU A 12 -11.213 -0.401 -0.547 1.00 0.00 C ATOM 179 CD GLU A 12 -12.685 -0.344 -0.100 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.571 -0.932 -0.762 1.00 0.00 O ATOM 181 OE2 GLU A 12 -12.977 0.313 0.924 1.00 0.00 O ATOM 0 H GLU A 12 -11.780 -0.796 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.487 1.065 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.471 -1.427 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.955 -0.558 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.735 -1.260 -0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.700 0.489 -0.183 1.00 0.00 H new ATOM 188 N LEU A 13 -9.689 1.748 -3.930 1.00 0.00 N ATOM 189 CA LEU A 13 -8.712 2.801 -4.218 1.00 0.00 C ATOM 190 C LEU A 13 -9.328 3.966 -4.998 1.00 0.00 C ATOM 191 O LEU A 13 -9.062 5.122 -4.671 1.00 0.00 O ATOM 192 CB LEU A 13 -7.547 2.177 -4.991 1.00 0.00 C ATOM 193 CG LEU A 13 -6.807 1.059 -4.245 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.797 0.428 -5.204 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.092 1.552 -2.985 1.00 0.00 C ATOM 0 H LEU A 13 -9.577 0.923 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.357 3.222 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.926 1.778 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.833 2.962 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.545 0.329 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.259 -0.370 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.322 0.017 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.089 1.187 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.588 0.715 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.358 2.311 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.821 1.982 -2.298 1.00 0.00 H new ATOM 207 N ARG A 14 -10.194 3.690 -5.981 1.00 0.00 N ATOM 208 CA ARG A 14 -10.967 4.736 -6.684 1.00 0.00 C ATOM 209 C ARG A 14 -11.769 5.606 -5.699 1.00 0.00 C ATOM 210 O ARG A 14 -11.776 6.833 -5.813 1.00 0.00 O ATOM 211 CB ARG A 14 -11.919 4.118 -7.723 1.00 0.00 C ATOM 212 CG ARG A 14 -11.231 3.741 -9.043 1.00 0.00 C ATOM 213 CD ARG A 14 -12.182 2.894 -9.895 1.00 0.00 C ATOM 214 NE ARG A 14 -11.610 2.555 -11.208 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.161 1.726 -12.092 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.342 1.185 -11.899 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.531 1.405 -13.199 1.00 0.00 N ATOM 0 H ARG A 14 -10.382 2.744 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.246 5.372 -7.198 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.380 3.227 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.723 4.824 -7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.945 4.642 -9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.315 3.186 -8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.424 1.976 -9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.117 3.436 -10.038 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.722 2.989 -11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.867 1.396 -11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.734 0.554 -12.598 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.607 1.792 -13.391 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.966 0.769 -13.867 1.00 0.00 H new ATOM 231 N LYS A 15 -12.393 4.989 -4.691 1.00 0.00 N ATOM 232 CA LYS A 15 -13.103 5.647 -3.596 1.00 0.00 C ATOM 233 C LYS A 15 -12.156 6.407 -2.642 1.00 0.00 C ATOM 234 O LYS A 15 -12.472 7.516 -2.209 1.00 0.00 O ATOM 235 CB LYS A 15 -13.887 4.527 -2.893 1.00 0.00 C ATOM 236 CG LYS A 15 -14.765 5.029 -1.747 1.00 0.00 C ATOM 237 CD LYS A 15 -15.536 3.892 -1.058 1.00 0.00 C ATOM 238 CE LYS A 15 -14.568 2.907 -0.386 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.264 1.800 0.315 1.00 0.00 N ATOM 0 H LYS A 15 -12.417 3.972 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.771 6.425 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.514 4.017 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.184 3.789 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.142 5.539 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.473 5.764 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.216 4.306 -0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.148 3.365 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.901 2.490 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.945 3.447 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.561 1.140 0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.842 2.188 1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.877 1.295 -0.356 1.00 0.00 H new ATOM 253 N HIS A 16 -10.972 5.851 -2.360 1.00 0.00 N ATOM 254 CA HIS A 16 -9.970 6.424 -1.446 1.00 0.00 C ATOM 255 C HIS A 16 -9.043 7.493 -2.080 1.00 0.00 C ATOM 256 O HIS A 16 -8.193 8.058 -1.383 1.00 0.00 O ATOM 257 CB HIS A 16 -9.177 5.271 -0.800 1.00 0.00 C ATOM 258 CG HIS A 16 -9.976 4.409 0.154 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.333 4.537 0.483 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.452 3.379 0.876 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.579 3.561 1.374 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.473 2.851 1.631 1.00 0.00 N ATOM 0 H HIS A 16 -10.674 4.966 -2.771 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.510 6.984 -0.682 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.775 4.637 -1.591 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.326 5.690 -0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.427 3.041 0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.543 3.374 1.824 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.401 2.061 2.272 1.00 0.00 H new ATOM 270 N GLY A 17 -9.212 7.811 -3.372 1.00 0.00 N ATOM 271 CA GLY A 17 -8.535 8.925 -4.057 1.00 0.00 C ATOM 272 C GLY A 17 -7.284 8.523 -4.842 1.00 0.00 C ATOM 273 O GLY A 17 -6.284 9.243 -4.807 1.00 0.00 O ATOM 0 H GLY A 17 -9.838 7.289 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.241 9.397 -4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.258 9.675 -3.316 1.00 0.00 H new ATOM 277 N PHE A 18 -7.325 7.385 -5.540 1.00 0.00 N ATOM 278 CA PHE A 18 -6.273 6.911 -6.445 1.00 0.00 C ATOM 279 C PHE A 18 -6.732 7.080 -7.905 1.00 0.00 C ATOM 280 O PHE A 18 -7.899 6.842 -8.228 1.00 0.00 O ATOM 281 CB PHE A 18 -5.952 5.446 -6.131 1.00 0.00 C ATOM 282 CG PHE A 18 -5.263 5.190 -4.797 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.920 5.441 -3.578 1.00 0.00 C ATOM 284 CD2 PHE A 18 -3.954 4.677 -4.774 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.265 5.222 -2.358 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.300 4.433 -3.553 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.955 4.709 -2.342 1.00 0.00 C ATOM 0 H PHE A 18 -8.118 6.746 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.366 7.499 -6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.881 4.877 -6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.319 5.054 -6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.937 5.805 -3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.445 4.468 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.767 5.447 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.296 4.034 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.455 4.528 -1.402 1.00 0.00 H new ATOM 297 N GLU A 19 -5.821 7.499 -8.788 1.00 0.00 N ATOM 298 CA GLU A 19 -6.149 7.862 -10.173 1.00 0.00 C ATOM 299 C GLU A 19 -6.362 6.626 -11.059 1.00 0.00 C ATOM 300 O GLU A 19 -5.580 5.674 -11.011 1.00 0.00 O ATOM 301 CB GLU A 19 -5.042 8.735 -10.786 1.00 0.00 C ATOM 302 CG GLU A 19 -4.701 10.010 -10.006 1.00 0.00 C ATOM 303 CD GLU A 19 -5.909 10.951 -9.865 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.299 11.596 -10.867 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.467 11.060 -8.749 1.00 0.00 O ATOM 0 H GLU A 19 -4.831 7.597 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.082 8.424 -10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.138 8.133 -10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.342 9.016 -11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.337 9.740 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.891 10.536 -10.511 1.00 0.00 H new ATOM 312 N GLU A 20 -7.387 6.655 -11.914 1.00 0.00 N ATOM 313 CA GLU A 20 -7.749 5.530 -12.790 1.00 0.00 C ATOM 314 C GLU A 20 -6.645 5.135 -13.792 1.00 0.00 C ATOM 315 O GLU A 20 -6.548 3.966 -14.165 1.00 0.00 O ATOM 316 CB GLU A 20 -9.084 5.812 -13.505 1.00 0.00 C ATOM 317 CG GLU A 20 -9.038 6.987 -14.494 1.00 0.00 C ATOM 318 CD GLU A 20 -10.419 7.232 -15.120 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.722 6.637 -16.182 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.210 8.027 -14.559 1.00 0.00 O ATOM 0 H GLU A 20 -7.997 7.466 -12.021 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.868 4.663 -12.140 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.392 4.914 -14.040 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.849 6.014 -12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.703 7.888 -13.979 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.311 6.779 -15.279 1.00 0.00 H new ATOM 327 N ASN A 21 -5.769 6.072 -14.182 1.00 0.00 N ATOM 328 CA ASN A 21 -4.619 5.805 -15.056 1.00 0.00 C ATOM 329 C ASN A 21 -3.391 5.244 -14.309 1.00 0.00 C ATOM 330 O ASN A 21 -2.490 4.691 -14.943 1.00 0.00 O ATOM 331 CB ASN A 21 -4.265 7.072 -15.856 1.00 0.00 C ATOM 332 CG ASN A 21 -3.577 8.156 -15.028 1.00 0.00 C ATOM 333 OD1 ASN A 21 -3.952 8.439 -13.899 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.542 8.786 -15.555 1.00 0.00 N ATOM 0 H ASN A 21 -5.841 7.048 -13.896 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.918 5.015 -15.745 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.615 6.796 -16.686 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.177 7.483 -16.288 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.057 9.507 -15.020 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.228 8.551 -16.497 1.00 0.00 H new ATOM 341 N LEU A 22 -3.361 5.346 -12.971 1.00 0.00 N ATOM 342 CA LEU A 22 -2.339 4.744 -12.104 1.00 0.00 C ATOM 343 C LEU A 22 -2.819 3.438 -11.452 1.00 0.00 C ATOM 344 O LEU A 22 -2.006 2.692 -10.915 1.00 0.00 O ATOM 345 CB LEU A 22 -1.921 5.760 -11.022 1.00 0.00 C ATOM 346 CG LEU A 22 -1.362 7.105 -11.526 1.00 0.00 C ATOM 347 CD1 LEU A 22 -0.925 7.948 -10.320 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.190 6.950 -12.506 1.00 0.00 C ATOM 0 H LEU A 22 -4.067 5.864 -12.449 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.482 4.490 -12.727 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.787 5.964 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.168 5.293 -10.387 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.161 7.600 -12.079 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.528 8.902 -10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.782 8.127 -9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.154 7.415 -9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.154 7.935 -12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.626 6.420 -12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.518 6.385 -13.378 1.00 0.00 H new ATOM 360 N MET A 23 -4.121 3.141 -11.506 1.00 0.00 N ATOM 361 CA MET A 23 -4.764 2.008 -10.826 1.00 0.00 C ATOM 362 C MET A 23 -4.080 0.662 -11.118 1.00 0.00 C ATOM 363 O MET A 23 -3.793 -0.086 -10.181 1.00 0.00 O ATOM 364 CB MET A 23 -6.253 2.017 -11.211 1.00 0.00 C ATOM 365 CG MET A 23 -7.146 1.201 -10.268 1.00 0.00 C ATOM 366 SD MET A 23 -7.079 1.694 -8.530 1.00 0.00 S ATOM 367 CE MET A 23 -7.531 3.437 -8.703 1.00 0.00 C ATOM 0 H MET A 23 -4.782 3.702 -12.043 1.00 0.00 H new ATOM 0 HA MET A 23 -4.661 2.126 -9.747 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.607 3.048 -11.229 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.358 1.626 -12.223 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.177 1.278 -10.612 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.863 0.151 -10.343 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.079 3.760 -7.818 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.628 4.038 -8.810 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.159 3.564 -9.585 1.00 0.00 H new ATOM 377 N ARG A 24 -3.717 0.389 -12.381 1.00 0.00 N ATOM 378 CA ARG A 24 -2.948 -0.804 -12.781 1.00 0.00 C ATOM 379 C ARG A 24 -1.628 -0.931 -12.006 1.00 0.00 C ATOM 380 O ARG A 24 -1.353 -1.983 -11.425 1.00 0.00 O ATOM 381 CB ARG A 24 -2.657 -0.784 -14.292 1.00 0.00 C ATOM 382 CG ARG A 24 -3.931 -0.761 -15.147 1.00 0.00 C ATOM 383 CD ARG A 24 -3.635 -0.896 -16.645 1.00 0.00 C ATOM 384 NE ARG A 24 -3.228 -2.268 -16.988 1.00 0.00 N ATOM 385 CZ ARG A 24 -2.828 -2.710 -18.174 1.00 0.00 C ATOM 386 NH1 ARG A 24 -2.686 -1.907 -19.210 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.564 -3.986 -18.330 1.00 0.00 N ATOM 0 H ARG A 24 -3.952 0.998 -13.165 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.565 -1.670 -12.540 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.051 0.091 -14.528 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.066 -1.661 -14.554 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.589 -1.572 -14.835 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.468 0.171 -14.968 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.521 -0.623 -17.219 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.845 -0.199 -16.926 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.256 -2.953 -16.233 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.886 -0.911 -19.115 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.376 -2.281 -20.107 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.667 -4.628 -17.544 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.256 -4.336 -19.237 1.00 0.00 H new ATOM 401 N ASN A 25 -0.839 0.145 -11.939 1.00 0.00 N ATOM 402 CA ASN A 25 0.417 0.191 -11.181 1.00 0.00 C ATOM 403 C ASN A 25 0.161 -0.055 -9.687 1.00 0.00 C ATOM 404 O ASN A 25 0.852 -0.866 -9.075 1.00 0.00 O ATOM 405 CB ASN A 25 1.128 1.549 -11.354 1.00 0.00 C ATOM 406 CG ASN A 25 1.637 1.849 -12.761 1.00 0.00 C ATOM 407 OD1 ASN A 25 1.100 1.406 -13.765 1.00 0.00 O ATOM 408 ND2 ASN A 25 2.702 2.623 -12.868 1.00 0.00 N ATOM 0 H ASN A 25 -1.056 1.020 -12.415 1.00 0.00 H new ATOM 0 HA ASN A 25 1.059 -0.597 -11.575 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.439 2.340 -11.059 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.972 1.588 -10.665 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.076 2.851 -13.789 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.150 2.993 -12.030 1.00 0.00 H new ATOM 415 N TRP A 26 -0.863 0.592 -9.117 1.00 0.00 N ATOM 416 CA TRP A 26 -1.207 0.484 -7.701 1.00 0.00 C ATOM 417 C TRP A 26 -1.688 -0.920 -7.312 1.00 0.00 C ATOM 418 O TRP A 26 -1.148 -1.488 -6.362 1.00 0.00 O ATOM 419 CB TRP A 26 -2.234 1.564 -7.339 1.00 0.00 C ATOM 420 CG TRP A 26 -1.662 2.934 -7.130 1.00 0.00 C ATOM 421 CD1 TRP A 26 -1.936 4.038 -7.862 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.756 3.376 -6.072 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.291 5.131 -7.314 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.581 4.789 -6.181 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.084 2.725 -5.013 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.171 5.524 -5.252 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.691 3.450 -4.088 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.808 4.847 -4.197 1.00 0.00 C ATOM 0 H TRP A 26 -1.482 1.213 -9.637 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.300 0.650 -7.119 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.981 1.615 -8.131 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.754 1.261 -6.430 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.563 4.062 -8.741 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.334 6.074 -7.700 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.166 1.653 -4.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.259 6.596 -5.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.199 2.930 -3.289 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.386 5.399 -3.471 1.00 0.00 H new ATOM 439 N VAL A 27 -2.628 -1.523 -8.051 1.00 0.00 N ATOM 440 CA VAL A 27 -3.090 -2.887 -7.718 1.00 0.00 C ATOM 441 C VAL A 27 -1.984 -3.923 -7.914 1.00 0.00 C ATOM 442 O VAL A 27 -1.877 -4.845 -7.114 1.00 0.00 O ATOM 443 CB VAL A 27 -4.377 -3.347 -8.439 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.507 -2.337 -8.227 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.185 -3.650 -9.933 1.00 0.00 C ATOM 0 H VAL A 27 -3.078 -1.105 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.352 -2.819 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.651 -4.297 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.404 -2.680 -8.743 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.715 -2.243 -7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.208 -1.368 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.134 -3.966 -10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.835 -2.753 -10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.450 -4.446 -10.051 1.00 0.00 H new ATOM 455 N CYS A 28 -1.109 -3.741 -8.910 1.00 0.00 N ATOM 456 CA CYS A 28 0.012 -4.653 -9.149 1.00 0.00 C ATOM 457 C CYS A 28 1.081 -4.545 -8.050 1.00 0.00 C ATOM 458 O CYS A 28 1.500 -5.563 -7.501 1.00 0.00 O ATOM 459 CB CYS A 28 0.549 -4.394 -10.557 1.00 0.00 C ATOM 460 SG CYS A 28 1.684 -5.677 -11.151 1.00 0.00 S ATOM 0 H CYS A 28 -1.158 -2.963 -9.568 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.326 -5.688 -9.098 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.290 -4.316 -11.248 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.063 -3.433 -10.569 1.00 0.00 H new ATOM 0 HG CYS A 28 2.852 -5.152 -11.377 1.00 0.00 H new ATOM 465 N LEU A 29 1.417 -3.316 -7.633 1.00 0.00 N ATOM 466 CA LEU A 29 2.245 -3.019 -6.458 1.00 0.00 C ATOM 467 C LEU A 29 1.660 -3.695 -5.212 1.00 0.00 C ATOM 468 O LEU A 29 2.346 -4.486 -4.569 1.00 0.00 O ATOM 469 CB LEU A 29 2.354 -1.482 -6.344 1.00 0.00 C ATOM 470 CG LEU A 29 3.184 -0.886 -5.187 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.391 0.605 -5.489 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.509 -0.988 -3.807 1.00 0.00 C ATOM 0 H LEU A 29 1.109 -2.475 -8.121 1.00 0.00 H new ATOM 0 HA LEU A 29 3.252 -3.424 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.773 -1.109 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.343 -1.083 -6.266 1.00 0.00 H new ATOM 0 HG LEU A 29 4.111 -1.457 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.976 1.060 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.922 0.714 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.422 1.100 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.158 -0.546 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.559 -0.454 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.331 -2.036 -3.565 1.00 0.00 H new ATOM 484 N VAL A 30 0.388 -3.436 -4.900 1.00 0.00 N ATOM 485 CA VAL A 30 -0.291 -3.973 -3.707 1.00 0.00 C ATOM 486 C VAL A 30 -0.358 -5.505 -3.713 1.00 0.00 C ATOM 487 O VAL A 30 -0.130 -6.126 -2.675 1.00 0.00 O ATOM 488 CB VAL A 30 -1.705 -3.364 -3.572 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.600 -4.136 -2.593 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.614 -1.900 -3.112 1.00 0.00 C ATOM 0 H VAL A 30 -0.211 -2.841 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 30 0.304 -3.686 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.160 -3.428 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.579 -3.659 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.714 -5.164 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.143 -4.134 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.617 -1.484 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.113 -1.853 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.047 -1.324 -3.843 1.00 0.00 H new ATOM 500 N GLU A 31 -0.639 -6.124 -4.866 1.00 0.00 N ATOM 501 CA GLU A 31 -0.665 -7.585 -4.997 1.00 0.00 C ATOM 502 C GLU A 31 0.707 -8.214 -4.730 1.00 0.00 C ATOM 503 O GLU A 31 0.795 -9.208 -4.010 1.00 0.00 O ATOM 504 CB GLU A 31 -1.178 -7.995 -6.388 1.00 0.00 C ATOM 505 CG GLU A 31 -2.706 -7.872 -6.489 1.00 0.00 C ATOM 506 CD GLU A 31 -3.260 -8.066 -7.907 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.553 -8.555 -8.813 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.466 -7.795 -8.110 1.00 0.00 O ATOM 0 H GLU A 31 -0.854 -5.628 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.351 -7.963 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.711 -7.368 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.881 -9.023 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.163 -8.609 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.005 -6.889 -6.125 1.00 0.00 H new ATOM 515 N HIS A 32 1.785 -7.617 -5.232 1.00 0.00 N ATOM 516 CA HIS A 32 3.141 -8.130 -5.029 1.00 0.00 C ATOM 517 C HIS A 32 3.773 -7.745 -3.670 1.00 0.00 C ATOM 518 O HIS A 32 4.710 -8.414 -3.226 1.00 0.00 O ATOM 519 CB HIS A 32 3.993 -7.691 -6.217 1.00 0.00 C ATOM 520 CG HIS A 32 3.692 -8.469 -7.472 1.00 0.00 C ATOM 521 ND1 HIS A 32 3.759 -9.858 -7.604 1.00 0.00 N ATOM 522 CD2 HIS A 32 3.322 -7.929 -8.665 1.00 0.00 C ATOM 523 CE1 HIS A 32 3.419 -10.115 -8.879 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.149 -8.975 -9.541 1.00 0.00 N ATOM 0 H HIS A 32 1.745 -6.765 -5.791 1.00 0.00 H new ATOM 0 HA HIS A 32 3.092 -9.218 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.827 -6.630 -6.404 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.047 -7.810 -5.966 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.190 -6.879 -8.882 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.369 -11.103 -9.313 1.00 0.00 H new ATOM 0 HE2 HIS A 32 2.866 -8.900 -10.518 1.00 0.00 H new ATOM 532 N GLU A 33 3.256 -6.713 -2.991 1.00 0.00 N ATOM 533 CA GLU A 33 3.675 -6.326 -1.638 1.00 0.00 C ATOM 534 C GLU A 33 2.920 -7.117 -0.555 1.00 0.00 C ATOM 535 O GLU A 33 3.552 -7.791 0.258 1.00 0.00 O ATOM 536 CB GLU A 33 3.494 -4.813 -1.414 1.00 0.00 C ATOM 537 CG GLU A 33 4.548 -3.951 -2.128 1.00 0.00 C ATOM 538 CD GLU A 33 5.989 -4.167 -1.628 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.201 -4.519 -0.445 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.927 -3.962 -2.433 1.00 0.00 O ATOM 0 H GLU A 33 2.524 -6.114 -3.372 1.00 0.00 H new ATOM 0 HA GLU A 33 4.734 -6.569 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.503 -4.520 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.532 -4.606 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.511 -4.164 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.286 -2.900 -2.003 1.00 0.00 H new ATOM 547 N SER A 34 1.581 -7.073 -0.534 1.00 0.00 N ATOM 548 CA SER A 34 0.778 -7.607 0.582 1.00 0.00 C ATOM 549 C SER A 34 -0.276 -8.641 0.159 1.00 0.00 C ATOM 550 O SER A 34 -1.016 -9.134 1.008 1.00 0.00 O ATOM 551 CB SER A 34 0.075 -6.465 1.332 1.00 0.00 C ATOM 552 OG SER A 34 0.956 -5.406 1.650 1.00 0.00 O ATOM 0 H SER A 34 1.023 -6.668 -1.286 1.00 0.00 H new ATOM 0 HA SER A 34 1.490 -8.120 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.743 -6.083 0.722 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.367 -6.854 2.249 1.00 0.00 H new ATOM 0 HG SER A 34 1.086 -4.840 0.860 1.00 0.00 H new ATOM 558 N SER A 35 -0.397 -8.953 -1.134 1.00 0.00 N ATOM 559 CA SER A 35 -1.406 -9.864 -1.708 1.00 0.00 C ATOM 560 C SER A 35 -2.848 -9.334 -1.575 1.00 0.00 C ATOM 561 O SER A 35 -3.810 -10.106 -1.592 1.00 0.00 O ATOM 562 CB SER A 35 -1.309 -11.293 -1.140 1.00 0.00 C ATOM 563 OG SER A 35 0.023 -11.739 -0.893 1.00 0.00 O ATOM 0 H SER A 35 0.227 -8.566 -1.842 1.00 0.00 H new ATOM 0 HA SER A 35 -1.169 -9.906 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.874 -11.340 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.786 -11.981 -1.837 1.00 0.00 H new ATOM 0 HG SER A 35 0.001 -12.650 -0.533 1.00 0.00 H new ATOM 569 N ARG A 36 -2.998 -8.012 -1.392 1.00 0.00 N ATOM 570 CA ARG A 36 -4.257 -7.321 -1.069 1.00 0.00 C ATOM 571 C ARG A 36 -4.840 -7.726 0.301 1.00 0.00 C ATOM 572 O ARG A 36 -6.052 -7.674 0.495 1.00 0.00 O ATOM 573 CB ARG A 36 -5.331 -7.475 -2.161 1.00 0.00 C ATOM 574 CG ARG A 36 -4.874 -7.627 -3.612 1.00 0.00 C ATOM 575 CD ARG A 36 -6.123 -7.534 -4.506 1.00 0.00 C ATOM 576 NE ARG A 36 -5.963 -8.285 -5.747 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.087 -9.593 -5.929 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.487 -10.415 -4.981 1.00 0.00 N ATOM 579 NH2 ARG A 36 -5.791 -10.078 -7.111 1.00 0.00 N ATOM 0 H ARG A 36 -2.211 -7.368 -1.468 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.978 -6.268 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.937 -8.346 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.986 -6.605 -2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.158 -6.847 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.370 -8.583 -3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.988 -7.913 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.326 -6.489 -4.738 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.727 -7.738 -6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.718 -10.053 -4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.566 -11.414 -5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.477 -9.454 -7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.875 -11.079 -7.287 1.00 0.00 H new ATOM 593 N ASP A 37 -3.998 -8.123 1.253 1.00 0.00 N ATOM 594 CA ASP A 37 -4.388 -8.542 2.608 1.00 0.00 C ATOM 595 C ASP A 37 -3.920 -7.511 3.638 1.00 0.00 C ATOM 596 O ASP A 37 -2.717 -7.259 3.764 1.00 0.00 O ATOM 597 CB ASP A 37 -3.816 -9.936 2.918 1.00 0.00 C ATOM 598 CG ASP A 37 -4.078 -10.416 4.359 1.00 0.00 C ATOM 599 OD1 ASP A 37 -4.991 -9.888 5.038 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.337 -11.322 4.809 1.00 0.00 O ATOM 0 H ASP A 37 -2.990 -8.165 1.102 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.475 -8.602 2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.246 -10.657 2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.741 -9.924 2.740 1.00 0.00 H new ATOM 605 N THR A 38 -4.869 -6.907 4.367 1.00 0.00 N ATOM 606 CA THR A 38 -4.548 -5.893 5.386 1.00 0.00 C ATOM 607 C THR A 38 -3.823 -6.496 6.582 1.00 0.00 C ATOM 608 O THR A 38 -3.033 -5.805 7.211 1.00 0.00 O ATOM 609 CB THR A 38 -5.761 -5.096 5.880 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.719 -5.925 6.476 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.472 -4.315 4.784 1.00 0.00 C ATOM 0 H THR A 38 -5.866 -7.102 4.271 1.00 0.00 H new ATOM 0 HA THR A 38 -3.888 -5.194 4.872 1.00 0.00 H new ATOM 0 HB THR A 38 -5.340 -4.396 6.601 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.392 -5.375 6.928 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.319 -3.777 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.779 -3.603 4.336 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.829 -5.004 4.019 1.00 0.00 H new ATOM 619 N SER A 39 -4.015 -7.782 6.879 1.00 0.00 N ATOM 620 CA SER A 39 -3.374 -8.466 8.008 1.00 0.00 C ATOM 621 C SER A 39 -1.902 -8.851 7.746 1.00 0.00 C ATOM 622 O SER A 39 -1.231 -9.378 8.636 1.00 0.00 O ATOM 623 CB SER A 39 -4.175 -9.725 8.372 1.00 0.00 C ATOM 624 OG SER A 39 -5.493 -9.425 8.815 1.00 0.00 O ATOM 0 H SER A 39 -4.629 -8.389 6.335 1.00 0.00 H new ATOM 0 HA SER A 39 -3.368 -7.756 8.835 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.228 -10.381 7.503 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.649 -10.273 9.154 1.00 0.00 H new ATOM 0 HG SER A 39 -5.962 -10.257 9.033 1.00 0.00 H new ATOM 630 N LYS A 40 -1.378 -8.616 6.535 1.00 0.00 N ATOM 631 CA LYS A 40 -0.045 -9.065 6.123 1.00 0.00 C ATOM 632 C LYS A 40 1.095 -8.253 6.777 1.00 0.00 C ATOM 633 O LYS A 40 1.025 -7.022 6.879 1.00 0.00 O ATOM 634 CB LYS A 40 0.030 -9.016 4.588 1.00 0.00 C ATOM 635 CG LYS A 40 1.235 -9.768 3.993 1.00 0.00 C ATOM 636 CD LYS A 40 1.188 -11.301 4.124 1.00 0.00 C ATOM 637 CE LYS A 40 -0.102 -11.960 3.603 1.00 0.00 C ATOM 638 NZ LYS A 40 -0.349 -11.709 2.157 1.00 0.00 N ATOM 0 H LYS A 40 -1.875 -8.103 5.807 1.00 0.00 H new ATOM 0 HA LYS A 40 0.100 -10.088 6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.887 -9.438 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.072 -7.974 4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.315 -9.513 2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.142 -9.407 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.037 -11.723 3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.314 -11.565 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.047 -13.035 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.950 -11.589 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.163 -12.273 1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.549 -10.699 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.493 -11.979 1.609 1.00 0.00 H new ATOM 652 N THR A 41 2.185 -8.948 7.125 1.00 0.00 N ATOM 653 CA THR A 41 3.408 -8.398 7.738 1.00 0.00 C ATOM 654 C THR A 41 4.655 -9.122 7.265 1.00 0.00 C ATOM 655 O THR A 41 4.599 -10.301 6.914 1.00 0.00 O ATOM 656 CB THR A 41 3.382 -8.455 9.275 1.00 0.00 C ATOM 657 OG1 THR A 41 3.054 -9.757 9.712 1.00 0.00 O ATOM 658 CG2 THR A 41 2.424 -7.481 9.949 1.00 0.00 C ATOM 0 H THR A 41 2.245 -9.956 6.982 1.00 0.00 H new ATOM 0 HA THR A 41 3.437 -7.356 7.419 1.00 0.00 H new ATOM 0 HB THR A 41 4.390 -8.162 9.570 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.043 -9.780 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.483 -7.603 11.031 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.697 -6.460 9.683 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.406 -7.683 9.616 1.00 0.00 H new ATOM 666 N ASN A 42 5.789 -8.425 7.333 1.00 0.00 N ATOM 667 CA ASN A 42 7.115 -8.939 6.979 1.00 0.00 C ATOM 668 C ASN A 42 8.216 -8.292 7.843 1.00 0.00 C ATOM 669 O ASN A 42 8.256 -7.067 7.983 1.00 0.00 O ATOM 670 CB ASN A 42 7.381 -8.671 5.488 1.00 0.00 C ATOM 671 CG ASN A 42 6.640 -9.627 4.559 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.079 -10.746 4.313 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.519 -9.212 3.996 1.00 0.00 N ATOM 0 H ASN A 42 5.812 -7.455 7.646 1.00 0.00 H new ATOM 0 HA ASN A 42 7.135 -10.012 7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.088 -7.648 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.452 -8.748 5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.014 -9.823 3.354 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.158 -8.281 4.204 1.00 0.00 H new ATOM 680 N THR A 43 9.110 -9.100 8.428 1.00 0.00 N ATOM 681 CA THR A 43 10.237 -8.646 9.269 1.00 0.00 C ATOM 682 C THR A 43 11.459 -8.352 8.399 1.00 0.00 C ATOM 683 O THR A 43 11.710 -9.058 7.422 1.00 0.00 O ATOM 684 CB THR A 43 10.590 -9.711 10.318 1.00 0.00 C ATOM 685 OG1 THR A 43 9.411 -10.173 10.940 1.00 0.00 O ATOM 686 CG2 THR A 43 11.494 -9.163 11.422 1.00 0.00 C ATOM 0 H THR A 43 9.073 -10.115 8.330 1.00 0.00 H new ATOM 0 HA THR A 43 9.936 -7.733 9.783 1.00 0.00 H new ATOM 0 HB THR A 43 11.112 -10.509 9.789 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.638 -10.854 11.608 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.714 -9.955 12.138 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.424 -8.800 10.984 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.989 -8.343 11.932 1.00 0.00 H new ATOM 694 N ASN A 44 12.233 -7.332 8.768 1.00 0.00 N ATOM 695 CA ASN A 44 13.460 -6.909 8.078 1.00 0.00 C ATOM 696 C ASN A 44 14.717 -7.250 8.900 1.00 0.00 C ATOM 697 O ASN A 44 14.665 -7.351 10.130 1.00 0.00 O ATOM 698 CB ASN A 44 13.404 -5.395 7.801 1.00 0.00 C ATOM 699 CG ASN A 44 12.205 -4.995 6.947 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.288 -4.913 5.727 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.076 -4.731 7.572 1.00 0.00 N ATOM 0 H ASN A 44 12.020 -6.756 9.582 1.00 0.00 H new ATOM 0 HA ASN A 44 13.523 -7.452 7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.365 -4.858 8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.321 -5.088 7.298 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.251 -4.453 7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.026 -4.805 8.588 1.00 0.00 H new ATOM 708 N ARG A 45 15.874 -7.345 8.231 1.00 0.00 N ATOM 709 CA ARG A 45 17.185 -7.625 8.860 1.00 0.00 C ATOM 710 C ARG A 45 17.619 -6.546 9.872 1.00 0.00 C ATOM 711 O ARG A 45 18.376 -6.821 10.802 1.00 0.00 O ATOM 712 CB ARG A 45 18.272 -7.791 7.783 1.00 0.00 C ATOM 713 CG ARG A 45 17.943 -8.913 6.790 1.00 0.00 C ATOM 714 CD ARG A 45 19.101 -9.150 5.813 1.00 0.00 C ATOM 715 NE ARG A 45 18.782 -10.230 4.862 1.00 0.00 N ATOM 716 CZ ARG A 45 19.574 -10.690 3.900 1.00 0.00 C ATOM 717 NH1 ARG A 45 20.779 -10.198 3.691 1.00 0.00 N ATOM 718 NH2 ARG A 45 19.158 -11.667 3.122 1.00 0.00 N ATOM 0 H ARG A 45 15.933 -7.228 7.219 1.00 0.00 H new ATOM 0 HA ARG A 45 17.063 -8.554 9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.389 -6.853 7.241 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.227 -8.003 8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.730 -9.833 7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.042 -8.656 6.233 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.313 -8.231 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.003 -9.406 6.369 1.00 0.00 H new ATOM 0 HE ARG A 45 17.864 -10.666 4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.129 -9.440 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.361 -10.575 2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.230 -12.068 3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.763 -12.023 2.382 1.00 0.00 H new ATOM 732 N ASN A 46 17.089 -5.330 9.716 1.00 0.00 N ATOM 733 CA ASN A 46 17.257 -4.197 10.636 1.00 0.00 C ATOM 734 C ASN A 46 16.548 -4.380 12.004 1.00 0.00 C ATOM 735 O ASN A 46 16.875 -3.682 12.967 1.00 0.00 O ATOM 736 CB ASN A 46 16.742 -2.944 9.902 1.00 0.00 C ATOM 737 CG ASN A 46 16.866 -1.672 10.735 1.00 0.00 C ATOM 738 OD1 ASN A 46 17.956 -1.175 10.992 1.00 0.00 O ATOM 739 ND2 ASN A 46 15.754 -1.116 11.183 1.00 0.00 N ATOM 0 H ASN A 46 16.506 -5.096 8.912 1.00 0.00 H new ATOM 0 HA ASN A 46 18.312 -4.109 10.894 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.299 -2.819 8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.697 -3.093 9.630 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.799 -0.267 11.747 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.850 -1.536 10.965 1.00 0.00 H new ATOM 746 N GLY A 47 15.577 -5.300 12.103 1.00 0.00 N ATOM 747 CA GLY A 47 14.738 -5.526 13.294 1.00 0.00 C ATOM 748 C GLY A 47 13.412 -4.754 13.287 1.00 0.00 C ATOM 749 O GLY A 47 12.611 -4.904 14.208 1.00 0.00 O ATOM 0 H GLY A 47 15.345 -5.928 11.333 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.524 -6.592 13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.304 -5.245 14.182 1.00 0.00 H new ATOM 753 N SER A 48 13.158 -3.945 12.259 1.00 0.00 N ATOM 754 CA SER A 48 11.866 -3.304 11.988 1.00 0.00 C ATOM 755 C SER A 48 10.940 -4.235 11.180 1.00 0.00 C ATOM 756 O SER A 48 11.390 -5.168 10.506 1.00 0.00 O ATOM 757 CB SER A 48 12.100 -1.967 11.261 1.00 0.00 C ATOM 758 OG SER A 48 12.971 -2.113 10.141 1.00 0.00 O ATOM 0 H SER A 48 13.869 -3.708 11.567 1.00 0.00 H new ATOM 0 HA SER A 48 11.363 -3.103 12.934 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.144 -1.564 10.927 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.524 -1.245 11.958 1.00 0.00 H new ATOM 0 HG SER A 48 13.093 -1.243 9.706 1.00 0.00 H new ATOM 764 N LYS A 49 9.630 -3.990 11.226 1.00 0.00 N ATOM 765 CA LYS A 49 8.604 -4.799 10.554 1.00 0.00 C ATOM 766 C LYS A 49 7.703 -3.924 9.665 1.00 0.00 C ATOM 767 O LYS A 49 7.507 -2.730 9.910 1.00 0.00 O ATOM 768 CB LYS A 49 7.788 -5.582 11.605 1.00 0.00 C ATOM 769 CG LYS A 49 7.194 -6.914 11.124 1.00 0.00 C ATOM 770 CD LYS A 49 6.227 -7.468 12.185 1.00 0.00 C ATOM 771 CE LYS A 49 5.830 -8.932 11.942 1.00 0.00 C ATOM 772 NZ LYS A 49 6.899 -9.882 12.344 1.00 0.00 N ATOM 0 H LYS A 49 9.240 -3.203 11.745 1.00 0.00 H new ATOM 0 HA LYS A 49 9.092 -5.518 9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.430 -5.780 12.464 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.974 -4.947 11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.668 -6.768 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.992 -7.632 10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.690 -7.383 13.168 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.327 -6.853 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.920 -9.156 12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.600 -9.073 10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.522 -10.851 12.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.692 -9.815 11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.232 -9.646 13.301 1.00 0.00 H new ATOM 786 N ASP A 50 7.164 -4.551 8.629 1.00 0.00 N ATOM 787 CA ASP A 50 6.254 -3.981 7.642 1.00 0.00 C ATOM 788 C ASP A 50 4.810 -4.400 7.957 1.00 0.00 C ATOM 789 O ASP A 50 4.595 -5.521 8.414 1.00 0.00 O ATOM 790 CB ASP A 50 6.634 -4.507 6.250 1.00 0.00 C ATOM 791 CG ASP A 50 8.071 -4.215 5.781 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.781 -3.377 6.390 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.499 -4.857 4.793 1.00 0.00 O ATOM 0 H ASP A 50 7.362 -5.534 8.442 1.00 0.00 H new ATOM 0 HA ASP A 50 6.328 -2.894 7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.483 -5.586 6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.943 -4.081 5.523 1.00 0.00 H new ATOM 798 N TYR A 51 3.831 -3.526 7.706 1.00 0.00 N ATOM 799 CA TYR A 51 2.422 -3.702 8.093 1.00 0.00 C ATOM 800 C TYR A 51 1.433 -3.151 7.051 1.00 0.00 C ATOM 801 O TYR A 51 1.714 -2.165 6.364 1.00 0.00 O ATOM 802 CB TYR A 51 2.163 -2.972 9.421 1.00 0.00 C ATOM 803 CG TYR A 51 2.985 -3.415 10.613 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.267 -2.871 10.820 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.440 -4.294 11.568 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.001 -3.205 11.969 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.168 -4.634 12.723 1.00 0.00 C ATOM 808 CZ TYR A 51 4.454 -4.084 12.930 1.00 0.00 C ATOM 809 OH TYR A 51 5.167 -4.397 14.048 1.00 0.00 O ATOM 0 H TYR A 51 3.999 -2.649 7.213 1.00 0.00 H new ATOM 0 HA TYR A 51 2.257 -4.776 8.179 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.338 -1.908 9.264 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.109 -3.088 9.673 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.688 -2.194 10.091 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.456 -4.711 11.413 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.986 -2.789 12.119 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.746 -5.313 13.449 1.00 0.00 H new ATOM 0 HH TYR A 51 4.647 -5.012 14.606 1.00 0.00 H new ATOM 819 N GLY A 52 0.242 -3.750 6.963 1.00 0.00 N ATOM 820 CA GLY A 52 -0.857 -3.245 6.132 1.00 0.00 C ATOM 821 C GLY A 52 -0.665 -3.492 4.637 1.00 0.00 C ATOM 822 O GLY A 52 0.333 -4.062 4.205 1.00 0.00 O ATOM 0 H GLY A 52 0.011 -4.605 7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.787 -3.715 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.966 -2.174 6.302 1.00 0.00 H new ATOM 826 N LEU A 53 -1.617 -3.014 3.834 1.00 0.00 N ATOM 827 CA LEU A 53 -1.742 -3.339 2.404 1.00 0.00 C ATOM 828 C LEU A 53 -0.624 -2.848 1.476 1.00 0.00 C ATOM 829 O LEU A 53 -0.512 -3.311 0.341 1.00 0.00 O ATOM 830 CB LEU A 53 -3.082 -2.765 1.908 1.00 0.00 C ATOM 831 CG LEU A 53 -3.791 -3.741 0.964 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.710 -4.641 1.777 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.653 -3.010 -0.050 1.00 0.00 C ATOM 0 H LEU A 53 -2.341 -2.375 4.163 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.675 -4.426 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.725 -2.549 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.907 -1.820 1.393 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.024 -4.312 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.218 -5.339 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.122 -5.198 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.449 -4.032 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.140 -3.734 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.410 -2.424 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.028 -2.346 -0.647 1.00 0.00 H new ATOM 845 N PHE A 54 0.214 -1.940 1.964 1.00 0.00 N ATOM 846 CA PHE A 54 1.368 -1.397 1.248 1.00 0.00 C ATOM 847 C PHE A 54 2.692 -1.794 1.932 1.00 0.00 C ATOM 848 O PHE A 54 3.723 -1.193 1.638 1.00 0.00 O ATOM 849 CB PHE A 54 1.175 0.123 1.098 1.00 0.00 C ATOM 850 CG PHE A 54 -0.072 0.533 0.329 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.318 0.593 0.983 1.00 0.00 C ATOM 852 CD2 PHE A 54 0.007 0.860 -1.037 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.478 0.955 0.279 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.152 1.247 -1.736 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.395 1.291 -1.081 1.00 0.00 C ATOM 0 H PHE A 54 0.107 -1.547 2.899 1.00 0.00 H new ATOM 0 HA PHE A 54 1.435 -1.826 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.136 0.570 2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.048 0.538 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.382 0.359 2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.957 0.814 -1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.433 0.975 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.086 1.511 -2.781 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.283 1.582 -1.622 1.00 0.00 H new ATOM 865 N GLN A 55 2.662 -2.770 2.855 1.00 0.00 N ATOM 866 CA GLN A 55 3.800 -3.246 3.655 1.00 0.00 C ATOM 867 C GLN A 55 4.629 -2.072 4.230 1.00 0.00 C ATOM 868 O GLN A 55 5.816 -1.897 3.943 1.00 0.00 O ATOM 869 CB GLN A 55 4.653 -4.260 2.855 1.00 0.00 C ATOM 870 CG GLN A 55 4.080 -5.676 2.705 1.00 0.00 C ATOM 871 CD GLN A 55 3.509 -6.262 3.995 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.222 -6.783 4.841 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.214 -6.188 4.212 1.00 0.00 N ATOM 0 H GLN A 55 1.801 -3.272 3.073 1.00 0.00 H new ATOM 0 HA GLN A 55 3.408 -3.782 4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.819 -3.853 1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.629 -4.337 3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.295 -5.660 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.865 -6.336 2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.604 -5.757 3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.819 -6.562 5.075 1.00 0.00 H new ATOM 882 N ILE A 56 3.973 -1.219 5.018 1.00 0.00 N ATOM 883 CA ILE A 56 4.516 0.050 5.520 1.00 0.00 C ATOM 884 C ILE A 56 5.355 -0.198 6.779 1.00 0.00 C ATOM 885 O ILE A 56 4.897 -0.865 7.705 1.00 0.00 O ATOM 886 CB ILE A 56 3.372 1.058 5.786 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.414 1.123 4.571 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.972 2.439 6.059 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.322 2.194 4.628 1.00 0.00 C ATOM 0 H ILE A 56 3.020 -1.395 5.336 1.00 0.00 H new ATOM 0 HA ILE A 56 5.169 0.485 4.763 1.00 0.00 H new ATOM 0 HB ILE A 56 2.800 0.731 6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.010 1.289 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.935 0.150 4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.170 3.153 6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.623 2.387 6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.550 2.762 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.715 2.143 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.690 2.024 5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.782 3.179 4.701 1.00 0.00 H new ATOM 901 N ASN A 57 6.575 0.340 6.821 1.00 0.00 N ATOM 902 CA ASN A 57 7.548 0.031 7.869 1.00 0.00 C ATOM 903 C ASN A 57 7.474 0.993 9.068 1.00 0.00 C ATOM 904 O ASN A 57 7.375 2.214 8.906 1.00 0.00 O ATOM 905 CB ASN A 57 8.948 0.032 7.253 1.00 0.00 C ATOM 906 CG ASN A 57 9.995 -0.495 8.222 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.535 0.239 9.035 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.308 -1.771 8.164 1.00 0.00 N ATOM 0 H ASN A 57 6.917 1.004 6.127 1.00 0.00 H new ATOM 0 HA ASN A 57 7.310 -0.954 8.269 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.948 -0.580 6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.211 1.046 6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.006 -2.154 8.801 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.852 -2.377 7.482 1.00 0.00 H new ATOM 915 N ASP A 58 7.582 0.432 10.276 1.00 0.00 N ATOM 916 CA ASP A 58 7.444 1.147 11.555 1.00 0.00 C ATOM 917 C ASP A 58 8.536 2.190 11.881 1.00 0.00 C ATOM 918 O ASP A 58 8.408 2.957 12.840 1.00 0.00 O ATOM 919 CB ASP A 58 7.327 0.142 12.707 1.00 0.00 C ATOM 920 CG ASP A 58 8.668 -0.469 13.144 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.055 -1.531 12.608 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.315 0.090 14.059 1.00 0.00 O ATOM 0 H ASP A 58 7.774 -0.562 10.398 1.00 0.00 H new ATOM 0 HA ASP A 58 6.533 1.733 11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.870 0.638 13.563 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.654 -0.661 12.407 1.00 0.00 H new ATOM 927 N ARG A 59 9.619 2.213 11.099 1.00 0.00 N ATOM 928 CA ARG A 59 10.769 3.095 11.307 1.00 0.00 C ATOM 929 C ARG A 59 10.573 4.494 10.706 1.00 0.00 C ATOM 930 O ARG A 59 11.243 5.436 11.134 1.00 0.00 O ATOM 931 CB ARG A 59 11.997 2.390 10.709 1.00 0.00 C ATOM 932 CG ARG A 59 13.342 3.031 11.067 1.00 0.00 C ATOM 933 CD ARG A 59 14.481 2.118 10.601 1.00 0.00 C ATOM 934 NE ARG A 59 15.745 2.436 11.288 1.00 0.00 N ATOM 935 CZ ARG A 59 16.974 2.368 10.784 1.00 0.00 C ATOM 936 NH1 ARG A 59 17.203 2.059 9.524 1.00 0.00 N ATOM 937 NH2 ARG A 59 18.007 2.613 11.559 1.00 0.00 N ATOM 0 H ARG A 59 9.722 1.605 10.286 1.00 0.00 H new ATOM 0 HA ARG A 59 10.901 3.268 12.375 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.003 1.353 11.046 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.896 2.372 9.624 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.429 4.009 10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.406 3.191 12.143 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.215 1.078 10.790 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.615 2.222 9.524 1.00 0.00 H new ATOM 0 HE ARG A 59 15.669 2.742 12.258 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.423 1.862 8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.161 2.017 9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.863 2.853 12.540 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.952 2.563 11.180 1.00 0.00 H new ATOM 951 N TYR A 60 9.628 4.664 9.774 1.00 0.00 N ATOM 952 CA TYR A 60 9.528 5.869 8.937 1.00 0.00 C ATOM 953 C TYR A 60 8.120 6.476 8.829 1.00 0.00 C ATOM 954 O TYR A 60 7.919 7.638 9.193 1.00 0.00 O ATOM 955 CB TYR A 60 10.055 5.495 7.537 1.00 0.00 C ATOM 956 CG TYR A 60 11.492 4.997 7.510 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.550 5.867 7.839 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.773 3.657 7.175 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.883 5.415 7.803 1.00 0.00 C ATOM 960 CE2 TYR A 60 13.104 3.197 7.136 1.00 0.00 C ATOM 961 CZ TYR A 60 14.164 4.078 7.442 1.00 0.00 C ATOM 962 OH TYR A 60 15.450 3.632 7.402 1.00 0.00 O ATOM 0 H TYR A 60 8.908 3.969 9.577 1.00 0.00 H new ATOM 0 HA TYR A 60 10.120 6.649 9.415 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.410 4.724 7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.975 6.368 6.889 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.337 6.888 8.121 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.964 2.979 6.947 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.690 6.089 8.051 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.313 2.171 6.872 1.00 0.00 H new ATOM 0 HH TYR A 60 15.461 2.689 7.136 1.00 0.00 H new ATOM 972 N TRP A 61 7.145 5.699 8.352 1.00 0.00 N ATOM 973 CA TRP A 61 5.831 6.203 7.936 1.00 0.00 C ATOM 974 C TRP A 61 4.742 5.975 8.993 1.00 0.00 C ATOM 975 O TRP A 61 4.078 6.927 9.409 1.00 0.00 O ATOM 976 CB TRP A 61 5.495 5.524 6.603 1.00 0.00 C ATOM 977 CG TRP A 61 6.580 5.528 5.569 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.238 4.428 5.134 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.141 6.649 4.818 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.201 4.796 4.216 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.160 6.148 3.950 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.861 8.031 4.738 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.862 6.971 3.056 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.538 8.862 3.824 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.540 8.338 2.988 1.00 0.00 C ATOM 0 H TRP A 61 7.245 4.690 8.242 1.00 0.00 H new ATOM 0 HA TRP A 61 5.870 7.286 7.817 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.218 4.489 6.805 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.617 6.013 6.181 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.040 3.416 5.456 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.861 4.148 3.787 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.114 8.459 5.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.639 6.560 2.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.285 9.910 3.765 1.00 0.00 H new ATOM 0 HH2 TRP A 61 9.061 8.983 2.296 1.00 0.00 H new ATOM 996 N CYS A 62 4.601 4.731 9.465 1.00 0.00 N ATOM 997 CA CYS A 62 3.780 4.350 10.620 1.00 0.00 C ATOM 998 C CYS A 62 4.636 4.129 11.880 1.00 0.00 C ATOM 999 O CYS A 62 5.846 3.961 11.786 1.00 0.00 O ATOM 1000 CB CYS A 62 2.966 3.094 10.281 1.00 0.00 C ATOM 1001 SG CYS A 62 3.910 1.738 9.542 1.00 0.00 S ATOM 0 H CYS A 62 5.072 3.934 9.038 1.00 0.00 H new ATOM 0 HA CYS A 62 3.097 5.170 10.841 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.493 2.731 11.193 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.166 3.374 9.596 1.00 0.00 H new ATOM 0 HG CYS A 62 3.116 0.736 9.303 1.00 0.00 H new ATOM 1006 N SER A 63 4.014 4.128 13.060 1.00 0.00 N ATOM 1007 CA SER A 63 4.654 3.931 14.374 1.00 0.00 C ATOM 1008 C SER A 63 4.281 2.585 15.020 1.00 0.00 C ATOM 1009 O SER A 63 3.109 2.200 15.021 1.00 0.00 O ATOM 1010 CB SER A 63 4.215 5.055 15.324 1.00 0.00 C ATOM 1011 OG SER A 63 4.982 5.012 16.518 1.00 0.00 O ATOM 0 H SER A 63 3.007 4.270 13.136 1.00 0.00 H new ATOM 0 HA SER A 63 5.731 3.941 14.209 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.339 6.022 14.837 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.156 4.950 15.559 1.00 0.00 H new ATOM 0 HG SER A 63 4.696 5.733 17.117 1.00 0.00 H new ATOM 1017 N LYS A 64 5.261 1.888 15.611 1.00 0.00 N ATOM 1018 CA LYS A 64 5.066 0.619 16.339 1.00 0.00 C ATOM 1019 C LYS A 64 4.456 0.760 17.752 1.00 0.00 C ATOM 1020 O LYS A 64 4.124 -0.253 18.374 1.00 0.00 O ATOM 1021 CB LYS A 64 6.408 -0.138 16.447 1.00 0.00 C ATOM 1022 CG LYS A 64 7.531 0.672 17.133 1.00 0.00 C ATOM 1023 CD LYS A 64 8.405 -0.176 18.073 1.00 0.00 C ATOM 1024 CE LYS A 64 9.076 -1.388 17.409 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.158 -0.999 16.471 1.00 0.00 N ATOM 0 H LYS A 64 6.234 2.194 15.598 1.00 0.00 H new ATOM 0 HA LYS A 64 4.337 0.065 15.748 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.249 -1.062 17.003 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.736 -0.420 15.447 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.163 1.123 16.368 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.086 1.489 17.701 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.179 0.461 18.500 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.789 -0.528 18.901 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.486 -2.039 18.181 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.324 -1.965 16.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.760 -1.824 16.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.740 -0.655 15.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.733 -0.245 16.898 1.00 0.00 H new ATOM 1039 N GLY A 65 4.365 1.985 18.286 1.00 0.00 N ATOM 1040 CA GLY A 65 3.986 2.249 19.682 1.00 0.00 C ATOM 1041 C GLY A 65 2.489 2.068 19.952 1.00 0.00 C ATOM 1042 O GLY A 65 1.752 1.540 19.121 1.00 0.00 O ATOM 0 H GLY A 65 4.555 2.834 17.753 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.548 1.582 20.335 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.274 3.268 19.942 1.00 0.00 H new ATOM 1046 N ALA A 66 2.029 2.526 21.121 1.00 0.00 N ATOM 1047 CA ALA A 66 0.609 2.504 21.507 1.00 0.00 C ATOM 1048 C ALA A 66 -0.222 3.651 20.886 1.00 0.00 C ATOM 1049 O ALA A 66 -1.453 3.606 20.910 1.00 0.00 O ATOM 1050 CB ALA A 66 0.523 2.504 23.037 1.00 0.00 C ATOM 0 H ALA A 66 2.636 2.927 21.835 1.00 0.00 H new ATOM 0 HA ALA A 66 0.163 1.595 21.105 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.523 2.488 23.343 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.029 1.622 23.430 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.001 3.402 23.428 1.00 0.00 H new ATOM 1056 N SER A 67 0.438 4.624 20.256 1.00 0.00 N ATOM 1057 CA SER A 67 -0.151 5.829 19.650 1.00 0.00 C ATOM 1058 C SER A 67 0.543 6.164 18.309 1.00 0.00 C ATOM 1059 O SER A 67 1.724 5.829 18.141 1.00 0.00 O ATOM 1060 CB SER A 67 -0.003 7.022 20.612 1.00 0.00 C ATOM 1061 OG SER A 67 -0.761 6.835 21.802 1.00 0.00 O ATOM 0 H SER A 67 1.452 4.595 20.147 1.00 0.00 H new ATOM 0 HA SER A 67 -1.207 5.636 19.461 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.048 7.156 20.867 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.328 7.935 20.113 1.00 0.00 H new ATOM 0 HG SER A 67 -0.643 7.610 22.390 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.152 6.820 17.355 1.00 0.00 N ATOM 1068 CA PRO A 68 0.446 7.300 16.108 1.00 0.00 C ATOM 1069 C PRO A 68 1.427 8.454 16.379 1.00 0.00 C ATOM 1070 O PRO A 68 1.297 9.164 17.379 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.737 7.750 15.247 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.772 8.201 16.273 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.557 7.211 17.417 1.00 0.00 C ATOM 0 HA PRO A 68 1.031 6.529 15.607 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.458 8.561 14.574 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.114 6.937 14.627 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.607 9.230 16.591 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.786 8.149 15.876 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.792 7.669 18.378 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.208 6.344 17.309 1.00 0.00 H new ATOM 1081 N GLY A 69 2.412 8.645 15.491 1.00 0.00 N ATOM 1082 CA GLY A 69 3.480 9.638 15.712 1.00 0.00 C ATOM 1083 C GLY A 69 4.719 9.499 14.827 1.00 0.00 C ATOM 1084 O GLY A 69 5.843 9.668 15.300 1.00 0.00 O ATOM 0 H GLY A 69 2.494 8.129 14.615 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.060 10.633 15.562 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.794 9.579 16.754 1.00 0.00 H new ATOM 1088 N LYS A 70 4.510 9.204 13.542 1.00 0.00 N ATOM 1089 CA LYS A 70 5.539 9.100 12.491 1.00 0.00 C ATOM 1090 C LYS A 70 5.148 9.964 11.270 1.00 0.00 C ATOM 1091 O LYS A 70 4.171 10.712 11.346 1.00 0.00 O ATOM 1092 CB LYS A 70 5.754 7.600 12.187 1.00 0.00 C ATOM 1093 CG LYS A 70 6.700 6.932 13.204 1.00 0.00 C ATOM 1094 CD LYS A 70 8.175 7.140 12.843 1.00 0.00 C ATOM 1095 CE LYS A 70 9.081 6.468 13.883 1.00 0.00 C ATOM 1096 NZ LYS A 70 10.520 6.740 13.622 1.00 0.00 N ATOM 0 H LYS A 70 3.573 9.021 13.183 1.00 0.00 H new ATOM 0 HA LYS A 70 6.499 9.503 12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.792 7.087 12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.165 7.489 11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.510 7.339 14.197 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.486 5.864 13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.376 6.726 11.855 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.397 8.206 12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.819 6.826 14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.907 5.392 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.093 6.356 14.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.802 6.288 12.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.673 7.767 13.554 1.00 0.00 H new ATOM 1110 N ASP A 71 5.883 9.903 10.151 1.00 0.00 N ATOM 1111 CA ASP A 71 5.737 10.847 9.022 1.00 0.00 C ATOM 1112 C ASP A 71 4.324 10.916 8.406 1.00 0.00 C ATOM 1113 O ASP A 71 3.927 11.961 7.887 1.00 0.00 O ATOM 1114 CB ASP A 71 6.778 10.506 7.946 1.00 0.00 C ATOM 1115 CG ASP A 71 6.782 11.544 6.814 1.00 0.00 C ATOM 1116 OD1 ASP A 71 7.378 12.631 6.995 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.171 11.279 5.754 1.00 0.00 O ATOM 0 H ASP A 71 6.601 9.195 9.998 1.00 0.00 H new ATOM 0 HA ASP A 71 5.907 11.842 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.768 10.457 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.567 9.519 7.535 1.00 0.00 H new ATOM 1122 N CYS A 72 3.543 9.835 8.515 1.00 0.00 N ATOM 1123 CA CYS A 72 2.165 9.747 8.010 1.00 0.00 C ATOM 1124 C CYS A 72 1.091 9.796 9.114 1.00 0.00 C ATOM 1125 O CYS A 72 -0.088 9.595 8.825 1.00 0.00 O ATOM 1126 CB CYS A 72 2.059 8.502 7.132 1.00 0.00 C ATOM 1127 SG CYS A 72 3.245 8.491 5.759 1.00 0.00 S ATOM 0 H CYS A 72 3.857 8.976 8.967 1.00 0.00 H new ATOM 0 HA CYS A 72 1.955 10.636 7.415 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.218 7.617 7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.048 8.434 6.731 1.00 0.00 H new ATOM 0 HG CYS A 72 4.414 8.132 6.199 1.00 0.00 H new ATOM 1132 N ASN A 73 1.479 10.055 10.373 1.00 0.00 N ATOM 1133 CA ASN A 73 0.587 10.283 11.520 1.00 0.00 C ATOM 1134 C ASN A 73 -0.395 9.112 11.748 1.00 0.00 C ATOM 1135 O ASN A 73 -1.608 9.292 11.872 1.00 0.00 O ATOM 1136 CB ASN A 73 -0.086 11.664 11.391 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.808 12.100 12.669 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.464 11.706 13.778 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.829 12.932 12.550 1.00 0.00 N ATOM 0 H ASN A 73 2.464 10.114 10.630 1.00 0.00 H new ATOM 0 HA ASN A 73 1.181 10.305 12.434 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.669 12.407 11.135 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.800 11.639 10.568 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.330 13.246 13.381 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.115 13.260 11.627 1.00 0.00 H new ATOM 1146 N VAL A 74 0.149 7.892 11.761 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.598 6.627 11.787 1.00 0.00 C ATOM 1148 C VAL A 74 0.218 5.535 12.491 1.00 0.00 C ATOM 1149 O VAL A 74 1.447 5.583 12.536 1.00 0.00 O ATOM 1150 CB VAL A 74 -1.037 6.239 10.353 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.152 5.867 9.452 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.073 5.107 10.363 1.00 0.00 C ATOM 0 H VAL A 74 1.159 7.751 11.753 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.510 6.749 12.371 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.503 7.129 9.930 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.212 5.604 8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.831 6.717 9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.682 5.017 9.881 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.356 4.864 9.339 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.644 4.226 10.840 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.956 5.427 10.917 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.478 4.567 13.078 1.00 0.00 N ATOM 1163 CA LYS A 75 0.072 3.474 13.883 1.00 0.00 C ATOM 1164 C LYS A 75 0.021 2.142 13.112 1.00 0.00 C ATOM 1165 O LYS A 75 -0.993 1.826 12.493 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.765 3.443 15.171 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.099 2.718 16.346 1.00 0.00 C ATOM 1168 CD LYS A 75 -0.975 2.837 17.601 1.00 0.00 C ATOM 1169 CE LYS A 75 -2.158 1.864 17.632 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.134 2.229 18.694 1.00 0.00 N ATOM 0 H LYS A 75 -1.494 4.518 13.003 1.00 0.00 H new ATOM 0 HA LYS A 75 1.125 3.627 14.117 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.985 4.468 15.471 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.719 2.961 14.957 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.053 1.668 16.097 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.885 3.146 16.537 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.355 2.667 18.481 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.355 3.856 17.671 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.656 1.864 16.663 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.794 0.851 17.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.606 1.370 19.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.635 2.692 19.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.844 2.881 18.304 1.00 0.00 H new ATOM 1184 N CYS A 76 1.093 1.345 13.158 1.00 0.00 N ATOM 1185 CA CYS A 76 1.224 0.053 12.453 1.00 0.00 C ATOM 1186 C CYS A 76 0.046 -0.910 12.684 1.00 0.00 C ATOM 1187 O CYS A 76 -0.376 -1.600 11.762 1.00 0.00 O ATOM 1188 CB CYS A 76 2.515 -0.617 12.929 1.00 0.00 C ATOM 1189 SG CYS A 76 4.012 0.320 12.583 1.00 0.00 S ATOM 0 H CYS A 76 1.922 1.583 13.702 1.00 0.00 H new ATOM 0 HA CYS A 76 1.236 0.268 11.385 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.447 -0.786 14.004 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.597 -1.596 12.457 1.00 0.00 H new ATOM 0 HG CYS A 76 3.929 0.849 11.398 1.00 0.00 H new ATOM 1194 N SER A 77 -0.518 -0.932 13.894 1.00 0.00 N ATOM 1195 CA SER A 77 -1.662 -1.794 14.236 1.00 0.00 C ATOM 1196 C SER A 77 -2.982 -1.335 13.579 1.00 0.00 C ATOM 1197 O SER A 77 -3.795 -2.169 13.179 1.00 0.00 O ATOM 1198 CB SER A 77 -1.802 -1.863 15.764 1.00 0.00 C ATOM 1199 OG SER A 77 -2.684 -2.903 16.162 1.00 0.00 O ATOM 0 H SER A 77 -0.196 -0.352 14.669 1.00 0.00 H new ATOM 0 HA SER A 77 -1.461 -2.788 13.836 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.822 -2.025 16.213 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.171 -0.909 16.140 1.00 0.00 H new ATOM 0 HG SER A 77 -2.749 -2.920 17.140 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.180 -0.025 13.366 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.354 0.501 12.649 1.00 0.00 C ATOM 1207 C ASP A 78 -4.311 0.197 11.139 1.00 0.00 C ATOM 1208 O ASP A 78 -5.349 0.230 10.478 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.521 2.007 12.913 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.116 2.277 14.304 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.361 2.223 14.441 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.342 2.558 15.248 1.00 0.00 O ATOM 0 H ASP A 78 -2.534 0.698 13.684 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.229 -0.018 13.041 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.553 2.501 12.829 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.167 2.441 12.150 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.144 -0.179 10.599 1.00 0.00 N ATOM 1218 CA LEU A 79 -3.006 -0.634 9.211 1.00 0.00 C ATOM 1219 C LEU A 79 -3.544 -2.061 8.996 1.00 0.00 C ATOM 1220 O LEU A 79 -3.751 -2.464 7.851 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.538 -0.540 8.750 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.799 0.782 9.025 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.567 0.731 8.335 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.570 2.003 8.517 1.00 0.00 C ATOM 0 H LEU A 79 -2.265 -0.176 11.116 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.617 0.033 8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.981 -1.345 9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.508 -0.727 7.677 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.696 0.888 10.105 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.103 1.662 8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.143 -0.105 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.428 0.600 7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.004 2.908 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.716 1.919 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.540 2.053 9.012 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.792 -2.810 10.081 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.262 -4.204 10.064 1.00 0.00 C ATOM 1238 C LEU A 80 -5.798 -4.321 10.186 1.00 0.00 C ATOM 1239 O LEU A 80 -6.325 -5.422 10.382 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.537 -5.011 11.163 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.998 -4.897 11.180 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.451 -5.740 12.339 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.337 -5.336 9.865 1.00 0.00 C ATOM 0 H LEU A 80 -3.667 -2.450 11.027 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.013 -4.628 9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.916 -4.689 12.133 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.803 -6.062 11.050 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.754 -3.843 11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.364 -5.667 12.361 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.858 -5.372 13.281 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.742 -6.781 12.200 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.255 -5.230 9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.585 -6.378 9.663 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.701 -4.712 9.049 1.00 0.00 H new ATOM 1255 N THR A 81 -6.514 -3.192 10.107 1.00 0.00 N ATOM 1256 CA THR A 81 -7.981 -3.088 10.227 1.00 0.00 C ATOM 1257 C THR A 81 -8.698 -3.562 8.961 1.00 0.00 C ATOM 1258 O THR A 81 -8.076 -3.975 7.983 1.00 0.00 O ATOM 1259 CB THR A 81 -8.394 -1.660 10.627 1.00 0.00 C ATOM 1260 OG1 THR A 81 -7.895 -0.724 9.700 1.00 0.00 O ATOM 1261 CG2 THR A 81 -7.907 -1.296 12.032 1.00 0.00 C ATOM 0 H THR A 81 -6.072 -2.286 9.951 1.00 0.00 H new ATOM 0 HA THR A 81 -8.297 -3.761 11.024 1.00 0.00 H new ATOM 0 HB THR A 81 -9.484 -1.631 10.627 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.008 -0.422 9.986 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.220 -0.280 12.274 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.334 -1.990 12.756 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.819 -1.359 12.068 1.00 0.00 H new ATOM 1269 N ASP A 82 -10.031 -3.548 8.989 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.903 -4.069 7.921 1.00 0.00 C ATOM 1271 C ASP A 82 -11.284 -3.013 6.858 1.00 0.00 C ATOM 1272 O ASP A 82 -12.158 -3.241 6.023 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.142 -4.719 8.558 1.00 0.00 C ATOM 1274 CG ASP A 82 -11.794 -5.792 9.603 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -10.987 -6.702 9.298 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -12.326 -5.717 10.736 1.00 0.00 O ATOM 0 H ASP A 82 -10.555 -3.164 9.776 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.339 -4.820 7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.748 -3.945 9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.752 -5.169 7.774 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.605 -1.864 6.876 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.639 -0.826 5.842 1.00 0.00 C ATOM 1283 C ASP A 83 -9.199 -0.379 5.561 1.00 0.00 C ATOM 1284 O ASP A 83 -8.452 0.005 6.463 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.534 0.353 6.262 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.792 1.371 5.129 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.919 1.555 4.244 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.876 2.001 5.147 1.00 0.00 O ATOM 0 H ASP A 83 -9.986 -1.620 7.649 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.076 -1.228 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.490 -0.035 6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.070 0.868 7.103 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.805 -0.437 4.289 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.436 -0.172 3.830 1.00 0.00 C ATOM 1295 C ILE A 84 -7.015 1.298 3.999 1.00 0.00 C ATOM 1296 O ILE A 84 -5.828 1.591 3.870 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.266 -0.659 2.368 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.947 0.302 1.374 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.831 -2.080 2.188 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.689 -0.005 -0.100 1.00 0.00 C ATOM 0 H ILE A 84 -9.442 -0.675 3.529 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.760 -0.739 4.470 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.197 -0.676 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.022 0.282 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.609 1.317 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.698 -2.396 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.303 -2.768 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.893 -2.083 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.209 0.725 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.619 0.046 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.055 -1.005 -0.333 1.00 0.00 H new ATOM 1312 N THR A 85 -7.959 2.217 4.258 1.00 0.00 N ATOM 1313 CA THR A 85 -7.773 3.682 4.247 1.00 0.00 C ATOM 1314 C THR A 85 -6.631 4.176 5.130 1.00 0.00 C ATOM 1315 O THR A 85 -5.893 5.072 4.727 1.00 0.00 O ATOM 1316 CB THR A 85 -9.103 4.373 4.563 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.986 5.759 4.346 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.590 4.148 5.992 1.00 0.00 C ATOM 0 H THR A 85 -8.916 1.950 4.491 1.00 0.00 H new ATOM 0 HA THR A 85 -7.461 3.958 3.240 1.00 0.00 H new ATOM 0 HB THR A 85 -9.838 3.925 3.894 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.840 6.195 4.548 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.537 4.668 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.731 3.081 6.165 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.851 4.534 6.693 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.397 3.541 6.284 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.274 3.875 7.172 1.00 0.00 C ATOM 1328 C LYS A 86 -3.908 3.651 6.493 1.00 0.00 C ATOM 1329 O LYS A 86 -2.969 4.417 6.715 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.384 3.051 8.472 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.710 3.201 9.244 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.065 4.629 9.686 1.00 0.00 C ATOM 1333 CE LYS A 86 -6.003 5.237 10.616 1.00 0.00 C ATOM 1334 NZ LYS A 86 -6.418 6.573 11.122 1.00 0.00 N ATOM 0 H LYS A 86 -6.981 2.780 6.630 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.334 4.937 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.244 1.998 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.565 3.336 9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.518 2.822 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.668 2.566 10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.177 5.261 8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.028 4.619 10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.829 4.567 11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.058 5.328 10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.678 6.953 11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.560 7.219 10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.307 6.482 11.655 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.810 2.635 5.629 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.625 2.328 4.829 1.00 0.00 C ATOM 1350 C ALA A 87 -2.619 3.107 3.507 1.00 0.00 C ATOM 1351 O ALA A 87 -1.582 3.634 3.115 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.581 0.807 4.613 1.00 0.00 C ATOM 0 H ALA A 87 -4.578 1.985 5.464 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.724 2.643 5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.705 0.549 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.525 0.304 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.482 0.488 4.089 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.776 3.246 2.854 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.919 3.914 1.563 1.00 0.00 C ATOM 1360 C ALA A 88 -3.607 5.417 1.621 1.00 0.00 C ATOM 1361 O ALA A 88 -2.877 5.924 0.776 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.332 3.636 1.039 1.00 0.00 C ATOM 0 H ALA A 88 -4.658 2.888 3.219 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.179 3.509 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.465 4.125 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.472 2.561 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.065 4.024 1.746 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.073 6.137 2.645 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.746 7.561 2.828 1.00 0.00 C ATOM 1370 C LYS A 89 -2.263 7.785 3.174 1.00 0.00 C ATOM 1371 O LYS A 89 -1.651 8.757 2.730 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.659 8.140 3.913 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.111 8.270 3.425 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.027 8.770 4.546 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.440 8.994 3.994 1.00 0.00 C ATOM 1376 NZ LYS A 89 -9.392 9.398 5.060 1.00 0.00 N ATOM 0 H LYS A 89 -4.684 5.756 3.368 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.916 8.079 1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.627 7.500 4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.288 9.119 4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.154 8.959 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.465 7.304 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.054 8.044 5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.636 9.699 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.411 9.763 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.794 8.079 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.336 9.540 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.439 8.653 5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.068 10.285 5.497 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.659 6.846 3.908 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.218 6.818 4.182 1.00 0.00 C ATOM 1392 C CYS A 90 0.591 6.513 2.907 1.00 0.00 C ATOM 1393 O CYS A 90 1.613 7.152 2.655 1.00 0.00 O ATOM 1394 CB CYS A 90 0.011 5.820 5.325 1.00 0.00 C ATOM 1395 SG CYS A 90 1.726 5.486 5.779 1.00 0.00 S ATOM 0 H CYS A 90 -2.165 6.071 4.336 1.00 0.00 H new ATOM 0 HA CYS A 90 0.145 7.795 4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.509 6.190 6.209 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.459 4.875 5.051 1.00 0.00 H new ATOM 0 HG CYS A 90 2.441 6.555 5.591 1.00 0.00 H new ATOM 1400 N ALA A 91 0.077 5.650 2.027 1.00 0.00 N ATOM 1401 CA ALA A 91 0.629 5.409 0.697 1.00 0.00 C ATOM 1402 C ALA A 91 0.613 6.668 -0.189 1.00 0.00 C ATOM 1403 O ALA A 91 1.615 6.933 -0.849 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.111 4.229 0.064 1.00 0.00 C ATOM 0 H ALA A 91 -0.751 5.089 2.226 1.00 0.00 H new ATOM 0 HA ALA A 91 1.684 5.153 0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.292 4.038 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.020 3.342 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.172 4.464 -0.014 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.433 7.512 -0.147 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.400 8.818 -0.831 1.00 0.00 C ATOM 1412 C LYS A 92 0.704 9.740 -0.276 1.00 0.00 C ATOM 1413 O LYS A 92 1.429 10.364 -1.048 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.758 9.541 -0.764 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.009 8.734 -1.136 1.00 0.00 C ATOM 1416 CD LYS A 92 -2.970 7.947 -2.454 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.597 8.768 -3.701 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.581 9.844 -3.999 1.00 0.00 N ATOM 0 H LYS A 92 -1.303 7.317 0.348 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.174 8.599 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.889 9.917 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.710 10.409 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.210 8.030 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.854 9.421 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.255 7.131 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.948 7.495 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.612 9.212 -3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.523 8.102 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.230 10.428 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.492 9.418 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.710 10.440 -3.156 1.00 0.00 H new ATOM 1432 N LYS A 93 0.884 9.788 1.051 1.00 0.00 N ATOM 1433 CA LYS A 93 1.942 10.579 1.708 1.00 0.00 C ATOM 1434 C LYS A 93 3.366 10.080 1.377 1.00 0.00 C ATOM 1435 O LYS A 93 4.313 10.866 1.406 1.00 0.00 O ATOM 1436 CB LYS A 93 1.652 10.619 3.223 1.00 0.00 C ATOM 1437 CG LYS A 93 2.622 11.459 4.075 1.00 0.00 C ATOM 1438 CD LYS A 93 2.686 12.939 3.668 1.00 0.00 C ATOM 1439 CE LYS A 93 3.473 13.785 4.682 1.00 0.00 C ATOM 1440 NZ LYS A 93 4.930 13.500 4.658 1.00 0.00 N ATOM 0 H LYS A 93 0.296 9.275 1.708 1.00 0.00 H new ATOM 0 HA LYS A 93 1.922 11.595 1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.643 11.005 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.660 9.597 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.322 11.393 5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.621 11.029 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.152 13.025 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.674 13.333 3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.310 14.842 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.087 13.597 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.440 14.255 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.113 12.589 5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.259 13.457 3.672 1.00 0.00 H new ATOM 1454 N ILE A 94 3.520 8.812 0.985 1.00 0.00 N ATOM 1455 CA ILE A 94 4.768 8.274 0.416 1.00 0.00 C ATOM 1456 C ILE A 94 4.903 8.669 -1.062 1.00 0.00 C ATOM 1457 O ILE A 94 5.946 9.179 -1.470 1.00 0.00 O ATOM 1458 CB ILE A 94 4.835 6.742 0.612 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.897 6.372 2.110 1.00 0.00 C ATOM 1460 CG2 ILE A 94 6.076 6.198 -0.116 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.596 4.897 2.408 1.00 0.00 C ATOM 0 H ILE A 94 2.775 8.119 1.053 1.00 0.00 H new ATOM 0 HA ILE A 94 5.614 8.710 0.947 1.00 0.00 H new ATOM 0 HB ILE A 94 3.932 6.295 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.889 6.613 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.187 6.993 2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.131 5.118 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.005 6.430 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.972 6.661 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.661 4.722 3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.592 4.653 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.321 4.267 1.893 1.00 0.00 H new ATOM 1473 N TYR A 95 3.847 8.498 -1.862 1.00 0.00 N ATOM 1474 CA TYR A 95 3.808 8.840 -3.295 1.00 0.00 C ATOM 1475 C TYR A 95 4.141 10.318 -3.590 1.00 0.00 C ATOM 1476 O TYR A 95 4.706 10.632 -4.638 1.00 0.00 O ATOM 1477 CB TYR A 95 2.460 8.373 -3.878 1.00 0.00 C ATOM 1478 CG TYR A 95 1.848 9.197 -5.000 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.188 10.406 -4.703 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.878 8.728 -6.328 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.591 11.161 -5.731 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.285 9.477 -7.362 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.641 10.700 -7.066 1.00 0.00 C ATOM 1484 OH TYR A 95 0.061 11.432 -8.058 1.00 0.00 O ATOM 0 H TYR A 95 2.967 8.107 -1.525 1.00 0.00 H new ATOM 0 HA TYR A 95 4.609 8.305 -3.805 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.588 7.354 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.739 8.331 -3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.140 10.755 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.359 7.788 -6.554 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.095 12.092 -5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.322 9.118 -8.380 1.00 0.00 H new ATOM 0 HH TYR A 95 0.186 10.976 -8.917 1.00 0.00 H new ATOM 1494 N LYS A 96 3.897 11.208 -2.622 1.00 0.00 N ATOM 1495 CA LYS A 96 4.332 12.615 -2.602 1.00 0.00 C ATOM 1496 C LYS A 96 5.860 12.832 -2.700 1.00 0.00 C ATOM 1497 O LYS A 96 6.293 13.955 -2.976 1.00 0.00 O ATOM 1498 CB LYS A 96 3.800 13.229 -1.293 1.00 0.00 C ATOM 1499 CG LYS A 96 2.309 13.606 -1.332 1.00 0.00 C ATOM 1500 CD LYS A 96 2.035 14.878 -2.150 1.00 0.00 C ATOM 1501 CE LYS A 96 0.541 15.223 -2.095 1.00 0.00 C ATOM 1502 NZ LYS A 96 0.231 16.460 -2.861 1.00 0.00 N ATOM 0 H LYS A 96 3.365 10.958 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 96 3.931 13.096 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.963 12.521 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.382 14.120 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.741 12.778 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.949 13.751 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.623 15.707 -1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.345 14.729 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.039 14.392 -2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.236 15.352 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.788 16.660 -2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.765 17.258 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.499 16.328 -3.857 1.00 0.00 H new ATOM 1516 N ARG A 97 6.675 11.795 -2.463 1.00 0.00 N ATOM 1517 CA ARG A 97 8.143 11.809 -2.598 1.00 0.00 C ATOM 1518 C ARG A 97 8.677 10.650 -3.456 1.00 0.00 C ATOM 1519 O ARG A 97 9.662 10.823 -4.173 1.00 0.00 O ATOM 1520 CB ARG A 97 8.793 11.782 -1.202 1.00 0.00 C ATOM 1521 CG ARG A 97 8.466 13.001 -0.321 1.00 0.00 C ATOM 1522 CD ARG A 97 9.010 14.316 -0.891 1.00 0.00 C ATOM 1523 NE ARG A 97 8.650 15.449 -0.024 1.00 0.00 N ATOM 1524 CZ ARG A 97 7.654 16.312 -0.201 1.00 0.00 C ATOM 1525 NH1 ARG A 97 6.808 16.225 -1.207 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.494 17.297 0.656 1.00 0.00 N ATOM 0 H ARG A 97 6.319 10.888 -2.161 1.00 0.00 H new ATOM 0 HA ARG A 97 8.410 12.730 -3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.472 10.879 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.874 11.715 -1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.385 13.081 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.880 12.844 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.094 14.255 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.610 14.477 -1.892 1.00 0.00 H new ATOM 0 HE ARG A 97 9.229 15.588 0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.903 15.473 -1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.058 16.910 -1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.131 17.393 1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.733 17.965 0.529 1.00 0.00 H new ATOM 1540 N HIS A 98 8.003 9.497 -3.432 1.00 0.00 N ATOM 1541 CA HIS A 98 8.381 8.267 -4.136 1.00 0.00 C ATOM 1542 C HIS A 98 7.132 7.576 -4.726 1.00 0.00 C ATOM 1543 O HIS A 98 6.567 6.667 -4.115 1.00 0.00 O ATOM 1544 CB HIS A 98 9.139 7.350 -3.156 1.00 0.00 C ATOM 1545 CG HIS A 98 10.396 7.948 -2.585 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.615 8.066 -3.256 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.528 8.460 -1.327 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.451 8.655 -2.383 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.827 8.903 -1.216 1.00 0.00 N ATOM 0 H HIS A 98 7.141 9.390 -2.898 1.00 0.00 H new ATOM 0 HA HIS A 98 9.038 8.500 -4.974 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.472 7.087 -2.335 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.394 6.423 -3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.763 8.508 -0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.483 8.896 -2.590 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.243 9.342 -0.395 1.00 0.00 H new ATOM 1557 N ARG A 99 6.697 8.009 -5.923 1.00 0.00 N ATOM 1558 CA ARG A 99 5.403 7.633 -6.529 1.00 0.00 C ATOM 1559 C ARG A 99 5.106 6.123 -6.570 1.00 0.00 C ATOM 1560 O ARG A 99 3.992 5.713 -6.251 1.00 0.00 O ATOM 1561 CB ARG A 99 5.213 8.297 -7.909 1.00 0.00 C ATOM 1562 CG ARG A 99 6.037 7.790 -9.109 1.00 0.00 C ATOM 1563 CD ARG A 99 7.543 8.089 -9.059 1.00 0.00 C ATOM 1564 NE ARG A 99 8.183 7.870 -10.373 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.531 6.719 -10.941 1.00 0.00 C ATOM 1566 NH1 ARG A 99 8.340 5.551 -10.361 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.088 6.729 -12.132 1.00 0.00 N ATOM 0 H ARG A 99 7.243 8.641 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 99 4.653 8.030 -5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.159 8.207 -8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.423 9.360 -7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.902 6.711 -9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.628 8.230 -10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.700 9.121 -8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.017 7.452 -8.312 1.00 0.00 H new ATOM 0 HE ARG A 99 8.384 8.711 -10.914 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.909 5.504 -9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.623 4.694 -10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.250 7.614 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.358 5.851 -12.576 1.00 0.00 H new ATOM 1581 N PHE A 100 6.128 5.313 -6.870 1.00 0.00 N ATOM 1582 CA PHE A 100 6.109 3.845 -6.789 1.00 0.00 C ATOM 1583 C PHE A 100 7.453 3.246 -6.313 1.00 0.00 C ATOM 1584 O PHE A 100 7.544 2.043 -6.087 1.00 0.00 O ATOM 1585 CB PHE A 100 5.746 3.252 -8.159 1.00 0.00 C ATOM 1586 CG PHE A 100 4.440 3.710 -8.776 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.221 3.389 -8.152 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.435 4.449 -9.976 1.00 0.00 C ATOM 1589 CE1 PHE A 100 2.009 3.822 -8.706 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.220 4.893 -10.524 1.00 0.00 C ATOM 1591 CZ PHE A 100 2.007 4.581 -9.887 1.00 0.00 C ATOM 0 H PHE A 100 7.027 5.675 -7.188 1.00 0.00 H new ATOM 0 HA PHE A 100 5.357 3.583 -6.045 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.551 3.486 -8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.714 2.167 -8.062 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.219 2.807 -7.242 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.366 4.674 -10.475 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.076 3.572 -8.224 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.218 5.474 -11.434 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.073 4.925 -10.306 1.00 0.00 H new ATOM 1601 N ASP A 101 8.502 4.066 -6.159 1.00 0.00 N ATOM 1602 CA ASP A 101 9.886 3.607 -5.937 1.00 0.00 C ATOM 1603 C ASP A 101 10.192 3.194 -4.483 1.00 0.00 C ATOM 1604 O ASP A 101 11.198 2.530 -4.226 1.00 0.00 O ATOM 1605 CB ASP A 101 10.845 4.705 -6.426 1.00 0.00 C ATOM 1606 CG ASP A 101 12.319 4.267 -6.415 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.632 3.195 -6.986 1.00 0.00 O ATOM 1608 OD2 ASP A 101 13.163 5.002 -5.850 1.00 0.00 O ATOM 0 H ASP A 101 8.415 5.082 -6.185 1.00 0.00 H new ATOM 0 HA ASP A 101 10.027 2.691 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.567 4.998 -7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.729 5.587 -5.796 1.00 0.00 H new ATOM 1613 N ALA A 102 9.305 3.523 -3.537 1.00 0.00 N ATOM 1614 CA ALA A 102 9.375 3.055 -2.148 1.00 0.00 C ATOM 1615 C ALA A 102 8.998 1.564 -1.985 1.00 0.00 C ATOM 1616 O ALA A 102 9.131 1.013 -0.889 1.00 0.00 O ATOM 1617 CB ALA A 102 8.489 3.965 -1.291 1.00 0.00 C ATOM 0 H ALA A 102 8.506 4.131 -3.718 1.00 0.00 H new ATOM 0 HA ALA A 102 10.410 3.116 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.526 3.635 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.849 4.992 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.461 3.916 -1.651 1.00 0.00 H new ATOM 1623 N TRP A 103 8.561 0.909 -3.068 1.00 0.00 N ATOM 1624 CA TRP A 103 8.091 -0.476 -3.098 1.00 0.00 C ATOM 1625 C TRP A 103 8.792 -1.304 -4.175 1.00 0.00 C ATOM 1626 O TRP A 103 9.096 -0.825 -5.267 1.00 0.00 O ATOM 1627 CB TRP A 103 6.574 -0.467 -3.315 1.00 0.00 C ATOM 1628 CG TRP A 103 5.781 0.227 -2.254 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.401 -0.323 -1.082 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.247 1.589 -2.241 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.638 0.578 -0.372 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.466 1.760 -1.058 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.321 2.688 -3.122 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.736 2.931 -0.802 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.602 3.872 -2.873 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.792 3.986 -1.729 1.00 0.00 C ATOM 0 H TRP A 103 8.525 1.352 -3.986 1.00 0.00 H new ATOM 0 HA TRP A 103 8.333 -0.950 -2.147 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.363 0.009 -4.273 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.228 -1.498 -3.388 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.656 -1.319 -0.751 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.247 0.392 0.552 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.941 2.620 -4.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.140 3.020 0.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.673 4.698 -3.565 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.214 4.883 -1.563 1.00 0.00 H new ATOM 1647 N TYR A 104 9.041 -2.570 -3.850 1.00 0.00 N ATOM 1648 CA TYR A 104 9.732 -3.530 -4.707 1.00 0.00 C ATOM 1649 C TYR A 104 8.770 -4.309 -5.617 1.00 0.00 C ATOM 1650 O TYR A 104 9.114 -4.627 -6.757 1.00 0.00 O ATOM 1651 CB TYR A 104 10.536 -4.471 -3.805 1.00 0.00 C ATOM 1652 CG TYR A 104 11.559 -5.277 -4.569 1.00 0.00 C ATOM 1653 CD1 TYR A 104 12.710 -4.630 -5.051 1.00 0.00 C ATOM 1654 CD2 TYR A 104 11.353 -6.645 -4.820 1.00 0.00 C ATOM 1655 CE1 TYR A 104 13.668 -5.352 -5.788 1.00 0.00 C ATOM 1656 CE2 TYR A 104 12.313 -7.376 -5.546 1.00 0.00 C ATOM 1657 CZ TYR A 104 13.472 -6.731 -6.036 1.00 0.00 C ATOM 1658 OH TYR A 104 14.394 -7.441 -6.745 1.00 0.00 O ATOM 0 H TYR A 104 8.759 -2.969 -2.955 1.00 0.00 H new ATOM 0 HA TYR A 104 10.397 -2.992 -5.383 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.041 -3.887 -3.035 1.00 0.00 H new ATOM 0 HB3 TYR A 104 9.853 -5.149 -3.294 1.00 0.00 H new ATOM 0 HD1 TYR A 104 12.860 -3.578 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.461 -7.134 -4.457 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.550 -4.854 -6.163 1.00 0.00 H new ATOM 0 HE2 TYR A 104 12.164 -8.430 -5.729 1.00 0.00 H new ATOM 0 HH TYR A 104 14.102 -8.373 -6.820 1.00 0.00 H new ATOM 1668 N GLY A 105 7.536 -4.537 -5.149 1.00 0.00 N ATOM 1669 CA GLY A 105 6.458 -5.200 -5.889 1.00 0.00 C ATOM 1670 C GLY A 105 6.024 -4.444 -7.147 1.00 0.00 C ATOM 1671 O GLY A 105 5.442 -5.047 -8.045 1.00 0.00 O ATOM 0 H GLY A 105 7.252 -4.254 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.784 -6.201 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.597 -5.319 -5.231 1.00 0.00 H new ATOM 1675 N TRP A 106 6.344 -3.147 -7.242 1.00 0.00 N ATOM 1676 CA TRP A 106 6.203 -2.383 -8.479 1.00 0.00 C ATOM 1677 C TRP A 106 7.379 -2.657 -9.428 1.00 0.00 C ATOM 1678 O TRP A 106 7.211 -3.337 -10.437 1.00 0.00 O ATOM 1679 CB TRP A 106 6.025 -0.891 -8.170 1.00 0.00 C ATOM 1680 CG TRP A 106 5.829 -0.051 -9.395 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.673 0.076 -10.082 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.806 0.768 -10.111 1.00 0.00 C ATOM 1683 NE1 TRP A 106 4.879 0.859 -11.202 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.179 1.311 -11.272 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.154 1.123 -9.888 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 6.869 2.115 -12.191 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.859 1.925 -10.805 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.224 2.411 -11.962 1.00 0.00 C ATOM 0 H TRP A 106 6.708 -2.602 -6.461 1.00 0.00 H new ATOM 0 HA TRP A 106 5.302 -2.710 -8.998 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.167 -0.764 -7.510 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.900 -0.532 -7.628 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.730 -0.367 -9.799 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.159 1.075 -11.891 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.654 0.773 -8.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.365 2.502 -13.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 9.895 2.169 -10.619 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.775 3.009 -12.672 1.00 0.00 H new ATOM 1699 N LYS A 107 8.586 -2.178 -9.112 1.00 0.00 N ATOM 1700 CA LYS A 107 9.730 -2.204 -10.043 1.00 0.00 C ATOM 1701 C LYS A 107 10.217 -3.608 -10.452 1.00 0.00 C ATOM 1702 O LYS A 107 10.776 -3.748 -11.541 1.00 0.00 O ATOM 1703 CB LYS A 107 10.875 -1.302 -9.532 1.00 0.00 C ATOM 1704 CG LYS A 107 11.241 -1.463 -8.047 1.00 0.00 C ATOM 1705 CD LYS A 107 12.273 -0.404 -7.635 1.00 0.00 C ATOM 1706 CE LYS A 107 12.401 -0.330 -6.108 1.00 0.00 C ATOM 1707 NZ LYS A 107 13.305 0.771 -5.697 1.00 0.00 N ATOM 0 H LYS A 107 8.802 -1.761 -8.207 1.00 0.00 H new ATOM 0 HA LYS A 107 9.352 -1.789 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.764 -1.502 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.600 -0.262 -9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.346 -1.367 -7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.643 -2.461 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.241 -0.644 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.978 0.569 -8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.416 -0.180 -5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.781 -1.278 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.167 0.975 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.292 0.489 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.090 1.623 -6.254 1.00 0.00 H new ATOM 1721 N ASN A 108 9.943 -4.650 -9.660 1.00 0.00 N ATOM 1722 CA ASN A 108 10.308 -6.035 -9.988 1.00 0.00 C ATOM 1723 C ASN A 108 9.316 -6.746 -10.945 1.00 0.00 C ATOM 1724 O ASN A 108 9.611 -7.842 -11.422 1.00 0.00 O ATOM 1725 CB ASN A 108 10.498 -6.808 -8.671 1.00 0.00 C ATOM 1726 CG ASN A 108 11.201 -8.153 -8.859 1.00 0.00 C ATOM 1727 OD1 ASN A 108 12.197 -8.270 -9.564 1.00 0.00 O ATOM 1728 ND2 ASN A 108 10.712 -9.204 -8.225 1.00 0.00 N ATOM 0 H ASN A 108 9.459 -4.557 -8.767 1.00 0.00 H new ATOM 0 HA ASN A 108 11.241 -6.013 -10.552 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.076 -6.197 -7.978 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.524 -6.975 -8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 108 11.163 -10.114 -8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.883 -9.106 -7.639 1.00 0.00 H new ATOM 1735 N HIS A 109 8.161 -6.137 -11.261 1.00 0.00 N ATOM 1736 CA HIS A 109 7.090 -6.758 -12.070 1.00 0.00 C ATOM 1737 C HIS A 109 6.438 -5.810 -13.100 1.00 0.00 C ATOM 1738 O HIS A 109 6.271 -6.170 -14.267 1.00 0.00 O ATOM 1739 CB HIS A 109 6.021 -7.315 -11.116 1.00 0.00 C ATOM 1740 CG HIS A 109 6.511 -8.411 -10.207 1.00 0.00 C ATOM 1741 ND1 HIS A 109 6.673 -9.750 -10.572 1.00 0.00 N ATOM 1742 CD2 HIS A 109 6.816 -8.270 -8.884 1.00 0.00 C ATOM 1743 CE1 HIS A 109 7.065 -10.381 -9.453 1.00 0.00 C ATOM 1744 NE2 HIS A 109 7.154 -9.522 -8.422 1.00 0.00 N ATOM 0 H HIS A 109 7.939 -5.188 -10.960 1.00 0.00 H new ATOM 0 HA HIS A 109 7.553 -7.549 -12.660 1.00 0.00 H new ATOM 0 HB2 HIS A 109 5.635 -6.499 -10.506 1.00 0.00 H new ATOM 0 HB3 HIS A 109 5.187 -7.694 -11.706 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.796 -7.355 -8.311 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.280 -11.437 -9.390 1.00 0.00 H new ATOM 0 HE2 HIS A 109 7.424 -9.757 -7.467 1.00 0.00 H new ATOM 1752 N CYS A 110 6.122 -4.574 -12.699 1.00 0.00 N ATOM 1753 CA CYS A 110 5.369 -3.586 -13.490 1.00 0.00 C ATOM 1754 C CYS A 110 6.132 -3.032 -14.703 1.00 0.00 C ATOM 1755 O CYS A 110 5.513 -2.524 -15.638 1.00 0.00 O ATOM 1756 CB CYS A 110 4.956 -2.443 -12.556 1.00 0.00 C ATOM 1757 SG CYS A 110 3.866 -2.965 -11.207 1.00 0.00 S ATOM 0 H CYS A 110 6.392 -4.218 -11.782 1.00 0.00 H new ATOM 0 HA CYS A 110 4.502 -4.097 -13.909 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.852 -1.989 -12.133 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.454 -1.672 -13.140 1.00 0.00 H new ATOM 0 HG CYS A 110 3.738 -1.994 -10.352 1.00 0.00 H new ATOM 1762 N GLN A 111 7.463 -3.162 -14.714 1.00 0.00 N ATOM 1763 CA GLN A 111 8.310 -2.825 -15.865 1.00 0.00 C ATOM 1764 C GLN A 111 8.314 -3.937 -16.936 1.00 0.00 C ATOM 1765 O GLN A 111 8.714 -3.684 -18.074 1.00 0.00 O ATOM 1766 CB GLN A 111 9.738 -2.515 -15.382 1.00 0.00 C ATOM 1767 CG GLN A 111 9.794 -1.288 -14.454 1.00 0.00 C ATOM 1768 CD GLN A 111 11.232 -0.923 -14.088 1.00 0.00 C ATOM 1769 OE1 GLN A 111 11.814 0.030 -14.595 1.00 0.00 O ATOM 1770 NE2 GLN A 111 11.869 -1.671 -13.211 1.00 0.00 N ATOM 0 H GLN A 111 7.990 -3.509 -13.913 1.00 0.00 H new ATOM 0 HA GLN A 111 7.892 -1.939 -16.343 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.136 -3.383 -14.856 1.00 0.00 H new ATOM 0 HB3 GLN A 111 10.381 -2.343 -16.245 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.316 -0.439 -14.943 1.00 0.00 H new ATOM 0 HG3 GLN A 111 9.228 -1.492 -13.545 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.397 -2.467 -12.781 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.834 -1.454 -12.961 1.00 0.00 H new ATOM 1779 N GLY A 112 7.842 -5.147 -16.598 1.00 0.00 N ATOM 1780 CA GLY A 112 7.638 -6.265 -17.526 1.00 0.00 C ATOM 1781 C GLY A 112 6.201 -6.322 -18.051 1.00 0.00 C ATOM 1782 O GLY A 112 5.994 -6.381 -19.262 1.00 0.00 O ATOM 0 H GLY A 112 7.584 -5.379 -15.639 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.327 -6.169 -18.365 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.877 -7.202 -17.023 1.00 0.00 H new ATOM 1786 N SER A 113 5.209 -6.282 -17.157 1.00 0.00 N ATOM 1787 CA SER A 113 3.775 -6.352 -17.497 1.00 0.00 C ATOM 1788 C SER A 113 2.871 -5.958 -16.311 1.00 0.00 C ATOM 1789 O SER A 113 3.250 -6.123 -15.148 1.00 0.00 O ATOM 1790 CB SER A 113 3.414 -7.769 -17.979 1.00 0.00 C ATOM 1791 OG SER A 113 2.122 -7.794 -18.569 1.00 0.00 O ATOM 0 H SER A 113 5.378 -6.198 -16.155 1.00 0.00 H new ATOM 0 HA SER A 113 3.599 -5.633 -18.297 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.154 -8.110 -18.703 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.447 -8.462 -17.138 1.00 0.00 H new ATOM 0 HG SER A 113 1.917 -8.704 -18.869 1.00 0.00 H new ATOM 1797 N LEU A 114 1.667 -5.442 -16.598 1.00 0.00 N ATOM 1798 CA LEU A 114 0.630 -5.100 -15.617 1.00 0.00 C ATOM 1799 C LEU A 114 -0.656 -5.933 -15.809 1.00 0.00 C ATOM 1800 O LEU A 114 -0.974 -6.306 -16.945 1.00 0.00 O ATOM 1801 CB LEU A 114 0.302 -3.604 -15.758 1.00 0.00 C ATOM 1802 CG LEU A 114 1.419 -2.675 -15.251 1.00 0.00 C ATOM 1803 CD1 LEU A 114 1.111 -1.242 -15.682 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.529 -2.722 -13.724 1.00 0.00 C ATOM 0 H LEU A 114 1.379 -5.244 -17.556 1.00 0.00 H new ATOM 0 HA LEU A 114 1.012 -5.325 -14.621 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.105 -3.382 -16.807 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.615 -3.389 -15.209 1.00 0.00 H new ATOM 0 HG LEU A 114 2.365 -3.010 -15.677 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.899 -0.578 -15.326 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.059 -1.192 -16.770 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.156 -0.932 -15.258 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.327 -2.055 -13.396 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.585 -2.404 -13.281 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.754 -3.740 -13.407 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.441 -6.159 -14.736 1.00 0.00 N ATOM 1817 CA PRO A 115 -2.759 -6.774 -14.811 1.00 0.00 C ATOM 1818 C PRO A 115 -3.765 -5.822 -15.463 1.00 0.00 C ATOM 1819 O PRO A 115 -3.614 -4.602 -15.396 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.149 -7.070 -13.362 1.00 0.00 C ATOM 1821 CG PRO A 115 -2.453 -5.964 -12.574 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.166 -5.749 -13.366 1.00 0.00 C ATOM 0 HA PRO A 115 -2.751 -7.678 -15.420 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.230 -7.043 -13.223 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -2.812 -8.059 -13.049 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.057 -5.058 -12.528 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.251 -6.265 -11.546 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -0.860 -4.704 -13.330 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.350 -6.335 -12.944 1.00 0.00 H new ATOM 1830 N ASP A 116 -4.808 -6.378 -16.080 1.00 0.00 N ATOM 1831 CA ASP A 116 -5.943 -5.613 -16.602 1.00 0.00 C ATOM 1832 C ASP A 116 -6.974 -5.291 -15.501 1.00 0.00 C ATOM 1833 O ASP A 116 -7.175 -6.046 -14.546 1.00 0.00 O ATOM 1834 CB ASP A 116 -6.581 -6.367 -17.783 1.00 0.00 C ATOM 1835 CG ASP A 116 -7.741 -5.602 -18.449 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -7.717 -4.346 -18.473 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -8.687 -6.264 -18.935 1.00 0.00 O ATOM 0 H ASP A 116 -4.890 -7.383 -16.234 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.575 -4.653 -16.964 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.814 -6.570 -18.531 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.947 -7.332 -17.432 1.00 0.00 H new ATOM 1842 N ILE A 117 -7.644 -4.152 -15.677 1.00 0.00 N ATOM 1843 CA ILE A 117 -8.684 -3.587 -14.798 1.00 0.00 C ATOM 1844 C ILE A 117 -9.931 -3.121 -15.572 1.00 0.00 C ATOM 1845 O ILE A 117 -10.867 -2.599 -14.979 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.099 -2.416 -13.976 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.637 -1.281 -14.922 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -6.973 -2.896 -13.038 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.310 0.011 -14.188 1.00 0.00 C ATOM 0 H ILE A 117 -7.468 -3.557 -16.487 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.007 -4.385 -14.130 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.881 -2.012 -13.333 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.757 -1.611 -15.474 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.419 -1.087 -15.656 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.583 -2.049 -12.474 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.368 -3.641 -12.347 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.171 -3.339 -13.629 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -6.993 0.767 -14.906 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.195 0.363 -13.658 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.507 -0.170 -13.473 1.00 0.00 H new ATOM 1861 N SER A 118 -9.953 -3.269 -16.896 1.00 0.00 N ATOM 1862 CA SER A 118 -10.999 -2.722 -17.784 1.00 0.00 C ATOM 1863 C SER A 118 -12.407 -3.320 -17.565 1.00 0.00 C ATOM 1864 O SER A 118 -13.399 -2.781 -18.057 1.00 0.00 O ATOM 1865 CB SER A 118 -10.593 -2.908 -19.258 1.00 0.00 C ATOM 1866 OG SER A 118 -9.301 -2.381 -19.540 1.00 0.00 O ATOM 0 H SER A 118 -9.231 -3.783 -17.401 1.00 0.00 H new ATOM 0 HA SER A 118 -11.072 -1.665 -17.526 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.610 -3.970 -19.505 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.328 -2.420 -19.898 1.00 0.00 H new ATOM 0 HG SER A 118 -8.617 -2.964 -19.148 1.00 0.00 H new ATOM 1872 N SER A 119 -12.518 -4.413 -16.810 1.00 0.00 N ATOM 1873 CA SER A 119 -13.776 -5.038 -16.375 1.00 0.00 C ATOM 1874 C SER A 119 -14.330 -4.479 -15.045 1.00 0.00 C ATOM 1875 O SER A 119 -15.468 -4.788 -14.672 1.00 0.00 O ATOM 1876 CB SER A 119 -13.539 -6.550 -16.243 1.00 0.00 C ATOM 1877 OG SER A 119 -12.403 -6.835 -15.429 1.00 0.00 O ATOM 0 H SER A 119 -11.698 -4.913 -16.467 1.00 0.00 H new ATOM 0 HA SER A 119 -14.530 -4.809 -17.128 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.423 -7.021 -15.813 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.396 -6.984 -17.233 1.00 0.00 H new ATOM 0 HG SER A 119 -12.282 -7.805 -15.365 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.547 -3.657 -14.334 1.00 0.00 N ATOM 1884 CA CYS A 120 -13.856 -3.102 -13.011 1.00 0.00 C ATOM 1885 C CYS A 120 -14.595 -1.750 -13.096 1.00 0.00 C ATOM 1886 O CYS A 120 -15.671 -1.623 -12.471 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.548 -2.971 -12.214 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.528 -4.468 -12.110 1.00 0.00 S ATOM 1889 OXT CYS A 120 -14.072 -0.797 -13.721 1.00 0.00 O ATOM 0 H CYS A 120 -12.640 -3.347 -14.682 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.536 -3.783 -12.499 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -11.950 -2.178 -12.663 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.793 -2.651 -11.201 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.234 -5.441 -11.615 1.00 0.00 H new TER 1894 CYS A 120