USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 944 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 79 THR OG1 : rot 180:sc= 1 USER MOD Set 1.2: A 82 THR OG1 : rot -29:sc= -1.34! USER MOD Set 2.1: A 8 ASN : amide:sc= 0.571 K(o=1.3,f=-6.8!) USER MOD Set 2.2: A 13 LYS NZ :NH3+ 167:sc= 0.707 (180deg=-0.00911) USER MOD Single : A 1 MET CE :methyl 143:sc= -0.13 (180deg=-1.83) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.26 (180deg=1.1) USER MOD Single : A 2 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.3!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= -0.518 (180deg=-0.537) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -150:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00201 USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0973 (180deg=-0.532) USER MOD Single : A 31 LYS NZ :NH3+ -138:sc= 0.195 (180deg=-0.155) USER MOD Single : A 32 GLN : amide:sc= -0.839 K(o=-0.84,f=-1.9) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 37 ASN : amide:sc= 1.16 K(o=1.2,f=-0.13) USER MOD Single : A 44 THR OG1 : rot 130:sc= -2.35! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -2:sc= 0.0808 USER MOD Single : A 50 LYS NZ :NH3+ -141:sc= 1.27 (180deg=0.886) USER MOD Single : A 51 THR OG1 : rot 170:sc= -4.11! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 29:sc= 0.267 USER MOD Single : A 72 SER OG : rot 180:sc= -0.163 USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.11) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0964 F(o=-2.3!,f=-0.096) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.83 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= -0.0128 (180deg=-0.144) USER MOD Single : A 94 TYR OH : rot 51:sc= 0.0141 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.013) USER MOD Single : A 122 LYS NZ :NH3+ 177:sc= 0.749 (180deg=0.497) USER MOD Single : A 129 MET CE :methyl 176:sc= -3.06! (180deg=-3.15!) USER MOD Single : A 132 MET CE :methyl 142:sc= -1.57! (180deg=-3.36) USER MOD Single : A 145 GLN : amide:sc= -0.0314 K(o=-0.031,f=-0.71) USER MOD Single : A 146 MET CE :methyl -153:sc= -0.45 (180deg=-2.15!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.868 -70.776 2.845 1.00 0.00 N ATOM 2 CA MET A 1 5.754 -70.075 3.798 1.00 0.00 C ATOM 3 C MET A 1 4.965 -69.031 4.574 1.00 0.00 C ATOM 4 O MET A 1 4.167 -68.287 4.001 1.00 0.00 O ATOM 5 CB MET A 1 6.919 -69.415 3.052 1.00 0.00 C ATOM 6 CG MET A 1 7.873 -68.647 3.954 1.00 0.00 C ATOM 7 SD MET A 1 8.739 -69.704 5.130 1.00 0.00 S ATOM 8 CE MET A 1 9.667 -70.764 4.021 1.00 0.00 C ATOM 0 H1 MET A 1 5.442 -71.349 2.195 1.00 0.00 H new ATOM 0 H2 MET A 1 4.216 -71.395 3.368 1.00 0.00 H new ATOM 0 H3 MET A 1 4.322 -70.078 2.301 1.00 0.00 H new ATOM 0 HA MET A 1 6.159 -70.802 4.501 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.478 -70.184 2.519 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.518 -68.735 2.301 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.604 -68.124 3.338 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.314 -67.887 4.500 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.645 -70.975 4.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.126 -71.699 3.874 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.794 -70.264 3.061 1.00 0.00 H new ATOM 20 N GLN A 2 5.175 -68.993 5.878 1.00 0.00 N ATOM 21 CA GLN A 2 4.514 -68.024 6.733 1.00 0.00 C ATOM 22 C GLN A 2 5.272 -66.697 6.708 1.00 0.00 C ATOM 23 O GLN A 2 6.271 -66.526 7.406 1.00 0.00 O ATOM 24 CB GLN A 2 4.420 -68.565 8.161 1.00 0.00 C ATOM 25 CG GLN A 2 3.695 -67.644 9.126 1.00 0.00 C ATOM 26 CD GLN A 2 3.704 -68.166 10.552 1.00 0.00 C ATOM 27 OE1 GLN A 2 3.706 -67.388 11.507 1.00 0.00 O ATOM 28 NE2 GLN A 2 3.691 -69.480 10.710 1.00 0.00 N ATOM 0 H GLN A 2 5.803 -69.628 6.371 1.00 0.00 H new ATOM 0 HA GLN A 2 3.504 -67.850 6.361 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.909 -69.527 8.141 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.427 -68.747 8.536 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.161 -66.659 9.101 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.664 -67.518 8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.690 -70.092 9.894 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.682 -69.881 11.648 1.00 0.00 H new ATOM 37 N TYR A 3 4.810 -65.776 5.876 1.00 0.00 N ATOM 38 CA TYR A 3 5.455 -64.473 5.744 1.00 0.00 C ATOM 39 C TYR A 3 5.001 -63.531 6.848 1.00 0.00 C ATOM 40 O TYR A 3 3.830 -63.523 7.226 1.00 0.00 O ATOM 41 CB TYR A 3 5.152 -63.857 4.378 1.00 0.00 C ATOM 42 CG TYR A 3 5.886 -64.510 3.228 1.00 0.00 C ATOM 43 CD1 TYR A 3 5.494 -65.752 2.745 1.00 0.00 C ATOM 44 CD2 TYR A 3 6.974 -63.890 2.632 1.00 0.00 C ATOM 45 CE1 TYR A 3 6.162 -66.353 1.696 1.00 0.00 C ATOM 46 CE2 TYR A 3 7.648 -64.485 1.585 1.00 0.00 C ATOM 47 CZ TYR A 3 7.229 -65.704 1.109 1.00 0.00 C ATOM 48 OH TYR A 3 7.915 -66.304 0.079 1.00 0.00 O ATOM 0 H TYR A 3 3.991 -65.904 5.281 1.00 0.00 H new ATOM 0 HA TYR A 3 6.531 -64.622 5.832 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.080 -63.920 4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.409 -62.798 4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.653 -66.256 3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.299 -62.926 2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.852 -67.323 1.338 1.00 0.00 H new ATOM 0 HE2 TYR A 3 8.502 -63.994 1.141 1.00 0.00 H new ATOM 0 HH TYR A 3 8.636 -65.713 -0.222 1.00 0.00 H new ATOM 58 N LYS A 4 5.932 -62.735 7.348 1.00 0.00 N ATOM 59 CA LYS A 4 5.664 -61.823 8.452 1.00 0.00 C ATOM 60 C LYS A 4 5.586 -60.382 7.958 1.00 0.00 C ATOM 61 O LYS A 4 6.554 -59.848 7.426 1.00 0.00 O ATOM 62 CB LYS A 4 6.775 -61.960 9.502 1.00 0.00 C ATOM 63 CG LYS A 4 6.692 -60.973 10.662 1.00 0.00 C ATOM 64 CD LYS A 4 6.109 -61.614 11.913 1.00 0.00 C ATOM 65 CE LYS A 4 4.602 -61.747 11.834 1.00 0.00 C ATOM 66 NZ LYS A 4 4.065 -62.620 12.915 1.00 0.00 N ATOM 0 H LYS A 4 6.891 -62.701 7.003 1.00 0.00 H new ATOM 0 HA LYS A 4 4.703 -62.080 8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.751 -62.973 9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.739 -61.836 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.687 -60.587 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.077 -60.121 10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.553 -62.599 12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.375 -61.015 12.784 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.146 -60.759 11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.324 -62.158 10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.027 -62.645 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.441 -63.583 12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.351 -62.242 13.841 1.00 0.00 H new ATOM 80 N LEU A 5 4.430 -59.763 8.124 1.00 0.00 N ATOM 81 CA LEU A 5 4.254 -58.363 7.763 1.00 0.00 C ATOM 82 C LEU A 5 4.528 -57.471 8.963 1.00 0.00 C ATOM 83 O LEU A 5 3.900 -57.618 10.014 1.00 0.00 O ATOM 84 CB LEU A 5 2.836 -58.110 7.243 1.00 0.00 C ATOM 85 CG LEU A 5 2.464 -56.636 7.020 1.00 0.00 C ATOM 86 CD1 LEU A 5 3.376 -55.985 5.989 1.00 0.00 C ATOM 87 CD2 LEU A 5 1.009 -56.519 6.594 1.00 0.00 C ATOM 0 H LEU A 5 3.596 -60.207 8.507 1.00 0.00 H new ATOM 0 HA LEU A 5 4.964 -58.125 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.713 -58.644 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.127 -58.542 7.949 1.00 0.00 H new ATOM 0 HG LEU A 5 2.599 -56.107 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.087 -54.943 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.409 -56.033 6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.286 -56.512 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.758 -55.470 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.856 -57.069 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.368 -56.934 7.371 1.00 0.00 H new ATOM 99 N ILE A 6 5.469 -56.558 8.799 1.00 0.00 N ATOM 100 CA ILE A 6 5.772 -55.574 9.820 1.00 0.00 C ATOM 101 C ILE A 6 5.151 -54.241 9.438 1.00 0.00 C ATOM 102 O ILE A 6 5.643 -53.540 8.551 1.00 0.00 O ATOM 103 CB ILE A 6 7.295 -55.405 10.022 1.00 0.00 C ATOM 104 CG1 ILE A 6 7.924 -56.734 10.451 1.00 0.00 C ATOM 105 CG2 ILE A 6 7.587 -54.320 11.053 1.00 0.00 C ATOM 106 CD1 ILE A 6 7.351 -57.286 11.740 1.00 0.00 C ATOM 0 H ILE A 6 6.041 -56.479 7.958 1.00 0.00 H new ATOM 0 HA ILE A 6 5.352 -55.926 10.762 1.00 0.00 H new ATOM 0 HB ILE A 6 7.736 -55.100 9.073 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.782 -57.467 9.657 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.999 -56.596 10.570 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.665 -54.218 11.179 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.171 -53.372 10.712 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.134 -54.593 12.006 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.843 -58.228 11.983 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.516 -56.572 12.547 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.281 -57.456 11.619 1.00 0.00 H new ATOM 118 N LEU A 7 4.048 -53.919 10.088 1.00 0.00 N ATOM 119 CA LEU A 7 3.323 -52.692 9.818 1.00 0.00 C ATOM 120 C LEU A 7 3.948 -51.535 10.578 1.00 0.00 C ATOM 121 O LEU A 7 4.126 -51.608 11.792 1.00 0.00 O ATOM 122 CB LEU A 7 1.861 -52.859 10.221 1.00 0.00 C ATOM 123 CG LEU A 7 1.100 -53.919 9.429 1.00 0.00 C ATOM 124 CD1 LEU A 7 -0.047 -54.478 10.253 1.00 0.00 C ATOM 125 CD2 LEU A 7 0.580 -53.328 8.127 1.00 0.00 C ATOM 0 H LEU A 7 3.631 -54.499 10.816 1.00 0.00 H new ATOM 0 HA LEU A 7 3.376 -52.475 8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.817 -53.114 11.280 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.354 -51.902 10.102 1.00 0.00 H new ATOM 0 HG LEU A 7 1.783 -54.735 9.194 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.578 -55.232 9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.346 -54.931 11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.733 -53.673 10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.039 -54.093 7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.090 -52.497 8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.418 -52.970 7.530 1.00 0.00 H new ATOM 137 N ASN A 8 4.308 -50.494 9.855 1.00 0.00 N ATOM 138 CA ASN A 8 4.901 -49.314 10.459 1.00 0.00 C ATOM 139 C ASN A 8 4.298 -48.066 9.852 1.00 0.00 C ATOM 140 O ASN A 8 4.480 -47.812 8.662 1.00 0.00 O ATOM 141 CB ASN A 8 6.392 -49.279 10.181 1.00 0.00 C ATOM 142 CG ASN A 8 7.175 -48.535 11.239 1.00 0.00 C ATOM 143 OD1 ASN A 8 6.673 -47.604 11.866 1.00 0.00 O ATOM 144 ND2 ASN A 8 8.416 -48.947 11.446 1.00 0.00 N ATOM 0 H ASN A 8 4.200 -50.440 8.842 1.00 0.00 H new ATOM 0 HA ASN A 8 4.712 -49.352 11.532 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.767 -50.300 10.111 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.564 -48.809 9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.995 -48.488 12.149 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.793 -49.724 10.903 1.00 0.00 H new ATOM 151 N GLY A 9 3.591 -47.285 10.637 1.00 0.00 N ATOM 152 CA GLY A 9 3.083 -46.049 10.112 1.00 0.00 C ATOM 153 C GLY A 9 2.044 -45.400 10.996 1.00 0.00 C ATOM 154 O GLY A 9 1.845 -45.830 12.134 1.00 0.00 O ATOM 0 H GLY A 9 3.362 -47.479 11.612 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.912 -45.356 9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.649 -46.232 9.129 1.00 0.00 H new ATOM 158 N LYS A 10 1.417 -44.348 10.472 1.00 0.00 N ATOM 159 CA LYS A 10 0.417 -43.563 11.199 1.00 0.00 C ATOM 160 C LYS A 10 -0.638 -44.446 11.854 1.00 0.00 C ATOM 161 O LYS A 10 -1.548 -44.941 11.185 1.00 0.00 O ATOM 162 CB LYS A 10 -0.271 -42.584 10.246 1.00 0.00 C ATOM 163 CG LYS A 10 0.654 -41.523 9.671 1.00 0.00 C ATOM 164 CD LYS A 10 0.089 -40.935 8.388 1.00 0.00 C ATOM 165 CE LYS A 10 -1.235 -40.230 8.622 1.00 0.00 C ATOM 166 NZ LYS A 10 -1.950 -39.971 7.345 1.00 0.00 N ATOM 0 H LYS A 10 1.589 -44.013 9.524 1.00 0.00 H new ATOM 0 HA LYS A 10 0.941 -43.020 11.986 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.717 -43.146 9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.087 -42.091 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.801 -40.729 10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.633 -41.959 9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.805 -40.231 7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.048 -41.729 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.862 -40.839 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.059 -39.287 9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.850 -39.489 7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.362 -39.370 6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.139 -40.873 6.864 1.00 0.00 H new ATOM 180 N THR A 11 -0.492 -44.647 13.164 1.00 0.00 N ATOM 181 CA THR A 11 -1.444 -45.419 13.954 1.00 0.00 C ATOM 182 C THR A 11 -1.481 -46.891 13.512 1.00 0.00 C ATOM 183 O THR A 11 -2.325 -47.669 13.955 1.00 0.00 O ATOM 184 CB THR A 11 -2.857 -44.795 13.859 1.00 0.00 C ATOM 185 OG1 THR A 11 -2.760 -43.368 14.000 1.00 0.00 O ATOM 186 CG2 THR A 11 -3.787 -45.338 14.938 1.00 0.00 C ATOM 0 H THR A 11 0.290 -44.278 13.705 1.00 0.00 H new ATOM 0 HA THR A 11 -1.113 -45.390 14.992 1.00 0.00 H new ATOM 0 HB THR A 11 -3.273 -45.057 12.886 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.654 -42.972 13.938 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.769 -44.876 14.838 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.881 -46.418 14.827 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.376 -45.109 15.921 1.00 0.00 H new ATOM 194 N LEU A 12 -0.544 -47.287 12.659 1.00 0.00 N ATOM 195 CA LEU A 12 -0.531 -48.650 12.161 1.00 0.00 C ATOM 196 C LEU A 12 0.843 -49.267 12.330 1.00 0.00 C ATOM 197 O LEU A 12 1.714 -49.125 11.478 1.00 0.00 O ATOM 198 CB LEU A 12 -0.963 -48.699 10.699 1.00 0.00 C ATOM 199 CG LEU A 12 -1.979 -49.794 10.365 1.00 0.00 C ATOM 200 CD1 LEU A 12 -1.408 -51.178 10.632 1.00 0.00 C ATOM 201 CD2 LEU A 12 -3.264 -49.584 11.153 1.00 0.00 C ATOM 0 H LEU A 12 0.204 -46.692 12.304 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.244 -49.231 12.746 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.389 -47.733 10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.079 -48.842 10.078 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.207 -49.728 9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.154 -51.933 10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.520 -51.330 10.018 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.140 -51.264 11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.976 -50.371 10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.046 -49.616 12.220 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.692 -48.614 10.900 1.00 0.00 H new ATOM 213 N LYS A 13 1.022 -49.943 13.445 1.00 0.00 N ATOM 214 CA LYS A 13 2.295 -50.559 13.784 1.00 0.00 C ATOM 215 C LYS A 13 2.048 -51.904 14.458 1.00 0.00 C ATOM 216 O LYS A 13 1.894 -51.981 15.678 1.00 0.00 O ATOM 217 CB LYS A 13 3.114 -49.642 14.703 1.00 0.00 C ATOM 218 CG LYS A 13 3.485 -48.301 14.081 1.00 0.00 C ATOM 219 CD LYS A 13 3.962 -47.313 15.135 1.00 0.00 C ATOM 220 CE LYS A 13 4.302 -45.957 14.530 1.00 0.00 C ATOM 221 NZ LYS A 13 5.533 -46.006 13.699 1.00 0.00 N ATOM 0 H LYS A 13 0.292 -50.083 14.144 1.00 0.00 H new ATOM 0 HA LYS A 13 2.866 -50.716 12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.547 -49.461 15.616 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.028 -50.160 14.993 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.268 -48.448 13.337 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.622 -47.889 13.558 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.188 -47.189 15.893 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.840 -47.716 15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.467 -45.614 13.919 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.434 -45.227 15.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.606 -45.135 13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.366 -46.090 14.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.490 -46.827 13.062 1.00 0.00 H new ATOM 235 N GLY A 14 1.977 -52.952 13.653 1.00 0.00 N ATOM 236 CA GLY A 14 1.668 -54.270 14.164 1.00 0.00 C ATOM 237 C GLY A 14 2.323 -55.358 13.345 1.00 0.00 C ATOM 238 O GLY A 14 3.008 -55.068 12.363 1.00 0.00 O ATOM 0 H GLY A 14 2.130 -52.912 12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.000 -54.345 15.200 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.588 -54.416 14.164 1.00 0.00 H new ATOM 242 N GLU A 15 2.113 -56.606 13.734 1.00 0.00 N ATOM 243 CA GLU A 15 2.700 -57.731 13.027 1.00 0.00 C ATOM 244 C GLU A 15 1.626 -58.754 12.684 1.00 0.00 C ATOM 245 O GLU A 15 0.817 -59.124 13.537 1.00 0.00 O ATOM 246 CB GLU A 15 3.797 -58.412 13.863 1.00 0.00 C ATOM 247 CG GLU A 15 4.881 -57.477 14.389 1.00 0.00 C ATOM 248 CD GLU A 15 4.451 -56.710 15.627 1.00 0.00 C ATOM 249 OE1 GLU A 15 4.159 -57.356 16.656 1.00 0.00 O ATOM 250 OE2 GLU A 15 4.395 -55.465 15.573 1.00 0.00 O ATOM 0 H GLU A 15 1.539 -56.864 14.537 1.00 0.00 H new ATOM 0 HA GLU A 15 3.150 -57.345 12.113 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.329 -58.913 14.710 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.268 -59.185 13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.774 -58.058 14.620 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.154 -56.769 13.606 1.00 0.00 H new ATOM 257 N THR A 16 1.615 -59.209 11.443 1.00 0.00 N ATOM 258 CA THR A 16 0.681 -60.242 11.023 1.00 0.00 C ATOM 259 C THR A 16 1.346 -61.167 10.007 1.00 0.00 C ATOM 260 O THR A 16 2.454 -60.893 9.545 1.00 0.00 O ATOM 261 CB THR A 16 -0.620 -59.643 10.432 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.559 -60.690 10.144 1.00 0.00 O ATOM 263 CG2 THR A 16 -0.340 -58.848 9.166 1.00 0.00 C ATOM 0 H THR A 16 2.241 -58.880 10.708 1.00 0.00 H new ATOM 0 HA THR A 16 0.403 -60.815 11.908 1.00 0.00 H new ATOM 0 HB THR A 16 -1.042 -58.966 11.175 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.378 -60.301 9.773 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.274 -58.442 8.777 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.344 -58.031 9.393 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.110 -59.501 8.418 1.00 0.00 H new ATOM 271 N THR A 17 0.682 -62.260 9.677 1.00 0.00 N ATOM 272 CA THR A 17 1.230 -63.245 8.763 1.00 0.00 C ATOM 273 C THR A 17 0.210 -63.635 7.706 1.00 0.00 C ATOM 274 O THR A 17 -0.959 -63.247 7.779 1.00 0.00 O ATOM 275 CB THR A 17 1.669 -64.517 9.517 1.00 0.00 C ATOM 276 OG1 THR A 17 0.686 -64.865 10.505 1.00 0.00 O ATOM 277 CG2 THR A 17 3.012 -64.325 10.187 1.00 0.00 C ATOM 0 H THR A 17 -0.246 -62.489 10.032 1.00 0.00 H new ATOM 0 HA THR A 17 2.096 -62.789 8.283 1.00 0.00 H new ATOM 0 HB THR A 17 1.761 -65.322 8.788 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.970 -65.674 10.979 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.292 -65.240 10.709 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.765 -64.092 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.948 -63.504 10.901 1.00 0.00 H new ATOM 285 N THR A 18 0.664 -64.389 6.723 1.00 0.00 N ATOM 286 CA THR A 18 -0.216 -64.963 5.727 1.00 0.00 C ATOM 287 C THR A 18 0.417 -66.234 5.173 1.00 0.00 C ATOM 288 O THR A 18 1.647 -66.346 5.106 1.00 0.00 O ATOM 289 CB THR A 18 -0.520 -63.969 4.578 1.00 0.00 C ATOM 290 OG1 THR A 18 -1.647 -64.422 3.818 1.00 0.00 O ATOM 291 CG2 THR A 18 0.675 -63.798 3.649 1.00 0.00 C ATOM 0 H THR A 18 1.649 -64.619 6.594 1.00 0.00 H new ATOM 0 HA THR A 18 -1.166 -65.198 6.206 1.00 0.00 H new ATOM 0 HB THR A 18 -0.742 -63.004 5.033 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.558 -64.120 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.422 -63.094 2.857 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.525 -63.417 4.216 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.935 -64.761 3.209 1.00 0.00 H new ATOM 299 N GLU A 19 -0.415 -67.198 4.819 1.00 0.00 N ATOM 300 CA GLU A 19 0.068 -68.431 4.228 1.00 0.00 C ATOM 301 C GLU A 19 0.283 -68.222 2.735 1.00 0.00 C ATOM 302 O GLU A 19 -0.661 -68.281 1.944 1.00 0.00 O ATOM 303 CB GLU A 19 -0.915 -69.585 4.475 1.00 0.00 C ATOM 304 CG GLU A 19 -1.053 -69.999 5.938 1.00 0.00 C ATOM 305 CD GLU A 19 -1.682 -68.930 6.814 1.00 0.00 C ATOM 306 OE1 GLU A 19 -2.807 -68.486 6.505 1.00 0.00 O ATOM 307 OE2 GLU A 19 -1.063 -68.538 7.823 1.00 0.00 O ATOM 0 H GLU A 19 -1.428 -67.150 4.931 1.00 0.00 H new ATOM 0 HA GLU A 19 1.015 -68.700 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.896 -69.296 4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.593 -70.450 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.656 -70.905 5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.067 -70.246 6.332 1.00 0.00 H new ATOM 314 N ALA A 20 1.518 -67.940 2.361 1.00 0.00 N ATOM 315 CA ALA A 20 1.838 -67.598 0.987 1.00 0.00 C ATOM 316 C ALA A 20 2.933 -68.500 0.439 1.00 0.00 C ATOM 317 O ALA A 20 3.886 -68.838 1.143 1.00 0.00 O ATOM 318 CB ALA A 20 2.253 -66.138 0.904 1.00 0.00 C ATOM 0 H ALA A 20 2.319 -67.941 2.993 1.00 0.00 H new ATOM 0 HA ALA A 20 0.949 -67.750 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.492 -65.886 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.435 -65.507 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.130 -65.973 1.530 1.00 0.00 H new ATOM 324 N VAL A 21 2.790 -68.897 -0.818 1.00 0.00 N ATOM 325 CA VAL A 21 3.778 -69.752 -1.457 1.00 0.00 C ATOM 326 C VAL A 21 4.959 -68.941 -1.980 1.00 0.00 C ATOM 327 O VAL A 21 6.052 -69.478 -2.168 1.00 0.00 O ATOM 328 CB VAL A 21 3.170 -70.570 -2.620 1.00 0.00 C ATOM 329 CG1 VAL A 21 2.047 -71.464 -2.119 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.672 -69.658 -3.734 1.00 0.00 C ATOM 0 H VAL A 21 2.002 -68.641 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 21 4.127 -70.443 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 21 3.958 -71.202 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.633 -72.031 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.437 -72.153 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.264 -70.850 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.250 -70.262 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.906 -68.990 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.504 -69.069 -4.121 1.00 0.00 H new ATOM 340 N ASP A 22 4.748 -67.648 -2.208 1.00 0.00 N ATOM 341 CA ASP A 22 5.794 -66.807 -2.772 1.00 0.00 C ATOM 342 C ASP A 22 5.739 -65.405 -2.183 1.00 0.00 C ATOM 343 O ASP A 22 4.688 -64.968 -1.706 1.00 0.00 O ATOM 344 CB ASP A 22 5.645 -66.744 -4.292 1.00 0.00 C ATOM 345 CG ASP A 22 6.812 -66.052 -4.963 1.00 0.00 C ATOM 346 OD1 ASP A 22 7.855 -66.703 -5.175 1.00 0.00 O ATOM 347 OD2 ASP A 22 6.689 -64.849 -5.279 1.00 0.00 O ATOM 0 H ASP A 22 3.871 -67.165 -2.013 1.00 0.00 H new ATOM 0 HA ASP A 22 6.761 -67.244 -2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.552 -67.756 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.723 -66.218 -4.542 1.00 0.00 H new ATOM 352 N ALA A 23 6.873 -64.710 -2.220 1.00 0.00 N ATOM 353 CA ALA A 23 6.970 -63.353 -1.703 1.00 0.00 C ATOM 354 C ALA A 23 6.010 -62.422 -2.429 1.00 0.00 C ATOM 355 O ALA A 23 5.372 -61.573 -1.809 1.00 0.00 O ATOM 356 CB ALA A 23 8.397 -62.839 -1.824 1.00 0.00 C ATOM 0 H ALA A 23 7.745 -65.071 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 23 6.692 -63.373 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.452 -61.823 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.066 -63.484 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.697 -62.841 -2.872 1.00 0.00 H new ATOM 362 N ALA A 24 5.892 -62.605 -3.738 1.00 0.00 N ATOM 363 CA ALA A 24 5.002 -61.780 -4.541 1.00 0.00 C ATOM 364 C ALA A 24 3.551 -62.030 -4.156 1.00 0.00 C ATOM 365 O ALA A 24 2.722 -61.125 -4.204 1.00 0.00 O ATOM 366 CB ALA A 24 5.215 -62.051 -6.020 1.00 0.00 C ATOM 0 H ALA A 24 6.400 -63.316 -4.264 1.00 0.00 H new ATOM 0 HA ALA A 24 5.234 -60.733 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.541 -61.425 -6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.247 -61.822 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.010 -63.101 -6.231 1.00 0.00 H new ATOM 372 N THR A 25 3.257 -63.262 -3.765 1.00 0.00 N ATOM 373 CA THR A 25 1.931 -63.616 -3.294 1.00 0.00 C ATOM 374 C THR A 25 1.660 -62.961 -1.941 1.00 0.00 C ATOM 375 O THR A 25 0.607 -62.359 -1.720 1.00 0.00 O ATOM 376 CB THR A 25 1.780 -65.147 -3.157 1.00 0.00 C ATOM 377 OG1 THR A 25 2.204 -65.788 -4.366 1.00 0.00 O ATOM 378 CG2 THR A 25 0.337 -65.519 -2.861 1.00 0.00 C ATOM 0 H THR A 25 3.924 -64.034 -3.766 1.00 0.00 H new ATOM 0 HA THR A 25 1.210 -63.256 -4.028 1.00 0.00 H new ATOM 0 HB THR A 25 2.404 -65.483 -2.329 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.108 -66.759 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.252 -66.602 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.024 -65.049 -1.929 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.302 -65.173 -3.674 1.00 0.00 H new ATOM 386 N ALA A 26 2.641 -63.063 -1.055 1.00 0.00 N ATOM 387 CA ALA A 26 2.519 -62.544 0.297 1.00 0.00 C ATOM 388 C ALA A 26 2.381 -61.032 0.309 1.00 0.00 C ATOM 389 O ALA A 26 1.534 -60.488 1.017 1.00 0.00 O ATOM 390 CB ALA A 26 3.722 -62.954 1.123 1.00 0.00 C ATOM 0 H ALA A 26 3.538 -63.506 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 26 1.614 -62.968 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.620 -62.560 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.783 -64.042 1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.629 -62.556 0.668 1.00 0.00 H new ATOM 396 N GLU A 27 3.207 -60.356 -0.483 1.00 0.00 N ATOM 397 CA GLU A 27 3.226 -58.902 -0.482 1.00 0.00 C ATOM 398 C GLU A 27 1.875 -58.343 -0.927 1.00 0.00 C ATOM 399 O GLU A 27 1.458 -57.290 -0.466 1.00 0.00 O ATOM 400 CB GLU A 27 4.341 -58.356 -1.382 1.00 0.00 C ATOM 401 CG GLU A 27 4.085 -58.539 -2.867 1.00 0.00 C ATOM 402 CD GLU A 27 5.101 -57.827 -3.731 1.00 0.00 C ATOM 403 OE1 GLU A 27 5.210 -56.585 -3.628 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.765 -58.493 -4.547 1.00 0.00 O ATOM 0 H GLU A 27 3.867 -60.790 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 27 3.424 -58.579 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.473 -57.294 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.277 -58.850 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.096 -59.603 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.088 -58.169 -3.107 1.00 0.00 H new ATOM 411 N LYS A 28 1.189 -59.067 -1.811 1.00 0.00 N ATOM 412 CA LYS A 28 -0.114 -58.643 -2.319 1.00 0.00 C ATOM 413 C LYS A 28 -1.155 -58.627 -1.206 1.00 0.00 C ATOM 414 O LYS A 28 -2.029 -57.758 -1.164 1.00 0.00 O ATOM 415 CB LYS A 28 -0.564 -59.579 -3.439 1.00 0.00 C ATOM 416 CG LYS A 28 0.235 -59.419 -4.722 1.00 0.00 C ATOM 417 CD LYS A 28 -0.105 -58.121 -5.438 1.00 0.00 C ATOM 418 CE LYS A 28 -1.492 -58.173 -6.062 1.00 0.00 C ATOM 419 NZ LYS A 28 -1.608 -59.273 -7.061 1.00 0.00 N ATOM 0 H LYS A 28 1.517 -59.955 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.016 -57.630 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.481 -60.610 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.618 -59.398 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.300 -59.440 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.035 -60.262 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.053 -57.291 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.636 -57.927 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.238 -58.312 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.710 -57.220 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.420 -59.091 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.738 -59.319 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.747 -60.177 -6.567 1.00 0.00 H new ATOM 433 N VAL A 29 -1.052 -59.591 -0.306 1.00 0.00 N ATOM 434 CA VAL A 29 -1.965 -59.686 0.823 1.00 0.00 C ATOM 435 C VAL A 29 -1.609 -58.651 1.872 1.00 0.00 C ATOM 436 O VAL A 29 -2.480 -57.990 2.441 1.00 0.00 O ATOM 437 CB VAL A 29 -1.922 -61.090 1.446 1.00 0.00 C ATOM 438 CG1 VAL A 29 -2.977 -61.245 2.532 1.00 0.00 C ATOM 439 CG2 VAL A 29 -2.102 -62.123 0.358 1.00 0.00 C ATOM 0 H VAL A 29 -0.342 -60.323 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.975 -59.498 0.458 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.952 -61.238 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.921 -62.249 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.800 -60.511 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.966 -61.086 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.072 -63.121 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.063 -61.971 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.301 -62.024 -0.374 1.00 0.00 H new ATOM 449 N PHE A 30 -0.314 -58.503 2.109 1.00 0.00 N ATOM 450 CA PHE A 30 0.181 -57.499 3.032 1.00 0.00 C ATOM 451 C PHE A 30 -0.196 -56.108 2.539 1.00 0.00 C ATOM 452 O PHE A 30 -0.535 -55.228 3.330 1.00 0.00 O ATOM 453 CB PHE A 30 1.701 -57.601 3.178 1.00 0.00 C ATOM 454 CG PHE A 30 2.186 -58.900 3.758 1.00 0.00 C ATOM 455 CD1 PHE A 30 1.363 -59.681 4.555 1.00 0.00 C ATOM 456 CD2 PHE A 30 3.478 -59.331 3.513 1.00 0.00 C ATOM 457 CE1 PHE A 30 1.820 -60.868 5.092 1.00 0.00 C ATOM 458 CE2 PHE A 30 3.944 -60.518 4.045 1.00 0.00 C ATOM 459 CZ PHE A 30 3.111 -61.288 4.838 1.00 0.00 C ATOM 0 H PHE A 30 0.413 -59.069 1.672 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.275 -57.673 4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.157 -57.462 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.048 -56.783 3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.353 -59.357 4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.131 -58.731 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.168 -61.468 5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.954 -60.844 3.843 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.470 -62.216 5.258 1.00 0.00 H new ATOM 469 N LYS A 31 -0.157 -55.926 1.221 1.00 0.00 N ATOM 470 CA LYS A 31 -0.513 -54.649 0.620 1.00 0.00 C ATOM 471 C LYS A 31 -1.984 -54.356 0.831 1.00 0.00 C ATOM 472 O LYS A 31 -2.362 -53.208 1.054 1.00 0.00 O ATOM 473 CB LYS A 31 -0.185 -54.615 -0.875 1.00 0.00 C ATOM 474 CG LYS A 31 1.278 -54.330 -1.176 1.00 0.00 C ATOM 475 CD LYS A 31 1.529 -54.235 -2.671 1.00 0.00 C ATOM 476 CE LYS A 31 2.969 -53.855 -2.977 1.00 0.00 C ATOM 477 NZ LYS A 31 3.314 -52.498 -2.472 1.00 0.00 N ATOM 0 H LYS A 31 0.117 -56.646 0.553 1.00 0.00 H new ATOM 0 HA LYS A 31 0.082 -53.880 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.458 -55.572 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.800 -53.854 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.575 -53.397 -0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.899 -55.119 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.298 -55.191 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.857 -53.495 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.639 -54.588 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.131 -53.892 -4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.881 -51.996 -3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.441 -51.965 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.862 -52.584 -1.592 1.00 0.00 H new ATOM 491 N GLN A 32 -2.813 -55.393 0.775 1.00 0.00 N ATOM 492 CA GLN A 32 -4.237 -55.221 1.009 1.00 0.00 C ATOM 493 C GLN A 32 -4.459 -54.735 2.435 1.00 0.00 C ATOM 494 O GLN A 32 -5.178 -53.764 2.663 1.00 0.00 O ATOM 495 CB GLN A 32 -4.985 -56.539 0.757 1.00 0.00 C ATOM 496 CG GLN A 32 -6.502 -56.396 0.683 1.00 0.00 C ATOM 497 CD GLN A 32 -7.168 -56.230 2.040 1.00 0.00 C ATOM 498 OE1 GLN A 32 -6.705 -56.762 3.049 1.00 0.00 O ATOM 499 NE2 GLN A 32 -8.249 -55.471 2.074 1.00 0.00 N ATOM 0 H GLN A 32 -2.525 -56.350 0.572 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.630 -54.477 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.627 -56.974 -0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.736 -57.242 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.747 -55.535 0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.917 -57.275 0.190 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.602 -55.047 1.216 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.731 -55.309 2.958 1.00 0.00 H new ATOM 508 N TYR A 33 -3.807 -55.396 3.384 1.00 0.00 N ATOM 509 CA TYR A 33 -3.949 -55.058 4.793 1.00 0.00 C ATOM 510 C TYR A 33 -3.491 -53.623 5.052 1.00 0.00 C ATOM 511 O TYR A 33 -4.197 -52.839 5.691 1.00 0.00 O ATOM 512 CB TYR A 33 -3.135 -56.032 5.654 1.00 0.00 C ATOM 513 CG TYR A 33 -3.536 -56.039 7.113 1.00 0.00 C ATOM 514 CD1 TYR A 33 -3.022 -55.105 8.002 1.00 0.00 C ATOM 515 CD2 TYR A 33 -4.434 -56.981 7.599 1.00 0.00 C ATOM 516 CE1 TYR A 33 -3.389 -55.109 9.332 1.00 0.00 C ATOM 517 CE2 TYR A 33 -4.805 -56.993 8.929 1.00 0.00 C ATOM 518 CZ TYR A 33 -4.279 -56.055 9.791 1.00 0.00 C ATOM 519 OH TYR A 33 -4.648 -56.061 11.118 1.00 0.00 O ATOM 0 H TYR A 33 -3.172 -56.173 3.201 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.002 -55.139 5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.247 -57.039 5.251 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.079 -55.774 5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.323 -54.363 7.647 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.849 -57.716 6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.981 -54.374 10.010 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.503 -57.733 9.292 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.283 -56.790 11.278 1.00 0.00 H new ATOM 529 N ALA A 34 -2.313 -53.286 4.544 1.00 0.00 N ATOM 530 CA ALA A 34 -1.729 -51.968 4.759 1.00 0.00 C ATOM 531 C ALA A 34 -2.555 -50.872 4.090 1.00 0.00 C ATOM 532 O ALA A 34 -2.922 -49.879 4.726 1.00 0.00 O ATOM 533 CB ALA A 34 -0.296 -51.940 4.248 1.00 0.00 C ATOM 0 H ALA A 34 -1.740 -53.911 3.977 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.729 -51.772 5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.130 -50.951 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.295 -52.684 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.286 -52.165 3.182 1.00 0.00 H new ATOM 539 N ASN A 35 -2.866 -51.072 2.813 1.00 0.00 N ATOM 540 CA ASN A 35 -3.603 -50.084 2.026 1.00 0.00 C ATOM 541 C ASN A 35 -4.990 -49.841 2.603 1.00 0.00 C ATOM 542 O ASN A 35 -5.458 -48.702 2.664 1.00 0.00 O ATOM 543 CB ASN A 35 -3.721 -50.548 0.569 1.00 0.00 C ATOM 544 CG ASN A 35 -4.585 -49.629 -0.274 1.00 0.00 C ATOM 545 OD1 ASN A 35 -5.797 -49.825 -0.382 1.00 0.00 O ATOM 546 ND2 ASN A 35 -3.972 -48.629 -0.884 1.00 0.00 N ATOM 0 H ASN A 35 -2.618 -51.916 2.296 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.048 -49.147 2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.725 -50.607 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.139 -51.554 0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.504 -47.986 -1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.967 -48.501 -0.769 1.00 0.00 H new ATOM 553 N ASP A 36 -5.632 -50.912 3.049 1.00 0.00 N ATOM 554 CA ASP A 36 -6.997 -50.832 3.560 1.00 0.00 C ATOM 555 C ASP A 36 -7.043 -50.048 4.863 1.00 0.00 C ATOM 556 O ASP A 36 -7.985 -49.296 5.116 1.00 0.00 O ATOM 557 CB ASP A 36 -7.568 -52.232 3.775 1.00 0.00 C ATOM 558 CG ASP A 36 -8.984 -52.205 4.303 1.00 0.00 C ATOM 559 OD1 ASP A 36 -9.920 -52.011 3.498 1.00 0.00 O ATOM 560 OD2 ASP A 36 -9.172 -52.388 5.522 1.00 0.00 O ATOM 0 H ASP A 36 -5.230 -51.849 3.068 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.604 -50.310 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.546 -52.779 2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.933 -52.776 4.474 1.00 0.00 H new ATOM 565 N ASN A 37 -6.015 -50.221 5.682 1.00 0.00 N ATOM 566 CA ASN A 37 -5.929 -49.509 6.948 1.00 0.00 C ATOM 567 C ASN A 37 -5.522 -48.058 6.730 1.00 0.00 C ATOM 568 O ASN A 37 -5.972 -47.166 7.448 1.00 0.00 O ATOM 569 CB ASN A 37 -4.952 -50.203 7.899 1.00 0.00 C ATOM 570 CG ASN A 37 -5.592 -51.362 8.639 1.00 0.00 C ATOM 571 OD1 ASN A 37 -6.171 -51.189 9.711 1.00 0.00 O ATOM 572 ND2 ASN A 37 -5.486 -52.558 8.081 1.00 0.00 N ATOM 0 H ASN A 37 -5.232 -50.846 5.493 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.918 -49.521 7.406 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.094 -50.566 7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.575 -49.478 8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.892 -53.373 8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.999 -52.664 7.191 1.00 0.00 H new ATOM 579 N GLY A 38 -4.679 -47.817 5.734 1.00 0.00 N ATOM 580 CA GLY A 38 -4.296 -46.456 5.416 1.00 0.00 C ATOM 581 C GLY A 38 -2.812 -46.200 5.583 1.00 0.00 C ATOM 582 O GLY A 38 -2.367 -45.054 5.558 1.00 0.00 O ATOM 0 H GLY A 38 -4.256 -48.534 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.583 -46.235 4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.851 -45.770 6.056 1.00 0.00 H new ATOM 586 N VAL A 39 -2.046 -47.260 5.765 1.00 0.00 N ATOM 587 CA VAL A 39 -0.610 -47.131 5.912 1.00 0.00 C ATOM 588 C VAL A 39 0.103 -47.528 4.620 1.00 0.00 C ATOM 589 O VAL A 39 0.345 -48.703 4.347 1.00 0.00 O ATOM 590 CB VAL A 39 -0.091 -47.948 7.121 1.00 0.00 C ATOM 591 CG1 VAL A 39 -0.607 -49.374 7.085 1.00 0.00 C ATOM 592 CG2 VAL A 39 1.429 -47.923 7.189 1.00 0.00 C ATOM 0 H VAL A 39 -2.394 -48.217 5.814 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.384 -46.083 6.111 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.476 -47.477 8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.225 -49.921 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.697 -49.367 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.271 -49.860 6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.764 -48.505 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.841 -48.353 6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.772 -46.893 7.292 1.00 0.00 H new ATOM 602 N ASP A 40 0.387 -46.529 3.805 1.00 0.00 N ATOM 603 CA ASP A 40 1.122 -46.733 2.569 1.00 0.00 C ATOM 604 C ASP A 40 2.570 -46.318 2.766 1.00 0.00 C ATOM 605 O ASP A 40 2.850 -45.165 3.100 1.00 0.00 O ATOM 606 CB ASP A 40 0.489 -45.929 1.429 1.00 0.00 C ATOM 607 CG ASP A 40 1.241 -46.089 0.123 1.00 0.00 C ATOM 608 OD1 ASP A 40 1.091 -47.138 -0.532 1.00 0.00 O ATOM 609 OD2 ASP A 40 1.986 -45.158 -0.254 1.00 0.00 O ATOM 0 H ASP A 40 0.118 -45.561 3.978 1.00 0.00 H new ATOM 0 HA ASP A 40 1.084 -47.789 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.544 -46.249 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.462 -44.874 1.703 1.00 0.00 H new ATOM 614 N GLY A 41 3.483 -47.253 2.577 1.00 0.00 N ATOM 615 CA GLY A 41 4.875 -46.978 2.860 1.00 0.00 C ATOM 616 C GLY A 41 5.826 -47.711 1.941 1.00 0.00 C ATOM 617 O GLY A 41 5.406 -48.352 0.976 1.00 0.00 O ATOM 0 H GLY A 41 3.289 -48.194 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.051 -45.906 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.091 -47.255 3.892 1.00 0.00 H new ATOM 621 N GLU A 42 7.114 -47.608 2.245 1.00 0.00 N ATOM 622 CA GLU A 42 8.149 -48.282 1.476 1.00 0.00 C ATOM 623 C GLU A 42 8.286 -49.723 1.951 1.00 0.00 C ATOM 624 O GLU A 42 8.479 -49.974 3.140 1.00 0.00 O ATOM 625 CB GLU A 42 9.480 -47.542 1.630 1.00 0.00 C ATOM 626 CG GLU A 42 10.571 -48.028 0.691 1.00 0.00 C ATOM 627 CD GLU A 42 10.193 -47.869 -0.766 1.00 0.00 C ATOM 628 OE1 GLU A 42 10.026 -46.720 -1.218 1.00 0.00 O ATOM 629 OE2 GLU A 42 10.050 -48.894 -1.467 1.00 0.00 O ATOM 0 H GLU A 42 7.468 -47.058 3.028 1.00 0.00 H new ATOM 0 HA GLU A 42 7.871 -48.283 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.314 -46.478 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.826 -47.649 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.489 -47.474 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.782 -49.078 0.896 1.00 0.00 H new ATOM 636 N TRP A 43 8.175 -50.660 1.024 1.00 0.00 N ATOM 637 CA TRP A 43 8.187 -52.070 1.362 1.00 0.00 C ATOM 638 C TRP A 43 9.586 -52.654 1.287 1.00 0.00 C ATOM 639 O TRP A 43 10.182 -52.744 0.211 1.00 0.00 O ATOM 640 CB TRP A 43 7.244 -52.841 0.440 1.00 0.00 C ATOM 641 CG TRP A 43 5.807 -52.495 0.660 1.00 0.00 C ATOM 642 CD1 TRP A 43 5.145 -51.397 0.198 1.00 0.00 C ATOM 643 CD2 TRP A 43 4.857 -53.252 1.409 1.00 0.00 C ATOM 644 NE1 TRP A 43 3.841 -51.423 0.622 1.00 0.00 N ATOM 645 CE2 TRP A 43 3.639 -52.551 1.366 1.00 0.00 C ATOM 646 CE3 TRP A 43 4.921 -54.454 2.114 1.00 0.00 C ATOM 647 CZ2 TRP A 43 2.494 -53.016 2.002 1.00 0.00 C ATOM 648 CZ3 TRP A 43 3.785 -54.912 2.745 1.00 0.00 C ATOM 649 CH2 TRP A 43 2.584 -54.195 2.684 1.00 0.00 C ATOM 0 H TRP A 43 8.075 -50.466 0.028 1.00 0.00 H new ATOM 0 HA TRP A 43 7.843 -52.166 2.392 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.508 -52.634 -0.597 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.384 -53.911 0.597 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.583 -50.621 -0.412 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.136 -50.715 0.415 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.843 -55.015 2.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 1.567 -52.464 1.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.822 -55.840 3.296 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.711 -54.583 3.187 1.00 0.00 H new ATOM 660 N THR A 44 10.110 -53.031 2.436 1.00 0.00 N ATOM 661 CA THR A 44 11.369 -53.741 2.506 1.00 0.00 C ATOM 662 C THR A 44 11.110 -55.205 2.845 1.00 0.00 C ATOM 663 O THR A 44 10.187 -55.516 3.595 1.00 0.00 O ATOM 664 CB THR A 44 12.311 -53.112 3.553 1.00 0.00 C ATOM 665 OG1 THR A 44 11.623 -52.944 4.799 1.00 0.00 O ATOM 666 CG2 THR A 44 12.833 -51.768 3.072 1.00 0.00 C ATOM 0 H THR A 44 9.677 -52.855 3.342 1.00 0.00 H new ATOM 0 HA THR A 44 11.858 -53.671 1.534 1.00 0.00 H new ATOM 0 HB THR A 44 13.157 -53.784 3.696 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.164 -53.321 5.525 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.495 -51.344 3.827 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.384 -51.904 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.995 -51.092 2.903 1.00 0.00 H new ATOM 674 N TYR A 45 11.899 -56.096 2.281 1.00 0.00 N ATOM 675 CA TYR A 45 11.707 -57.520 2.502 1.00 0.00 C ATOM 676 C TYR A 45 13.017 -58.184 2.891 1.00 0.00 C ATOM 677 O TYR A 45 14.051 -57.961 2.257 1.00 0.00 O ATOM 678 CB TYR A 45 11.117 -58.179 1.248 1.00 0.00 C ATOM 679 CG TYR A 45 11.138 -59.696 1.265 1.00 0.00 C ATOM 680 CD1 TYR A 45 10.200 -60.436 1.987 1.00 0.00 C ATOM 681 CD2 TYR A 45 12.107 -60.391 0.552 1.00 0.00 C ATOM 682 CE1 TYR A 45 10.234 -61.818 1.987 1.00 0.00 C ATOM 683 CE2 TYR A 45 12.145 -61.770 0.551 1.00 0.00 C ATOM 684 CZ TYR A 45 11.207 -62.478 1.269 1.00 0.00 C ATOM 685 OH TYR A 45 11.243 -63.854 1.264 1.00 0.00 O ATOM 0 H TYR A 45 12.679 -55.863 1.667 1.00 0.00 H new ATOM 0 HA TYR A 45 11.004 -57.650 3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 45 10.087 -57.844 1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 45 11.670 -57.830 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.437 -59.922 2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 45 12.845 -59.841 -0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.500 -62.378 2.548 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.906 -62.292 -0.010 1.00 0.00 H new ATOM 0 HH TYR A 45 11.990 -64.160 0.708 1.00 0.00 H new ATOM 695 N ASP A 46 12.966 -58.982 3.947 1.00 0.00 N ATOM 696 CA ASP A 46 14.121 -59.740 4.392 1.00 0.00 C ATOM 697 C ASP A 46 13.887 -61.220 4.150 1.00 0.00 C ATOM 698 O ASP A 46 12.993 -61.816 4.749 1.00 0.00 O ATOM 699 CB ASP A 46 14.396 -59.502 5.881 1.00 0.00 C ATOM 700 CG ASP A 46 14.780 -58.071 6.188 1.00 0.00 C ATOM 701 OD1 ASP A 46 15.869 -57.637 5.751 1.00 0.00 O ATOM 702 OD2 ASP A 46 14.005 -57.375 6.874 1.00 0.00 O ATOM 0 H ASP A 46 12.129 -59.120 4.514 1.00 0.00 H new ATOM 0 HA ASP A 46 14.988 -59.405 3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.508 -59.766 6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.196 -60.166 6.208 1.00 0.00 H new ATOM 707 N ASP A 47 14.688 -61.808 3.276 1.00 0.00 N ATOM 708 CA ASP A 47 14.537 -63.215 2.921 1.00 0.00 C ATOM 709 C ASP A 47 14.849 -64.118 4.111 1.00 0.00 C ATOM 710 O ASP A 47 14.274 -65.196 4.245 1.00 0.00 O ATOM 711 CB ASP A 47 15.452 -63.575 1.741 1.00 0.00 C ATOM 712 CG ASP A 47 16.890 -63.810 2.162 1.00 0.00 C ATOM 713 OD1 ASP A 47 17.594 -62.830 2.484 1.00 0.00 O ATOM 714 OD2 ASP A 47 17.320 -64.983 2.180 1.00 0.00 O ATOM 0 H ASP A 47 15.453 -61.333 2.796 1.00 0.00 H new ATOM 0 HA ASP A 47 13.499 -63.374 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.070 -64.471 1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.421 -62.772 1.005 1.00 0.00 H new ATOM 719 N ALA A 48 15.745 -63.655 4.979 1.00 0.00 N ATOM 720 CA ALA A 48 16.193 -64.443 6.122 1.00 0.00 C ATOM 721 C ALA A 48 15.044 -64.765 7.072 1.00 0.00 C ATOM 722 O ALA A 48 14.938 -65.879 7.577 1.00 0.00 O ATOM 723 CB ALA A 48 17.301 -63.709 6.863 1.00 0.00 C ATOM 0 H ALA A 48 16.176 -62.733 4.911 1.00 0.00 H new ATOM 0 HA ALA A 48 16.580 -65.388 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.627 -64.307 7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.143 -63.546 6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.928 -62.748 7.216 1.00 0.00 H new ATOM 729 N THR A 49 14.176 -63.794 7.298 1.00 0.00 N ATOM 730 CA THR A 49 13.075 -63.970 8.231 1.00 0.00 C ATOM 731 C THR A 49 11.724 -63.954 7.510 1.00 0.00 C ATOM 732 O THR A 49 10.673 -64.071 8.143 1.00 0.00 O ATOM 733 CB THR A 49 13.123 -62.894 9.340 1.00 0.00 C ATOM 734 OG1 THR A 49 11.912 -62.871 10.106 1.00 0.00 O ATOM 735 CG2 THR A 49 13.405 -61.534 8.748 1.00 0.00 C ATOM 0 H THR A 49 14.211 -62.878 6.850 1.00 0.00 H new ATOM 0 HA THR A 49 13.186 -64.948 8.698 1.00 0.00 H new ATOM 0 HB THR A 49 13.936 -63.154 10.018 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.285 -63.533 9.747 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.435 -60.790 9.544 1.00 0.00 H new ATOM 0 HG22 THR A 49 14.365 -61.553 8.233 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.618 -61.276 8.039 1.00 0.00 H new ATOM 743 N LYS A 50 11.766 -63.826 6.182 1.00 0.00 N ATOM 744 CA LYS A 50 10.555 -63.814 5.352 1.00 0.00 C ATOM 745 C LYS A 50 9.633 -62.670 5.766 1.00 0.00 C ATOM 746 O LYS A 50 8.409 -62.814 5.801 1.00 0.00 O ATOM 747 CB LYS A 50 9.819 -65.157 5.457 1.00 0.00 C ATOM 748 CG LYS A 50 10.653 -66.356 5.025 1.00 0.00 C ATOM 749 CD LYS A 50 11.040 -66.278 3.556 1.00 0.00 C ATOM 750 CE LYS A 50 11.793 -67.523 3.100 1.00 0.00 C ATOM 751 NZ LYS A 50 13.122 -67.657 3.753 1.00 0.00 N ATOM 0 H LYS A 50 12.633 -63.728 5.653 1.00 0.00 H new ATOM 0 HA LYS A 50 10.852 -63.661 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.497 -65.304 6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.918 -65.115 4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.554 -66.410 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.091 -67.273 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.142 -66.154 2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.660 -65.397 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.194 -68.407 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.925 -67.488 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.814 -68.010 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.429 -66.729 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.053 -68.326 4.546 1.00 0.00 H new ATOM 765 N THR A 51 10.230 -61.526 6.056 1.00 0.00 N ATOM 766 CA THR A 51 9.494 -60.392 6.585 1.00 0.00 C ATOM 767 C THR A 51 9.307 -59.292 5.544 1.00 0.00 C ATOM 768 O THR A 51 10.212 -58.999 4.761 1.00 0.00 O ATOM 769 CB THR A 51 10.228 -59.804 7.801 1.00 0.00 C ATOM 770 OG1 THR A 51 11.613 -59.641 7.490 1.00 0.00 O ATOM 771 CG2 THR A 51 10.063 -60.690 9.020 1.00 0.00 C ATOM 0 H THR A 51 11.229 -61.359 5.933 1.00 0.00 H new ATOM 0 HA THR A 51 8.510 -60.760 6.877 1.00 0.00 H new ATOM 0 HB THR A 51 9.792 -58.833 8.034 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.048 -59.122 8.198 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.593 -60.249 9.865 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.004 -60.781 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.473 -61.678 8.810 1.00 0.00 H new ATOM 779 N PHE A 52 8.122 -58.702 5.538 1.00 0.00 N ATOM 780 CA PHE A 52 7.847 -57.518 4.742 1.00 0.00 C ATOM 781 C PHE A 52 7.594 -56.338 5.664 1.00 0.00 C ATOM 782 O PHE A 52 6.598 -56.311 6.383 1.00 0.00 O ATOM 783 CB PHE A 52 6.622 -57.715 3.845 1.00 0.00 C ATOM 784 CG PHE A 52 6.882 -58.504 2.594 1.00 0.00 C ATOM 785 CD1 PHE A 52 7.269 -57.863 1.428 1.00 0.00 C ATOM 786 CD2 PHE A 52 6.717 -59.878 2.575 1.00 0.00 C ATOM 787 CE1 PHE A 52 7.490 -58.578 0.268 1.00 0.00 C ATOM 788 CE2 PHE A 52 6.930 -60.598 1.416 1.00 0.00 C ATOM 789 CZ PHE A 52 7.318 -59.949 0.262 1.00 0.00 C ATOM 0 H PHE A 52 7.326 -59.030 6.084 1.00 0.00 H new ATOM 0 HA PHE A 52 8.714 -57.332 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.844 -58.217 4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.231 -56.736 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.399 -56.791 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.418 -60.393 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.797 -58.067 -0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.793 -61.669 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.487 -60.511 -0.644 1.00 0.00 H new ATOM 799 N THR A 53 8.491 -55.376 5.651 1.00 0.00 N ATOM 800 CA THR A 53 8.334 -54.188 6.465 1.00 0.00 C ATOM 801 C THR A 53 7.774 -53.056 5.619 1.00 0.00 C ATOM 802 O THR A 53 8.390 -52.642 4.637 1.00 0.00 O ATOM 803 CB THR A 53 9.676 -53.746 7.085 1.00 0.00 C ATOM 804 OG1 THR A 53 10.337 -54.872 7.677 1.00 0.00 O ATOM 805 CG2 THR A 53 9.463 -52.664 8.140 1.00 0.00 C ATOM 0 H THR A 53 9.339 -55.393 5.085 1.00 0.00 H new ATOM 0 HA THR A 53 7.645 -54.427 7.275 1.00 0.00 H new ATOM 0 HB THR A 53 10.297 -53.335 6.289 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.189 -54.584 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.425 -52.371 8.560 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.989 -51.797 7.681 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.823 -53.050 8.933 1.00 0.00 H new ATOM 813 N VAL A 54 6.605 -52.564 5.988 1.00 0.00 N ATOM 814 CA VAL A 54 6.016 -51.444 5.283 1.00 0.00 C ATOM 815 C VAL A 54 6.338 -50.166 6.048 1.00 0.00 C ATOM 816 O VAL A 54 5.787 -49.892 7.112 1.00 0.00 O ATOM 817 CB VAL A 54 4.487 -51.627 5.081 1.00 0.00 C ATOM 818 CG1 VAL A 54 3.758 -51.825 6.401 1.00 0.00 C ATOM 819 CG2 VAL A 54 3.895 -50.455 4.320 1.00 0.00 C ATOM 0 H VAL A 54 6.050 -52.920 6.766 1.00 0.00 H new ATOM 0 HA VAL A 54 6.443 -51.383 4.282 1.00 0.00 H new ATOM 0 HB VAL A 54 4.350 -52.532 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.692 -51.949 6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.144 -52.714 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.915 -50.954 7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.823 -50.608 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.066 -49.535 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.370 -50.379 3.342 1.00 0.00 H new ATOM 829 N THR A 55 7.275 -49.404 5.512 1.00 0.00 N ATOM 830 CA THR A 55 7.830 -48.275 6.231 1.00 0.00 C ATOM 831 C THR A 55 7.138 -46.969 5.866 1.00 0.00 C ATOM 832 O THR A 55 7.452 -46.349 4.845 1.00 0.00 O ATOM 833 CB THR A 55 9.339 -48.139 5.954 1.00 0.00 C ATOM 834 OG1 THR A 55 9.979 -49.420 6.071 1.00 0.00 O ATOM 835 CG2 THR A 55 9.977 -47.163 6.930 1.00 0.00 C ATOM 0 H THR A 55 7.666 -49.548 4.581 1.00 0.00 H new ATOM 0 HA THR A 55 7.665 -48.468 7.291 1.00 0.00 H new ATOM 0 HB THR A 55 9.468 -47.760 4.940 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.938 -49.324 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.043 -47.081 6.718 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.509 -46.184 6.824 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.837 -47.523 7.949 1.00 0.00 H new ATOM 843 N GLU A 56 6.180 -46.572 6.685 1.00 0.00 N ATOM 844 CA GLU A 56 5.594 -45.248 6.593 1.00 0.00 C ATOM 845 C GLU A 56 6.149 -44.410 7.743 1.00 0.00 C ATOM 846 O GLU A 56 5.750 -44.574 8.900 1.00 0.00 O ATOM 847 CB GLU A 56 4.061 -45.338 6.640 1.00 0.00 C ATOM 848 CG GLU A 56 3.329 -44.062 6.238 1.00 0.00 C ATOM 849 CD GLU A 56 3.354 -42.995 7.312 1.00 0.00 C ATOM 850 OE1 GLU A 56 2.777 -43.219 8.398 1.00 0.00 O ATOM 851 OE2 GLU A 56 3.945 -41.926 7.070 1.00 0.00 O ATOM 0 H GLU A 56 5.789 -47.153 7.427 1.00 0.00 H new ATOM 0 HA GLU A 56 5.852 -44.775 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.739 -46.146 5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.759 -45.609 7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.780 -43.664 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.293 -44.305 6.000 1.00 0.00 H new ATOM 1062 N THR A 71 -14.980 -10.560 0.822 1.00 0.00 N ATOM 1063 CA THR A 71 -15.508 -9.992 -0.397 1.00 0.00 C ATOM 1064 C THR A 71 -15.745 -8.503 -0.181 1.00 0.00 C ATOM 1065 O THR A 71 -16.815 -8.085 0.266 1.00 0.00 O ATOM 1066 CB THR A 71 -16.812 -10.693 -0.819 1.00 0.00 C ATOM 1067 OG1 THR A 71 -16.654 -12.116 -0.700 1.00 0.00 O ATOM 1068 CG2 THR A 71 -17.171 -10.345 -2.256 1.00 0.00 C ATOM 0 HA THR A 71 -14.787 -10.138 -1.202 1.00 0.00 H new ATOM 0 HB THR A 71 -17.615 -10.352 -0.165 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.004 -12.315 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 71 -18.096 -10.851 -2.533 1.00 0.00 H new ATOM 0 HG22 THR A 71 -17.306 -9.267 -2.346 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.368 -10.667 -2.920 1.00 0.00 H new ATOM 1076 N SER A 72 -14.715 -7.715 -0.443 1.00 0.00 N ATOM 1077 CA SER A 72 -14.757 -6.291 -0.174 1.00 0.00 C ATOM 1078 C SER A 72 -15.476 -5.533 -1.284 1.00 0.00 C ATOM 1079 O SER A 72 -15.187 -5.706 -2.469 1.00 0.00 O ATOM 1080 CB SER A 72 -13.336 -5.751 -0.004 1.00 0.00 C ATOM 1081 OG SER A 72 -12.650 -6.447 1.023 1.00 0.00 O ATOM 0 H SER A 72 -13.836 -8.042 -0.844 1.00 0.00 H new ATOM 0 HA SER A 72 -15.316 -6.139 0.749 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.791 -5.849 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.373 -4.688 0.233 1.00 0.00 H new ATOM 0 HG SER A 72 -11.743 -6.086 1.113 1.00 0.00 H new ATOM 1087 N LEU A 73 -16.426 -4.709 -0.885 1.00 0.00 N ATOM 1088 CA LEU A 73 -17.107 -3.826 -1.810 1.00 0.00 C ATOM 1089 C LEU A 73 -16.364 -2.514 -1.876 1.00 0.00 C ATOM 1090 O LEU A 73 -15.650 -2.151 -0.941 1.00 0.00 O ATOM 1091 CB LEU A 73 -18.550 -3.552 -1.384 1.00 0.00 C ATOM 1092 CG LEU A 73 -19.497 -4.751 -1.382 1.00 0.00 C ATOM 1093 CD1 LEU A 73 -19.413 -5.501 -2.701 1.00 0.00 C ATOM 1094 CD2 LEU A 73 -19.207 -5.679 -0.215 1.00 0.00 C ATOM 0 H LEU A 73 -16.745 -4.633 0.081 1.00 0.00 H new ATOM 0 HA LEU A 73 -17.128 -4.316 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.535 -3.127 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.963 -2.791 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 73 -20.513 -4.376 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -20.095 -6.351 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -19.690 -4.834 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.394 -5.857 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.897 -6.522 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.183 -6.046 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.333 -5.136 0.722 1.00 0.00 H new ATOM 1106 N LYS A 74 -16.538 -1.803 -2.963 1.00 0.00 N ATOM 1107 CA LYS A 74 -15.857 -0.551 -3.146 1.00 0.00 C ATOM 1108 C LYS A 74 -16.866 0.539 -3.447 1.00 0.00 C ATOM 1109 O LYS A 74 -17.449 0.585 -4.530 1.00 0.00 O ATOM 1110 CB LYS A 74 -14.836 -0.695 -4.274 1.00 0.00 C ATOM 1111 CG LYS A 74 -13.729 0.342 -4.275 1.00 0.00 C ATOM 1112 CD LYS A 74 -14.080 1.561 -5.101 1.00 0.00 C ATOM 1113 CE LYS A 74 -12.816 2.255 -5.567 1.00 0.00 C ATOM 1114 NZ LYS A 74 -13.088 3.326 -6.562 1.00 0.00 N ATOM 0 H LYS A 74 -17.148 -2.073 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.326 -0.274 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.385 -1.685 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.361 -0.644 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.522 0.649 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.815 -0.107 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.681 1.266 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.685 2.249 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.303 2.685 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.142 1.519 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.188 3.712 -6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.628 2.931 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.639 4.085 -6.113 1.00 0.00 H new ATOM 1128 N VAL A 75 -17.091 1.389 -2.466 1.00 0.00 N ATOM 1129 CA VAL A 75 -18.025 2.482 -2.613 1.00 0.00 C ATOM 1130 C VAL A 75 -17.254 3.720 -3.049 1.00 0.00 C ATOM 1131 O VAL A 75 -16.151 3.985 -2.562 1.00 0.00 O ATOM 1132 CB VAL A 75 -18.809 2.745 -1.301 1.00 0.00 C ATOM 1133 CG1 VAL A 75 -19.146 1.432 -0.609 1.00 0.00 C ATOM 1134 CG2 VAL A 75 -18.051 3.665 -0.363 1.00 0.00 C ATOM 0 H VAL A 75 -16.636 1.342 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.766 2.223 -3.370 1.00 0.00 H new ATOM 0 HB VAL A 75 -19.737 3.249 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -19.696 1.636 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -19.758 0.819 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.225 0.900 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -18.636 3.823 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -17.094 3.212 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -17.877 4.623 -0.854 1.00 0.00 H new ATOM 1144 N ASP A 76 -17.800 4.451 -3.993 1.00 0.00 N ATOM 1145 CA ASP A 76 -17.096 5.590 -4.547 1.00 0.00 C ATOM 1146 C ASP A 76 -18.007 6.800 -4.590 1.00 0.00 C ATOM 1147 O ASP A 76 -19.172 6.714 -4.179 1.00 0.00 O ATOM 1148 CB ASP A 76 -16.587 5.240 -5.950 1.00 0.00 C ATOM 1149 CG ASP A 76 -15.419 6.094 -6.406 1.00 0.00 C ATOM 1150 OD1 ASP A 76 -15.653 7.217 -6.902 1.00 0.00 O ATOM 1151 OD2 ASP A 76 -14.268 5.630 -6.283 1.00 0.00 O ATOM 0 H ASP A 76 -18.723 4.281 -4.393 1.00 0.00 H new ATOM 0 HA ASP A 76 -16.243 5.834 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.288 4.192 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -17.405 5.350 -6.662 1.00 0.00 H new ATOM 1156 N ASN A 77 -17.473 7.910 -5.100 1.00 0.00 N ATOM 1157 CA ASN A 77 -18.121 9.217 -5.031 1.00 0.00 C ATOM 1158 C ASN A 77 -18.097 9.695 -3.588 1.00 0.00 C ATOM 1159 O ASN A 77 -17.401 10.656 -3.260 1.00 0.00 O ATOM 1160 CB ASN A 77 -19.558 9.180 -5.576 1.00 0.00 C ATOM 1161 CG ASN A 77 -19.628 8.983 -7.085 1.00 0.00 C ATOM 1162 OD1 ASN A 77 -18.652 8.289 -7.653 1.00 0.00 O flip ATOM 1163 ND2 ASN A 77 -20.561 9.453 -7.734 1.00 0.00 N flip ATOM 0 H ASN A 77 -16.571 7.926 -5.576 1.00 0.00 H new ATOM 0 HA ASN A 77 -17.572 9.915 -5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -20.104 8.374 -5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -20.062 10.111 -5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -21.295 9.982 -7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -20.601 9.314 -8.744 1.00 0.00 H new ATOM 1170 N LEU A 78 -18.837 8.985 -2.734 1.00 0.00 N ATOM 1171 CA LEU A 78 -18.776 9.160 -1.288 1.00 0.00 C ATOM 1172 C LEU A 78 -19.108 10.603 -0.880 1.00 0.00 C ATOM 1173 O LEU A 78 -19.514 11.413 -1.711 1.00 0.00 O ATOM 1174 CB LEU A 78 -17.380 8.738 -0.804 1.00 0.00 C ATOM 1175 CG LEU A 78 -17.302 8.237 0.634 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -18.235 7.057 0.858 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -15.875 7.861 0.996 1.00 0.00 C ATOM 0 H LEU A 78 -19.499 8.268 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 78 -19.528 8.530 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -17.009 7.953 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.706 9.588 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 78 -17.623 9.049 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -18.157 6.722 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -19.261 7.360 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.957 6.241 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.842 7.506 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.526 7.072 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.231 8.734 0.893 1.00 0.00 H new ATOM 1189 N THR A 79 -18.987 10.917 0.400 1.00 0.00 N ATOM 1190 CA THR A 79 -19.211 12.283 0.853 1.00 0.00 C ATOM 1191 C THR A 79 -17.901 12.939 1.255 1.00 0.00 C ATOM 1192 O THR A 79 -17.862 14.138 1.530 1.00 0.00 O ATOM 1193 CB THR A 79 -20.200 12.344 2.036 1.00 0.00 C ATOM 1194 OG1 THR A 79 -19.835 11.393 3.047 1.00 0.00 O ATOM 1195 CG2 THR A 79 -21.617 12.073 1.568 1.00 0.00 C ATOM 0 H THR A 79 -18.738 10.256 1.136 1.00 0.00 H new ATOM 0 HA THR A 79 -19.648 12.826 0.015 1.00 0.00 H new ATOM 0 HB THR A 79 -20.155 13.348 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 79 -20.471 11.446 3.790 1.00 0.00 H new ATOM 0 HG21 THR A 79 -22.297 12.121 2.419 1.00 0.00 H new ATOM 0 HG22 THR A 79 -21.906 12.821 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 79 -21.668 11.081 1.118 1.00 0.00 H new ATOM 1203 N TYR A 80 -16.835 12.130 1.303 1.00 0.00 N ATOM 1204 CA TYR A 80 -15.494 12.575 1.715 1.00 0.00 C ATOM 1205 C TYR A 80 -15.455 12.890 3.215 1.00 0.00 C ATOM 1206 O TYR A 80 -14.430 12.718 3.870 1.00 0.00 O ATOM 1207 CB TYR A 80 -15.029 13.783 0.888 1.00 0.00 C ATOM 1208 CG TYR A 80 -15.070 13.541 -0.606 1.00 0.00 C ATOM 1209 CD1 TYR A 80 -14.235 12.606 -1.205 1.00 0.00 C ATOM 1210 CD2 TYR A 80 -15.951 14.245 -1.419 1.00 0.00 C ATOM 1211 CE1 TYR A 80 -14.279 12.377 -2.569 1.00 0.00 C ATOM 1212 CE2 TYR A 80 -16.000 14.025 -2.781 1.00 0.00 C ATOM 1213 CZ TYR A 80 -15.164 13.089 -3.353 1.00 0.00 C ATOM 1214 OH TYR A 80 -15.217 12.863 -4.711 1.00 0.00 O ATOM 0 H TYR A 80 -16.877 11.141 1.056 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.801 11.755 1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -15.657 14.641 1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -14.011 14.043 1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -13.539 12.048 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -16.610 14.978 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.624 11.645 -3.018 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -16.690 14.584 -3.396 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.894 13.446 -5.114 1.00 0.00 H new ATOM 1224 N ARG A 81 -16.586 13.334 3.749 1.00 0.00 N ATOM 1225 CA ARG A 81 -16.755 13.553 5.181 1.00 0.00 C ATOM 1226 C ARG A 81 -17.144 12.243 5.861 1.00 0.00 C ATOM 1227 O ARG A 81 -17.447 12.206 7.051 1.00 0.00 O ATOM 1228 CB ARG A 81 -17.841 14.609 5.421 1.00 0.00 C ATOM 1229 CG ARG A 81 -19.228 14.163 4.972 1.00 0.00 C ATOM 1230 CD ARG A 81 -20.249 15.286 5.064 1.00 0.00 C ATOM 1231 NE ARG A 81 -20.281 15.902 6.388 1.00 0.00 N ATOM 1232 CZ ARG A 81 -21.380 16.387 6.965 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -22.569 16.237 6.389 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -21.281 16.988 8.141 1.00 0.00 N ATOM 0 H ARG A 81 -17.416 13.554 3.199 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.815 13.908 5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.872 14.853 6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -17.572 15.523 4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.177 13.803 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -19.555 13.325 5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -20.017 16.046 4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -21.238 14.895 4.824 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.404 15.965 6.905 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -22.646 15.747 5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -23.404 16.612 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.371 17.075 8.594 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -22.114 17.364 8.594 1.00 0.00 H new ATOM 1248 N THR A 82 -17.128 11.175 5.075 1.00 0.00 N ATOM 1249 CA THR A 82 -17.523 9.849 5.527 1.00 0.00 C ATOM 1250 C THR A 82 -16.608 9.344 6.651 1.00 0.00 C ATOM 1251 O THR A 82 -15.435 9.714 6.723 1.00 0.00 O ATOM 1252 CB THR A 82 -17.467 8.872 4.342 1.00 0.00 C ATOM 1253 OG1 THR A 82 -18.041 9.497 3.186 1.00 0.00 O ATOM 1254 CG2 THR A 82 -18.217 7.584 4.647 1.00 0.00 C ATOM 0 H THR A 82 -16.838 11.206 4.098 1.00 0.00 H new ATOM 0 HA THR A 82 -18.538 9.909 5.919 1.00 0.00 H new ATOM 0 HB THR A 82 -16.423 8.619 4.156 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.724 10.141 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.157 6.916 3.788 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.770 7.100 5.515 1.00 0.00 H new ATOM 0 HG23 THR A 82 -19.262 7.812 4.857 1.00 0.00 H new ATOM 1262 N SER A 83 -17.151 8.506 7.521 1.00 0.00 N ATOM 1263 CA SER A 83 -16.375 7.910 8.596 1.00 0.00 C ATOM 1264 C SER A 83 -16.618 6.400 8.622 1.00 0.00 C ATOM 1265 O SER A 83 -17.728 5.948 8.349 1.00 0.00 O ATOM 1266 CB SER A 83 -16.756 8.553 9.934 1.00 0.00 C ATOM 1267 OG SER A 83 -15.905 8.119 10.982 1.00 0.00 O ATOM 0 H SER A 83 -18.131 8.223 7.502 1.00 0.00 H new ATOM 0 HA SER A 83 -15.313 8.088 8.426 1.00 0.00 H new ATOM 0 HB2 SER A 83 -16.701 9.638 9.846 1.00 0.00 H new ATOM 0 HB3 SER A 83 -17.789 8.305 10.177 1.00 0.00 H new ATOM 0 HG SER A 83 -16.174 8.549 11.821 1.00 0.00 H new ATOM 1273 N PRO A 84 -15.578 5.604 8.928 1.00 0.00 N ATOM 1274 CA PRO A 84 -15.633 4.136 8.902 1.00 0.00 C ATOM 1275 C PRO A 84 -16.899 3.542 9.524 1.00 0.00 C ATOM 1276 O PRO A 84 -17.587 2.734 8.896 1.00 0.00 O ATOM 1277 CB PRO A 84 -14.391 3.707 9.706 1.00 0.00 C ATOM 1278 CG PRO A 84 -13.766 4.969 10.211 1.00 0.00 C ATOM 1279 CD PRO A 84 -14.247 6.069 9.315 1.00 0.00 C ATOM 0 HA PRO A 84 -15.651 3.775 7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.669 3.052 10.532 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.694 3.151 9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.053 5.157 11.245 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.678 4.899 10.190 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.287 7.027 9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.596 6.202 8.451 1.00 0.00 H new ATOM 1287 N ASP A 85 -17.218 3.957 10.743 1.00 0.00 N ATOM 1288 CA ASP A 85 -18.331 3.362 11.481 1.00 0.00 C ATOM 1289 C ASP A 85 -19.669 3.603 10.784 1.00 0.00 C ATOM 1290 O ASP A 85 -20.572 2.771 10.872 1.00 0.00 O ATOM 1291 CB ASP A 85 -18.379 3.904 12.910 1.00 0.00 C ATOM 1292 CG ASP A 85 -19.438 3.224 13.756 1.00 0.00 C ATOM 1293 OD1 ASP A 85 -19.172 2.114 14.270 1.00 0.00 O ATOM 1294 OD2 ASP A 85 -20.532 3.800 13.926 1.00 0.00 O ATOM 0 H ASP A 85 -16.727 4.699 11.242 1.00 0.00 H new ATOM 0 HA ASP A 85 -18.160 2.286 11.512 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -17.404 3.770 13.378 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -18.575 4.976 12.882 1.00 0.00 H new ATOM 1299 N THR A 86 -19.783 4.721 10.064 1.00 0.00 N ATOM 1300 CA THR A 86 -21.042 5.075 9.419 1.00 0.00 C ATOM 1301 C THR A 86 -21.425 4.018 8.379 1.00 0.00 C ATOM 1302 O THR A 86 -22.586 3.634 8.275 1.00 0.00 O ATOM 1303 CB THR A 86 -20.997 6.492 8.771 1.00 0.00 C ATOM 1304 OG1 THR A 86 -22.313 7.063 8.742 1.00 0.00 O ATOM 1305 CG2 THR A 86 -20.446 6.470 7.346 1.00 0.00 C ATOM 0 H THR A 86 -19.026 5.388 9.916 1.00 0.00 H new ATOM 0 HA THR A 86 -21.806 5.103 10.196 1.00 0.00 H new ATOM 0 HB THR A 86 -20.327 7.093 9.386 1.00 0.00 H new ATOM 0 HG1 THR A 86 -22.274 7.954 8.335 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.437 7.483 6.944 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.430 6.074 7.355 1.00 0.00 H new ATOM 0 HG23 THR A 86 -21.077 5.837 6.722 1.00 0.00 H new ATOM 1313 N LEU A 87 -20.438 3.510 7.651 1.00 0.00 N ATOM 1314 CA LEU A 87 -20.697 2.529 6.609 1.00 0.00 C ATOM 1315 C LEU A 87 -20.888 1.143 7.210 1.00 0.00 C ATOM 1316 O LEU A 87 -21.721 0.367 6.745 1.00 0.00 O ATOM 1317 CB LEU A 87 -19.557 2.502 5.591 1.00 0.00 C ATOM 1318 CG LEU A 87 -19.386 3.771 4.752 1.00 0.00 C ATOM 1319 CD1 LEU A 87 -18.298 3.568 3.708 1.00 0.00 C ATOM 1320 CD2 LEU A 87 -20.694 4.166 4.085 1.00 0.00 C ATOM 0 H LEU A 87 -19.456 3.761 7.763 1.00 0.00 H new ATOM 0 HA LEU A 87 -21.614 2.820 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -18.625 2.311 6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -19.717 1.661 4.916 1.00 0.00 H new ATOM 0 HG LEU A 87 -19.090 4.582 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -18.186 4.477 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -17.355 3.339 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -18.572 2.742 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -20.543 5.070 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -21.028 3.359 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -21.450 4.352 4.848 1.00 0.00 H new ATOM 1332 N ARG A 88 -20.128 0.845 8.261 1.00 0.00 N ATOM 1333 CA ARG A 88 -20.228 -0.448 8.928 1.00 0.00 C ATOM 1334 C ARG A 88 -21.613 -0.626 9.535 1.00 0.00 C ATOM 1335 O ARG A 88 -22.115 -1.743 9.647 1.00 0.00 O ATOM 1336 CB ARG A 88 -19.153 -0.595 10.011 1.00 0.00 C ATOM 1337 CG ARG A 88 -17.739 -0.575 9.460 1.00 0.00 C ATOM 1338 CD ARG A 88 -16.714 -1.060 10.475 1.00 0.00 C ATOM 1339 NE ARG A 88 -16.687 -0.243 11.686 1.00 0.00 N ATOM 1340 CZ ARG A 88 -15.568 0.152 12.289 1.00 0.00 C ATOM 1341 NH1 ARG A 88 -14.385 -0.171 11.781 1.00 0.00 N ATOM 1342 NH2 ARG A 88 -15.628 0.864 13.408 1.00 0.00 N ATOM 0 H ARG A 88 -19.440 1.479 8.667 1.00 0.00 H new ATOM 0 HA ARG A 88 -20.067 -1.225 8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -19.265 0.212 10.736 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -19.313 -1.530 10.548 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -17.690 -1.202 8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -17.487 0.439 9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -16.936 -2.093 10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.725 -1.055 10.017 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.578 0.041 12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.331 -0.724 10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.530 0.134 12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.533 1.110 13.808 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.769 1.165 13.868 1.00 0.00 H new ATOM 1356 N ARG A 89 -22.224 0.486 9.920 1.00 0.00 N ATOM 1357 CA ARG A 89 -23.575 0.474 10.459 1.00 0.00 C ATOM 1358 C ARG A 89 -24.599 0.180 9.362 1.00 0.00 C ATOM 1359 O ARG A 89 -25.486 -0.656 9.538 1.00 0.00 O ATOM 1360 CB ARG A 89 -23.888 1.820 11.122 1.00 0.00 C ATOM 1361 CG ARG A 89 -25.315 1.932 11.630 1.00 0.00 C ATOM 1362 CD ARG A 89 -25.593 3.300 12.231 1.00 0.00 C ATOM 1363 NE ARG A 89 -24.852 3.523 13.469 1.00 0.00 N ATOM 1364 CZ ARG A 89 -25.225 4.380 14.417 1.00 0.00 C ATOM 1365 NH1 ARG A 89 -26.339 5.094 14.275 1.00 0.00 N ATOM 1366 NH2 ARG A 89 -24.483 4.520 15.507 1.00 0.00 N ATOM 0 H ARG A 89 -21.801 1.413 9.868 1.00 0.00 H new ATOM 0 HA ARG A 89 -23.638 -0.317 11.206 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -23.202 1.973 11.955 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -23.703 2.620 10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -26.009 1.747 10.810 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -25.496 1.162 12.380 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -25.329 4.072 11.508 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -26.661 3.398 12.427 1.00 0.00 H new ATOM 0 HE ARG A 89 -23.996 2.989 13.617 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -26.911 4.986 13.437 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -26.621 5.749 15.004 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -23.630 3.972 15.617 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -24.766 5.176 16.236 1.00 0.00 H new ATOM 1380 N VAL A 90 -24.466 0.860 8.230 1.00 0.00 N ATOM 1381 CA VAL A 90 -25.442 0.737 7.149 1.00 0.00 C ATOM 1382 C VAL A 90 -25.315 -0.602 6.426 1.00 0.00 C ATOM 1383 O VAL A 90 -26.291 -1.337 6.284 1.00 0.00 O ATOM 1384 CB VAL A 90 -25.293 1.861 6.101 1.00 0.00 C ATOM 1385 CG1 VAL A 90 -26.507 1.897 5.184 1.00 0.00 C ATOM 1386 CG2 VAL A 90 -25.076 3.209 6.765 1.00 0.00 C ATOM 0 H VAL A 90 -23.696 1.500 8.035 1.00 0.00 H new ATOM 0 HA VAL A 90 -26.420 0.812 7.625 1.00 0.00 H new ATOM 0 HB VAL A 90 -24.411 1.646 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -26.386 2.695 4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.602 0.942 4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.404 2.080 5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -24.975 3.979 6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -25.928 3.441 7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -24.169 3.176 7.368 1.00 0.00 H new ATOM 1396 N PHE A 91 -24.102 -0.909 5.985 1.00 0.00 N ATOM 1397 CA PHE A 91 -23.853 -2.059 5.122 1.00 0.00 C ATOM 1398 C PHE A 91 -24.127 -3.390 5.820 1.00 0.00 C ATOM 1399 O PHE A 91 -24.556 -4.349 5.179 1.00 0.00 O ATOM 1400 CB PHE A 91 -22.414 -2.014 4.603 1.00 0.00 C ATOM 1401 CG PHE A 91 -22.231 -1.099 3.423 1.00 0.00 C ATOM 1402 CD1 PHE A 91 -22.018 0.259 3.608 1.00 0.00 C ATOM 1403 CD2 PHE A 91 -22.272 -1.596 2.132 1.00 0.00 C ATOM 1404 CE1 PHE A 91 -21.850 1.101 2.527 1.00 0.00 C ATOM 1405 CE2 PHE A 91 -22.105 -0.757 1.048 1.00 0.00 C ATOM 1406 CZ PHE A 91 -21.895 0.590 1.244 1.00 0.00 C ATOM 0 H PHE A 91 -23.266 -0.371 6.213 1.00 0.00 H new ATOM 0 HA PHE A 91 -24.549 -1.996 4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -21.755 -1.691 5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -22.105 -3.021 4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -21.983 0.662 4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -22.436 -2.651 1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -21.684 2.157 2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -22.139 -1.157 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 91 -21.766 1.246 0.396 1.00 0.00 H new ATOM 1416 N GLU A 92 -23.894 -3.444 7.127 1.00 0.00 N ATOM 1417 CA GLU A 92 -24.096 -4.680 7.888 1.00 0.00 C ATOM 1418 C GLU A 92 -25.559 -5.130 7.845 1.00 0.00 C ATOM 1419 O GLU A 92 -25.864 -6.299 8.075 1.00 0.00 O ATOM 1420 CB GLU A 92 -23.607 -4.521 9.339 1.00 0.00 C ATOM 1421 CG GLU A 92 -24.562 -3.788 10.275 1.00 0.00 C ATOM 1422 CD GLU A 92 -25.577 -4.712 10.923 1.00 0.00 C ATOM 1423 OE1 GLU A 92 -25.169 -5.614 11.688 1.00 0.00 O ATOM 1424 OE2 GLU A 92 -26.787 -4.547 10.668 1.00 0.00 O ATOM 0 H GLU A 92 -23.567 -2.653 7.682 1.00 0.00 H new ATOM 0 HA GLU A 92 -23.499 -5.460 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -23.412 -5.512 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.656 -3.988 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.987 -3.286 11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -25.087 -3.013 9.716 1.00 0.00 H new ATOM 1431 N LYS A 93 -26.456 -4.195 7.547 1.00 0.00 N ATOM 1432 CA LYS A 93 -27.873 -4.504 7.397 1.00 0.00 C ATOM 1433 C LYS A 93 -28.076 -5.477 6.240 1.00 0.00 C ATOM 1434 O LYS A 93 -28.895 -6.396 6.309 1.00 0.00 O ATOM 1435 CB LYS A 93 -28.651 -3.217 7.128 1.00 0.00 C ATOM 1436 CG LYS A 93 -30.135 -3.422 6.887 1.00 0.00 C ATOM 1437 CD LYS A 93 -30.767 -2.186 6.271 1.00 0.00 C ATOM 1438 CE LYS A 93 -32.270 -2.343 6.110 1.00 0.00 C ATOM 1439 NZ LYS A 93 -32.632 -3.522 5.278 1.00 0.00 N ATOM 0 H LYS A 93 -26.224 -3.212 7.404 1.00 0.00 H new ATOM 0 HA LYS A 93 -28.237 -4.964 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -28.522 -2.545 7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -28.219 -2.720 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -30.284 -4.277 6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -30.630 -3.656 7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -30.557 -1.319 6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -30.315 -1.993 5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -32.730 -2.441 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -32.680 -1.441 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -33.651 -3.501 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -32.097 -3.496 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -32.402 -4.395 5.794 1.00 0.00 H new ATOM 1453 N TYR A 94 -27.303 -5.267 5.189 1.00 0.00 N ATOM 1454 CA TYR A 94 -27.433 -6.035 3.966 1.00 0.00 C ATOM 1455 C TYR A 94 -26.669 -7.350 4.071 1.00 0.00 C ATOM 1456 O TYR A 94 -27.176 -8.408 3.693 1.00 0.00 O ATOM 1457 CB TYR A 94 -26.938 -5.200 2.784 1.00 0.00 C ATOM 1458 CG TYR A 94 -27.734 -3.924 2.598 1.00 0.00 C ATOM 1459 CD1 TYR A 94 -27.439 -2.787 3.336 1.00 0.00 C ATOM 1460 CD2 TYR A 94 -28.766 -3.851 1.669 1.00 0.00 C ATOM 1461 CE1 TYR A 94 -28.149 -1.614 3.156 1.00 0.00 C ATOM 1462 CE2 TYR A 94 -29.476 -2.681 1.480 1.00 0.00 C ATOM 1463 CZ TYR A 94 -29.225 -1.593 2.286 1.00 0.00 C ATOM 1464 OH TYR A 94 -29.872 -0.394 2.046 1.00 0.00 O ATOM 0 H TYR A 94 -26.569 -4.560 5.161 1.00 0.00 H new ATOM 0 HA TYR A 94 -28.483 -6.280 3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -25.888 -4.950 2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -26.996 -5.796 1.873 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -26.641 -2.818 4.063 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -29.017 -4.724 1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -27.865 -0.720 3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -30.224 -2.620 0.704 1.00 0.00 H new ATOM 0 HH TYR A 94 -29.214 0.289 1.798 1.00 0.00 H new ATOM 1474 N GLY A 95 -25.467 -7.285 4.616 1.00 0.00 N ATOM 1475 CA GLY A 95 -24.671 -8.480 4.802 1.00 0.00 C ATOM 1476 C GLY A 95 -23.698 -8.318 5.944 1.00 0.00 C ATOM 1477 O GLY A 95 -23.516 -7.211 6.446 1.00 0.00 O ATOM 0 H GLY A 95 -25.025 -6.423 4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -25.326 -9.329 4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -24.125 -8.702 3.885 1.00 0.00 H new ATOM 1481 N ARG A 96 -23.062 -9.401 6.356 1.00 0.00 N ATOM 1482 CA ARG A 96 -22.140 -9.338 7.476 1.00 0.00 C ATOM 1483 C ARG A 96 -20.823 -8.695 7.062 1.00 0.00 C ATOM 1484 O ARG A 96 -19.958 -9.339 6.463 1.00 0.00 O ATOM 1485 CB ARG A 96 -21.894 -10.723 8.077 1.00 0.00 C ATOM 1486 CG ARG A 96 -23.154 -11.407 8.594 1.00 0.00 C ATOM 1487 CD ARG A 96 -24.065 -10.443 9.347 1.00 0.00 C ATOM 1488 NE ARG A 96 -23.386 -9.751 10.447 1.00 0.00 N ATOM 1489 CZ ARG A 96 -23.825 -8.611 10.986 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -24.928 -8.035 10.529 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -23.168 -8.048 11.991 1.00 0.00 N ATOM 0 H ARG A 96 -23.165 -10.325 5.937 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.601 -8.716 8.244 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -21.432 -11.359 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.181 -10.631 8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -23.700 -11.841 7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -22.875 -12.230 9.252 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.459 -9.704 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.918 -10.993 9.743 1.00 0.00 H new ATOM 0 HE ARG A 96 -22.531 -10.163 10.821 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.446 -8.463 9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -25.258 -7.164 10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -22.322 -8.486 12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -23.508 -7.177 12.399 1.00 0.00 H new ATOM 1505 N VAL A 97 -20.698 -7.413 7.365 1.00 0.00 N ATOM 1506 CA VAL A 97 -19.483 -6.664 7.097 1.00 0.00 C ATOM 1507 C VAL A 97 -18.550 -6.732 8.305 1.00 0.00 C ATOM 1508 O VAL A 97 -18.998 -6.677 9.453 1.00 0.00 O ATOM 1509 CB VAL A 97 -19.804 -5.188 6.750 1.00 0.00 C ATOM 1510 CG1 VAL A 97 -20.633 -4.539 7.840 1.00 0.00 C ATOM 1511 CG2 VAL A 97 -18.541 -4.379 6.514 1.00 0.00 C ATOM 0 H VAL A 97 -21.437 -6.863 7.804 1.00 0.00 H new ATOM 0 HA VAL A 97 -18.987 -7.113 6.237 1.00 0.00 H new ATOM 0 HB VAL A 97 -20.381 -5.198 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -20.843 -3.504 7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -21.571 -5.082 7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -20.082 -4.564 8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -18.808 -3.350 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -17.926 -4.394 7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -17.981 -4.812 5.685 1.00 0.00 H new ATOM 1521 N GLY A 98 -17.266 -6.898 8.043 1.00 0.00 N ATOM 1522 CA GLY A 98 -16.293 -6.945 9.111 1.00 0.00 C ATOM 1523 C GLY A 98 -15.685 -5.587 9.379 1.00 0.00 C ATOM 1524 O GLY A 98 -15.582 -5.158 10.531 1.00 0.00 O ATOM 0 H GLY A 98 -16.878 -7.002 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.768 -7.316 10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.504 -7.652 8.853 1.00 0.00 H new ATOM 1528 N ASP A 99 -15.298 -4.898 8.312 1.00 0.00 N ATOM 1529 CA ASP A 99 -14.675 -3.586 8.432 1.00 0.00 C ATOM 1530 C ASP A 99 -14.828 -2.832 7.119 1.00 0.00 C ATOM 1531 O ASP A 99 -15.313 -3.389 6.141 1.00 0.00 O ATOM 1532 CB ASP A 99 -13.194 -3.718 8.795 1.00 0.00 C ATOM 1533 CG ASP A 99 -12.598 -2.414 9.295 1.00 0.00 C ATOM 1534 OD1 ASP A 99 -13.365 -1.472 9.588 1.00 0.00 O ATOM 1535 OD2 ASP A 99 -11.353 -2.331 9.412 1.00 0.00 O ATOM 0 H ASP A 99 -15.405 -5.227 7.352 1.00 0.00 H new ATOM 0 HA ASP A 99 -15.170 -3.033 9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -13.078 -4.484 9.562 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.638 -4.056 7.921 1.00 0.00 H new ATOM 1540 N VAL A 100 -14.420 -1.575 7.096 1.00 0.00 N ATOM 1541 CA VAL A 100 -14.562 -0.752 5.904 1.00 0.00 C ATOM 1542 C VAL A 100 -13.235 -0.133 5.471 1.00 0.00 C ATOM 1543 O VAL A 100 -13.030 0.128 4.285 1.00 0.00 O ATOM 1544 CB VAL A 100 -15.596 0.370 6.121 1.00 0.00 C ATOM 1545 CG1 VAL A 100 -17.001 -0.206 6.203 1.00 0.00 C ATOM 1546 CG2 VAL A 100 -15.266 1.156 7.376 1.00 0.00 C ATOM 0 H VAL A 100 -13.987 -1.100 7.889 1.00 0.00 H new ATOM 0 HA VAL A 100 -14.908 -1.417 5.113 1.00 0.00 H new ATOM 0 HB VAL A 100 -15.555 1.048 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -17.717 0.602 6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -17.235 -0.727 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -17.059 -0.906 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.005 1.945 7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -15.280 0.488 8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -14.275 1.600 7.277 1.00 0.00 H new ATOM 1556 N TYR A 101 -12.339 0.091 6.434 1.00 0.00 N ATOM 1557 CA TYR A 101 -11.045 0.730 6.175 1.00 0.00 C ATOM 1558 C TYR A 101 -11.228 2.204 5.827 1.00 0.00 C ATOM 1559 O TYR A 101 -10.976 3.080 6.652 1.00 0.00 O ATOM 1560 CB TYR A 101 -10.278 -0.008 5.064 1.00 0.00 C ATOM 1561 CG TYR A 101 -8.922 0.585 4.747 1.00 0.00 C ATOM 1562 CD1 TYR A 101 -7.852 0.415 5.616 1.00 0.00 C ATOM 1563 CD2 TYR A 101 -8.711 1.309 3.579 1.00 0.00 C ATOM 1564 CE1 TYR A 101 -6.611 0.949 5.331 1.00 0.00 C ATOM 1565 CE2 TYR A 101 -7.473 1.844 3.287 1.00 0.00 C ATOM 1566 CZ TYR A 101 -6.427 1.662 4.166 1.00 0.00 C ATOM 1567 OH TYR A 101 -5.190 2.188 3.878 1.00 0.00 O ATOM 0 H TYR A 101 -12.487 -0.163 7.411 1.00 0.00 H new ATOM 0 HA TYR A 101 -10.451 0.670 7.087 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -10.147 -1.049 5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -10.883 -0.007 4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.993 -0.144 6.529 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -9.529 1.455 2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -5.789 0.809 6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.324 2.402 2.375 1.00 0.00 H new ATOM 0 HH TYR A 101 -5.227 2.661 3.020 1.00 0.00 H new ATOM 1577 N ILE A 102 -11.694 2.452 4.615 1.00 0.00 N ATOM 1578 CA ILE A 102 -11.921 3.804 4.098 1.00 0.00 C ATOM 1579 C ILE A 102 -10.635 4.636 4.102 1.00 0.00 C ATOM 1580 O ILE A 102 -10.224 5.159 5.141 1.00 0.00 O ATOM 1581 CB ILE A 102 -13.016 4.563 4.889 1.00 0.00 C ATOM 1582 CG1 ILE A 102 -14.327 3.771 4.898 1.00 0.00 C ATOM 1583 CG2 ILE A 102 -13.241 5.948 4.292 1.00 0.00 C ATOM 1584 CD1 ILE A 102 -15.474 4.496 5.574 1.00 0.00 C ATOM 0 H ILE A 102 -11.930 1.716 3.949 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.262 3.673 3.071 1.00 0.00 H new ATOM 0 HB ILE A 102 -12.675 4.676 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -14.609 3.542 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -14.162 2.819 5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -14.013 6.468 4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.313 6.518 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -13.558 5.850 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.368 3.873 5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.213 4.702 6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -15.667 5.435 5.055 1.00 0.00 H new ATOM 1784 N PHE A 114 -12.482 7.503 -1.725 1.00 0.00 N ATOM 1785 CA PHE A 114 -13.530 6.497 -1.759 1.00 0.00 C ATOM 1786 C PHE A 114 -13.455 5.625 -0.512 1.00 0.00 C ATOM 1787 O PHE A 114 -12.654 5.884 0.386 1.00 0.00 O ATOM 1788 CB PHE A 114 -13.421 5.637 -3.025 1.00 0.00 C ATOM 1789 CG PHE A 114 -12.057 5.043 -3.260 1.00 0.00 C ATOM 1790 CD1 PHE A 114 -11.582 4.031 -2.442 1.00 0.00 C ATOM 1791 CD2 PHE A 114 -11.247 5.498 -4.289 1.00 0.00 C ATOM 1792 CE1 PHE A 114 -10.331 3.485 -2.647 1.00 0.00 C ATOM 1793 CE2 PHE A 114 -9.997 4.956 -4.499 1.00 0.00 C ATOM 1794 CZ PHE A 114 -9.543 3.944 -3.707 1.00 0.00 C ATOM 0 HA PHE A 114 -14.496 7.002 -1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -14.150 4.829 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -13.692 6.246 -3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -12.198 3.665 -1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -11.600 6.288 -4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.963 2.708 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -9.374 5.335 -5.295 1.00 0.00 H new ATOM 0 HZ PHE A 114 -8.578 3.498 -3.897 1.00 0.00 H new ATOM 1804 N ALA A 115 -14.269 4.586 -0.460 1.00 0.00 N ATOM 1805 CA ALA A 115 -14.299 3.724 0.705 1.00 0.00 C ATOM 1806 C ALA A 115 -14.511 2.270 0.312 1.00 0.00 C ATOM 1807 O ALA A 115 -14.857 1.963 -0.827 1.00 0.00 O ATOM 1808 CB ALA A 115 -15.388 4.182 1.661 1.00 0.00 C ATOM 0 H ALA A 115 -14.913 4.321 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 115 -13.333 3.793 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -15.404 3.529 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.188 5.206 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -16.354 4.140 1.159 1.00 0.00 H new ATOM 1814 N PHE A 116 -14.291 1.381 1.263 1.00 0.00 N ATOM 1815 CA PHE A 116 -14.520 -0.039 1.064 1.00 0.00 C ATOM 1816 C PHE A 116 -15.414 -0.554 2.151 1.00 0.00 C ATOM 1817 O PHE A 116 -15.582 0.095 3.179 1.00 0.00 O ATOM 1818 CB PHE A 116 -13.214 -0.838 1.102 1.00 0.00 C ATOM 1819 CG PHE A 116 -12.182 -0.439 0.088 1.00 0.00 C ATOM 1820 CD1 PHE A 116 -12.229 -0.937 -1.204 1.00 0.00 C ATOM 1821 CD2 PHE A 116 -11.147 0.415 0.434 1.00 0.00 C ATOM 1822 CE1 PHE A 116 -11.266 -0.590 -2.131 1.00 0.00 C ATOM 1823 CE2 PHE A 116 -10.183 0.769 -0.489 1.00 0.00 C ATOM 1824 CZ PHE A 116 -10.243 0.264 -1.774 1.00 0.00 C ATOM 0 H PHE A 116 -13.949 1.622 2.193 1.00 0.00 H new ATOM 0 HA PHE A 116 -14.978 -0.164 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -12.778 -0.741 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -13.450 -1.893 0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -13.028 -1.605 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -11.094 0.809 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -11.314 -0.987 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -9.384 1.439 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.490 0.538 -2.498 1.00 0.00 H new ATOM 1834 N VAL A 117 -16.002 -1.704 1.911 1.00 0.00 N ATOM 1835 CA VAL A 117 -16.727 -2.411 2.938 1.00 0.00 C ATOM 1836 C VAL A 117 -16.457 -3.912 2.789 1.00 0.00 C ATOM 1837 O VAL A 117 -16.776 -4.526 1.772 1.00 0.00 O ATOM 1838 CB VAL A 117 -18.249 -2.091 2.925 1.00 0.00 C ATOM 1839 CG1 VAL A 117 -18.502 -0.592 2.974 1.00 0.00 C ATOM 1840 CG2 VAL A 117 -18.963 -2.692 1.739 1.00 0.00 C ATOM 0 H VAL A 117 -15.991 -2.172 1.005 1.00 0.00 H new ATOM 0 HA VAL A 117 -16.370 -2.073 3.911 1.00 0.00 H new ATOM 0 HB VAL A 117 -18.658 -2.551 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -19.576 -0.404 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -18.070 -0.180 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -18.042 -0.117 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -20.021 -2.436 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -18.533 -2.299 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -18.851 -3.776 1.758 1.00 0.00 H new ATOM 1850 N ARG A 118 -15.806 -4.488 3.784 1.00 0.00 N ATOM 1851 CA ARG A 118 -15.349 -5.868 3.694 1.00 0.00 C ATOM 1852 C ARG A 118 -16.408 -6.820 4.230 1.00 0.00 C ATOM 1853 O ARG A 118 -16.631 -6.899 5.436 1.00 0.00 O ATOM 1854 CB ARG A 118 -14.041 -6.044 4.471 1.00 0.00 C ATOM 1855 CG ARG A 118 -12.948 -5.072 4.056 1.00 0.00 C ATOM 1856 CD ARG A 118 -11.583 -5.498 4.576 1.00 0.00 C ATOM 1857 NE ARG A 118 -11.604 -5.831 6.001 1.00 0.00 N ATOM 1858 CZ ARG A 118 -10.680 -5.432 6.876 1.00 0.00 C ATOM 1859 NH1 ARG A 118 -9.699 -4.617 6.494 1.00 0.00 N ATOM 1860 NH2 ARG A 118 -10.735 -5.841 8.137 1.00 0.00 N ATOM 0 H ARG A 118 -15.581 -4.024 4.664 1.00 0.00 H new ATOM 0 HA ARG A 118 -15.172 -6.104 2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -14.241 -5.919 5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -13.681 -7.063 4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -12.917 -5.003 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -13.185 -4.077 4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -11.236 -6.362 4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -10.866 -4.695 4.404 1.00 0.00 H new ATOM 0 HE ARG A 118 -12.374 -6.404 6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.651 -4.294 5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -8.995 -4.315 7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -11.485 -6.462 8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -10.027 -5.534 8.804 1.00 0.00 H new ATOM 1874 N PHE A 119 -17.062 -7.535 3.330 1.00 0.00 N ATOM 1875 CA PHE A 119 -18.124 -8.456 3.709 1.00 0.00 C ATOM 1876 C PHE A 119 -17.610 -9.883 3.817 1.00 0.00 C ATOM 1877 O PHE A 119 -16.613 -10.241 3.193 1.00 0.00 O ATOM 1878 CB PHE A 119 -19.271 -8.386 2.706 1.00 0.00 C ATOM 1879 CG PHE A 119 -20.236 -7.269 2.972 1.00 0.00 C ATOM 1880 CD1 PHE A 119 -19.795 -5.973 3.180 1.00 0.00 C ATOM 1881 CD2 PHE A 119 -21.591 -7.519 3.011 1.00 0.00 C ATOM 1882 CE1 PHE A 119 -20.697 -4.955 3.420 1.00 0.00 C ATOM 1883 CE2 PHE A 119 -22.493 -6.508 3.251 1.00 0.00 C ATOM 1884 CZ PHE A 119 -22.047 -5.227 3.455 1.00 0.00 C ATOM 0 H PHE A 119 -16.876 -7.496 2.328 1.00 0.00 H new ATOM 0 HA PHE A 119 -18.490 -8.155 4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -18.859 -8.268 1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -19.812 -9.332 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -18.737 -5.756 3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -21.950 -8.525 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -20.344 -3.947 3.580 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -23.551 -6.723 3.279 1.00 0.00 H new ATOM 0 HZ PHE A 119 -22.754 -4.432 3.643 1.00 0.00 H new ATOM 1894 N HIS A 120 -18.301 -10.681 4.624 1.00 0.00 N ATOM 1895 CA HIS A 120 -17.931 -12.074 4.862 1.00 0.00 C ATOM 1896 C HIS A 120 -17.819 -12.851 3.554 1.00 0.00 C ATOM 1897 O HIS A 120 -16.769 -13.410 3.242 1.00 0.00 O ATOM 1898 CB HIS A 120 -18.970 -12.741 5.775 1.00 0.00 C ATOM 1899 CG HIS A 120 -18.580 -14.109 6.262 1.00 0.00 C ATOM 1900 ND1 HIS A 120 -18.366 -14.397 7.593 1.00 0.00 N ATOM 1901 CD2 HIS A 120 -18.388 -15.275 5.595 1.00 0.00 C ATOM 1902 CE1 HIS A 120 -18.056 -15.673 7.723 1.00 0.00 C ATOM 1903 NE2 HIS A 120 -18.063 -16.227 6.526 1.00 0.00 N ATOM 0 H HIS A 120 -19.133 -10.382 5.132 1.00 0.00 H new ATOM 0 HA HIS A 120 -16.955 -12.085 5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -19.145 -12.098 6.637 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -19.915 -12.816 5.236 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -18.475 -15.425 4.529 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -17.834 -16.178 8.652 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -17.859 -17.206 6.325 1.00 0.00 H new ATOM 1911 N ASP A 121 -18.906 -12.887 2.799 1.00 0.00 N ATOM 1912 CA ASP A 121 -18.953 -13.664 1.568 1.00 0.00 C ATOM 1913 C ASP A 121 -19.633 -12.867 0.460 1.00 0.00 C ATOM 1914 O ASP A 121 -20.262 -11.838 0.723 1.00 0.00 O ATOM 1915 CB ASP A 121 -19.702 -14.980 1.817 1.00 0.00 C ATOM 1916 CG ASP A 121 -19.736 -15.890 0.603 1.00 0.00 C ATOM 1917 OD1 ASP A 121 -18.761 -16.640 0.389 1.00 0.00 O ATOM 1918 OD2 ASP A 121 -20.736 -15.859 -0.137 1.00 0.00 O ATOM 0 H ASP A 121 -19.768 -12.387 3.016 1.00 0.00 H new ATOM 0 HA ASP A 121 -17.935 -13.888 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -19.229 -15.508 2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -20.724 -14.756 2.123 1.00 0.00 H new ATOM 1923 N LYS A 122 -19.499 -13.342 -0.772 1.00 0.00 N ATOM 1924 CA LYS A 122 -20.137 -12.724 -1.926 1.00 0.00 C ATOM 1925 C LYS A 122 -21.654 -12.656 -1.734 1.00 0.00 C ATOM 1926 O LYS A 122 -22.301 -11.728 -2.218 1.00 0.00 O ATOM 1927 CB LYS A 122 -19.778 -13.503 -3.196 1.00 0.00 C ATOM 1928 CG LYS A 122 -20.490 -13.027 -4.451 1.00 0.00 C ATOM 1929 CD LYS A 122 -19.900 -13.666 -5.700 1.00 0.00 C ATOM 1930 CE LYS A 122 -20.785 -13.449 -6.919 1.00 0.00 C ATOM 1931 NZ LYS A 122 -22.012 -14.290 -6.869 1.00 0.00 N ATOM 0 H LYS A 122 -18.944 -14.167 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.770 -11.703 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -18.702 -13.435 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -20.011 -14.556 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -21.551 -13.269 -4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -20.414 -11.942 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -18.911 -13.248 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -19.767 -14.735 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -21.067 -12.398 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -20.222 -13.681 -7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -22.613 -14.077 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -21.745 -15.295 -6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -22.537 -14.087 -5.994 1.00 0.00 H new ATOM 1945 N ARG A 123 -22.206 -13.626 -1.004 1.00 0.00 N ATOM 1946 CA ARG A 123 -23.633 -13.624 -0.667 1.00 0.00 C ATOM 1947 C ARG A 123 -24.018 -12.308 0.010 1.00 0.00 C ATOM 1948 O ARG A 123 -25.057 -11.718 -0.287 1.00 0.00 O ATOM 1949 CB ARG A 123 -23.972 -14.791 0.275 1.00 0.00 C ATOM 1950 CG ARG A 123 -23.252 -14.695 1.609 1.00 0.00 C ATOM 1951 CD ARG A 123 -23.884 -15.536 2.699 1.00 0.00 C ATOM 1952 NE ARG A 123 -23.470 -15.042 4.011 1.00 0.00 N ATOM 1953 CZ ARG A 123 -23.769 -15.617 5.171 1.00 0.00 C ATOM 1954 NH1 ARG A 123 -24.476 -16.739 5.208 1.00 0.00 N ATOM 1955 NH2 ARG A 123 -23.362 -15.053 6.299 1.00 0.00 N ATOM 0 H ARG A 123 -21.688 -14.423 -0.634 1.00 0.00 H new ATOM 0 HA ARG A 123 -24.195 -13.737 -1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -25.048 -14.812 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -23.708 -15.732 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -22.216 -15.005 1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -23.234 -13.653 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -24.970 -15.501 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -23.588 -16.579 2.583 1.00 0.00 H new ATOM 0 HE ARG A 123 -22.909 -14.191 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -24.796 -17.169 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -24.700 -17.172 6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -22.825 -14.186 6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -23.586 -15.486 7.195 1.00 0.00 H new ATOM 1969 N ASP A 124 -23.150 -11.844 0.903 1.00 0.00 N ATOM 1970 CA ASP A 124 -23.401 -10.635 1.667 1.00 0.00 C ATOM 1971 C ASP A 124 -23.103 -9.426 0.801 1.00 0.00 C ATOM 1972 O ASP A 124 -23.820 -8.424 0.822 1.00 0.00 O ATOM 1973 CB ASP A 124 -22.513 -10.589 2.920 1.00 0.00 C ATOM 1974 CG ASP A 124 -22.741 -11.736 3.889 1.00 0.00 C ATOM 1975 OD1 ASP A 124 -23.639 -11.621 4.751 1.00 0.00 O ATOM 1976 OD2 ASP A 124 -22.052 -12.769 3.770 1.00 0.00 O ATOM 0 H ASP A 124 -22.260 -12.294 1.114 1.00 0.00 H new ATOM 0 HA ASP A 124 -24.446 -10.629 1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -21.468 -10.592 2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -22.688 -9.648 3.441 1.00 0.00 H new ATOM 1981 N ALA A 125 -22.048 -9.554 0.012 1.00 0.00 N ATOM 1982 CA ALA A 125 -21.542 -8.463 -0.792 1.00 0.00 C ATOM 1983 C ALA A 125 -22.515 -8.097 -1.903 1.00 0.00 C ATOM 1984 O ALA A 125 -22.672 -6.923 -2.231 1.00 0.00 O ATOM 1985 CB ALA A 125 -20.182 -8.836 -1.363 1.00 0.00 C ATOM 0 H ALA A 125 -21.520 -10.421 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 125 -21.432 -7.585 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -19.803 -8.012 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -19.487 -9.036 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -20.280 -9.727 -1.983 1.00 0.00 H new ATOM 1991 N GLU A 126 -23.186 -9.098 -2.459 1.00 0.00 N ATOM 1992 CA GLU A 126 -24.114 -8.881 -3.560 1.00 0.00 C ATOM 1993 C GLU A 126 -25.365 -8.176 -3.080 1.00 0.00 C ATOM 1994 O GLU A 126 -25.970 -7.394 -3.814 1.00 0.00 O ATOM 1995 CB GLU A 126 -24.487 -10.197 -4.233 1.00 0.00 C ATOM 1996 CG GLU A 126 -23.356 -10.805 -5.031 1.00 0.00 C ATOM 1997 CD GLU A 126 -23.795 -12.004 -5.833 1.00 0.00 C ATOM 1998 OE1 GLU A 126 -23.845 -13.115 -5.272 1.00 0.00 O ATOM 1999 OE2 GLU A 126 -24.067 -11.846 -7.039 1.00 0.00 O ATOM 0 H GLU A 126 -23.104 -10.071 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 126 -23.612 -8.248 -4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -24.808 -10.908 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -25.339 -10.031 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -22.945 -10.053 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -22.554 -11.099 -4.353 1.00 0.00 H new ATOM 2006 N ASP A 127 -25.748 -8.454 -1.848 1.00 0.00 N ATOM 2007 CA ASP A 127 -26.888 -7.794 -1.240 1.00 0.00 C ATOM 2008 C ASP A 127 -26.605 -6.312 -1.141 1.00 0.00 C ATOM 2009 O ASP A 127 -27.452 -5.469 -1.439 1.00 0.00 O ATOM 2010 CB ASP A 127 -27.131 -8.346 0.159 1.00 0.00 C ATOM 2011 CG ASP A 127 -28.563 -8.168 0.616 1.00 0.00 C ATOM 2012 OD1 ASP A 127 -28.914 -7.074 1.093 1.00 0.00 O ATOM 2013 OD2 ASP A 127 -29.345 -9.137 0.517 1.00 0.00 O ATOM 0 H ASP A 127 -25.284 -9.135 -1.247 1.00 0.00 H new ATOM 0 HA ASP A 127 -27.772 -7.971 -1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -26.877 -9.406 0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -26.465 -7.847 0.863 1.00 0.00 H new ATOM 2018 N ALA A 128 -25.377 -6.020 -0.753 1.00 0.00 N ATOM 2019 CA ALA A 128 -24.959 -4.662 -0.464 1.00 0.00 C ATOM 2020 C ALA A 128 -24.611 -3.875 -1.724 1.00 0.00 C ATOM 2021 O ALA A 128 -25.137 -2.784 -1.940 1.00 0.00 O ATOM 2022 CB ALA A 128 -23.786 -4.697 0.493 1.00 0.00 C ATOM 0 H ALA A 128 -24.643 -6.717 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 128 -25.798 -4.141 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -23.467 -3.679 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -24.085 -5.193 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -22.961 -5.245 0.038 1.00 0.00 H new ATOM 2028 N MET A 129 -23.731 -4.425 -2.560 1.00 0.00 N ATOM 2029 CA MET A 129 -23.234 -3.699 -3.730 1.00 0.00 C ATOM 2030 C MET A 129 -24.364 -3.361 -4.698 1.00 0.00 C ATOM 2031 O MET A 129 -24.368 -2.294 -5.304 1.00 0.00 O ATOM 2032 CB MET A 129 -22.114 -4.485 -4.439 1.00 0.00 C ATOM 2033 CG MET A 129 -22.532 -5.835 -5.011 1.00 0.00 C ATOM 2034 SD MET A 129 -23.355 -5.699 -6.610 1.00 0.00 S ATOM 2035 CE MET A 129 -24.362 -7.175 -6.596 1.00 0.00 C ATOM 0 H MET A 129 -23.349 -5.365 -2.451 1.00 0.00 H new ATOM 0 HA MET A 129 -22.811 -2.759 -3.376 1.00 0.00 H new ATOM 0 HB2 MET A 129 -21.718 -3.872 -5.249 1.00 0.00 H new ATOM 0 HB3 MET A 129 -21.300 -4.644 -3.732 1.00 0.00 H new ATOM 0 HG2 MET A 129 -21.651 -6.468 -5.115 1.00 0.00 H new ATOM 0 HG3 MET A 129 -23.199 -6.331 -4.306 1.00 0.00 H new ATOM 0 HE1 MET A 129 -24.986 -7.198 -7.489 1.00 0.00 H new ATOM 0 HE2 MET A 129 -23.718 -8.054 -6.580 1.00 0.00 H new ATOM 0 HE3 MET A 129 -24.997 -7.174 -5.710 1.00 0.00 H new ATOM 2045 N ASP A 130 -25.331 -4.259 -4.823 1.00 0.00 N ATOM 2046 CA ASP A 130 -26.459 -4.027 -5.710 1.00 0.00 C ATOM 2047 C ASP A 130 -27.350 -2.937 -5.148 1.00 0.00 C ATOM 2048 O ASP A 130 -27.815 -2.054 -5.873 1.00 0.00 O ATOM 2049 CB ASP A 130 -27.275 -5.310 -5.895 1.00 0.00 C ATOM 2050 CG ASP A 130 -28.549 -5.077 -6.685 1.00 0.00 C ATOM 2051 OD1 ASP A 130 -28.473 -4.983 -7.926 1.00 0.00 O ATOM 2052 OD2 ASP A 130 -29.632 -4.991 -6.068 1.00 0.00 O ATOM 0 H ASP A 130 -25.357 -5.149 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 130 -26.071 -3.714 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -26.665 -6.055 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -27.527 -5.721 -4.917 1.00 0.00 H new ATOM 2057 N ALA A 131 -27.566 -3.003 -3.845 1.00 0.00 N ATOM 2058 CA ALA A 131 -28.495 -2.116 -3.178 1.00 0.00 C ATOM 2059 C ALA A 131 -27.951 -0.705 -3.035 1.00 0.00 C ATOM 2060 O ALA A 131 -28.583 0.272 -3.435 1.00 0.00 O ATOM 2061 CB ALA A 131 -28.828 -2.645 -1.801 1.00 0.00 C ATOM 0 H ALA A 131 -27.104 -3.669 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 131 -29.388 -2.077 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -29.528 -1.968 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -29.281 -3.633 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -27.916 -2.716 -1.208 1.00 0.00 H new ATOM 2067 N MET A 132 -26.763 -0.622 -2.459 1.00 0.00 N ATOM 2068 CA MET A 132 -26.208 0.635 -1.976 1.00 0.00 C ATOM 2069 C MET A 132 -25.671 1.507 -3.096 1.00 0.00 C ATOM 2070 O MET A 132 -25.244 2.634 -2.845 1.00 0.00 O ATOM 2071 CB MET A 132 -25.112 0.342 -0.954 1.00 0.00 C ATOM 2072 CG MET A 132 -25.590 -0.420 0.271 1.00 0.00 C ATOM 2073 SD MET A 132 -26.515 0.616 1.417 1.00 0.00 S ATOM 2074 CE MET A 132 -25.246 1.774 1.923 1.00 0.00 C ATOM 0 H MET A 132 -26.153 -1.426 -2.312 1.00 0.00 H new ATOM 0 HA MET A 132 -27.016 1.197 -1.508 1.00 0.00 H new ATOM 0 HB2 MET A 132 -24.322 -0.231 -1.439 1.00 0.00 H new ATOM 0 HB3 MET A 132 -24.670 1.285 -0.632 1.00 0.00 H new ATOM 0 HG2 MET A 132 -26.217 -1.253 -0.046 1.00 0.00 H new ATOM 0 HG3 MET A 132 -24.730 -0.847 0.787 1.00 0.00 H new ATOM 0 HE1 MET A 132 -25.682 2.767 2.030 1.00 0.00 H new ATOM 0 HE2 MET A 132 -24.824 1.458 2.877 1.00 0.00 H new ATOM 0 HE3 MET A 132 -24.458 1.803 1.170 1.00 0.00 H new ATOM 2084 N ASP A 133 -25.681 1.006 -4.322 1.00 0.00 N ATOM 2085 CA ASP A 133 -25.395 1.855 -5.467 1.00 0.00 C ATOM 2086 C ASP A 133 -26.592 2.769 -5.695 1.00 0.00 C ATOM 2087 O ASP A 133 -27.473 2.489 -6.510 1.00 0.00 O ATOM 2088 CB ASP A 133 -25.084 1.026 -6.716 1.00 0.00 C ATOM 2089 CG ASP A 133 -24.824 1.891 -7.935 1.00 0.00 C ATOM 2090 OD1 ASP A 133 -23.972 2.800 -7.855 1.00 0.00 O ATOM 2091 OD2 ASP A 133 -25.464 1.664 -8.978 1.00 0.00 O ATOM 0 H ASP A 133 -25.881 0.031 -4.547 1.00 0.00 H new ATOM 0 HA ASP A 133 -24.507 2.454 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -24.212 0.400 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -25.919 0.356 -6.921 1.00 0.00 H new ATOM 2096 N GLY A 134 -26.637 3.840 -4.923 1.00 0.00 N ATOM 2097 CA GLY A 134 -27.811 4.683 -4.874 1.00 0.00 C ATOM 2098 C GLY A 134 -28.284 4.908 -3.448 1.00 0.00 C ATOM 2099 O GLY A 134 -29.378 5.423 -3.219 1.00 0.00 O ATOM 0 H GLY A 134 -25.871 4.144 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -27.589 5.643 -5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -28.612 4.225 -5.455 1.00 0.00 H new ATOM 2103 N ALA A 135 -27.454 4.519 -2.489 1.00 0.00 N ATOM 2104 CA ALA A 135 -27.771 4.685 -1.074 1.00 0.00 C ATOM 2105 C ALA A 135 -27.195 5.980 -0.535 1.00 0.00 C ATOM 2106 O ALA A 135 -26.057 6.320 -0.832 1.00 0.00 O ATOM 2107 CB ALA A 135 -27.203 3.533 -0.286 1.00 0.00 C ATOM 0 H ALA A 135 -26.549 4.083 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 135 -28.856 4.712 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -27.442 3.661 0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -27.635 2.599 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -26.121 3.505 -0.412 1.00 0.00 H new ATOM 2113 N VAL A 136 -27.954 6.684 0.286 1.00 0.00 N ATOM 2114 CA VAL A 136 -27.486 7.952 0.822 1.00 0.00 C ATOM 2115 C VAL A 136 -27.013 7.791 2.264 1.00 0.00 C ATOM 2116 O VAL A 136 -27.815 7.558 3.167 1.00 0.00 O ATOM 2117 CB VAL A 136 -28.575 9.039 0.758 1.00 0.00 C ATOM 2118 CG1 VAL A 136 -27.964 10.401 1.027 1.00 0.00 C ATOM 2119 CG2 VAL A 136 -29.283 9.024 -0.589 1.00 0.00 C ATOM 0 H VAL A 136 -28.886 6.405 0.594 1.00 0.00 H new ATOM 0 HA VAL A 136 -26.649 8.268 0.200 1.00 0.00 H new ATOM 0 HB VAL A 136 -29.319 8.829 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -28.741 11.164 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -27.509 10.407 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -27.202 10.612 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -30.047 9.801 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -28.559 9.208 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -29.751 8.052 -0.743 1.00 0.00 H new ATOM 2129 N LEU A 137 -25.704 7.910 2.474 1.00 0.00 N ATOM 2130 CA LEU A 137 -25.133 7.777 3.816 1.00 0.00 C ATOM 2131 C LEU A 137 -25.078 9.133 4.525 1.00 0.00 C ATOM 2132 O LEU A 137 -24.767 9.217 5.714 1.00 0.00 O ATOM 2133 CB LEU A 137 -23.744 7.081 3.766 1.00 0.00 C ATOM 2134 CG LEU A 137 -22.505 7.897 3.309 1.00 0.00 C ATOM 2135 CD1 LEU A 137 -22.821 8.862 2.183 1.00 0.00 C ATOM 2136 CD2 LEU A 137 -21.869 8.626 4.480 1.00 0.00 C ATOM 0 H LEU A 137 -25.021 8.097 1.739 1.00 0.00 H new ATOM 0 HA LEU A 137 -25.788 7.135 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -23.534 6.696 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -23.832 6.220 3.104 1.00 0.00 H new ATOM 0 HG LEU A 137 -21.788 7.176 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -21.918 9.405 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -23.191 8.307 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -23.582 9.569 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -21.004 9.189 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -22.594 9.310 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -21.552 7.902 5.231 1.00 0.00 H new ATOM 2148 N ASP A 138 -25.401 10.191 3.783 1.00 0.00 N ATOM 2149 CA ASP A 138 -25.444 11.548 4.325 1.00 0.00 C ATOM 2150 C ASP A 138 -26.099 12.485 3.319 1.00 0.00 C ATOM 2151 O ASP A 138 -27.228 12.928 3.513 1.00 0.00 O ATOM 2152 CB ASP A 138 -24.038 12.060 4.665 1.00 0.00 C ATOM 2153 CG ASP A 138 -24.054 13.453 5.274 1.00 0.00 C ATOM 2154 OD1 ASP A 138 -24.324 13.576 6.492 1.00 0.00 O ATOM 2155 OD2 ASP A 138 -23.813 14.429 4.535 1.00 0.00 O ATOM 0 H ASP A 138 -25.639 10.132 2.793 1.00 0.00 H new ATOM 0 HA ASP A 138 -26.029 11.524 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -23.562 11.369 5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -23.430 12.070 3.760 1.00 0.00 H new ATOM 2160 N GLY A 139 -25.389 12.760 2.235 1.00 0.00 N ATOM 2161 CA GLY A 139 -25.924 13.595 1.176 1.00 0.00 C ATOM 2162 C GLY A 139 -25.448 13.134 -0.184 1.00 0.00 C ATOM 2163 O GLY A 139 -25.319 13.927 -1.116 1.00 0.00 O ATOM 0 H GLY A 139 -24.443 12.417 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -27.013 13.573 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -25.621 14.629 1.338 1.00 0.00 H new ATOM 2167 N ARG A 140 -25.181 11.841 -0.285 1.00 0.00 N ATOM 2168 CA ARG A 140 -24.661 11.239 -1.501 1.00 0.00 C ATOM 2169 C ARG A 140 -25.149 9.809 -1.629 1.00 0.00 C ATOM 2170 O ARG A 140 -25.168 9.077 -0.637 1.00 0.00 O ATOM 2171 CB ARG A 140 -23.132 11.224 -1.461 1.00 0.00 C ATOM 2172 CG ARG A 140 -22.503 10.240 -2.434 1.00 0.00 C ATOM 2173 CD ARG A 140 -22.304 10.859 -3.808 1.00 0.00 C ATOM 2174 NE ARG A 140 -21.241 11.862 -3.784 1.00 0.00 N ATOM 2175 CZ ARG A 140 -20.733 12.453 -4.862 1.00 0.00 C ATOM 2176 NH1 ARG A 140 -21.227 12.203 -6.069 1.00 0.00 N ATOM 2177 NH2 ARG A 140 -19.729 13.309 -4.726 1.00 0.00 N ATOM 0 H ARG A 140 -25.320 11.178 0.478 1.00 0.00 H new ATOM 0 HA ARG A 140 -25.010 11.826 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -22.762 12.225 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -22.807 10.979 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -21.542 9.905 -2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -23.137 9.358 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -22.057 10.080 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -23.234 11.318 -4.142 1.00 0.00 H new ATOM 0 HE ARG A 140 -20.861 12.128 -2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -22.004 11.552 -6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -20.829 12.662 -6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -19.352 13.510 -3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -19.334 13.766 -5.548 1.00 0.00 H new ATOM 2191 N GLU A 141 -25.532 9.412 -2.832 1.00 0.00 N ATOM 2192 CA GLU A 141 -25.766 8.009 -3.108 1.00 0.00 C ATOM 2193 C GLU A 141 -24.439 7.356 -3.439 1.00 0.00 C ATOM 2194 O GLU A 141 -23.819 7.676 -4.455 1.00 0.00 O ATOM 2195 CB GLU A 141 -26.732 7.798 -4.268 1.00 0.00 C ATOM 2196 CG GLU A 141 -28.083 8.469 -4.091 1.00 0.00 C ATOM 2197 CD GLU A 141 -28.937 8.383 -5.339 1.00 0.00 C ATOM 2198 OE1 GLU A 141 -28.968 7.309 -5.975 1.00 0.00 O ATOM 2199 OE2 GLU A 141 -29.560 9.398 -5.709 1.00 0.00 O ATOM 0 H GLU A 141 -25.685 10.036 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 141 -26.218 7.561 -2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -26.271 8.173 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -26.887 6.728 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -28.611 8.003 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -27.934 9.516 -3.827 1.00 0.00 H new ATOM 2206 N LEU A 142 -23.987 6.481 -2.561 1.00 0.00 N ATOM 2207 CA LEU A 142 -22.720 5.794 -2.762 1.00 0.00 C ATOM 2208 C LEU A 142 -22.727 5.011 -4.065 1.00 0.00 C ATOM 2209 O LEU A 142 -23.718 4.367 -4.407 1.00 0.00 O ATOM 2210 CB LEU A 142 -22.400 4.836 -1.606 1.00 0.00 C ATOM 2211 CG LEU A 142 -22.123 5.485 -0.249 1.00 0.00 C ATOM 2212 CD1 LEU A 142 -21.374 6.793 -0.427 1.00 0.00 C ATOM 2213 CD2 LEU A 142 -23.412 5.687 0.531 1.00 0.00 C ATOM 0 H LEU A 142 -24.475 6.228 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 142 -21.950 6.564 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -23.236 4.146 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -21.531 4.241 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 142 -21.491 4.812 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -21.186 7.240 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -20.425 6.603 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -21.973 7.476 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -23.187 6.150 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -24.082 6.334 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -23.892 4.723 0.696 1.00 0.00 H new ATOM 2225 N ARG A 143 -21.629 5.085 -4.796 1.00 0.00 N ATOM 2226 CA ARG A 143 -21.460 4.254 -5.970 1.00 0.00 C ATOM 2227 C ARG A 143 -20.781 2.969 -5.562 1.00 0.00 C ATOM 2228 O ARG A 143 -19.562 2.831 -5.648 1.00 0.00 O ATOM 2229 CB ARG A 143 -20.664 4.977 -7.054 1.00 0.00 C ATOM 2230 CG ARG A 143 -21.492 6.003 -7.796 1.00 0.00 C ATOM 2231 CD ARG A 143 -22.576 5.334 -8.618 1.00 0.00 C ATOM 2232 NE ARG A 143 -23.463 6.297 -9.259 1.00 0.00 N ATOM 2233 CZ ARG A 143 -24.765 6.089 -9.451 1.00 0.00 C ATOM 2234 NH1 ARG A 143 -25.324 4.952 -9.046 1.00 0.00 N ATOM 2235 NH2 ARG A 143 -25.504 7.016 -10.048 1.00 0.00 N ATOM 0 H ARG A 143 -20.847 5.709 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 143 -22.438 4.029 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -19.803 5.469 -6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -20.276 4.246 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -21.944 6.694 -7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -20.848 6.593 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -22.115 4.706 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -23.162 4.677 -7.975 1.00 0.00 H new ATOM 0 HE ARG A 143 -23.064 7.180 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -24.756 4.239 -8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -26.321 4.793 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -25.075 7.887 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -26.501 6.857 -10.195 1.00 0.00 H new ATOM 2249 N VAL A 144 -21.583 2.057 -5.057 1.00 0.00 N ATOM 2250 CA VAL A 144 -21.077 0.816 -4.508 1.00 0.00 C ATOM 2251 C VAL A 144 -20.952 -0.237 -5.590 1.00 0.00 C ATOM 2252 O VAL A 144 -21.942 -0.671 -6.176 1.00 0.00 O ATOM 2253 CB VAL A 144 -21.974 0.290 -3.373 1.00 0.00 C ATOM 2254 CG1 VAL A 144 -21.359 -0.941 -2.719 1.00 0.00 C ATOM 2255 CG2 VAL A 144 -22.208 1.380 -2.342 1.00 0.00 C ATOM 0 H VAL A 144 -22.598 2.153 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 144 -20.090 1.025 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 144 -22.934 -0.000 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -22.012 -1.293 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -21.240 -1.728 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -20.384 -0.684 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -22.844 0.996 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -21.252 1.696 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -22.696 2.231 -2.817 1.00 0.00 H new ATOM 2265 N GLN A 145 -19.724 -0.627 -5.859 1.00 0.00 N ATOM 2266 CA GLN A 145 -19.437 -1.653 -6.840 1.00 0.00 C ATOM 2267 C GLN A 145 -18.580 -2.722 -6.190 1.00 0.00 C ATOM 2268 O GLN A 145 -17.817 -2.427 -5.269 1.00 0.00 O ATOM 2269 CB GLN A 145 -18.706 -1.046 -8.044 1.00 0.00 C ATOM 2270 CG GLN A 145 -19.514 0.009 -8.788 1.00 0.00 C ATOM 2271 CD GLN A 145 -20.751 -0.567 -9.449 1.00 0.00 C ATOM 2272 OE1 GLN A 145 -20.762 -1.724 -9.868 1.00 0.00 O ATOM 2273 NE2 GLN A 145 -21.804 0.232 -9.540 1.00 0.00 N ATOM 0 H GLN A 145 -18.896 -0.242 -5.404 1.00 0.00 H new ATOM 0 HA GLN A 145 -20.369 -2.094 -7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -17.772 -0.600 -7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -18.443 -1.845 -8.738 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -19.810 0.793 -8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -18.885 0.476 -9.546 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -21.754 1.185 -9.180 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -22.665 -0.106 -9.970 1.00 0.00 H new ATOM 2282 N MET A 146 -18.717 -3.960 -6.628 1.00 0.00 N ATOM 2283 CA MET A 146 -17.879 -5.021 -6.105 1.00 0.00 C ATOM 2284 C MET A 146 -16.460 -4.824 -6.615 1.00 0.00 C ATOM 2285 O MET A 146 -16.217 -4.845 -7.823 1.00 0.00 O ATOM 2286 CB MET A 146 -18.422 -6.397 -6.504 1.00 0.00 C ATOM 2287 CG MET A 146 -17.695 -7.554 -5.834 1.00 0.00 C ATOM 2288 SD MET A 146 -18.486 -9.142 -6.136 1.00 0.00 S ATOM 2289 CE MET A 146 -20.076 -8.828 -5.395 1.00 0.00 C ATOM 0 H MET A 146 -19.391 -4.252 -7.335 1.00 0.00 H new ATOM 0 HA MET A 146 -17.880 -4.979 -5.016 1.00 0.00 H new ATOM 0 HB2 MET A 146 -19.481 -6.448 -6.251 1.00 0.00 H new ATOM 0 HB3 MET A 146 -18.347 -6.509 -7.586 1.00 0.00 H new ATOM 0 HG2 MET A 146 -16.668 -7.590 -6.196 1.00 0.00 H new ATOM 0 HG3 MET A 146 -17.648 -7.375 -4.760 1.00 0.00 H new ATOM 0 HE1 MET A 146 -20.511 -9.768 -5.055 1.00 0.00 H new ATOM 0 HE2 MET A 146 -19.955 -8.156 -4.546 1.00 0.00 H new ATOM 0 HE3 MET A 146 -20.736 -8.368 -6.131 1.00 0.00 H new ATOM 2299 N ALA A 147 -15.536 -4.603 -5.693 1.00 0.00 N ATOM 2300 CA ALA A 147 -14.164 -4.304 -6.055 1.00 0.00 C ATOM 2301 C ALA A 147 -13.487 -5.530 -6.642 1.00 0.00 C ATOM 2302 O ALA A 147 -13.206 -6.502 -5.943 1.00 0.00 O ATOM 2303 CB ALA A 147 -13.401 -3.773 -4.851 1.00 0.00 C ATOM 0 H ALA A 147 -15.714 -4.626 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 147 -14.166 -3.528 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -12.373 -3.554 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -13.879 -2.862 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -13.403 -4.522 -4.059 1.00 0.00 H new