USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 793 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 96 THR OG1 : rot 81:sc= 0.214 USER MOD Set 1.2: A 98 THR OG1 : rot 171:sc= -0.0306 USER MOD Set 2.1: A 52 THR OG1 : rot 112:sc= 0.671 USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0.715 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.34 X(o=0.34,f=0.12) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.0303 K(o=0.03,f=-5.9!) USER MOD Single : A 4 MET CE :methyl 166:sc= -0.402 (180deg=-0.903) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0593 (180deg=-0.301) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 57:sc= 0.197 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc=-0.000359 (180deg=-0.0937) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.952 K(o=-0.95,f=-1.9) USER MOD Single : A 36 TYR OH : rot 150:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.256 X(o=0.26,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.0783 K(o=-0.078,f=-1.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 48 TYR OH : rot 39:sc= 0.883 USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= 1.29 (180deg=0.212) USER MOD Single : A 55 TYR OH : rot 44:sc= 1.24 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 81 MET CE :methyl -138:sc= -0.315 (180deg=-1.33!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 170:sc= -0.0191 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 90 TYR OH : rot -165:sc= -0.898 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.83 K(o=-0.83,f=-2.9!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -42.345 3.175 -3.824 1.00 4.75 N ATOM 2 CA GLY A 1 -40.956 3.109 -3.314 1.00 3.82 C ATOM 3 C GLY A 1 -40.572 4.385 -2.591 1.00 2.64 C ATOM 4 O GLY A 1 -40.548 5.458 -3.192 1.00 2.97 O ATOM 0 H1 GLY A 1 -42.578 2.287 -4.314 1.00 4.75 H new ATOM 0 H2 GLY A 1 -43.001 3.314 -3.029 1.00 4.75 H new ATOM 0 H3 GLY A 1 -42.433 3.970 -4.488 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -40.855 2.261 -2.637 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -40.270 2.938 -4.143 1.00 3.82 H new ATOM 10 N SER A 2 -40.311 4.283 -1.296 1.00 1.83 N ATOM 11 CA SER A 2 -39.944 5.444 -0.498 1.00 1.07 C ATOM 12 C SER A 2 -38.468 5.390 -0.133 1.00 0.80 C ATOM 13 O SER A 2 -38.017 6.071 0.779 1.00 0.96 O ATOM 14 CB SER A 2 -40.796 5.485 0.769 1.00 1.95 C ATOM 15 OG SER A 2 -42.177 5.456 0.446 1.00 2.45 O ATOM 0 H SER A 2 -40.347 3.407 -0.775 1.00 1.83 H new ATOM 0 HA SER A 2 -40.123 6.347 -1.082 1.00 1.07 H new ATOM 0 HB2 SER A 2 -40.549 4.636 1.407 1.00 1.95 H new ATOM 0 HB3 SER A 2 -40.569 6.387 1.337 1.00 1.95 H new ATOM 0 HG SER A 2 -42.706 5.481 1.270 1.00 2.45 H new ATOM 21 N HIS A 3 -37.719 4.572 -0.859 1.00 0.62 N ATOM 22 CA HIS A 3 -36.294 4.418 -0.610 1.00 0.44 C ATOM 23 C HIS A 3 -35.480 4.804 -1.840 1.00 0.40 C ATOM 24 O HIS A 3 -36.005 4.858 -2.954 1.00 0.53 O ATOM 25 CB HIS A 3 -35.966 2.972 -0.235 1.00 0.55 C ATOM 26 CG HIS A 3 -36.449 2.555 1.120 1.00 1.04 C ATOM 27 ND1 HIS A 3 -36.827 1.265 1.422 1.00 1.55 N ATOM 28 CD2 HIS A 3 -36.561 3.255 2.269 1.00 1.91 C ATOM 29 CE1 HIS A 3 -37.147 1.191 2.699 1.00 2.22 C ATOM 30 NE2 HIS A 3 -36.991 2.385 3.240 1.00 2.50 N ATOM 0 H HIS A 3 -38.076 4.004 -1.627 1.00 0.62 H new ATOM 0 HA HIS A 3 -36.033 5.079 0.216 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -36.402 2.309 -0.982 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -34.886 2.835 -0.279 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -36.855 0.489 0.761 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -36.351 4.306 2.400 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -37.481 0.303 3.215 1.00 2.22 H new ATOM 39 N MET A 4 -34.191 5.057 -1.635 1.00 0.38 N ATOM 40 CA MET A 4 -33.285 5.372 -2.729 1.00 0.41 C ATOM 41 C MET A 4 -32.306 4.217 -2.888 1.00 0.37 C ATOM 42 O MET A 4 -31.879 3.627 -1.890 1.00 0.43 O ATOM 43 CB MET A 4 -32.536 6.687 -2.461 1.00 0.54 C ATOM 44 CG MET A 4 -33.463 7.852 -2.163 1.00 1.29 C ATOM 45 SD MET A 4 -32.574 9.394 -1.886 1.00 1.92 S ATOM 46 CE MET A 4 -31.742 9.586 -3.461 1.00 2.06 C ATOM 0 H MET A 4 -33.751 5.049 -0.715 1.00 0.38 H new ATOM 0 HA MET A 4 -33.854 5.506 -3.649 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.857 6.546 -1.620 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.922 6.932 -3.328 1.00 0.54 H new ATOM 0 HG2 MET A 4 -34.156 7.981 -2.994 1.00 1.29 H new ATOM 0 HG3 MET A 4 -34.061 7.619 -1.282 1.00 1.29 H new ATOM 0 HE1 MET A 4 -31.354 10.601 -3.546 1.00 2.06 H new ATOM 0 HE2 MET A 4 -30.917 8.876 -3.526 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.447 9.398 -4.270 1.00 2.06 H new ATOM 56 N GLN A 5 -32.015 3.849 -4.127 1.00 0.34 N ATOM 57 CA GLN A 5 -31.130 2.731 -4.402 1.00 0.33 C ATOM 58 C GLN A 5 -29.664 3.140 -4.273 1.00 0.29 C ATOM 59 O GLN A 5 -29.190 4.026 -4.986 1.00 0.49 O ATOM 60 CB GLN A 5 -31.400 2.174 -5.805 1.00 0.44 C ATOM 61 CG GLN A 5 -30.514 0.994 -6.188 1.00 0.53 C ATOM 62 CD GLN A 5 -30.788 0.482 -7.593 1.00 1.07 C ATOM 63 OE1 GLN A 5 -30.192 0.949 -8.564 1.00 1.90 O ATOM 64 NE2 GLN A 5 -31.683 -0.487 -7.713 1.00 1.53 N ATOM 0 H GLN A 5 -32.381 4.311 -4.959 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.331 1.954 -3.664 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.444 1.866 -5.867 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.259 2.972 -6.534 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.468 1.291 -6.112 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.667 0.184 -5.475 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -32.157 -0.849 -6.885 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -31.898 -0.871 -8.633 1.00 1.53 H new ATOM 73 N TYR A 6 -28.964 2.499 -3.345 1.00 0.20 N ATOM 74 CA TYR A 6 -27.537 2.736 -3.139 1.00 0.21 C ATOM 75 C TYR A 6 -26.776 1.431 -3.359 1.00 0.23 C ATOM 76 O TYR A 6 -27.251 0.361 -2.959 1.00 0.30 O ATOM 77 CB TYR A 6 -27.254 3.271 -1.716 1.00 0.28 C ATOM 78 CG TYR A 6 -27.576 4.738 -1.524 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.593 5.711 -1.672 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.866 5.153 -1.205 1.00 0.78 C ATOM 81 CE1 TYR A 6 -26.887 7.051 -1.511 1.00 0.82 C ATOM 82 CE2 TYR A 6 -29.165 6.491 -1.042 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.158 7.432 -1.150 1.00 0.43 C ATOM 84 OH TYR A 6 -28.474 8.765 -1.034 1.00 0.53 O ATOM 0 H TYR A 6 -29.365 1.803 -2.716 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.205 3.490 -3.853 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.833 2.688 -1.000 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.202 3.109 -1.483 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.584 5.414 -1.917 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.646 4.416 -1.083 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.122 7.797 -1.668 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -30.178 6.800 -0.832 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.414 8.857 -0.772 1.00 0.53 H new ATOM 94 N LYS A 7 -25.623 1.505 -4.018 1.00 0.26 N ATOM 95 CA LYS A 7 -24.820 0.314 -4.269 1.00 0.30 C ATOM 96 C LYS A 7 -23.421 0.459 -3.701 1.00 0.23 C ATOM 97 O LYS A 7 -22.949 1.562 -3.441 1.00 0.31 O ATOM 98 CB LYS A 7 -24.749 -0.034 -5.770 1.00 0.50 C ATOM 99 CG LYS A 7 -24.482 1.146 -6.684 1.00 0.98 C ATOM 100 CD LYS A 7 -24.066 0.674 -8.075 1.00 1.30 C ATOM 101 CE LYS A 7 -25.092 -0.274 -8.682 1.00 1.94 C ATOM 102 NZ LYS A 7 -24.641 -0.826 -9.988 1.00 2.57 N ATOM 0 H LYS A 7 -25.227 2.370 -4.385 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.320 -0.509 -3.758 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -23.965 -0.776 -5.920 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.689 -0.499 -6.066 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.377 1.764 -6.758 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.697 1.771 -6.258 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -23.938 1.537 -8.728 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -23.100 0.173 -8.015 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -25.282 -1.094 -7.989 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -26.036 0.254 -8.819 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -25.369 -1.466 -10.365 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -24.484 -0.047 -10.659 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -23.754 -1.352 -9.855 1.00 2.57 H new ATOM 116 N LEU A 8 -22.786 -0.683 -3.480 1.00 0.22 N ATOM 117 CA LEU A 8 -21.433 -0.735 -2.937 1.00 0.20 C ATOM 118 C LEU A 8 -20.626 -1.811 -3.644 1.00 0.17 C ATOM 119 O LEU A 8 -21.125 -2.910 -3.883 1.00 0.25 O ATOM 120 CB LEU A 8 -21.468 -1.060 -1.437 1.00 0.28 C ATOM 121 CG LEU A 8 -20.101 -1.184 -0.764 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.526 0.178 -0.407 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.224 -2.057 0.455 1.00 0.33 C ATOM 0 H LEU A 8 -23.192 -1.599 -3.671 1.00 0.22 H new ATOM 0 HA LEU A 8 -20.971 0.240 -3.091 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.037 -0.283 -0.927 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -22.010 -1.995 -1.297 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.406 -1.644 -1.467 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.554 0.049 0.069 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.410 0.773 -1.313 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.201 0.690 0.279 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.251 -2.148 0.937 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -20.934 -1.611 1.152 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.576 -3.046 0.161 1.00 0.33 H new ATOM 135 N ILE A 9 -19.379 -1.492 -3.964 1.00 0.15 N ATOM 136 CA ILE A 9 -18.477 -2.439 -4.598 1.00 0.14 C ATOM 137 C ILE A 9 -17.311 -2.717 -3.666 1.00 0.13 C ATOM 138 O ILE A 9 -16.621 -1.789 -3.235 1.00 0.17 O ATOM 139 CB ILE A 9 -17.920 -1.897 -5.944 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.043 -1.458 -6.894 1.00 0.26 C ATOM 141 CG2 ILE A 9 -17.057 -2.939 -6.623 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.568 -0.527 -8.004 1.00 0.62 C ATOM 0 H ILE A 9 -18.968 -0.575 -3.792 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.040 -3.349 -4.803 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.314 -1.022 -5.709 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.497 -2.342 -7.341 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.821 -0.957 -6.318 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.677 -2.540 -7.563 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.220 -3.198 -5.974 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.652 -3.831 -6.821 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.412 -0.256 -8.638 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.140 0.374 -7.565 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -17.811 -1.033 -8.604 1.00 0.62 H new ATOM 154 N LEU A 10 -17.117 -3.983 -3.321 1.00 0.12 N ATOM 155 CA LEU A 10 -16.013 -4.353 -2.460 1.00 0.13 C ATOM 156 C LEU A 10 -14.828 -4.732 -3.311 1.00 0.15 C ATOM 157 O LEU A 10 -14.852 -5.757 -3.996 1.00 0.25 O ATOM 158 CB LEU A 10 -16.329 -5.531 -1.518 1.00 0.14 C ATOM 159 CG LEU A 10 -17.496 -5.376 -0.529 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.557 -3.987 0.068 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.824 -5.759 -1.165 1.00 0.19 C ATOM 0 H LEU A 10 -17.705 -4.760 -3.623 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.806 -3.485 -1.834 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.529 -6.407 -2.135 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.430 -5.747 -0.941 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.307 -6.070 0.290 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.397 -3.925 0.760 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.630 -3.780 0.603 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.688 -3.254 -0.728 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.625 -5.637 -0.436 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -19.014 -5.117 -2.025 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.785 -6.799 -1.490 1.00 0.19 H new ATOM 173 N ASN A 11 -13.826 -3.876 -3.329 1.00 0.15 N ATOM 174 CA ASN A 11 -12.629 -4.181 -4.064 1.00 0.18 C ATOM 175 C ASN A 11 -11.563 -4.602 -3.066 1.00 0.20 C ATOM 176 O ASN A 11 -10.826 -3.769 -2.536 1.00 0.24 O ATOM 177 CB ASN A 11 -12.150 -2.962 -4.884 1.00 0.24 C ATOM 178 CG ASN A 11 -13.286 -2.096 -5.399 1.00 1.01 C ATOM 179 OD1 ASN A 11 -13.818 -2.314 -6.487 1.00 1.96 O ATOM 180 ND2 ASN A 11 -13.647 -1.090 -4.622 1.00 1.33 N ATOM 0 H ASN A 11 -13.821 -2.977 -2.848 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.827 -4.985 -4.772 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -11.491 -2.353 -4.265 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.558 -3.312 -5.730 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -14.392 -0.459 -4.917 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -13.180 -0.944 -3.727 1.00 1.33 H new ATOM 187 N GLY A 12 -11.571 -5.883 -2.730 1.00 0.21 N ATOM 188 CA GLY A 12 -10.597 -6.416 -1.804 1.00 0.26 C ATOM 189 C GLY A 12 -10.299 -7.871 -2.088 1.00 0.39 C ATOM 190 O GLY A 12 -11.201 -8.638 -2.395 1.00 0.91 O ATOM 0 H GLY A 12 -12.240 -6.566 -3.086 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.677 -5.836 -1.869 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.968 -6.312 -0.784 1.00 0.26 H new ATOM 194 N LYS A 13 -9.029 -8.234 -1.992 1.00 0.44 N ATOM 195 CA LYS A 13 -8.549 -9.595 -2.253 1.00 0.56 C ATOM 196 C LYS A 13 -9.388 -10.664 -1.549 1.00 0.66 C ATOM 197 O LYS A 13 -9.540 -11.777 -2.050 1.00 0.89 O ATOM 198 CB LYS A 13 -7.096 -9.713 -1.786 1.00 0.76 C ATOM 199 CG LYS A 13 -6.145 -8.755 -2.484 1.00 1.17 C ATOM 200 CD LYS A 13 -5.773 -9.246 -3.867 1.00 1.63 C ATOM 201 CE LYS A 13 -4.937 -10.504 -3.782 1.00 2.41 C ATOM 202 NZ LYS A 13 -3.611 -10.248 -3.159 1.00 3.26 N ATOM 0 H LYS A 13 -8.287 -7.586 -1.727 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.633 -9.768 -3.326 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -7.054 -9.533 -0.712 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.753 -10.734 -1.951 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.609 -7.772 -2.559 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -5.242 -8.637 -1.885 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -6.677 -9.443 -4.444 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -5.219 -8.471 -4.397 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -5.471 -11.256 -3.202 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.795 -10.914 -4.782 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -2.969 -11.037 -3.373 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -3.214 -9.365 -3.539 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -3.722 -10.162 -2.129 1.00 3.26 H new ATOM 216 N THR A 14 -9.927 -10.318 -0.395 1.00 0.76 N ATOM 217 CA THR A 14 -10.711 -11.253 0.399 1.00 1.06 C ATOM 218 C THR A 14 -12.144 -11.380 -0.124 1.00 0.93 C ATOM 219 O THR A 14 -12.736 -12.461 -0.086 1.00 1.20 O ATOM 220 CB THR A 14 -10.735 -10.797 1.869 1.00 1.44 C ATOM 221 OG1 THR A 14 -10.970 -9.384 1.932 1.00 1.93 O ATOM 222 CG2 THR A 14 -9.424 -11.131 2.567 1.00 1.86 C ATOM 0 H THR A 14 -9.837 -9.390 0.018 1.00 0.76 H new ATOM 0 HA THR A 14 -10.238 -12.232 0.321 1.00 1.06 H new ATOM 0 HB THR A 14 -11.539 -11.327 2.379 1.00 1.44 H new ATOM 0 HG1 THR A 14 -10.987 -9.097 2.869 1.00 1.93 H new ATOM 0 HG21 THR A 14 -9.469 -10.798 3.604 1.00 1.86 H new ATOM 0 HG22 THR A 14 -9.261 -12.208 2.539 1.00 1.86 H new ATOM 0 HG23 THR A 14 -8.602 -10.626 2.059 1.00 1.86 H new ATOM 230 N LEU A 15 -12.679 -10.287 -0.655 1.00 0.64 N ATOM 231 CA LEU A 15 -14.043 -10.242 -1.125 1.00 0.66 C ATOM 232 C LEU A 15 -14.197 -9.240 -2.259 1.00 0.49 C ATOM 233 O LEU A 15 -14.029 -8.035 -2.056 1.00 0.55 O ATOM 234 CB LEU A 15 -14.935 -9.838 0.028 1.00 0.92 C ATOM 235 CG LEU A 15 -15.445 -10.991 0.875 1.00 1.07 C ATOM 236 CD1 LEU A 15 -15.723 -10.499 2.269 1.00 1.80 C ATOM 237 CD2 LEU A 15 -16.693 -11.605 0.262 1.00 1.35 C ATOM 0 H LEU A 15 -12.172 -9.409 -0.768 1.00 0.64 H new ATOM 0 HA LEU A 15 -14.322 -11.226 -1.501 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -14.385 -9.150 0.670 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -15.790 -9.290 -0.368 1.00 0.92 H new ATOM 0 HG LEU A 15 -14.682 -11.768 0.914 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -16.089 -11.324 2.880 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -14.805 -10.104 2.705 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -16.476 -9.712 2.234 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -17.038 -12.428 0.887 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -17.475 -10.849 0.194 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -16.462 -11.979 -0.735 1.00 1.35 H new ATOM 249 N LYS A 16 -14.478 -9.736 -3.454 1.00 0.42 N ATOM 250 CA LYS A 16 -14.663 -8.870 -4.607 1.00 0.37 C ATOM 251 C LYS A 16 -16.043 -9.095 -5.210 1.00 0.43 C ATOM 252 O LYS A 16 -16.337 -10.165 -5.741 1.00 0.58 O ATOM 253 CB LYS A 16 -13.572 -9.140 -5.643 1.00 0.45 C ATOM 254 CG LYS A 16 -12.162 -8.903 -5.119 1.00 0.43 C ATOM 255 CD LYS A 16 -11.207 -9.986 -5.562 1.00 1.03 C ATOM 256 CE LYS A 16 -11.833 -11.369 -5.457 1.00 1.81 C ATOM 257 NZ LYS A 16 -10.976 -12.418 -6.067 1.00 2.49 N ATOM 0 H LYS A 16 -14.583 -10.731 -3.650 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.589 -7.830 -4.290 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.655 -10.172 -5.985 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.740 -8.502 -6.510 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.802 -7.936 -5.470 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -12.182 -8.860 -4.030 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -10.902 -9.802 -6.592 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -10.305 -9.948 -4.951 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -12.008 -11.609 -4.408 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -12.806 -11.365 -5.949 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -11.441 -13.344 -5.973 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -10.830 -12.204 -7.074 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -10.057 -12.441 -5.581 1.00 2.49 H new ATOM 271 N GLY A 17 -16.886 -8.086 -5.088 1.00 0.33 N ATOM 272 CA GLY A 17 -18.250 -8.164 -5.566 1.00 0.39 C ATOM 273 C GLY A 17 -18.985 -6.882 -5.263 1.00 0.26 C ATOM 274 O GLY A 17 -18.368 -5.919 -4.807 1.00 0.23 O ATOM 0 H GLY A 17 -16.644 -7.194 -4.656 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.256 -8.350 -6.640 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.760 -9.004 -5.095 1.00 0.39 H new ATOM 278 N GLU A 18 -20.291 -6.858 -5.487 1.00 0.28 N ATOM 279 CA GLU A 18 -21.075 -5.662 -5.223 1.00 0.23 C ATOM 280 C GLU A 18 -22.528 -6.000 -4.898 1.00 0.29 C ATOM 281 O GLU A 18 -23.020 -7.077 -5.239 1.00 0.49 O ATOM 282 CB GLU A 18 -20.980 -4.673 -6.403 1.00 0.46 C ATOM 283 CG GLU A 18 -20.766 -5.306 -7.780 1.00 0.70 C ATOM 284 CD GLU A 18 -21.938 -6.129 -8.258 1.00 1.17 C ATOM 285 OE1 GLU A 18 -22.956 -5.530 -8.677 1.00 1.69 O ATOM 286 OE2 GLU A 18 -21.839 -7.374 -8.238 1.00 1.69 O ATOM 0 H GLU A 18 -20.826 -7.647 -5.848 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.653 -5.178 -4.342 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -21.895 -4.082 -6.433 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -20.160 -3.982 -6.209 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.567 -4.517 -8.506 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.879 -5.939 -7.745 1.00 0.70 H new ATOM 293 N THR A 19 -23.202 -5.085 -4.205 1.00 0.22 N ATOM 294 CA THR A 19 -24.589 -5.300 -3.799 1.00 0.32 C ATOM 295 C THR A 19 -25.303 -3.959 -3.589 1.00 0.29 C ATOM 296 O THR A 19 -24.694 -2.894 -3.742 1.00 0.31 O ATOM 297 CB THR A 19 -24.669 -6.163 -2.509 1.00 0.44 C ATOM 298 OG1 THR A 19 -26.032 -6.511 -2.223 1.00 0.58 O ATOM 299 CG2 THR A 19 -24.068 -5.427 -1.307 1.00 0.45 C ATOM 0 H THR A 19 -22.811 -4.189 -3.913 1.00 0.22 H new ATOM 0 HA THR A 19 -25.092 -5.842 -4.600 1.00 0.32 H new ATOM 0 HB THR A 19 -24.091 -7.070 -2.685 1.00 0.44 H new ATOM 0 HG1 THR A 19 -26.067 -7.056 -1.409 1.00 0.58 H new ATOM 0 HG21 THR A 19 -24.140 -6.058 -0.421 1.00 0.45 H new ATOM 0 HG22 THR A 19 -23.021 -5.199 -1.506 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.615 -4.500 -1.137 1.00 0.45 H new ATOM 307 N THR A 20 -26.584 -4.012 -3.222 1.00 0.27 N ATOM 308 CA THR A 20 -27.386 -2.810 -3.044 1.00 0.24 C ATOM 309 C THR A 20 -28.193 -2.847 -1.746 1.00 0.25 C ATOM 310 O THR A 20 -28.474 -3.919 -1.210 1.00 0.31 O ATOM 311 CB THR A 20 -28.367 -2.622 -4.223 1.00 0.30 C ATOM 312 OG1 THR A 20 -29.184 -3.796 -4.363 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.635 -2.358 -5.543 1.00 0.32 C ATOM 0 H THR A 20 -27.087 -4.881 -3.042 1.00 0.27 H new ATOM 0 HA THR A 20 -26.685 -1.976 -3.002 1.00 0.24 H new ATOM 0 HB THR A 20 -28.985 -1.752 -4.001 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.807 -3.674 -5.110 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.363 -2.232 -6.344 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.036 -1.452 -5.452 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.985 -3.202 -5.773 1.00 0.32 H new ATOM 321 N THR A 21 -28.577 -1.668 -1.266 1.00 0.23 N ATOM 322 CA THR A 21 -29.428 -1.544 -0.088 1.00 0.26 C ATOM 323 C THR A 21 -30.333 -0.331 -0.262 1.00 0.25 C ATOM 324 O THR A 21 -30.032 0.565 -1.057 1.00 0.26 O ATOM 325 CB THR A 21 -28.633 -1.418 1.247 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.516 -1.678 2.351 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.019 -0.017 1.422 1.00 0.28 C ATOM 0 H THR A 21 -28.308 -0.776 -1.681 1.00 0.23 H new ATOM 0 HA THR A 21 -30.008 -2.464 -0.012 1.00 0.26 H new ATOM 0 HB THR A 21 -27.820 -2.144 1.219 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.019 -1.601 3.192 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.474 0.026 2.365 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.335 0.186 0.598 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.813 0.730 1.427 1.00 0.28 H new ATOM 335 N GLU A 22 -31.457 -0.325 0.434 1.00 0.31 N ATOM 336 CA GLU A 22 -32.398 0.779 0.337 1.00 0.36 C ATOM 337 C GLU A 22 -32.217 1.742 1.512 1.00 0.36 C ATOM 338 O GLU A 22 -32.261 1.331 2.668 1.00 0.58 O ATOM 339 CB GLU A 22 -33.844 0.245 0.334 1.00 0.51 C ATOM 340 CG GLU A 22 -34.214 -0.694 -0.819 1.00 1.16 C ATOM 341 CD GLU A 22 -35.629 -1.226 -0.674 1.00 1.77 C ATOM 342 OE1 GLU A 22 -35.806 -2.457 -0.583 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.574 -0.406 -0.640 1.00 2.24 O ATOM 0 H GLU A 22 -31.740 -1.070 1.071 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.205 1.312 -0.594 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.018 -0.280 1.273 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -34.524 1.097 0.315 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -34.120 -0.163 -1.766 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.512 -1.528 -0.850 1.00 1.16 H new ATOM 350 N ALA A 23 -31.997 3.021 1.212 1.00 0.26 N ATOM 351 CA ALA A 23 -31.866 4.038 2.255 1.00 0.28 C ATOM 352 C ALA A 23 -32.501 5.348 1.781 1.00 0.31 C ATOM 353 O ALA A 23 -32.703 5.527 0.584 1.00 0.38 O ATOM 354 CB ALA A 23 -30.397 4.252 2.610 1.00 0.32 C ATOM 0 H ALA A 23 -31.906 3.377 0.260 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.385 3.697 3.151 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.318 5.012 3.387 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.970 3.317 2.972 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.853 4.581 1.725 1.00 0.32 H new ATOM 360 N VAL A 24 -32.870 6.229 2.707 1.00 0.35 N ATOM 361 CA VAL A 24 -33.484 7.506 2.336 1.00 0.45 C ATOM 362 C VAL A 24 -32.490 8.662 2.452 1.00 0.49 C ATOM 363 O VAL A 24 -32.853 9.821 2.259 1.00 0.74 O ATOM 364 CB VAL A 24 -34.723 7.821 3.210 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.821 6.790 2.980 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.347 7.879 4.684 1.00 1.09 C ATOM 0 H VAL A 24 -32.757 6.087 3.711 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.797 7.404 1.297 1.00 0.45 H new ATOM 0 HB VAL A 24 -35.102 8.800 2.916 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.682 7.030 3.604 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -36.118 6.802 1.931 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.450 5.799 3.240 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -35.234 8.102 5.277 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.936 6.918 4.993 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.602 8.659 4.839 1.00 1.09 H new ATOM 376 N ASP A 25 -31.232 8.338 2.719 1.00 0.39 N ATOM 377 CA ASP A 25 -30.200 9.355 2.907 1.00 0.45 C ATOM 378 C ASP A 25 -28.831 8.800 2.545 1.00 0.39 C ATOM 379 O ASP A 25 -28.604 7.591 2.613 1.00 0.35 O ATOM 380 CB ASP A 25 -30.208 9.861 4.359 1.00 0.54 C ATOM 381 CG ASP A 25 -28.970 10.642 4.743 1.00 1.25 C ATOM 382 OD1 ASP A 25 -28.755 11.725 4.162 1.00 1.51 O ATOM 383 OD2 ASP A 25 -28.224 10.200 5.638 1.00 2.13 O ATOM 0 H ASP A 25 -30.899 7.378 2.811 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.416 10.194 2.245 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -31.084 10.492 4.509 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -30.310 9.008 5.030 1.00 0.54 H new ATOM 388 N ALA A 26 -27.915 9.693 2.215 1.00 0.44 N ATOM 389 CA ALA A 26 -26.580 9.300 1.795 1.00 0.46 C ATOM 390 C ALA A 26 -25.738 8.859 2.984 1.00 0.38 C ATOM 391 O ALA A 26 -25.064 7.830 2.928 1.00 0.37 O ATOM 392 CB ALA A 26 -25.898 10.442 1.059 1.00 0.59 C ATOM 0 H ALA A 26 -28.072 10.701 2.230 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.677 8.452 1.116 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.899 10.132 0.751 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.483 10.708 0.178 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.822 11.306 1.719 1.00 0.59 H new ATOM 398 N ALA A 27 -25.841 9.588 4.090 1.00 0.39 N ATOM 399 CA ALA A 27 -25.048 9.282 5.275 1.00 0.38 C ATOM 400 C ALA A 27 -25.550 8.003 5.929 1.00 0.31 C ATOM 401 O ALA A 27 -24.764 7.168 6.376 1.00 0.32 O ATOM 402 CB ALA A 27 -25.081 10.439 6.261 1.00 0.48 C ATOM 0 H ALA A 27 -26.462 10.391 4.191 1.00 0.39 H new ATOM 0 HA ALA A 27 -24.013 9.131 4.968 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.483 10.188 7.137 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.674 11.332 5.787 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.110 10.627 6.567 1.00 0.48 H new ATOM 408 N THR A 28 -26.865 7.842 5.933 1.00 0.31 N ATOM 409 CA THR A 28 -27.493 6.645 6.484 1.00 0.30 C ATOM 410 C THR A 28 -27.092 5.410 5.672 1.00 0.24 C ATOM 411 O THR A 28 -26.940 4.318 6.215 1.00 0.28 O ATOM 412 CB THR A 28 -29.034 6.775 6.496 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.419 8.041 7.057 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.670 5.656 7.317 1.00 0.45 C ATOM 0 H THR A 28 -27.522 8.527 5.560 1.00 0.31 H new ATOM 0 HA THR A 28 -27.146 6.534 7.511 1.00 0.30 H new ATOM 0 HB THR A 28 -29.383 6.704 5.466 1.00 0.36 H new ATOM 0 HG1 THR A 28 -28.994 8.765 6.552 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.754 5.770 7.310 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.404 4.691 6.885 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.307 5.706 8.344 1.00 0.45 H new ATOM 422 N ALA A 29 -26.831 5.612 4.386 1.00 0.21 N ATOM 423 CA ALA A 29 -26.457 4.515 3.506 1.00 0.22 C ATOM 424 C ALA A 29 -25.021 4.105 3.771 1.00 0.21 C ATOM 425 O ALA A 29 -24.682 2.919 3.756 1.00 0.25 O ATOM 426 CB ALA A 29 -26.627 4.922 2.051 1.00 0.28 C ATOM 0 H ALA A 29 -26.872 6.524 3.931 1.00 0.21 H new ATOM 0 HA ALA A 29 -27.110 3.666 3.707 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -26.343 4.091 1.405 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.668 5.186 1.866 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.991 5.781 1.837 1.00 0.28 H new ATOM 432 N GLU A 30 -24.196 5.106 4.047 1.00 0.19 N ATOM 433 CA GLU A 30 -22.789 4.898 4.326 1.00 0.20 C ATOM 434 C GLU A 30 -22.629 4.063 5.591 1.00 0.20 C ATOM 435 O GLU A 30 -22.075 2.969 5.555 1.00 0.23 O ATOM 436 CB GLU A 30 -22.088 6.247 4.514 1.00 0.24 C ATOM 437 CG GLU A 30 -20.584 6.196 4.317 1.00 0.35 C ATOM 438 CD GLU A 30 -19.903 7.494 4.691 1.00 0.50 C ATOM 439 OE1 GLU A 30 -20.192 8.528 4.048 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.072 7.489 5.622 1.00 1.29 O ATOM 0 H GLU A 30 -24.487 6.083 4.083 1.00 0.19 H new ATOM 0 HA GLU A 30 -22.338 4.371 3.485 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.512 6.965 3.812 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.300 6.618 5.517 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -20.170 5.387 4.918 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -20.366 5.963 3.275 1.00 0.35 H new ATOM 447 N LYS A 31 -23.211 4.568 6.681 1.00 0.20 N ATOM 448 CA LYS A 31 -23.127 3.945 8.002 1.00 0.24 C ATOM 449 C LYS A 31 -23.441 2.446 7.991 1.00 0.22 C ATOM 450 O LYS A 31 -22.709 1.659 8.587 1.00 0.26 O ATOM 451 CB LYS A 31 -24.052 4.665 8.989 1.00 0.29 C ATOM 452 CG LYS A 31 -23.648 6.109 9.262 1.00 0.39 C ATOM 453 CD LYS A 31 -22.163 6.227 9.568 1.00 1.10 C ATOM 454 CE LYS A 31 -21.784 7.640 9.991 1.00 1.86 C ATOM 455 NZ LYS A 31 -22.325 7.987 11.334 1.00 2.42 N ATOM 0 H LYS A 31 -23.758 5.429 6.670 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.089 4.044 8.321 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.069 4.649 8.598 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.063 4.116 9.930 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.892 6.725 8.397 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.225 6.496 10.102 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.898 5.527 10.360 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.587 5.944 8.687 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -20.698 7.736 10.002 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -22.159 8.351 9.255 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -21.895 8.875 11.663 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -23.357 8.104 11.273 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -22.102 7.225 12.006 1.00 2.42 H new ATOM 469 N VAL A 32 -24.493 2.043 7.287 1.00 0.20 N ATOM 470 CA VAL A 32 -24.891 0.637 7.261 1.00 0.22 C ATOM 471 C VAL A 32 -23.846 -0.225 6.558 1.00 0.18 C ATOM 472 O VAL A 32 -23.423 -1.258 7.085 1.00 0.20 O ATOM 473 CB VAL A 32 -26.261 0.442 6.576 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.640 -1.031 6.540 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.334 1.255 7.286 1.00 0.29 C ATOM 0 H VAL A 32 -25.082 2.662 6.731 1.00 0.20 H new ATOM 0 HA VAL A 32 -24.973 0.319 8.300 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.184 0.799 5.549 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.609 -1.146 6.053 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -25.886 -1.587 5.983 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.697 -1.417 7.558 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.293 1.105 6.789 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.409 0.931 8.324 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.070 2.312 7.254 1.00 0.29 H new ATOM 485 N PHE A 33 -23.401 0.217 5.388 1.00 0.16 N ATOM 486 CA PHE A 33 -22.406 -0.529 4.620 1.00 0.15 C ATOM 487 C PHE A 33 -21.059 -0.559 5.339 1.00 0.15 C ATOM 488 O PHE A 33 -20.239 -1.436 5.082 1.00 0.17 O ATOM 489 CB PHE A 33 -22.218 0.067 3.221 1.00 0.17 C ATOM 490 CG PHE A 33 -23.228 -0.372 2.194 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.566 -1.710 2.047 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.815 0.557 1.349 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.472 -2.111 1.081 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.725 0.163 0.383 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.050 -1.173 0.244 1.00 0.29 C ATOM 0 H PHE A 33 -23.711 1.085 4.950 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.781 -1.548 4.524 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.253 1.154 3.299 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.222 -0.195 2.863 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.116 -2.448 2.695 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.559 1.602 1.446 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -24.728 -3.155 0.980 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.181 0.900 -0.262 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.753 -1.484 -0.515 1.00 0.29 H new ATOM 505 N LYS A 34 -20.837 0.383 6.254 1.00 0.16 N ATOM 506 CA LYS A 34 -19.587 0.439 6.990 1.00 0.20 C ATOM 507 C LYS A 34 -19.495 -0.750 7.933 1.00 0.20 C ATOM 508 O LYS A 34 -18.450 -1.387 8.041 1.00 0.22 O ATOM 509 CB LYS A 34 -19.471 1.759 7.774 1.00 0.29 C ATOM 510 CG LYS A 34 -19.480 2.985 6.922 1.00 0.43 C ATOM 511 CD LYS A 34 -18.452 3.946 7.449 1.00 0.38 C ATOM 512 CE LYS A 34 -17.042 3.449 7.183 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.022 4.432 7.629 1.00 1.09 N ATOM 0 H LYS A 34 -21.507 1.112 6.499 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.760 0.397 6.281 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.295 1.819 8.485 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.549 1.742 8.356 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -19.260 2.727 5.886 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -20.468 3.445 6.933 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.590 4.921 6.982 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.595 4.083 8.521 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.886 2.502 7.700 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.919 3.255 6.118 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.071 4.059 7.432 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.156 5.328 7.117 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.124 4.598 8.651 1.00 1.09 H new ATOM 527 N GLN A 35 -20.615 -1.067 8.569 1.00 0.21 N ATOM 528 CA GLN A 35 -20.698 -2.217 9.463 1.00 0.24 C ATOM 529 C GLN A 35 -20.632 -3.498 8.629 1.00 0.21 C ATOM 530 O GLN A 35 -20.007 -4.483 9.017 1.00 0.24 O ATOM 531 CB GLN A 35 -22.010 -2.135 10.300 1.00 0.32 C ATOM 532 CG GLN A 35 -22.285 -3.290 11.287 1.00 0.43 C ATOM 533 CD GLN A 35 -22.772 -4.560 10.608 1.00 1.28 C ATOM 534 OE1 GLN A 35 -23.464 -4.509 9.590 1.00 2.20 O ATOM 535 NE2 GLN A 35 -22.407 -5.703 11.164 1.00 1.82 N ATOM 0 H GLN A 35 -21.484 -0.541 8.482 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.862 -2.221 10.162 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -21.994 -1.203 10.865 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.850 -2.073 9.608 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -21.372 -3.510 11.841 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -23.030 -2.967 12.015 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -21.833 -5.700 12.007 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -22.699 -6.588 10.750 1.00 1.82 H new ATOM 544 N TYR A 36 -21.187 -3.409 7.430 1.00 0.19 N ATOM 545 CA TYR A 36 -21.217 -4.511 6.481 1.00 0.18 C ATOM 546 C TYR A 36 -19.806 -4.867 6.012 1.00 0.17 C ATOM 547 O TYR A 36 -19.403 -6.031 6.040 1.00 0.19 O ATOM 548 CB TYR A 36 -22.102 -4.091 5.306 1.00 0.19 C ATOM 549 CG TYR A 36 -21.974 -4.935 4.063 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.477 -6.228 3.992 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.359 -4.406 2.950 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.365 -6.966 2.824 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.237 -5.125 1.785 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.743 -6.406 1.723 1.00 0.34 C ATOM 555 OH TYR A 36 -21.623 -7.134 0.562 1.00 0.42 O ATOM 0 H TYR A 36 -21.634 -2.560 7.085 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.625 -5.405 6.953 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.142 -4.110 5.632 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -21.868 -3.058 5.048 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -22.960 -6.662 4.855 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -20.963 -3.402 2.994 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -22.760 -7.970 2.774 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.749 -4.690 0.925 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.622 -6.526 -0.207 1.00 0.42 H new ATOM 565 N ALA A 37 -19.057 -3.860 5.584 1.00 0.15 N ATOM 566 CA ALA A 37 -17.689 -4.065 5.128 1.00 0.16 C ATOM 567 C ALA A 37 -16.782 -4.407 6.310 1.00 0.18 C ATOM 568 O ALA A 37 -15.862 -5.216 6.192 1.00 0.22 O ATOM 569 CB ALA A 37 -17.186 -2.821 4.407 1.00 0.17 C ATOM 0 H ALA A 37 -19.374 -2.891 5.543 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.671 -4.901 4.429 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.162 -2.985 4.070 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.823 -2.617 3.546 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.212 -1.970 5.088 1.00 0.17 H new ATOM 575 N ASN A 38 -17.105 -3.816 7.459 1.00 0.20 N ATOM 576 CA ASN A 38 -16.348 -4.006 8.706 1.00 0.26 C ATOM 577 C ASN A 38 -16.259 -5.479 9.087 1.00 0.28 C ATOM 578 O ASN A 38 -15.166 -6.026 9.223 1.00 0.36 O ATOM 579 CB ASN A 38 -16.996 -3.228 9.869 1.00 0.31 C ATOM 580 CG ASN A 38 -16.284 -3.440 11.203 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.315 -2.747 11.514 1.00 1.03 O ATOM 582 ND2 ASN A 38 -16.764 -4.384 12.013 1.00 1.39 N ATOM 0 H ASN A 38 -17.902 -3.188 7.557 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.343 -3.624 8.526 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -16.998 -2.164 9.630 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.037 -3.534 9.967 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.327 -4.549 12.920 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -17.569 -4.941 11.726 1.00 1.39 H new ATOM 589 N ASP A 39 -17.410 -6.120 9.233 1.00 0.30 N ATOM 590 CA ASP A 39 -17.456 -7.517 9.661 1.00 0.38 C ATOM 591 C ASP A 39 -16.909 -8.463 8.598 1.00 0.33 C ATOM 592 O ASP A 39 -16.544 -9.598 8.904 1.00 0.41 O ATOM 593 CB ASP A 39 -18.872 -7.919 10.074 1.00 0.53 C ATOM 594 CG ASP A 39 -19.137 -7.623 11.539 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.411 -8.576 12.304 1.00 1.78 O ATOM 596 OD2 ASP A 39 -19.046 -6.442 11.939 1.00 1.77 O ATOM 0 H ASP A 39 -18.324 -5.699 9.063 1.00 0.30 H new ATOM 0 HA ASP A 39 -16.807 -7.604 10.533 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -19.596 -7.385 9.458 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.017 -8.983 9.886 1.00 0.53 H new ATOM 601 N ASN A 40 -16.821 -7.993 7.356 1.00 0.28 N ATOM 602 CA ASN A 40 -16.255 -8.788 6.283 1.00 0.34 C ATOM 603 C ASN A 40 -14.745 -8.615 6.239 1.00 0.32 C ATOM 604 O ASN A 40 -14.035 -9.394 5.599 1.00 0.46 O ATOM 605 CB ASN A 40 -16.881 -8.393 4.949 1.00 0.42 C ATOM 606 CG ASN A 40 -18.234 -9.037 4.734 1.00 0.92 C ATOM 607 OD1 ASN A 40 -18.473 -10.172 5.152 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.134 -8.309 4.102 1.00 0.78 N ATOM 0 H ASN A 40 -17.136 -7.065 7.073 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.475 -9.839 6.470 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -16.987 -7.309 4.907 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.212 -8.680 4.138 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.070 -8.681 3.943 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -18.894 -7.374 3.773 1.00 0.78 H new ATOM 615 N GLY A 41 -14.264 -7.604 6.951 1.00 0.25 N ATOM 616 CA GLY A 41 -12.842 -7.349 7.023 1.00 0.33 C ATOM 617 C GLY A 41 -12.347 -6.488 5.880 1.00 0.28 C ATOM 618 O GLY A 41 -11.209 -6.631 5.437 1.00 0.37 O ATOM 0 H GLY A 41 -14.840 -6.952 7.483 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.612 -6.858 7.969 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.306 -8.298 7.017 1.00 0.33 H new ATOM 622 N VAL A 42 -13.213 -5.634 5.358 1.00 0.23 N ATOM 623 CA VAL A 42 -12.841 -4.753 4.282 1.00 0.26 C ATOM 624 C VAL A 42 -12.904 -3.304 4.738 1.00 0.36 C ATOM 625 O VAL A 42 -13.973 -2.789 5.067 1.00 0.46 O ATOM 626 CB VAL A 42 -13.756 -4.951 3.064 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.284 -4.085 1.912 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.778 -6.409 2.661 1.00 0.29 C ATOM 0 H VAL A 42 -14.180 -5.538 5.669 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.819 -4.995 3.991 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.770 -4.651 3.329 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.939 -4.233 1.054 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.308 -3.037 2.211 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.265 -4.362 1.642 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.430 -6.538 1.797 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.769 -6.731 2.406 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.152 -7.010 3.490 1.00 0.29 H new ATOM 638 N ASP A 43 -11.757 -2.662 4.775 1.00 0.42 N ATOM 639 CA ASP A 43 -11.690 -1.257 5.155 1.00 0.55 C ATOM 640 C ASP A 43 -10.601 -0.555 4.329 1.00 0.47 C ATOM 641 O ASP A 43 -9.412 -0.629 4.631 1.00 0.68 O ATOM 642 CB ASP A 43 -11.463 -1.081 6.692 1.00 0.80 C ATOM 643 CG ASP A 43 -10.114 -1.568 7.195 1.00 1.29 C ATOM 644 OD1 ASP A 43 -9.932 -2.797 7.342 1.00 1.86 O ATOM 645 OD2 ASP A 43 -9.243 -0.716 7.488 1.00 1.80 O ATOM 0 H ASP A 43 -10.857 -3.084 4.548 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.649 -0.788 4.936 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -11.569 -0.026 6.943 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -12.249 -1.616 7.225 1.00 0.80 H new ATOM 650 N GLY A 44 -11.025 0.098 3.253 1.00 0.43 N ATOM 651 CA GLY A 44 -10.115 0.795 2.374 1.00 0.37 C ATOM 652 C GLY A 44 -10.632 2.177 2.069 1.00 0.34 C ATOM 653 O GLY A 44 -11.481 2.687 2.803 1.00 0.38 O ATOM 0 H GLY A 44 -12.004 0.155 2.973 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.131 0.862 2.838 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -9.992 0.233 1.448 1.00 0.37 H new ATOM 657 N GLU A 45 -10.043 2.822 1.075 1.00 0.34 N ATOM 658 CA GLU A 45 -10.467 4.162 0.682 1.00 0.35 C ATOM 659 C GLU A 45 -11.974 4.180 0.408 1.00 0.29 C ATOM 660 O GLU A 45 -12.504 3.291 -0.259 1.00 0.43 O ATOM 661 CB GLU A 45 -9.690 4.627 -0.559 1.00 0.45 C ATOM 662 CG GLU A 45 -9.929 3.782 -1.800 1.00 1.27 C ATOM 663 CD GLU A 45 -9.119 4.247 -2.991 1.00 2.01 C ATOM 664 OE1 GLU A 45 -9.538 5.218 -3.658 1.00 2.79 O ATOM 665 OE2 GLU A 45 -8.067 3.639 -3.272 1.00 2.57 O ATOM 0 H GLU A 45 -9.272 2.443 0.525 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.253 4.850 1.500 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.963 5.659 -0.778 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -8.624 4.621 -0.329 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -9.680 2.744 -1.580 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -10.989 3.809 -2.054 1.00 1.27 H new ATOM 672 N TRP A 46 -12.660 5.175 0.947 1.00 0.22 N ATOM 673 CA TRP A 46 -14.107 5.279 0.778 1.00 0.24 C ATOM 674 C TRP A 46 -14.457 6.435 -0.149 1.00 0.28 C ATOM 675 O TRP A 46 -14.140 7.589 0.137 1.00 0.41 O ATOM 676 CB TRP A 46 -14.832 5.449 2.132 1.00 0.31 C ATOM 677 CG TRP A 46 -15.235 4.143 2.761 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.397 3.235 3.338 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.571 3.598 2.893 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.109 2.156 3.797 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.440 2.354 3.542 1.00 0.31 C ATOM 682 CE3 TRP A 46 -17.866 4.028 2.530 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.529 1.542 3.826 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -18.945 3.213 2.823 1.00 0.32 C ATOM 685 CH2 TRP A 46 -18.769 1.985 3.463 1.00 0.35 C ATOM 0 H TRP A 46 -12.243 5.921 1.504 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.448 4.346 0.330 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.181 5.989 2.819 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -15.721 6.063 1.986 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.326 3.349 3.422 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -14.710 1.337 4.255 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.012 4.976 2.033 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.400 0.590 4.319 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -19.940 3.532 2.552 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.632 1.372 3.676 1.00 0.35 H new ATOM 696 N THR A 47 -15.092 6.116 -1.265 1.00 0.29 N ATOM 697 CA THR A 47 -15.486 7.121 -2.236 1.00 0.35 C ATOM 698 C THR A 47 -16.978 7.015 -2.548 1.00 0.31 C ATOM 699 O THR A 47 -17.553 5.923 -2.488 1.00 0.28 O ATOM 700 CB THR A 47 -14.676 6.976 -3.539 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.718 5.615 -3.994 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.231 7.405 -3.332 1.00 0.63 C ATOM 0 H THR A 47 -15.347 5.162 -1.521 1.00 0.29 H new ATOM 0 HA THR A 47 -15.281 8.099 -1.801 1.00 0.35 H new ATOM 0 HB THR A 47 -15.124 7.624 -4.292 1.00 0.43 H new ATOM 0 HG1 THR A 47 -14.202 5.531 -4.823 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.681 7.293 -4.266 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.203 8.448 -3.017 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.773 6.782 -2.564 1.00 0.63 H new ATOM 710 N TYR A 48 -17.607 8.142 -2.866 1.00 0.38 N ATOM 711 CA TYR A 48 -19.025 8.153 -3.178 1.00 0.37 C ATOM 712 C TYR A 48 -19.327 9.119 -4.325 1.00 0.42 C ATOM 713 O TYR A 48 -18.794 10.230 -4.371 1.00 0.51 O ATOM 714 CB TYR A 48 -19.842 8.543 -1.937 1.00 0.41 C ATOM 715 CG TYR A 48 -21.309 8.834 -2.210 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.843 10.097 -1.985 1.00 1.14 C ATOM 717 CD2 TYR A 48 -22.162 7.840 -2.689 1.00 1.15 C ATOM 718 CE1 TYR A 48 -23.178 10.364 -2.235 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.495 8.102 -2.941 1.00 1.18 C ATOM 720 CZ TYR A 48 -24.000 9.363 -2.711 1.00 0.61 C ATOM 721 OH TYR A 48 -25.330 9.626 -2.967 1.00 0.70 O ATOM 0 H TYR A 48 -17.155 9.055 -2.913 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.308 7.148 -3.491 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.775 7.737 -1.206 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -19.389 9.424 -1.482 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -21.206 10.884 -1.609 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.774 6.848 -2.866 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.575 11.353 -2.058 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -24.139 7.321 -3.317 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.417 10.518 -3.364 1.00 0.70 H new ATOM 731 N ASP A 49 -20.180 8.701 -5.247 1.00 0.42 N ATOM 732 CA ASP A 49 -20.606 9.588 -6.334 1.00 0.51 C ATOM 733 C ASP A 49 -22.116 9.708 -6.273 1.00 0.53 C ATOM 734 O ASP A 49 -22.806 8.698 -6.130 1.00 0.55 O ATOM 735 CB ASP A 49 -20.174 9.082 -7.718 1.00 0.57 C ATOM 736 CG ASP A 49 -20.232 10.188 -8.747 1.00 1.22 C ATOM 737 OD1 ASP A 49 -19.167 10.728 -9.100 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.343 10.519 -9.205 1.00 1.52 O ATOM 0 H ASP A 49 -20.590 7.767 -5.271 1.00 0.42 H new ATOM 0 HA ASP A 49 -20.125 10.557 -6.198 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -19.160 8.686 -7.663 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.821 8.261 -8.026 1.00 0.57 H new ATOM 743 N ASP A 50 -22.646 10.913 -6.413 1.00 0.68 N ATOM 744 CA ASP A 50 -24.080 11.105 -6.220 1.00 0.76 C ATOM 745 C ASP A 50 -24.841 10.869 -7.517 1.00 0.73 C ATOM 746 O ASP A 50 -26.062 10.753 -7.515 1.00 0.84 O ATOM 747 CB ASP A 50 -24.394 12.503 -5.667 1.00 1.00 C ATOM 748 CG ASP A 50 -25.825 12.612 -5.188 1.00 1.56 C ATOM 749 OD1 ASP A 50 -26.662 13.181 -5.919 1.00 2.28 O ATOM 750 OD2 ASP A 50 -26.123 12.105 -4.084 1.00 2.15 O ATOM 0 H ASP A 50 -22.123 11.755 -6.653 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.408 10.370 -5.485 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -23.717 12.728 -4.843 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -24.212 13.249 -6.441 1.00 1.00 H new ATOM 755 N ALA A 51 -24.122 10.746 -8.625 1.00 0.70 N ATOM 756 CA ALA A 51 -24.770 10.502 -9.908 1.00 0.78 C ATOM 757 C ALA A 51 -25.266 9.064 -10.000 1.00 0.75 C ATOM 758 O ALA A 51 -26.333 8.801 -10.553 1.00 0.91 O ATOM 759 CB ALA A 51 -23.830 10.821 -11.061 1.00 0.91 C ATOM 0 H ALA A 51 -23.105 10.810 -8.663 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.632 11.165 -9.980 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.337 10.631 -12.007 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.536 11.869 -11.011 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.943 10.192 -10.992 1.00 0.91 H new ATOM 765 N THR A 52 -24.502 8.139 -9.436 1.00 0.63 N ATOM 766 CA THR A 52 -24.862 6.732 -9.476 1.00 0.65 C ATOM 767 C THR A 52 -25.287 6.192 -8.107 1.00 0.55 C ATOM 768 O THR A 52 -25.903 5.132 -8.033 1.00 0.62 O ATOM 769 CB THR A 52 -23.683 5.893 -9.994 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.503 6.202 -9.242 1.00 1.06 O ATOM 771 CG2 THR A 52 -23.428 6.153 -11.472 1.00 1.19 C ATOM 0 H THR A 52 -23.630 8.339 -8.946 1.00 0.63 H new ATOM 0 HA THR A 52 -25.714 6.651 -10.151 1.00 0.65 H new ATOM 0 HB THR A 52 -23.936 4.840 -9.871 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.246 5.425 -8.703 1.00 1.06 H new ATOM 0 HG21 THR A 52 -22.588 5.545 -11.809 1.00 1.19 H new ATOM 0 HG22 THR A 52 -24.317 5.893 -12.046 1.00 1.19 H new ATOM 0 HG23 THR A 52 -23.195 7.207 -11.621 1.00 1.19 H new ATOM 779 N LYS A 53 -24.985 6.940 -7.034 1.00 0.47 N ATOM 780 CA LYS A 53 -25.267 6.492 -5.656 1.00 0.46 C ATOM 781 C LYS A 53 -24.433 5.259 -5.321 1.00 0.39 C ATOM 782 O LYS A 53 -24.849 4.396 -4.543 1.00 0.49 O ATOM 783 CB LYS A 53 -26.755 6.179 -5.453 1.00 0.59 C ATOM 784 CG LYS A 53 -27.571 7.345 -4.901 1.00 0.81 C ATOM 785 CD LYS A 53 -27.565 8.554 -5.823 1.00 0.87 C ATOM 786 CE LYS A 53 -28.346 9.707 -5.217 1.00 1.57 C ATOM 787 NZ LYS A 53 -28.382 10.888 -6.120 1.00 2.08 N ATOM 0 H LYS A 53 -24.545 7.859 -7.092 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.999 7.309 -4.986 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.183 5.870 -6.407 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.847 5.332 -4.773 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.599 7.020 -4.741 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.173 7.633 -3.928 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.538 8.866 -6.012 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -27.998 8.283 -6.786 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -29.364 9.383 -5.003 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -27.895 9.991 -4.266 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -28.170 11.748 -5.575 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -27.674 10.771 -6.873 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -29.328 10.972 -6.545 1.00 2.08 H new ATOM 801 N THR A 54 -23.227 5.221 -5.862 1.00 0.34 N ATOM 802 CA THR A 54 -22.342 4.094 -5.655 1.00 0.31 C ATOM 803 C THR A 54 -21.264 4.394 -4.614 1.00 0.28 C ATOM 804 O THR A 54 -20.481 5.338 -4.773 1.00 0.35 O ATOM 805 CB THR A 54 -21.634 3.693 -6.963 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.571 3.672 -8.044 1.00 0.51 O ATOM 807 CG2 THR A 54 -20.986 2.315 -6.829 1.00 0.41 C ATOM 0 H THR A 54 -22.840 5.961 -6.449 1.00 0.34 H new ATOM 0 HA THR A 54 -22.973 3.279 -5.300 1.00 0.31 H new ATOM 0 HB THR A 54 -20.858 4.430 -7.167 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.111 3.418 -8.871 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.492 2.053 -7.765 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.251 2.335 -6.024 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.752 1.573 -6.603 1.00 0.41 H new ATOM 815 N TYR A 55 -21.262 3.623 -3.533 1.00 0.21 N ATOM 816 CA TYR A 55 -20.190 3.689 -2.555 1.00 0.21 C ATOM 817 C TYR A 55 -19.112 2.700 -2.965 1.00 0.21 C ATOM 818 O TYR A 55 -19.402 1.546 -3.298 1.00 0.24 O ATOM 819 CB TYR A 55 -20.668 3.411 -1.112 1.00 0.24 C ATOM 820 CG TYR A 55 -21.290 4.615 -0.443 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.662 4.826 -0.514 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.520 5.534 0.260 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.248 5.913 0.096 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.103 6.628 0.872 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.401 6.845 0.785 1.00 0.56 C ATOM 826 OH TYR A 55 -23.047 7.890 1.401 1.00 0.70 O ATOM 0 H TYR A 55 -21.992 2.945 -3.314 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.798 4.706 -2.544 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.394 2.598 -1.128 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.821 3.071 -0.516 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.279 4.125 -1.057 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.452 5.392 0.329 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.317 6.060 0.057 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.486 7.316 1.430 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.834 7.553 1.877 1.00 0.70 H new ATOM 836 N THR A 56 -17.889 3.178 -3.049 1.00 0.24 N ATOM 837 CA THR A 56 -16.788 2.349 -3.488 1.00 0.29 C ATOM 838 C THR A 56 -15.713 2.253 -2.404 1.00 0.25 C ATOM 839 O THR A 56 -15.158 3.268 -1.978 1.00 0.28 O ATOM 840 CB THR A 56 -16.199 2.916 -4.804 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.270 3.201 -5.720 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.238 1.932 -5.456 1.00 0.74 C ATOM 0 H THR A 56 -17.632 4.138 -2.819 1.00 0.24 H new ATOM 0 HA THR A 56 -17.158 1.341 -3.675 1.00 0.29 H new ATOM 0 HB THR A 56 -15.648 3.825 -4.563 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.901 3.562 -6.553 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.844 2.363 -6.376 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.415 1.721 -4.773 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.766 1.006 -5.686 1.00 0.74 H new ATOM 850 N VAL A 57 -15.472 1.031 -1.926 1.00 0.24 N ATOM 851 CA VAL A 57 -14.469 0.799 -0.892 1.00 0.23 C ATOM 852 C VAL A 57 -13.327 -0.035 -1.473 1.00 0.24 C ATOM 853 O VAL A 57 -13.510 -1.187 -1.872 1.00 0.30 O ATOM 854 CB VAL A 57 -15.059 0.135 0.402 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.628 -1.260 0.151 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.999 0.072 1.485 1.00 0.27 C ATOM 0 H VAL A 57 -15.958 0.190 -2.239 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.089 1.770 -0.575 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.889 0.763 0.727 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -16.021 -1.666 1.083 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.430 -1.199 -0.584 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.840 -1.912 -0.225 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.419 -0.390 2.378 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.154 -0.520 1.133 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.662 1.081 1.723 1.00 0.27 H new ATOM 866 N THR A 58 -12.174 0.593 -1.619 1.00 0.26 N ATOM 867 CA THR A 58 -11.026 -0.045 -2.253 1.00 0.30 C ATOM 868 C THR A 58 -9.919 -0.353 -1.245 1.00 0.32 C ATOM 869 O THR A 58 -9.416 0.548 -0.572 1.00 0.36 O ATOM 870 CB THR A 58 -10.464 0.859 -3.369 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.530 1.256 -4.245 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.382 0.145 -4.171 1.00 0.52 C ATOM 0 H THR A 58 -12.004 1.549 -1.307 1.00 0.26 H new ATOM 0 HA THR A 58 -11.372 -0.987 -2.678 1.00 0.30 H new ATOM 0 HB THR A 58 -10.016 1.737 -2.903 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.174 1.832 -4.954 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.007 0.810 -4.949 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.563 -0.136 -3.508 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.801 -0.751 -4.630 1.00 0.52 H new ATOM 880 N GLU A 59 -9.542 -1.627 -1.161 1.00 0.35 N ATOM 881 CA GLU A 59 -8.465 -2.058 -0.257 1.00 0.42 C ATOM 882 C GLU A 59 -7.126 -1.469 -0.704 1.00 0.53 C ATOM 883 O GLU A 59 -6.934 -1.184 -1.889 1.00 0.75 O ATOM 884 CB GLU A 59 -8.345 -3.596 -0.181 1.00 0.44 C ATOM 885 CG GLU A 59 -9.421 -4.257 0.660 1.00 0.78 C ATOM 886 CD GLU A 59 -9.349 -3.820 2.110 1.00 1.79 C ATOM 887 OE1 GLU A 59 -8.406 -4.237 2.808 1.00 2.34 O ATOM 888 OE2 GLU A 59 -10.249 -3.079 2.554 1.00 2.56 O ATOM 0 H GLU A 59 -9.962 -2.381 -1.704 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.721 -1.690 0.737 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -8.386 -4.004 -1.191 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -7.368 -3.854 0.228 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -10.402 -4.011 0.254 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -9.314 -5.340 0.601 1.00 0.78 H new ATOM 895 N GLY A 60 -6.201 -1.289 0.236 1.00 0.79 N ATOM 896 CA GLY A 60 -4.889 -0.757 -0.097 1.00 0.91 C ATOM 897 C GLY A 60 -3.890 -1.017 1.012 1.00 1.48 C ATOM 898 O GLY A 60 -4.254 -1.052 2.184 1.00 2.32 O ATOM 0 H GLY A 60 -6.337 -1.502 1.224 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -4.534 -1.211 -1.022 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -4.964 0.315 -0.277 1.00 0.91 H new ATOM 902 N SER A 61 -2.637 -1.224 0.648 1.00 1.79 N ATOM 903 CA SER A 61 -1.594 -1.480 1.628 1.00 2.75 C ATOM 904 C SER A 61 -0.251 -0.949 1.147 1.00 2.84 C ATOM 905 O SER A 61 0.276 0.012 1.703 1.00 3.18 O ATOM 906 CB SER A 61 -1.493 -2.972 1.940 1.00 3.69 C ATOM 907 OG SER A 61 -2.681 -3.447 2.555 1.00 4.41 O ATOM 0 H SER A 61 -2.316 -1.220 -0.320 1.00 1.79 H new ATOM 0 HA SER A 61 -1.863 -0.954 2.544 1.00 2.75 H new ATOM 0 HB2 SER A 61 -1.309 -3.527 1.020 1.00 3.69 H new ATOM 0 HB3 SER A 61 -0.642 -3.153 2.597 1.00 3.69 H new ATOM 0 HG SER A 61 -2.592 -4.405 2.743 1.00 4.41 H new ATOM 913 N GLY A 62 0.289 -1.565 0.110 1.00 3.15 N ATOM 914 CA GLY A 62 1.568 -1.147 -0.413 1.00 3.63 C ATOM 915 C GLY A 62 2.239 -2.251 -1.202 1.00 4.11 C ATOM 916 O GLY A 62 1.605 -3.258 -1.527 1.00 4.49 O ATOM 0 H GLY A 62 -0.138 -2.351 -0.380 1.00 3.15 H new ATOM 0 HA2 GLY A 62 1.432 -0.274 -1.052 1.00 3.63 H new ATOM 0 HA3 GLY A 62 2.215 -0.842 0.409 1.00 3.63 H new ATOM 920 N GLY A 63 3.517 -2.067 -1.506 1.00 4.57 N ATOM 921 CA GLY A 63 4.247 -3.058 -2.267 1.00 5.36 C ATOM 922 C GLY A 63 5.568 -3.422 -1.621 1.00 5.56 C ATOM 923 O GLY A 63 5.952 -4.592 -1.608 1.00 6.24 O ATOM 0 H GLY A 63 4.061 -1.247 -1.238 1.00 4.57 H new ATOM 0 HA2 GLY A 63 3.637 -3.955 -2.371 1.00 5.36 H new ATOM 0 HA3 GLY A 63 4.429 -2.679 -3.272 1.00 5.36 H new ATOM 927 N ALA A 64 6.262 -2.410 -1.095 1.00 5.28 N ATOM 928 CA ALA A 64 7.549 -2.600 -0.420 1.00 5.82 C ATOM 929 C ALA A 64 8.577 -3.271 -1.333 1.00 6.16 C ATOM 930 O ALA A 64 9.494 -3.945 -0.861 1.00 6.23 O ATOM 931 CB ALA A 64 7.356 -3.408 0.856 1.00 6.29 C ATOM 0 H ALA A 64 5.950 -1.439 -1.124 1.00 5.28 H new ATOM 0 HA ALA A 64 7.939 -1.615 -0.163 1.00 5.82 H new ATOM 0 HB1 ALA A 64 8.318 -3.544 1.350 1.00 6.29 H new ATOM 0 HB2 ALA A 64 6.677 -2.877 1.523 1.00 6.29 H new ATOM 0 HB3 ALA A 64 6.934 -4.382 0.609 1.00 6.29 H new ATOM 937 N GLY A 65 8.467 -3.014 -2.630 1.00 6.75 N ATOM 938 CA GLY A 65 9.377 -3.613 -3.587 1.00 7.43 C ATOM 939 C GLY A 65 10.613 -2.771 -3.827 1.00 8.04 C ATOM 940 O GLY A 65 10.617 -1.571 -3.557 1.00 8.41 O ATOM 0 H GLY A 65 7.762 -2.400 -3.037 1.00 6.75 H new ATOM 0 HA2 GLY A 65 9.677 -4.598 -3.229 1.00 7.43 H new ATOM 0 HA3 GLY A 65 8.856 -3.763 -4.532 1.00 7.43 H new ATOM 944 N GLY A 66 11.663 -3.398 -4.342 1.00 8.36 N ATOM 945 CA GLY A 66 12.892 -2.678 -4.620 1.00 9.12 C ATOM 946 C GLY A 66 13.157 -2.544 -6.106 1.00 9.70 C ATOM 947 O GLY A 66 14.249 -2.151 -6.516 1.00 10.44 O ATOM 0 H GLY A 66 11.686 -4.391 -4.572 1.00 8.36 H new ATOM 0 HA2 GLY A 66 12.838 -1.686 -4.172 1.00 9.12 H new ATOM 0 HA3 GLY A 66 13.728 -3.196 -4.149 1.00 9.12 H new ATOM 951 N GLN A 67 12.165 -2.940 -6.901 1.00 9.54 N ATOM 952 CA GLN A 67 12.238 -2.876 -8.359 1.00 10.26 C ATOM 953 C GLN A 67 13.309 -3.836 -8.903 1.00 10.54 C ATOM 954 O GLN A 67 13.796 -3.671 -10.019 1.00 10.70 O ATOM 955 CB GLN A 67 12.497 -1.430 -8.826 1.00 10.71 C ATOM 956 CG GLN A 67 12.224 -1.211 -10.304 1.00 11.09 C ATOM 957 CD GLN A 67 12.457 0.226 -10.730 1.00 11.64 C ATOM 958 OE1 GLN A 67 12.287 1.152 -9.943 1.00 11.68 O ATOM 959 NE2 GLN A 67 12.851 0.421 -11.978 1.00 12.25 N ATOM 0 H GLN A 67 11.284 -3.316 -6.550 1.00 9.54 H new ATOM 0 HA GLN A 67 11.277 -3.195 -8.762 1.00 10.26 H new ATOM 0 HB2 GLN A 67 11.872 -0.752 -8.245 1.00 10.71 H new ATOM 0 HB3 GLN A 67 13.534 -1.169 -8.614 1.00 10.71 H new ATOM 0 HG2 GLN A 67 12.865 -1.869 -10.890 1.00 11.09 H new ATOM 0 HG3 GLN A 67 11.194 -1.490 -10.525 1.00 11.09 H new ATOM 0 HE21 GLN A 67 12.981 -0.375 -12.602 1.00 12.25 H new ATOM 0 HE22 GLN A 67 13.025 1.368 -12.316 1.00 12.25 H new ATOM 968 N GLY A 68 13.628 -4.876 -8.138 1.00 10.79 N ATOM 969 CA GLY A 68 14.604 -5.850 -8.589 1.00 11.26 C ATOM 970 C GLY A 68 15.574 -6.262 -7.500 1.00 11.69 C ATOM 971 O GLY A 68 15.611 -5.659 -6.426 1.00 11.72 O ATOM 0 H GLY A 68 13.229 -5.061 -7.217 1.00 10.79 H new ATOM 0 HA2 GLY A 68 14.084 -6.734 -8.958 1.00 11.26 H new ATOM 0 HA3 GLY A 68 15.163 -5.435 -9.428 1.00 11.26 H new ATOM 975 N MET A 69 16.361 -7.293 -7.778 1.00 12.22 N ATOM 976 CA MET A 69 17.351 -7.785 -6.828 1.00 12.82 C ATOM 977 C MET A 69 18.743 -7.299 -7.230 1.00 13.10 C ATOM 978 O MET A 69 19.698 -8.072 -7.301 1.00 13.24 O ATOM 979 CB MET A 69 17.312 -9.322 -6.742 1.00 13.26 C ATOM 980 CG MET A 69 17.704 -10.048 -8.032 1.00 13.52 C ATOM 981 SD MET A 69 16.561 -9.753 -9.400 1.00 14.03 S ATOM 982 CE MET A 69 17.344 -10.705 -10.701 1.00 14.29 C ATOM 0 H MET A 69 16.333 -7.807 -8.658 1.00 12.22 H new ATOM 0 HA MET A 69 17.114 -7.391 -5.840 1.00 12.82 H new ATOM 0 HB2 MET A 69 17.980 -9.644 -5.943 1.00 13.26 H new ATOM 0 HB3 MET A 69 16.305 -9.631 -6.460 1.00 13.26 H new ATOM 0 HG2 MET A 69 18.704 -9.730 -8.329 1.00 13.52 H new ATOM 0 HG3 MET A 69 17.755 -11.119 -7.836 1.00 13.52 H new ATOM 0 HE1 MET A 69 16.756 -10.624 -11.615 1.00 14.29 H new ATOM 0 HE2 MET A 69 18.348 -10.320 -10.880 1.00 14.29 H new ATOM 0 HE3 MET A 69 17.405 -11.751 -10.400 1.00 14.29 H new ATOM 992 N ILE A 70 18.869 -5.986 -7.378 1.00 13.36 N ATOM 993 CA ILE A 70 20.126 -5.391 -7.824 1.00 13.79 C ATOM 994 C ILE A 70 20.850 -4.800 -6.623 1.00 14.28 C ATOM 995 O ILE A 70 20.737 -3.607 -6.335 1.00 14.51 O ATOM 996 CB ILE A 70 19.928 -4.288 -8.911 1.00 13.60 C ATOM 997 CG1 ILE A 70 19.071 -4.829 -10.060 1.00 13.34 C ATOM 998 CG2 ILE A 70 21.281 -3.798 -9.455 1.00 14.13 C ATOM 999 CD1 ILE A 70 18.731 -3.794 -11.118 1.00 13.69 C ATOM 0 H ILE A 70 18.122 -5.315 -7.197 1.00 13.36 H new ATOM 0 HA ILE A 70 20.716 -6.184 -8.283 1.00 13.79 H new ATOM 0 HB ILE A 70 19.419 -3.443 -8.447 1.00 13.60 H new ATOM 0 HG12 ILE A 70 19.598 -5.658 -10.533 1.00 13.34 H new ATOM 0 HG13 ILE A 70 18.145 -5.232 -9.650 1.00 13.34 H new ATOM 0 HG21 ILE A 70 21.113 -3.030 -10.210 1.00 14.13 H new ATOM 0 HG22 ILE A 70 21.872 -3.381 -8.639 1.00 14.13 H new ATOM 0 HG23 ILE A 70 21.818 -4.635 -9.901 1.00 14.13 H new ATOM 0 HD11 ILE A 70 18.123 -4.255 -11.896 1.00 13.69 H new ATOM 0 HD12 ILE A 70 18.175 -2.975 -10.661 1.00 13.69 H new ATOM 0 HD13 ILE A 70 19.650 -3.407 -11.558 1.00 13.69 H new ATOM 1011 N GLN A 71 21.469 -5.668 -5.843 1.00 14.61 N ATOM 1012 CA GLN A 71 22.158 -5.253 -4.634 1.00 15.25 C ATOM 1013 C GLN A 71 23.664 -5.344 -4.834 1.00 16.12 C ATOM 1014 O GLN A 71 24.448 -5.218 -3.896 1.00 16.80 O ATOM 1015 CB GLN A 71 21.694 -6.120 -3.465 1.00 15.18 C ATOM 1016 CG GLN A 71 22.252 -7.532 -3.474 1.00 15.42 C ATOM 1017 CD GLN A 71 21.584 -8.409 -2.445 1.00 15.46 C ATOM 1018 OE1 GLN A 71 21.109 -7.935 -1.412 1.00 15.61 O ATOM 1019 NE2 GLN A 71 21.549 -9.694 -2.712 1.00 15.48 N ATOM 0 H GLN A 71 21.509 -6.671 -6.027 1.00 14.61 H new ATOM 0 HA GLN A 71 21.918 -4.214 -4.408 1.00 15.25 H new ATOM 0 HB2 GLN A 71 21.980 -5.635 -2.532 1.00 15.18 H new ATOM 0 HB3 GLN A 71 20.605 -6.172 -3.476 1.00 15.18 H new ATOM 0 HG2 GLN A 71 22.119 -7.968 -4.464 1.00 15.42 H new ATOM 0 HG3 GLN A 71 23.324 -7.499 -3.282 1.00 15.42 H new ATOM 0 HE21 GLN A 71 21.954 -10.046 -3.579 1.00 15.48 H new ATOM 0 HE22 GLN A 71 21.117 -10.340 -2.052 1.00 15.48 H new ATOM 1028 N GLU A 72 24.052 -5.530 -6.084 1.00 16.21 N ATOM 1029 CA GLU A 72 25.456 -5.627 -6.460 1.00 17.08 C ATOM 1030 C GLU A 72 25.983 -4.257 -6.869 1.00 17.64 C ATOM 1031 O GLU A 72 25.237 -3.436 -7.412 1.00 17.36 O ATOM 1032 CB GLU A 72 25.629 -6.616 -7.621 1.00 17.12 C ATOM 1033 CG GLU A 72 25.254 -8.048 -7.272 1.00 16.82 C ATOM 1034 CD GLU A 72 25.222 -8.957 -8.485 1.00 16.87 C ATOM 1035 OE1 GLU A 72 24.143 -9.496 -8.813 1.00 16.46 O ATOM 1036 OE2 GLU A 72 26.286 -9.144 -9.114 1.00 17.42 O ATOM 0 H GLU A 72 23.405 -5.618 -6.868 1.00 16.21 H new ATOM 0 HA GLU A 72 26.022 -5.987 -5.601 1.00 17.08 H new ATOM 0 HB2 GLU A 72 25.018 -6.285 -8.461 1.00 17.12 H new ATOM 0 HB3 GLU A 72 26.667 -6.593 -7.953 1.00 17.12 H new ATOM 0 HG2 GLU A 72 25.968 -8.440 -6.548 1.00 16.82 H new ATOM 0 HG3 GLU A 72 24.276 -8.056 -6.791 1.00 16.82 H new ATOM 1043 N PRO A 73 27.267 -3.983 -6.605 1.00 18.53 N ATOM 1044 CA PRO A 73 27.885 -2.711 -6.970 1.00 19.22 C ATOM 1045 C PRO A 73 28.079 -2.585 -8.470 1.00 19.49 C ATOM 1046 O PRO A 73 27.881 -3.547 -9.217 1.00 19.26 O ATOM 1047 CB PRO A 73 29.247 -2.754 -6.283 1.00 20.10 C ATOM 1048 CG PRO A 73 29.546 -4.209 -6.157 1.00 20.05 C ATOM 1049 CD PRO A 73 28.218 -4.885 -5.935 1.00 19.04 C ATOM 0 HA PRO A 73 27.266 -1.865 -6.671 1.00 19.22 H new ATOM 0 HB2 PRO A 73 30.007 -2.241 -6.872 1.00 20.10 H new ATOM 0 HB3 PRO A 73 29.217 -2.267 -5.308 1.00 20.10 H new ATOM 0 HG2 PRO A 73 30.032 -4.587 -7.057 1.00 20.05 H new ATOM 0 HG3 PRO A 73 30.224 -4.398 -5.325 1.00 20.05 H new ATOM 0 HD2 PRO A 73 28.198 -5.885 -6.368 1.00 19.04 H new ATOM 0 HD3 PRO A 73 27.993 -4.992 -4.874 1.00 19.04 H new ATOM 1057 N ALA A 74 28.528 -1.419 -8.899 1.00 20.11 N ATOM 1058 CA ALA A 74 28.760 -1.175 -10.309 1.00 20.56 C ATOM 1059 C ALA A 74 29.711 -0.006 -10.510 1.00 20.94 C ATOM 1060 O ALA A 74 30.021 0.724 -9.566 1.00 20.85 O ATOM 1061 CB ALA A 74 27.444 -0.921 -11.034 1.00 20.34 C ATOM 0 H ALA A 74 28.739 -0.628 -8.291 1.00 20.11 H new ATOM 0 HA ALA A 74 29.223 -2.066 -10.733 1.00 20.56 H new ATOM 0 HB1 ALA A 74 27.640 -0.740 -12.091 1.00 20.34 H new ATOM 0 HB2 ALA A 74 26.797 -1.792 -10.929 1.00 20.34 H new ATOM 0 HB3 ALA A 74 26.953 -0.049 -10.602 1.00 20.34 H new ATOM 1067 N LEU A 75 30.188 0.152 -11.737 1.00 21.47 N ATOM 1068 CA LEU A 75 31.082 1.248 -12.079 1.00 21.98 C ATOM 1069 C LEU A 75 30.291 2.550 -12.162 1.00 22.04 C ATOM 1070 O LEU A 75 29.109 2.526 -12.511 1.00 21.90 O ATOM 1071 CB LEU A 75 31.786 0.968 -13.417 1.00 22.62 C ATOM 1072 CG LEU A 75 33.043 0.097 -13.356 1.00 22.85 C ATOM 1073 CD1 LEU A 75 34.092 0.756 -12.472 1.00 22.94 C ATOM 1074 CD2 LEU A 75 32.713 -1.310 -12.873 1.00 22.46 C ATOM 0 H LEU A 75 29.969 -0.469 -12.516 1.00 21.47 H new ATOM 0 HA LEU A 75 31.842 1.340 -11.303 1.00 21.98 H new ATOM 0 HB2 LEU A 75 31.071 0.489 -14.086 1.00 22.62 H new ATOM 0 HB3 LEU A 75 32.054 1.923 -13.868 1.00 22.62 H new ATOM 0 HG LEU A 75 33.452 0.005 -14.362 1.00 22.85 H new ATOM 0 HD11 LEU A 75 34.983 0.129 -12.435 1.00 22.94 H new ATOM 0 HD12 LEU A 75 34.352 1.732 -12.882 1.00 22.94 H new ATOM 0 HD13 LEU A 75 33.693 0.880 -11.465 1.00 22.94 H new ATOM 0 HD21 LEU A 75 33.625 -1.906 -12.840 1.00 22.46 H new ATOM 0 HD22 LEU A 75 32.276 -1.259 -11.876 1.00 22.46 H new ATOM 0 HD23 LEU A 75 32.002 -1.772 -13.558 1.00 22.46 H new ATOM 1086 N PRO A 76 30.895 3.700 -11.796 1.00 22.33 N ATOM 1087 CA PRO A 76 30.210 4.995 -11.873 1.00 22.55 C ATOM 1088 C PRO A 76 29.995 5.415 -13.324 1.00 23.16 C ATOM 1089 O PRO A 76 30.784 5.053 -14.197 1.00 23.54 O ATOM 1090 CB PRO A 76 31.180 5.978 -11.174 1.00 22.90 C ATOM 1091 CG PRO A 76 32.157 5.107 -10.457 1.00 22.69 C ATOM 1092 CD PRO A 76 32.274 3.860 -11.307 1.00 22.58 C ATOM 0 HA PRO A 76 29.224 4.966 -11.410 1.00 22.55 H new ATOM 0 HB2 PRO A 76 31.681 6.621 -11.898 1.00 22.90 H new ATOM 0 HB3 PRO A 76 30.650 6.631 -10.481 1.00 22.90 H new ATOM 0 HG2 PRO A 76 33.122 5.603 -10.350 1.00 22.69 H new ATOM 0 HG3 PRO A 76 31.808 4.868 -9.452 1.00 22.69 H new ATOM 0 HD2 PRO A 76 32.985 3.986 -12.123 1.00 22.58 H new ATOM 0 HD3 PRO A 76 32.605 2.999 -10.727 1.00 22.58 H new ATOM 1100 N PRO A 77 28.902 6.135 -13.607 1.00 23.33 N ATOM 1101 CA PRO A 77 28.605 6.634 -14.957 1.00 24.01 C ATOM 1102 C PRO A 77 29.818 7.294 -15.603 1.00 24.77 C ATOM 1103 O PRO A 77 30.424 8.204 -15.033 1.00 25.03 O ATOM 1104 CB PRO A 77 27.504 7.660 -14.692 1.00 24.14 C ATOM 1105 CG PRO A 77 26.776 7.066 -13.546 1.00 23.57 C ATOM 1106 CD PRO A 77 27.850 6.513 -12.643 1.00 23.01 C ATOM 0 HA PRO A 77 28.318 5.842 -15.649 1.00 24.01 H new ATOM 0 HB2 PRO A 77 27.914 8.640 -14.448 1.00 24.14 H new ATOM 0 HB3 PRO A 77 26.856 7.792 -15.559 1.00 24.14 H new ATOM 0 HG2 PRO A 77 26.174 7.814 -13.030 1.00 23.57 H new ATOM 0 HG3 PRO A 77 26.095 6.281 -13.875 1.00 23.57 H new ATOM 0 HD2 PRO A 77 28.202 7.255 -11.926 1.00 23.01 H new ATOM 0 HD3 PRO A 77 27.498 5.657 -12.068 1.00 23.01 H new ATOM 1114 N GLY A 78 30.171 6.818 -16.784 1.00 25.21 N ATOM 1115 CA GLY A 78 31.350 7.330 -17.469 1.00 26.01 C ATOM 1116 C GLY A 78 32.577 6.443 -17.287 1.00 25.92 C ATOM 1117 O GLY A 78 33.482 6.450 -18.130 1.00 26.59 O ATOM 0 H GLY A 78 29.667 6.087 -17.286 1.00 25.21 H new ATOM 0 HA2 GLY A 78 31.132 7.426 -18.533 1.00 26.01 H new ATOM 0 HA3 GLY A 78 31.573 8.330 -17.098 1.00 26.01 H new ATOM 1121 N TRP A 79 32.627 5.695 -16.187 1.00 25.19 N ATOM 1122 CA TRP A 79 33.749 4.788 -15.931 1.00 25.16 C ATOM 1123 C TRP A 79 33.448 3.389 -16.485 1.00 24.97 C ATOM 1124 O TRP A 79 32.298 2.945 -16.467 1.00 24.43 O ATOM 1125 CB TRP A 79 34.049 4.704 -14.425 1.00 24.58 C ATOM 1126 CG TRP A 79 34.616 5.969 -13.854 1.00 24.92 C ATOM 1127 CD1 TRP A 79 33.920 7.071 -13.442 1.00 24.92 C ATOM 1128 CD2 TRP A 79 35.997 6.257 -13.622 1.00 25.44 C ATOM 1129 NE1 TRP A 79 34.788 8.033 -12.985 1.00 25.41 N ATOM 1130 CE2 TRP A 79 36.069 7.557 -13.082 1.00 25.73 C ATOM 1131 CE3 TRP A 79 37.185 5.545 -13.825 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 37.281 8.152 -12.740 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 38.383 6.137 -13.483 1.00 26.34 C ATOM 1134 CH2 TRP A 79 38.425 7.430 -12.949 1.00 26.61 C ATOM 0 H TRP A 79 31.910 5.697 -15.462 1.00 25.19 H new ATOM 0 HA TRP A 79 34.627 5.186 -16.439 1.00 25.16 H new ATOM 0 HB2 TRP A 79 33.130 4.455 -13.893 1.00 24.58 H new ATOM 0 HB3 TRP A 79 34.751 3.889 -14.248 1.00 24.58 H new ATOM 0 HD1 TRP A 79 32.845 7.171 -13.471 1.00 24.92 H new ATOM 0 HE1 TRP A 79 34.522 8.952 -12.631 1.00 25.41 H new ATOM 0 HE3 TRP A 79 37.164 4.549 -14.242 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 37.317 9.148 -12.324 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 39.305 5.593 -13.630 1.00 26.34 H new ATOM 0 HH2 TRP A 79 39.380 7.867 -12.697 1.00 26.61 H new ATOM 1145 N GLU A 80 34.469 2.728 -17.028 1.00 25.51 N ATOM 1146 CA GLU A 80 34.332 1.381 -17.562 1.00 25.50 C ATOM 1147 C GLU A 80 35.425 0.494 -16.958 1.00 25.52 C ATOM 1148 O GLU A 80 36.437 1.005 -16.478 1.00 25.91 O ATOM 1149 CB GLU A 80 34.446 1.425 -19.095 1.00 26.28 C ATOM 1150 CG GLU A 80 34.283 0.074 -19.771 1.00 26.33 C ATOM 1151 CD GLU A 80 32.951 -0.576 -19.473 1.00 26.69 C ATOM 1152 OE1 GLU A 80 32.841 -1.259 -18.433 1.00 26.95 O ATOM 1153 OE2 GLU A 80 32.009 -0.398 -20.271 1.00 26.80 O ATOM 0 H GLU A 80 35.410 3.113 -17.108 1.00 25.51 H new ATOM 0 HA GLU A 80 33.358 0.967 -17.302 1.00 25.50 H new ATOM 0 HB2 GLU A 80 33.691 2.107 -19.485 1.00 26.28 H new ATOM 0 HB3 GLU A 80 35.418 1.838 -19.364 1.00 26.28 H new ATOM 0 HG2 GLU A 80 34.388 0.198 -20.849 1.00 26.33 H new ATOM 0 HG3 GLU A 80 35.086 -0.588 -19.446 1.00 26.33 H new ATOM 1160 N MET A 81 35.203 -0.814 -16.932 1.00 25.18 N ATOM 1161 CA MET A 81 36.178 -1.738 -16.361 1.00 25.27 C ATOM 1162 C MET A 81 36.302 -2.988 -17.242 1.00 25.77 C ATOM 1163 O MET A 81 35.320 -3.704 -17.450 1.00 25.60 O ATOM 1164 CB MET A 81 35.761 -2.110 -14.928 1.00 24.50 C ATOM 1165 CG MET A 81 36.756 -2.992 -14.183 1.00 24.68 C ATOM 1166 SD MET A 81 36.605 -4.749 -14.594 1.00 24.52 S ATOM 1167 CE MET A 81 34.917 -5.069 -14.097 1.00 24.27 C ATOM 0 H MET A 81 34.361 -1.259 -17.297 1.00 25.18 H new ATOM 0 HA MET A 81 37.155 -1.256 -16.323 1.00 25.27 H new ATOM 0 HB2 MET A 81 35.612 -1.193 -14.358 1.00 24.50 H new ATOM 0 HB3 MET A 81 34.800 -2.622 -14.965 1.00 24.50 H new ATOM 0 HG2 MET A 81 37.768 -2.658 -14.411 1.00 24.68 H new ATOM 0 HG3 MET A 81 36.612 -2.863 -13.110 1.00 24.68 H new ATOM 0 HE1 MET A 81 34.865 -6.028 -13.582 1.00 24.27 H new ATOM 0 HE2 MET A 81 34.579 -4.279 -13.427 1.00 24.27 H new ATOM 0 HE3 MET A 81 34.277 -5.095 -14.979 1.00 24.27 H new ATOM 1177 N LYS A 82 37.508 -3.261 -17.751 1.00 26.46 N ATOM 1178 CA LYS A 82 37.718 -4.401 -18.646 1.00 27.08 C ATOM 1179 C LYS A 82 39.073 -5.065 -18.338 1.00 27.55 C ATOM 1180 O LYS A 82 39.910 -4.477 -17.649 1.00 27.58 O ATOM 1181 CB LYS A 82 37.642 -3.950 -20.129 1.00 27.79 C ATOM 1182 CG LYS A 82 36.457 -3.037 -20.447 1.00 27.45 C ATOM 1183 CD LYS A 82 36.358 -2.735 -21.935 1.00 28.23 C ATOM 1184 CE LYS A 82 37.572 -1.974 -22.444 1.00 28.14 C ATOM 1185 NZ LYS A 82 37.491 -1.713 -23.905 1.00 28.22 N ATOM 0 H LYS A 82 38.346 -2.713 -17.560 1.00 26.46 H new ATOM 0 HA LYS A 82 36.928 -5.134 -18.480 1.00 27.08 H new ATOM 0 HB2 LYS A 82 38.565 -3.431 -20.387 1.00 27.79 H new ATOM 0 HB3 LYS A 82 37.585 -4.834 -20.764 1.00 27.79 H new ATOM 0 HG2 LYS A 82 35.534 -3.509 -20.110 1.00 27.45 H new ATOM 0 HG3 LYS A 82 36.559 -2.104 -19.893 1.00 27.45 H new ATOM 0 HD2 LYS A 82 36.257 -3.669 -22.488 1.00 28.23 H new ATOM 0 HD3 LYS A 82 35.458 -2.152 -22.127 1.00 28.23 H new ATOM 0 HE2 LYS A 82 37.657 -1.027 -21.910 1.00 28.14 H new ATOM 0 HE3 LYS A 82 38.475 -2.544 -22.227 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 38.337 -1.192 -24.212 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 37.436 -2.617 -24.417 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 36.643 -1.147 -24.110 1.00 28.22 H new ATOM 1199 N TYR A 83 39.272 -6.296 -18.809 1.00 27.96 N ATOM 1200 CA TYR A 83 40.516 -7.036 -18.555 1.00 28.50 C ATOM 1201 C TYR A 83 41.373 -7.128 -19.815 1.00 29.50 C ATOM 1202 O TYR A 83 40.869 -6.976 -20.931 1.00 29.77 O ATOM 1203 CB TYR A 83 40.216 -8.460 -18.051 1.00 28.32 C ATOM 1204 CG TYR A 83 39.735 -8.541 -16.612 1.00 27.47 C ATOM 1205 CD1 TYR A 83 40.511 -9.130 -15.615 1.00 27.19 C ATOM 1206 CD2 TYR A 83 38.507 -8.006 -16.255 1.00 27.03 C ATOM 1207 CE1 TYR A 83 40.070 -9.177 -14.306 1.00 26.48 C ATOM 1208 CE2 TYR A 83 38.061 -8.052 -14.951 1.00 26.32 C ATOM 1209 CZ TYR A 83 38.870 -8.738 -13.978 1.00 26.04 C ATOM 1210 OH TYR A 83 38.400 -8.682 -12.678 1.00 25.39 O ATOM 0 H TYR A 83 38.589 -6.806 -19.370 1.00 27.96 H new ATOM 0 HA TYR A 83 41.064 -6.487 -17.789 1.00 28.50 H new ATOM 0 HB2 TYR A 83 39.460 -8.907 -18.697 1.00 28.32 H new ATOM 0 HB3 TYR A 83 41.118 -9.063 -18.152 1.00 28.32 H new ATOM 0 HD1 TYR A 83 41.471 -9.556 -15.869 1.00 27.19 H new ATOM 0 HD2 TYR A 83 37.889 -7.545 -17.011 1.00 27.03 H new ATOM 0 HE1 TYR A 83 40.717 -9.579 -13.541 1.00 26.48 H new ATOM 0 HE2 TYR A 83 37.129 -7.586 -14.667 1.00 26.32 H new ATOM 0 HH TYR A 83 37.488 -8.323 -12.675 1.00 25.39 H new ATOM 1220 N THR A 84 42.671 -7.366 -19.624 1.00 30.09 N ATOM 1221 CA THR A 84 43.596 -7.548 -20.738 1.00 31.09 C ATOM 1222 C THR A 84 43.594 -9.018 -21.176 1.00 31.47 C ATOM 1223 O THR A 84 42.684 -9.774 -20.827 1.00 30.98 O ATOM 1224 CB THR A 84 45.037 -7.122 -20.360 1.00 31.69 C ATOM 1225 OG1 THR A 84 45.574 -8.006 -19.363 1.00 31.75 O ATOM 1226 CG2 THR A 84 45.080 -5.696 -19.831 1.00 31.35 C ATOM 0 H THR A 84 43.105 -7.437 -18.704 1.00 30.09 H new ATOM 0 HA THR A 84 43.261 -6.913 -21.558 1.00 31.09 H new ATOM 0 HB THR A 84 45.638 -7.175 -21.268 1.00 31.69 H new ATOM 0 HG1 THR A 84 46.531 -7.829 -19.250 1.00 31.75 H new ATOM 0 HG21 THR A 84 46.107 -5.433 -19.577 1.00 31.35 H new ATOM 0 HG22 THR A 84 44.709 -5.013 -20.595 1.00 31.35 H new ATOM 0 HG23 THR A 84 44.455 -5.619 -18.942 1.00 31.35 H new ATOM 1234 N SER A 85 44.627 -9.435 -21.903 1.00 32.40 N ATOM 1235 CA SER A 85 44.706 -10.800 -22.412 1.00 32.91 C ATOM 1236 C SER A 85 45.308 -11.773 -21.388 1.00 33.07 C ATOM 1237 O SER A 85 45.344 -12.982 -21.626 1.00 33.44 O ATOM 1238 CB SER A 85 45.537 -10.808 -23.696 1.00 33.91 C ATOM 1239 OG SER A 85 46.731 -10.051 -23.534 1.00 34.32 O ATOM 0 H SER A 85 45.421 -8.846 -22.153 1.00 32.40 H new ATOM 0 HA SER A 85 43.691 -11.142 -22.615 1.00 32.91 H new ATOM 0 HB2 SER A 85 45.786 -11.834 -23.966 1.00 33.91 H new ATOM 0 HB3 SER A 85 44.949 -10.396 -24.517 1.00 33.91 H new ATOM 0 HG SER A 85 47.247 -10.072 -24.367 1.00 34.32 H new ATOM 1245 N GLU A 86 45.757 -11.261 -20.247 1.00 32.82 N ATOM 1246 CA GLU A 86 46.397 -12.115 -19.239 1.00 33.03 C ATOM 1247 C GLU A 86 45.652 -12.063 -17.909 1.00 32.13 C ATOM 1248 O GLU A 86 46.161 -12.509 -16.882 1.00 32.23 O ATOM 1249 CB GLU A 86 47.861 -11.704 -19.052 1.00 33.61 C ATOM 1250 CG GLU A 86 48.710 -11.936 -20.292 1.00 34.45 C ATOM 1251 CD GLU A 86 50.179 -11.658 -20.058 1.00 34.93 C ATOM 1252 OE1 GLU A 86 50.914 -12.604 -19.709 1.00 34.87 O ATOM 1253 OE2 GLU A 86 50.608 -10.498 -20.239 1.00 35.43 O ATOM 0 H GLU A 86 45.694 -10.275 -19.994 1.00 32.82 H new ATOM 0 HA GLU A 86 46.361 -13.144 -19.597 1.00 33.03 H new ATOM 0 HB2 GLU A 86 47.904 -10.649 -18.782 1.00 33.61 H new ATOM 0 HB3 GLU A 86 48.285 -12.264 -18.219 1.00 33.61 H new ATOM 0 HG2 GLU A 86 48.588 -12.968 -20.622 1.00 34.45 H new ATOM 0 HG3 GLU A 86 48.348 -11.298 -21.099 1.00 34.45 H new ATOM 1260 N GLY A 87 44.437 -11.526 -17.939 1.00 31.30 N ATOM 1261 CA GLY A 87 43.616 -11.480 -16.742 1.00 30.42 C ATOM 1262 C GLY A 87 43.882 -10.270 -15.868 1.00 30.02 C ATOM 1263 O GLY A 87 43.477 -10.246 -14.706 1.00 29.44 O ATOM 0 H GLY A 87 44.006 -11.122 -18.770 1.00 31.30 H new ATOM 0 HA2 GLY A 87 42.565 -11.484 -17.032 1.00 30.42 H new ATOM 0 HA3 GLY A 87 43.789 -12.384 -16.158 1.00 30.42 H new ATOM 1267 N VAL A 88 44.556 -9.266 -16.412 1.00 30.40 N ATOM 1268 CA VAL A 88 44.825 -8.049 -15.656 1.00 30.17 C ATOM 1269 C VAL A 88 43.720 -7.026 -15.906 1.00 29.38 C ATOM 1270 O VAL A 88 43.371 -6.740 -17.051 1.00 29.40 O ATOM 1271 CB VAL A 88 46.202 -7.443 -16.004 1.00 31.05 C ATOM 1272 CG1 VAL A 88 46.452 -6.168 -15.210 1.00 30.89 C ATOM 1273 CG2 VAL A 88 47.311 -8.455 -15.747 1.00 31.86 C ATOM 0 H VAL A 88 44.923 -9.268 -17.364 1.00 30.40 H new ATOM 0 HA VAL A 88 44.844 -8.314 -14.599 1.00 30.17 H new ATOM 0 HB VAL A 88 46.201 -7.189 -17.064 1.00 31.05 H new ATOM 0 HG11 VAL A 88 47.428 -5.761 -15.473 1.00 30.89 H new ATOM 0 HG12 VAL A 88 45.679 -5.436 -15.444 1.00 30.89 H new ATOM 0 HG13 VAL A 88 46.428 -6.393 -14.144 1.00 30.89 H new ATOM 0 HG21 VAL A 88 48.274 -8.011 -15.998 1.00 31.86 H new ATOM 0 HG22 VAL A 88 47.306 -8.741 -14.695 1.00 31.86 H new ATOM 0 HG23 VAL A 88 47.147 -9.339 -16.364 1.00 31.86 H new ATOM 1283 N ARG A 89 43.138 -6.534 -14.827 1.00 28.74 N ATOM 1284 CA ARG A 89 42.029 -5.593 -14.895 1.00 27.99 C ATOM 1285 C ARG A 89 42.514 -4.145 -14.940 1.00 28.23 C ATOM 1286 O ARG A 89 43.311 -3.715 -14.106 1.00 28.54 O ATOM 1287 CB ARG A 89 41.113 -5.826 -13.689 1.00 27.21 C ATOM 1288 CG ARG A 89 40.212 -4.660 -13.335 1.00 26.48 C ATOM 1289 CD ARG A 89 39.195 -5.077 -12.292 1.00 25.83 C ATOM 1290 NE ARG A 89 39.119 -4.143 -11.172 1.00 25.29 N ATOM 1291 CZ ARG A 89 38.042 -3.994 -10.400 1.00 24.70 C ATOM 1292 NH1 ARG A 89 36.922 -4.650 -10.675 1.00 24.55 N ATOM 1293 NH2 ARG A 89 38.095 -3.190 -9.350 1.00 24.34 N ATOM 0 H ARG A 89 43.420 -6.775 -13.877 1.00 28.74 H new ATOM 0 HA ARG A 89 41.476 -5.765 -15.819 1.00 27.99 H new ATOM 0 HB2 ARG A 89 40.491 -6.699 -13.887 1.00 27.21 H new ATOM 0 HB3 ARG A 89 41.731 -6.064 -12.823 1.00 27.21 H new ATOM 0 HG2 ARG A 89 40.811 -3.831 -12.958 1.00 26.48 H new ATOM 0 HG3 ARG A 89 39.700 -4.303 -14.229 1.00 26.48 H new ATOM 0 HD2 ARG A 89 38.214 -5.157 -12.760 1.00 25.83 H new ATOM 0 HD3 ARG A 89 39.451 -6.068 -11.917 1.00 25.83 H new ATOM 0 HE ARG A 89 39.938 -3.571 -10.968 1.00 25.29 H new ATOM 0 HH11 ARG A 89 36.881 -5.273 -11.481 1.00 24.55 H new ATOM 0 HH12 ARG A 89 36.102 -4.531 -10.080 1.00 24.55 H new ATOM 0 HH21 ARG A 89 38.957 -2.688 -9.135 1.00 24.34 H new ATOM 0 HH22 ARG A 89 37.274 -3.072 -8.756 1.00 24.34 H new ATOM 1307 N TYR A 90 42.037 -3.405 -15.932 1.00 28.18 N ATOM 1308 CA TYR A 90 42.377 -1.994 -16.062 1.00 28.46 C ATOM 1309 C TYR A 90 41.103 -1.155 -16.059 1.00 27.80 C ATOM 1310 O TYR A 90 40.036 -1.645 -16.442 1.00 27.31 O ATOM 1311 CB TYR A 90 43.196 -1.718 -17.336 1.00 29.43 C ATOM 1312 CG TYR A 90 42.527 -2.106 -18.641 1.00 29.57 C ATOM 1313 CD1 TYR A 90 42.535 -3.424 -19.089 1.00 29.65 C ATOM 1314 CD2 TYR A 90 41.863 -1.161 -19.411 1.00 29.70 C ATOM 1315 CE1 TYR A 90 41.902 -3.782 -20.264 1.00 29.86 C ATOM 1316 CE2 TYR A 90 41.232 -1.514 -20.590 1.00 29.91 C ATOM 1317 CZ TYR A 90 41.343 -2.810 -21.061 1.00 30.05 C ATOM 1318 OH TYR A 90 40.626 -3.184 -22.185 1.00 30.27 O ATOM 0 H TYR A 90 41.414 -3.758 -16.658 1.00 28.18 H new ATOM 0 HA TYR A 90 42.998 -1.717 -15.210 1.00 28.46 H new ATOM 0 HB2 TYR A 90 43.432 -0.654 -17.371 1.00 29.43 H new ATOM 0 HB3 TYR A 90 44.143 -2.252 -17.261 1.00 29.43 H new ATOM 0 HD1 TYR A 90 43.044 -4.179 -18.509 1.00 29.65 H new ATOM 0 HD2 TYR A 90 41.839 -0.132 -19.084 1.00 29.70 H new ATOM 0 HE1 TYR A 90 41.846 -4.820 -20.555 1.00 29.86 H new ATOM 0 HE2 TYR A 90 40.657 -0.783 -21.139 1.00 29.91 H new ATOM 0 HH TYR A 90 40.504 -2.407 -22.769 1.00 30.27 H new ATOM 1328 N PHE A 91 41.199 0.095 -15.631 1.00 27.84 N ATOM 1329 CA PHE A 91 40.037 0.954 -15.591 1.00 27.29 C ATOM 1330 C PHE A 91 40.025 1.829 -16.824 1.00 27.91 C ATOM 1331 O PHE A 91 41.079 2.233 -17.316 1.00 28.69 O ATOM 1332 CB PHE A 91 40.027 1.776 -14.302 1.00 26.81 C ATOM 1333 CG PHE A 91 40.025 0.890 -13.074 1.00 26.08 C ATOM 1334 CD1 PHE A 91 38.927 0.093 -12.716 1.00 25.34 C ATOM 1335 CD2 PHE A 91 41.142 0.876 -12.248 1.00 26.22 C ATOM 1336 CE1 PHE A 91 38.969 -0.680 -11.573 1.00 24.76 C ATOM 1337 CE2 PHE A 91 41.175 0.101 -11.106 1.00 25.66 C ATOM 1338 CZ PHE A 91 39.951 -0.803 -10.863 1.00 24.89 C ATOM 0 H PHE A 91 42.064 0.530 -15.310 1.00 27.84 H new ATOM 0 HA PHE A 91 39.128 0.353 -15.591 1.00 27.29 H new ATOM 0 HB2 PHE A 91 40.900 2.428 -14.279 1.00 26.81 H new ATOM 0 HB3 PHE A 91 39.148 2.420 -14.288 1.00 26.81 H new ATOM 0 HD1 PHE A 91 38.044 0.084 -13.338 1.00 25.34 H new ATOM 0 HD2 PHE A 91 41.999 1.482 -12.504 1.00 26.22 H new ATOM 0 HE1 PHE A 91 38.072 -1.211 -11.290 1.00 24.76 H new ATOM 0 HE2 PHE A 91 42.011 0.127 -10.422 1.00 25.66 H new ATOM 0 HZ PHE A 91 39.964 -1.538 -10.072 1.00 24.89 H new ATOM 1348 N VAL A 92 38.836 2.104 -17.338 1.00 27.61 N ATOM 1349 CA VAL A 92 38.708 2.795 -18.609 1.00 28.23 C ATOM 1350 C VAL A 92 37.795 4.001 -18.490 1.00 27.94 C ATOM 1351 O VAL A 92 36.599 3.853 -18.246 1.00 27.26 O ATOM 1352 CB VAL A 92 38.133 1.854 -19.701 1.00 28.37 C ATOM 1353 CG1 VAL A 92 38.056 2.539 -21.055 1.00 29.13 C ATOM 1354 CG2 VAL A 92 38.955 0.589 -19.818 1.00 28.67 C ATOM 0 H VAL A 92 37.950 1.860 -16.896 1.00 27.61 H new ATOM 0 HA VAL A 92 39.709 3.120 -18.892 1.00 28.23 H new ATOM 0 HB VAL A 92 37.121 1.595 -19.390 1.00 28.37 H new ATOM 0 HG11 VAL A 92 37.648 1.846 -21.791 1.00 29.13 H new ATOM 0 HG12 VAL A 92 37.410 3.414 -20.984 1.00 29.13 H new ATOM 0 HG13 VAL A 92 39.054 2.849 -21.363 1.00 29.13 H new ATOM 0 HG21 VAL A 92 38.529 -0.051 -20.590 1.00 28.67 H new ATOM 0 HG22 VAL A 92 39.981 0.845 -20.084 1.00 28.67 H new ATOM 0 HG23 VAL A 92 38.948 0.061 -18.864 1.00 28.67 H new ATOM 1364 N ASP A 93 38.344 5.196 -18.629 1.00 28.50 N ATOM 1365 CA ASP A 93 37.507 6.392 -18.654 1.00 28.42 C ATOM 1366 C ASP A 93 36.782 6.475 -19.999 1.00 28.86 C ATOM 1367 O ASP A 93 37.230 7.165 -20.902 1.00 29.70 O ATOM 1368 CB ASP A 93 38.328 7.675 -18.446 1.00 29.01 C ATOM 1369 CG ASP A 93 38.669 7.956 -17.001 1.00 28.68 C ATOM 1370 OD1 ASP A 93 37.761 8.351 -16.244 1.00 28.33 O ATOM 1371 OD2 ASP A 93 39.834 7.730 -16.609 1.00 28.82 O ATOM 0 H ASP A 93 39.345 5.367 -18.725 1.00 28.50 H new ATOM 0 HA ASP A 93 36.792 6.313 -17.835 1.00 28.42 H new ATOM 0 HB2 ASP A 93 39.252 7.600 -19.019 1.00 29.01 H new ATOM 0 HB3 ASP A 93 37.771 8.521 -18.849 1.00 29.01 H new ATOM 1376 N HIS A 94 35.714 5.692 -20.154 1.00 28.36 N ATOM 1377 CA HIS A 94 34.881 5.694 -21.378 1.00 28.81 C ATOM 1378 C HIS A 94 34.428 7.114 -21.750 1.00 29.31 C ATOM 1379 O HIS A 94 34.096 7.392 -22.901 1.00 29.90 O ATOM 1380 CB HIS A 94 33.653 4.781 -21.162 1.00 28.18 C ATOM 1381 CG HIS A 94 32.712 4.720 -22.323 1.00 28.49 C ATOM 1382 ND1 HIS A 94 31.477 5.332 -22.332 1.00 28.32 N ATOM 1383 CD2 HIS A 94 32.828 4.088 -23.506 1.00 29.05 C ATOM 1384 CE1 HIS A 94 30.876 5.078 -23.477 1.00 28.75 C ATOM 1385 NE2 HIS A 94 31.672 4.317 -24.213 1.00 29.20 N ATOM 0 H HIS A 94 35.394 5.036 -19.441 1.00 28.36 H new ATOM 0 HA HIS A 94 35.482 5.315 -22.204 1.00 28.81 H new ATOM 0 HB2 HIS A 94 34.001 3.772 -20.940 1.00 28.18 H new ATOM 0 HB3 HIS A 94 33.107 5.130 -20.286 1.00 28.18 H new ATOM 0 HD2 HIS A 94 33.675 3.507 -23.839 1.00 29.05 H new ATOM 0 HE1 HIS A 94 29.898 5.431 -23.767 1.00 28.75 H new ATOM 0 HE2 HIS A 94 31.463 3.961 -25.146 1.00 29.20 H new ATOM 1394 N ASN A 95 34.463 8.009 -20.778 1.00 29.17 N ATOM 1395 CA ASN A 95 34.025 9.388 -20.967 1.00 29.71 C ATOM 1396 C ASN A 95 35.093 10.240 -21.669 1.00 30.73 C ATOM 1397 O ASN A 95 34.759 11.177 -22.393 1.00 31.42 O ATOM 1398 CB ASN A 95 33.648 10.016 -19.611 1.00 29.28 C ATOM 1399 CG ASN A 95 34.803 10.013 -18.623 1.00 29.19 C ATOM 1400 OD1 ASN A 95 35.567 10.967 -18.541 1.00 29.80 O ATOM 1401 ND2 ASN A 95 34.933 8.936 -17.862 1.00 28.49 N ATOM 0 H ASN A 95 34.795 7.804 -19.835 1.00 29.17 H new ATOM 0 HA ASN A 95 33.147 9.368 -21.613 1.00 29.71 H new ATOM 0 HB2 ASN A 95 33.314 11.041 -19.770 1.00 29.28 H new ATOM 0 HB3 ASN A 95 32.808 9.470 -19.183 1.00 29.28 H new ATOM 0 HD21 ASN A 95 35.689 8.882 -17.179 1.00 28.49 H new ATOM 0 HD22 ASN A 95 34.277 8.161 -17.959 1.00 28.49 H new ATOM 1408 N THR A 96 36.370 9.926 -21.456 1.00 30.87 N ATOM 1409 CA THR A 96 37.452 10.679 -22.085 1.00 31.86 C ATOM 1410 C THR A 96 38.268 9.794 -23.025 1.00 32.23 C ATOM 1411 O THR A 96 39.164 10.271 -23.725 1.00 33.14 O ATOM 1412 CB THR A 96 38.387 11.304 -21.027 1.00 31.96 C ATOM 1413 OG1 THR A 96 38.714 10.329 -20.024 1.00 31.19 O ATOM 1414 CG2 THR A 96 37.746 12.525 -20.376 1.00 32.02 C ATOM 0 H THR A 96 36.679 9.160 -20.857 1.00 30.87 H new ATOM 0 HA THR A 96 36.990 11.478 -22.664 1.00 31.86 H new ATOM 0 HB THR A 96 39.299 11.627 -21.529 1.00 31.96 H new ATOM 0 HG1 THR A 96 39.433 9.750 -20.353 1.00 31.19 H new ATOM 0 HG21 THR A 96 38.428 12.943 -19.636 1.00 32.02 H new ATOM 0 HG22 THR A 96 37.534 13.275 -21.138 1.00 32.02 H new ATOM 0 HG23 THR A 96 36.817 12.231 -19.888 1.00 32.02 H new ATOM 1422 N ARG A 97 37.945 8.505 -23.023 1.00 31.56 N ATOM 1423 CA ARG A 97 38.629 7.507 -23.851 1.00 31.87 C ATOM 1424 C ARG A 97 40.100 7.424 -23.500 1.00 32.27 C ATOM 1425 O ARG A 97 40.962 7.948 -24.206 1.00 33.03 O ATOM 1426 CB ARG A 97 38.455 7.800 -25.327 1.00 32.70 C ATOM 1427 CG ARG A 97 37.012 7.738 -25.749 1.00 32.43 C ATOM 1428 CD ARG A 97 36.867 7.943 -27.246 1.00 33.36 C ATOM 1429 NE ARG A 97 37.731 9.024 -27.733 1.00 33.97 N ATOM 1430 CZ ARG A 97 37.736 9.466 -28.985 1.00 34.73 C ATOM 1431 NH1 ARG A 97 36.857 8.999 -29.860 1.00 35.00 N ATOM 1432 NH2 ARG A 97 38.614 10.394 -29.347 1.00 35.29 N ATOM 0 H ARG A 97 37.199 8.117 -22.446 1.00 31.56 H new ATOM 0 HA ARG A 97 38.169 6.541 -23.641 1.00 31.87 H new ATOM 0 HB2 ARG A 97 38.855 8.789 -25.550 1.00 32.70 H new ATOM 0 HB3 ARG A 97 39.034 7.083 -25.909 1.00 32.70 H new ATOM 0 HG2 ARG A 97 36.590 6.773 -25.469 1.00 32.43 H new ATOM 0 HG3 ARG A 97 36.442 8.501 -25.218 1.00 32.43 H new ATOM 0 HD2 ARG A 97 37.115 7.017 -27.766 1.00 33.36 H new ATOM 0 HD3 ARG A 97 35.828 8.173 -27.483 1.00 33.36 H new ATOM 0 HE ARG A 97 38.368 9.464 -27.068 1.00 33.97 H new ATOM 0 HH11 ARG A 97 36.174 8.298 -29.572 1.00 35.00 H new ATOM 0 HH12 ARG A 97 36.863 9.341 -30.821 1.00 35.00 H new ATOM 0 HH21 ARG A 97 39.278 10.762 -28.665 1.00 35.29 H new ATOM 0 HH22 ARG A 97 38.625 10.739 -30.307 1.00 35.29 H new ATOM 1446 N THR A 98 40.358 6.765 -22.391 1.00 31.75 N ATOM 1447 CA THR A 98 41.705 6.634 -21.855 1.00 32.09 C ATOM 1448 C THR A 98 41.809 5.380 -20.989 1.00 31.35 C ATOM 1449 O THR A 98 40.791 4.865 -20.518 1.00 30.48 O ATOM 1450 CB THR A 98 42.074 7.870 -21.005 1.00 32.35 C ATOM 1451 OG1 THR A 98 40.885 8.430 -20.425 1.00 32.15 O ATOM 1452 CG2 THR A 98 42.786 8.935 -21.841 1.00 32.59 C ATOM 0 H THR A 98 39.642 6.302 -21.831 1.00 31.75 H new ATOM 0 HA THR A 98 42.397 6.557 -22.693 1.00 32.09 H new ATOM 0 HB THR A 98 42.756 7.546 -20.219 1.00 32.35 H new ATOM 0 HG1 THR A 98 41.132 9.120 -19.774 1.00 32.15 H new ATOM 0 HG21 THR A 98 43.030 9.790 -21.210 1.00 32.59 H new ATOM 0 HG22 THR A 98 43.703 8.518 -22.258 1.00 32.59 H new ATOM 0 HG23 THR A 98 42.133 9.258 -22.652 1.00 32.59 H new ATOM 1460 N THR A 99 43.024 4.883 -20.786 1.00 31.74 N ATOM 1461 CA THR A 99 43.233 3.694 -19.971 1.00 31.18 C ATOM 1462 C THR A 99 44.064 4.056 -18.732 1.00 31.15 C ATOM 1463 O THR A 99 45.013 4.832 -18.837 1.00 31.92 O ATOM 1464 CB THR A 99 43.968 2.596 -20.788 1.00 31.73 C ATOM 1465 OG1 THR A 99 45.102 3.175 -21.449 1.00 32.77 O ATOM 1466 CG2 THR A 99 43.047 1.967 -21.844 1.00 31.59 C ATOM 0 H THR A 99 43.877 5.285 -21.174 1.00 31.74 H new ATOM 0 HA THR A 99 42.262 3.309 -19.661 1.00 31.18 H new ATOM 0 HB THR A 99 44.282 1.816 -20.095 1.00 31.73 H new ATOM 0 HG1 THR A 99 45.569 2.484 -21.964 1.00 32.77 H new ATOM 0 HG21 THR A 99 43.595 1.203 -22.396 1.00 31.59 H new ATOM 0 HG22 THR A 99 42.187 1.512 -21.352 1.00 31.59 H new ATOM 0 HG23 THR A 99 42.705 2.738 -22.534 1.00 31.59 H new ATOM 1474 N THR A 100 43.695 3.550 -17.557 1.00 30.32 N ATOM 1475 CA THR A 100 44.452 3.855 -16.352 1.00 30.31 C ATOM 1476 C THR A 100 44.368 2.711 -15.347 1.00 29.79 C ATOM 1477 O THR A 100 43.389 1.955 -15.320 1.00 29.19 O ATOM 1478 CB THR A 100 43.971 5.173 -15.694 1.00 29.94 C ATOM 1479 OG1 THR A 100 44.796 5.497 -14.564 1.00 30.23 O ATOM 1480 CG2 THR A 100 42.512 5.071 -15.253 1.00 28.90 C ATOM 0 H THR A 100 42.891 2.938 -17.417 1.00 30.32 H new ATOM 0 HA THR A 100 45.492 3.983 -16.652 1.00 30.31 H new ATOM 0 HB THR A 100 44.051 5.965 -16.439 1.00 29.94 H new ATOM 0 HG1 THR A 100 44.482 6.332 -14.159 1.00 30.23 H new ATOM 0 HG21 THR A 100 42.204 6.011 -14.795 1.00 28.90 H new ATOM 0 HG22 THR A 100 41.883 4.866 -16.120 1.00 28.90 H new ATOM 0 HG23 THR A 100 42.406 4.263 -14.529 1.00 28.90 H new ATOM 1488 N PHE A 101 45.425 2.541 -14.571 1.00 30.11 N ATOM 1489 CA PHE A 101 45.460 1.516 -13.548 1.00 29.74 C ATOM 1490 C PHE A 101 45.375 2.155 -12.164 1.00 29.28 C ATOM 1491 O PHE A 101 46.370 2.669 -11.647 1.00 29.75 O ATOM 1492 CB PHE A 101 46.746 0.687 -13.648 1.00 30.55 C ATOM 1493 CG PHE A 101 46.776 -0.275 -14.799 1.00 30.86 C ATOM 1494 CD1 PHE A 101 46.552 -1.630 -14.603 1.00 30.67 C ATOM 1495 CD2 PHE A 101 47.000 0.183 -16.083 1.00 31.41 C ATOM 1496 CE1 PHE A 101 46.555 -2.509 -15.667 1.00 31.03 C ATOM 1497 CE2 PHE A 101 47.009 -0.690 -17.152 1.00 31.76 C ATOM 1498 CZ PHE A 101 46.877 -2.073 -16.913 1.00 31.57 C ATOM 0 H PHE A 101 46.273 3.104 -14.633 1.00 30.11 H new ATOM 0 HA PHE A 101 44.605 0.857 -13.700 1.00 29.74 H new ATOM 0 HB2 PHE A 101 47.595 1.365 -13.735 1.00 30.55 H new ATOM 0 HB3 PHE A 101 46.877 0.129 -12.721 1.00 30.55 H new ATOM 0 HD1 PHE A 101 46.373 -2.002 -13.605 1.00 30.67 H new ATOM 0 HD2 PHE A 101 47.170 1.236 -16.252 1.00 31.41 H new ATOM 0 HE1 PHE A 101 46.301 -3.547 -15.509 1.00 31.03 H new ATOM 0 HE2 PHE A 101 47.116 -0.318 -18.160 1.00 31.76 H new ATOM 0 HZ PHE A 101 47.031 -2.781 -17.714 1.00 31.57 H new ATOM 1508 N LYS A 102 44.183 2.169 -11.579 1.00 28.42 N ATOM 1509 CA LYS A 102 44.017 2.684 -10.233 1.00 27.96 C ATOM 1510 C LYS A 102 44.161 1.543 -9.242 1.00 27.32 C ATOM 1511 O LYS A 102 43.188 0.870 -8.901 1.00 26.80 O ATOM 1512 CB LYS A 102 42.655 3.366 -10.057 1.00 27.61 C ATOM 1513 CG LYS A 102 42.518 4.685 -10.806 1.00 27.94 C ATOM 1514 CD LYS A 102 41.167 5.346 -10.543 1.00 27.68 C ATOM 1515 CE LYS A 102 41.005 5.734 -9.080 1.00 27.51 C ATOM 1516 NZ LYS A 102 41.886 6.866 -8.690 1.00 27.73 N ATOM 0 H LYS A 102 43.325 1.831 -12.015 1.00 28.42 H new ATOM 0 HA LYS A 102 44.787 3.434 -10.051 1.00 27.96 H new ATOM 0 HB2 LYS A 102 41.874 2.686 -10.396 1.00 27.61 H new ATOM 0 HB3 LYS A 102 42.485 3.544 -8.995 1.00 27.61 H new ATOM 0 HG2 LYS A 102 43.318 5.360 -10.503 1.00 27.94 H new ATOM 0 HG3 LYS A 102 42.636 4.510 -11.875 1.00 27.94 H new ATOM 0 HD2 LYS A 102 41.068 6.234 -11.168 1.00 27.68 H new ATOM 0 HD3 LYS A 102 40.366 4.664 -10.829 1.00 27.68 H new ATOM 0 HE2 LYS A 102 39.966 6.005 -8.892 1.00 27.51 H new ATOM 0 HE3 LYS A 102 41.228 4.871 -8.452 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 41.689 7.136 -7.705 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 42.881 6.578 -8.778 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 41.705 7.678 -9.314 1.00 27.73 H new ATOM 1530 N ASP A 103 45.391 1.302 -8.827 1.00 27.47 N ATOM 1531 CA ASP A 103 45.690 0.208 -7.924 1.00 26.99 C ATOM 1532 C ASP A 103 45.699 0.721 -6.480 1.00 26.66 C ATOM 1533 O ASP A 103 46.273 1.778 -6.201 1.00 27.04 O ATOM 1534 CB ASP A 103 47.043 -0.424 -8.288 1.00 27.47 C ATOM 1535 CG ASP A 103 47.309 -1.721 -7.551 1.00 27.51 C ATOM 1536 OD1 ASP A 103 47.505 -1.686 -6.315 1.00 27.33 O ATOM 1537 OD2 ASP A 103 47.332 -2.783 -8.194 1.00 27.82 O ATOM 0 H ASP A 103 46.203 1.854 -9.104 1.00 27.47 H new ATOM 0 HA ASP A 103 44.921 -0.559 -8.017 1.00 26.99 H new ATOM 0 HB2 ASP A 103 47.074 -0.610 -9.362 1.00 27.47 H new ATOM 0 HB3 ASP A 103 47.840 0.285 -8.064 1.00 27.47 H new ATOM 1542 N PRO A 104 45.023 0.010 -5.556 1.00 26.03 N ATOM 1543 CA PRO A 104 44.932 0.422 -4.148 1.00 25.74 C ATOM 1544 C PRO A 104 46.255 0.262 -3.390 1.00 26.01 C ATOM 1545 O PRO A 104 46.415 0.800 -2.292 1.00 25.99 O ATOM 1546 CB PRO A 104 43.866 -0.524 -3.568 1.00 25.14 C ATOM 1547 CG PRO A 104 43.923 -1.729 -4.441 1.00 25.07 C ATOM 1548 CD PRO A 104 44.271 -1.233 -5.817 1.00 25.65 C ATOM 0 HA PRO A 104 44.686 1.480 -4.056 1.00 25.74 H new ATOM 0 HB2 PRO A 104 44.081 -0.776 -2.530 1.00 25.14 H new ATOM 0 HB3 PRO A 104 42.877 -0.067 -3.587 1.00 25.14 H new ATOM 0 HG2 PRO A 104 44.671 -2.436 -4.081 1.00 25.07 H new ATOM 0 HG3 PRO A 104 42.967 -2.252 -4.446 1.00 25.07 H new ATOM 0 HD2 PRO A 104 44.873 -1.958 -6.365 1.00 25.65 H new ATOM 0 HD3 PRO A 104 43.378 -1.044 -6.413 1.00 25.65 H new ATOM 1556 N ARG A 105 47.208 -0.451 -3.980 1.00 26.35 N ATOM 1557 CA ARG A 105 48.509 -0.660 -3.351 1.00 26.73 C ATOM 1558 C ARG A 105 49.542 0.308 -3.936 1.00 27.46 C ATOM 1559 O ARG A 105 49.885 0.189 -5.112 1.00 27.80 O ATOM 1560 CB ARG A 105 49.018 -2.101 -3.560 1.00 26.76 C ATOM 1561 CG ARG A 105 48.296 -3.183 -2.759 1.00 26.26 C ATOM 1562 CD ARG A 105 46.884 -3.447 -3.281 1.00 25.68 C ATOM 1563 NE ARG A 105 46.865 -3.662 -4.729 1.00 25.63 N ATOM 1564 CZ ARG A 105 46.277 -4.688 -5.331 1.00 25.39 C ATOM 1565 NH1 ARG A 105 45.716 -5.662 -4.628 1.00 25.18 N ATOM 1566 NH2 ARG A 105 46.266 -4.743 -6.654 1.00 25.45 N ATOM 0 H ARG A 105 47.105 -0.894 -4.893 1.00 26.35 H new ATOM 0 HA ARG A 105 48.381 -0.481 -2.283 1.00 26.73 H new ATOM 0 HB2 ARG A 105 48.937 -2.345 -4.619 1.00 26.76 H new ATOM 0 HB3 ARG A 105 50.077 -2.133 -3.305 1.00 26.76 H new ATOM 0 HG2 ARG A 105 48.874 -4.107 -2.797 1.00 26.26 H new ATOM 0 HG3 ARG A 105 48.244 -2.883 -1.712 1.00 26.26 H new ATOM 0 HD2 ARG A 105 46.470 -4.322 -2.779 1.00 25.68 H new ATOM 0 HD3 ARG A 105 46.242 -2.602 -3.032 1.00 25.68 H new ATOM 0 HE ARG A 105 47.337 -2.975 -5.317 1.00 25.63 H new ATOM 0 HH11 ARG A 105 45.732 -5.630 -3.609 1.00 25.18 H new ATOM 0 HH12 ARG A 105 45.268 -6.444 -5.106 1.00 25.18 H new ATOM 0 HH21 ARG A 105 46.706 -4.002 -7.199 1.00 25.45 H new ATOM 0 HH22 ARG A 105 45.817 -5.527 -7.128 1.00 25.45 H new ATOM 1580 N PRO A 106 50.007 1.317 -3.167 1.00 27.81 N ATOM 1581 CA PRO A 106 51.045 2.235 -3.650 1.00 28.58 C ATOM 1582 C PRO A 106 52.271 1.475 -4.155 1.00 29.15 C ATOM 1583 O PRO A 106 52.899 0.728 -3.402 1.00 29.20 O ATOM 1584 CB PRO A 106 51.407 3.048 -2.409 1.00 28.76 C ATOM 1585 CG PRO A 106 50.187 3.016 -1.561 1.00 28.29 C ATOM 1586 CD PRO A 106 49.520 1.691 -1.822 1.00 27.58 C ATOM 0 HA PRO A 106 50.703 2.844 -4.487 1.00 28.58 H new ATOM 0 HB2 PRO A 106 52.261 2.615 -1.889 1.00 28.76 H new ATOM 0 HB3 PRO A 106 51.679 4.070 -2.672 1.00 28.76 H new ATOM 0 HG2 PRO A 106 50.444 3.120 -0.507 1.00 28.29 H new ATOM 0 HG3 PRO A 106 49.520 3.842 -1.809 1.00 28.29 H new ATOM 0 HD2 PRO A 106 49.797 0.948 -1.074 1.00 27.58 H new ATOM 0 HD3 PRO A 106 48.434 1.777 -1.798 1.00 27.58 H new ATOM 1594 N GLY A 107 52.584 1.634 -5.438 1.00 29.63 N ATOM 1595 CA GLY A 107 53.710 0.924 -6.027 1.00 30.26 C ATOM 1596 C GLY A 107 53.415 -0.546 -6.324 1.00 30.07 C ATOM 1597 O GLY A 107 54.053 -1.128 -7.198 1.00 30.61 O ATOM 0 H GLY A 107 52.078 2.242 -6.082 1.00 29.63 H new ATOM 0 HA2 GLY A 107 54.000 1.422 -6.952 1.00 30.26 H new ATOM 0 HA3 GLY A 107 54.563 0.986 -5.351 1.00 30.26 H new ATOM 1601 N PHE A 108 52.411 -1.110 -5.630 1.00 29.36 N ATOM 1602 CA PHE A 108 52.014 -2.540 -5.754 1.00 29.20 C ATOM 1603 C PHE A 108 53.218 -3.482 -5.831 1.00 29.85 C ATOM 1604 O PHE A 108 53.170 -4.521 -6.491 1.00 30.10 O ATOM 1605 CB PHE A 108 51.045 -2.774 -6.942 1.00 29.02 C ATOM 1606 CG PHE A 108 51.521 -2.278 -8.290 1.00 28.90 C ATOM 1607 CD1 PHE A 108 51.176 -1.013 -8.753 1.00 29.07 C ATOM 1608 CD2 PHE A 108 52.301 -3.089 -9.106 1.00 28.70 C ATOM 1609 CE1 PHE A 108 51.603 -0.571 -9.993 1.00 29.04 C ATOM 1610 CE2 PHE A 108 52.730 -2.647 -10.344 1.00 28.68 C ATOM 1611 CZ PHE A 108 52.379 -1.387 -10.788 1.00 28.85 C ATOM 0 H PHE A 108 51.843 -0.590 -4.961 1.00 29.36 H new ATOM 0 HA PHE A 108 51.478 -2.783 -4.836 1.00 29.20 H new ATOM 0 HB2 PHE A 108 50.847 -3.843 -7.019 1.00 29.02 H new ATOM 0 HB3 PHE A 108 50.096 -2.290 -6.713 1.00 29.02 H new ATOM 0 HD1 PHE A 108 50.567 -0.367 -8.137 1.00 29.07 H new ATOM 0 HD2 PHE A 108 52.576 -4.078 -8.769 1.00 28.70 H new ATOM 0 HE1 PHE A 108 51.328 0.415 -10.338 1.00 29.04 H new ATOM 0 HE2 PHE A 108 53.340 -3.287 -10.964 1.00 28.68 H new ATOM 0 HZ PHE A 108 52.712 -1.042 -11.756 1.00 28.85 H new ATOM 1621 N GLU A 109 54.231 -3.178 -5.032 1.00 30.16 N ATOM 1622 CA GLU A 109 55.429 -4.003 -4.943 1.00 30.84 C ATOM 1623 C GLU A 109 55.625 -4.444 -3.499 1.00 31.39 C ATOM 1624 O GLU A 109 56.393 -3.779 -2.775 1.00 31.70 O ATOM 1625 CB GLU A 109 56.678 -3.229 -5.426 1.00 30.99 C ATOM 1626 CG GLU A 109 56.756 -3.008 -6.929 1.00 31.54 C ATOM 1627 CD GLU A 109 56.911 -4.303 -7.703 1.00 31.75 C ATOM 1628 OE1 GLU A 109 56.621 -4.313 -8.919 1.00 32.01 O ATOM 1629 OE2 GLU A 109 57.294 -5.327 -7.095 1.00 31.74 O ATOM 1630 OXT GLU A 109 54.975 -5.419 -3.075 1.00 31.58 O ATOM 0 H GLU A 109 54.247 -2.356 -4.429 1.00 30.16 H new ATOM 0 HA GLU A 109 55.301 -4.873 -5.587 1.00 30.84 H new ATOM 0 HB2 GLU A 109 56.700 -2.259 -4.930 1.00 30.99 H new ATOM 0 HB3 GLU A 109 57.568 -3.771 -5.107 1.00 30.99 H new ATOM 0 HG2 GLU A 109 55.855 -2.495 -7.264 1.00 31.54 H new ATOM 0 HG3 GLU A 109 57.598 -2.353 -7.153 1.00 31.54 H new TER 1637 GLU A 109