USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 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 1 MET N :NH3+ 163:sc= -0.222 (180deg=-0.59) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.0361 X(o=-0.26,f=-0.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.9!) USER MOD Single : A 5 TYR OH : rot -22:sc= 1.42 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 80:sc= -0.489 USER MOD Single : A 15 SER OG : rot -120:sc= 0.0577 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.017 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 168:sc= -0.358 (180deg=-0.517) USER MOD Single : A 54 SER OG : rot -40:sc= 0.015 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.705 K(o=-0.71,f=-1.4) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00399 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 40:sc= 0.895 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.121 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.411 3.886 -14.981 1.00 0.00 N ATOM 2 CA MET A 1 2.352 3.025 -13.770 1.00 0.00 C ATOM 3 C MET A 1 3.363 3.478 -12.723 1.00 0.00 C ATOM 4 O MET A 1 4.552 3.173 -12.819 1.00 0.00 O ATOM 5 CB MET A 1 2.631 1.579 -14.184 1.00 0.00 C ATOM 6 CG MET A 1 4.000 1.381 -14.818 1.00 0.00 C ATOM 7 SD MET A 1 3.927 0.449 -16.360 1.00 0.00 S ATOM 8 CE MET A 1 5.640 -0.038 -16.544 1.00 0.00 C ATOM 0 H1 MET A 1 1.940 3.404 -15.773 1.00 0.00 H new ATOM 0 H2 MET A 1 1.930 4.788 -14.790 1.00 0.00 H new ATOM 0 H3 MET A 1 3.404 4.069 -15.229 1.00 0.00 H new ATOM 0 HA MET A 1 1.360 3.102 -13.324 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.549 0.937 -13.307 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.864 1.257 -14.888 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.452 2.355 -15.008 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.649 0.860 -14.114 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.756 -0.624 -17.456 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.267 0.852 -16.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.942 -0.639 -15.686 1.00 0.00 H new ATOM 20 N ARG A 2 2.884 4.208 -11.721 1.00 0.00 N ATOM 21 CA ARG A 2 3.746 4.703 -10.655 1.00 0.00 C ATOM 22 C ARG A 2 3.855 3.684 -9.525 1.00 0.00 C ATOM 23 O ARG A 2 3.191 2.648 -9.545 1.00 0.00 O ATOM 24 CB ARG A 2 3.210 6.028 -10.110 1.00 0.00 C ATOM 25 CG ARG A 2 3.297 7.174 -11.105 1.00 0.00 C ATOM 26 CD ARG A 2 4.452 8.109 -10.780 1.00 0.00 C ATOM 27 NE ARG A 2 5.738 7.416 -10.795 1.00 0.00 N ATOM 28 CZ ARG A 2 6.841 7.887 -10.217 1.00 0.00 C ATOM 29 NH1 ARG A 2 6.819 9.051 -9.579 1.00 0.00 N ATOM 30 NH2 ARG A 2 7.969 7.194 -10.278 1.00 0.00 N ATOM 0 H ARG A 2 1.903 4.470 -11.625 1.00 0.00 H new ATOM 0 HA ARG A 2 4.740 4.864 -11.073 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.170 5.895 -9.812 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.767 6.294 -9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.423 6.775 -12.111 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.362 7.734 -11.099 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.472 8.925 -11.502 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.292 8.555 -9.798 1.00 0.00 H new ATOM 0 HE ARG A 2 5.794 6.519 -11.277 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.954 9.589 -9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.667 9.407 -9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.992 6.300 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.814 7.555 -9.835 1.00 0.00 H new ATOM 44 N ASN A 3 4.696 3.987 -8.542 1.00 0.00 N ATOM 45 CA ASN A 3 4.892 3.097 -7.402 1.00 0.00 C ATOM 46 C ASN A 3 4.490 3.784 -6.101 1.00 0.00 C ATOM 47 O ASN A 3 4.917 4.905 -5.822 1.00 0.00 O ATOM 48 CB ASN A 3 6.352 2.644 -7.329 1.00 0.00 C ATOM 49 CG ASN A 3 6.545 1.231 -7.844 1.00 0.00 C ATOM 50 OD1 ASN A 3 5.659 0.385 -7.718 1.00 0.00 O ATOM 51 ND2 ASN A 3 7.707 0.969 -8.430 1.00 0.00 N ATOM 0 H ASN A 3 5.253 4.841 -8.511 1.00 0.00 H new ATOM 0 HA ASN A 3 4.256 2.223 -7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.971 3.327 -7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.696 2.702 -6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.894 0.036 -8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.413 1.701 -8.513 1.00 0.00 H new ATOM 58 N ILE A 4 3.669 3.105 -5.309 1.00 0.00 N ATOM 59 CA ILE A 4 3.210 3.649 -4.038 1.00 0.00 C ATOM 60 C ILE A 4 4.053 3.127 -2.879 1.00 0.00 C ATOM 61 O ILE A 4 4.621 2.037 -2.953 1.00 0.00 O ATOM 62 CB ILE A 4 1.729 3.303 -3.781 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.873 3.719 -4.977 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.236 3.979 -2.510 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.481 3.046 -5.015 1.00 0.00 C ATOM 0 H ILE A 4 3.308 2.176 -5.525 1.00 0.00 H new ATOM 0 HA ILE A 4 3.316 4.732 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 4 1.642 2.224 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.732 4.800 -4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.411 3.487 -5.896 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.189 3.724 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.831 3.638 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.334 5.060 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.033 3.389 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.349 1.965 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.038 3.298 -4.113 1.00 0.00 H new ATOM 77 N TYR A 5 4.130 3.912 -1.810 1.00 0.00 N ATOM 78 CA TYR A 5 4.902 3.531 -0.634 1.00 0.00 C ATOM 79 C TYR A 5 4.071 3.691 0.635 1.00 0.00 C ATOM 80 O TYR A 5 3.865 4.804 1.118 1.00 0.00 O ATOM 81 CB TYR A 5 6.174 4.379 -0.538 1.00 0.00 C ATOM 82 CG TYR A 5 7.013 4.083 0.685 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.783 2.928 0.758 1.00 0.00 C ATOM 84 CD2 TYR A 5 7.035 4.957 1.764 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.552 2.655 1.874 1.00 0.00 C ATOM 86 CE2 TYR A 5 7.802 4.690 2.882 1.00 0.00 C ATOM 87 CZ TYR A 5 8.558 3.538 2.933 1.00 0.00 C ATOM 88 OH TYR A 5 9.322 3.268 4.045 1.00 0.00 O ATOM 0 H TYR A 5 3.666 4.817 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 5 5.180 2.482 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.778 4.214 -1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.897 5.433 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.780 2.234 -0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.443 5.860 1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.146 1.754 1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.809 5.381 3.712 1.00 0.00 H new ATOM 0 HH TYR A 5 9.505 2.306 4.091 1.00 0.00 H new ATOM 98 N VAL A 6 3.593 2.571 1.169 1.00 0.00 N ATOM 99 CA VAL A 6 2.783 2.590 2.381 1.00 0.00 C ATOM 100 C VAL A 6 3.510 1.915 3.540 1.00 0.00 C ATOM 101 O VAL A 6 3.799 0.719 3.494 1.00 0.00 O ATOM 102 CB VAL A 6 1.424 1.895 2.161 1.00 0.00 C ATOM 103 CG1 VAL A 6 1.618 0.433 1.783 1.00 0.00 C ATOM 104 CG2 VAL A 6 0.549 2.025 3.399 1.00 0.00 C ATOM 0 H VAL A 6 3.753 1.641 0.782 1.00 0.00 H new ATOM 0 HA VAL A 6 2.609 3.637 2.629 1.00 0.00 H new ATOM 0 HB VAL A 6 0.917 2.391 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.646 -0.036 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.198 0.369 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.150 -0.082 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.405 1.528 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.049 1.560 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.375 3.080 3.613 1.00 0.00 H new ATOM 114 N GLY A 7 3.797 2.689 4.580 1.00 0.00 N ATOM 115 CA GLY A 7 4.484 2.151 5.739 1.00 0.00 C ATOM 116 C GLY A 7 3.534 1.840 6.879 1.00 0.00 C ATOM 117 O GLY A 7 2.319 1.964 6.733 1.00 0.00 O ATOM 0 H GLY A 7 3.566 3.681 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.016 1.243 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.233 2.866 6.078 1.00 0.00 H new ATOM 121 N ASN A 8 4.088 1.437 8.018 1.00 0.00 N ATOM 122 CA ASN A 8 3.280 1.112 9.187 1.00 0.00 C ATOM 123 C ASN A 8 2.245 0.037 8.865 1.00 0.00 C ATOM 124 O ASN A 8 1.194 -0.033 9.501 1.00 0.00 O ATOM 125 CB ASN A 8 2.580 2.369 9.711 1.00 0.00 C ATOM 126 CG ASN A 8 2.761 2.552 11.205 1.00 0.00 C ATOM 127 OD1 ASN A 8 1.857 2.267 11.990 1.00 0.00 O ATOM 128 ND2 ASN A 8 3.934 3.030 11.605 1.00 0.00 N ATOM 0 H ASN A 8 5.093 1.328 8.156 1.00 0.00 H new ATOM 0 HA ASN A 8 3.946 0.722 9.956 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.972 3.243 9.191 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.516 2.311 9.481 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.114 3.174 12.599 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.655 3.253 10.919 1.00 0.00 H new ATOM 135 N LEU A 9 2.544 -0.798 7.874 1.00 0.00 N ATOM 136 CA LEU A 9 1.628 -1.864 7.477 1.00 0.00 C ATOM 137 C LEU A 9 2.092 -3.218 8.012 1.00 0.00 C ATOM 138 O LEU A 9 3.030 -3.297 8.803 1.00 0.00 O ATOM 139 CB LEU A 9 1.489 -1.910 5.951 1.00 0.00 C ATOM 140 CG LEU A 9 2.801 -1.860 5.163 1.00 0.00 C ATOM 141 CD1 LEU A 9 3.843 -2.771 5.793 1.00 0.00 C ATOM 142 CD2 LEU A 9 2.558 -2.249 3.710 1.00 0.00 C ATOM 0 H LEU A 9 3.408 -0.758 7.334 1.00 0.00 H new ATOM 0 HA LEU A 9 0.652 -1.648 7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.959 -2.823 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.865 -1.073 5.636 1.00 0.00 H new ATOM 0 HG LEU A 9 3.182 -0.839 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.767 -2.720 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.035 -2.450 6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.475 -3.797 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.499 -2.209 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.155 -3.261 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.847 -1.555 3.262 1.00 0.00 H new ATOM 154 N VAL A 10 1.424 -4.281 7.571 1.00 0.00 N ATOM 155 CA VAL A 10 1.763 -5.631 7.998 1.00 0.00 C ATOM 156 C VAL A 10 1.117 -6.663 7.072 1.00 0.00 C ATOM 157 O VAL A 10 0.294 -6.314 6.226 1.00 0.00 O ATOM 158 CB VAL A 10 1.322 -5.881 9.459 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.186 -6.058 9.556 1.00 0.00 C ATOM 160 CG2 VAL A 10 2.045 -7.084 10.044 1.00 0.00 C ATOM 0 H VAL A 10 0.643 -4.231 6.917 1.00 0.00 H new ATOM 0 HA VAL A 10 2.847 -5.736 7.945 1.00 0.00 H new ATOM 0 HB VAL A 10 1.594 -5.002 10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.466 -6.232 10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.682 -5.158 9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.492 -6.911 8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.719 -7.240 11.072 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.815 -7.970 9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.120 -6.906 10.028 1.00 0.00 H new ATOM 170 N TYR A 11 1.501 -7.929 7.230 1.00 0.00 N ATOM 171 CA TYR A 11 0.968 -9.012 6.404 1.00 0.00 C ATOM 172 C TYR A 11 -0.531 -8.851 6.147 1.00 0.00 C ATOM 173 O TYR A 11 -1.034 -9.248 5.097 1.00 0.00 O ATOM 174 CB TYR A 11 1.237 -10.361 7.073 1.00 0.00 C ATOM 175 CG TYR A 11 0.911 -11.550 6.198 1.00 0.00 C ATOM 176 CD1 TYR A 11 1.177 -11.527 4.834 1.00 0.00 C ATOM 177 CD2 TYR A 11 0.340 -12.696 6.736 1.00 0.00 C ATOM 178 CE1 TYR A 11 0.880 -12.612 4.031 1.00 0.00 C ATOM 179 CE2 TYR A 11 0.041 -13.785 5.940 1.00 0.00 C ATOM 180 CZ TYR A 11 0.313 -13.738 4.589 1.00 0.00 C ATOM 181 OH TYR A 11 0.016 -14.820 3.793 1.00 0.00 O ATOM 0 H TYR A 11 2.183 -8.231 7.926 1.00 0.00 H new ATOM 0 HA TYR A 11 1.476 -8.970 5.441 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.287 -10.410 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.651 -10.425 7.990 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.623 -10.647 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.126 -12.737 7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.091 -12.578 2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.404 -14.669 6.374 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.377 -15.531 4.341 1.00 0.00 H new ATOM 191 N SER A 12 -1.239 -8.268 7.110 1.00 0.00 N ATOM 192 CA SER A 12 -2.678 -8.061 6.977 1.00 0.00 C ATOM 193 C SER A 12 -3.108 -6.744 7.619 1.00 0.00 C ATOM 194 O SER A 12 -4.045 -6.708 8.417 1.00 0.00 O ATOM 195 CB SER A 12 -3.441 -9.226 7.611 1.00 0.00 C ATOM 196 OG SER A 12 -4.580 -9.569 6.841 1.00 0.00 O ATOM 0 H SER A 12 -0.842 -7.932 7.987 1.00 0.00 H new ATOM 0 HA SER A 12 -2.914 -8.014 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.783 -10.091 7.698 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.749 -8.956 8.621 1.00 0.00 H new ATOM 0 HG SER A 12 -5.049 -10.317 7.266 1.00 0.00 H new ATOM 202 N ALA A 13 -2.420 -5.662 7.265 1.00 0.00 N ATOM 203 CA ALA A 13 -2.739 -4.348 7.810 1.00 0.00 C ATOM 204 C ALA A 13 -3.955 -3.746 7.116 1.00 0.00 C ATOM 205 O ALA A 13 -4.976 -3.480 7.752 1.00 0.00 O ATOM 206 CB ALA A 13 -1.542 -3.417 7.681 1.00 0.00 C ATOM 0 H ALA A 13 -1.642 -5.670 6.606 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.979 -4.470 8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.795 -2.440 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.697 -3.833 8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.276 -3.310 6.629 1.00 0.00 H new ATOM 212 N THR A 14 -3.842 -3.536 5.808 1.00 0.00 N ATOM 213 CA THR A 14 -4.935 -2.967 5.029 1.00 0.00 C ATOM 214 C THR A 14 -4.545 -2.818 3.562 1.00 0.00 C ATOM 215 O THR A 14 -5.368 -3.011 2.669 1.00 0.00 O ATOM 216 CB THR A 14 -5.351 -1.608 5.599 1.00 0.00 C ATOM 217 OG1 THR A 14 -4.334 -1.083 6.435 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.627 -1.665 6.410 1.00 0.00 C ATOM 0 H THR A 14 -3.005 -3.751 5.266 1.00 0.00 H new ATOM 0 HA THR A 14 -5.780 -3.652 5.093 1.00 0.00 H new ATOM 0 HB THR A 14 -5.519 -0.970 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.634 -0.677 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.865 -0.669 6.784 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.443 -2.020 5.780 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.494 -2.346 7.250 1.00 0.00 H new ATOM 226 N SER A 15 -3.284 -2.473 3.319 1.00 0.00 N ATOM 227 CA SER A 15 -2.791 -2.299 1.957 1.00 0.00 C ATOM 228 C SER A 15 -3.045 -3.546 1.121 1.00 0.00 C ATOM 229 O SER A 15 -3.597 -3.469 0.024 1.00 0.00 O ATOM 230 CB SER A 15 -1.298 -1.968 1.968 1.00 0.00 C ATOM 231 OG SER A 15 -0.667 -2.495 3.122 1.00 0.00 O ATOM 0 H SER A 15 -2.587 -2.309 4.045 1.00 0.00 H new ATOM 0 HA SER A 15 -3.334 -1.468 1.506 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.826 -2.375 1.074 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.162 -0.887 1.937 1.00 0.00 H new ATOM 0 HG SER A 15 -0.269 -1.764 3.640 1.00 0.00 H new ATOM 237 N GLU A 16 -2.648 -4.698 1.649 1.00 0.00 N ATOM 238 CA GLU A 16 -2.847 -5.960 0.951 1.00 0.00 C ATOM 239 C GLU A 16 -4.323 -6.350 0.953 1.00 0.00 C ATOM 240 O GLU A 16 -4.738 -7.253 0.227 1.00 0.00 O ATOM 241 CB GLU A 16 -2.013 -7.066 1.601 1.00 0.00 C ATOM 242 CG GLU A 16 -1.538 -8.125 0.621 1.00 0.00 C ATOM 243 CD GLU A 16 -1.488 -9.510 1.237 1.00 0.00 C ATOM 244 OE1 GLU A 16 -2.312 -9.792 2.131 1.00 0.00 O ATOM 245 OE2 GLU A 16 -0.626 -10.313 0.823 1.00 0.00 O ATOM 0 H GLU A 16 -2.188 -4.783 2.555 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.522 -5.833 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.146 -6.618 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.604 -7.544 2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.203 -8.139 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.546 -7.858 0.256 1.00 0.00 H new ATOM 252 N GLN A 17 -5.112 -5.663 1.776 1.00 0.00 N ATOM 253 CA GLN A 17 -6.541 -5.936 1.874 1.00 0.00 C ATOM 254 C GLN A 17 -7.334 -5.079 0.891 1.00 0.00 C ATOM 255 O GLN A 17 -8.416 -5.467 0.451 1.00 0.00 O ATOM 256 CB GLN A 17 -7.031 -5.679 3.300 1.00 0.00 C ATOM 257 CG GLN A 17 -8.487 -6.053 3.518 1.00 0.00 C ATOM 258 CD GLN A 17 -8.650 -7.419 4.155 1.00 0.00 C ATOM 259 OE1 GLN A 17 -8.553 -8.446 3.483 1.00 0.00 O ATOM 260 NE2 GLN A 17 -8.897 -7.438 5.459 1.00 0.00 N ATOM 0 H GLN A 17 -4.784 -4.913 2.384 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.701 -6.984 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.411 -6.244 3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.896 -4.624 3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.960 -5.302 4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.009 -6.038 2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.969 -6.562 5.977 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.014 -8.328 5.943 1.00 0.00 H new ATOM 269 N VAL A 18 -6.796 -3.909 0.562 1.00 0.00 N ATOM 270 CA VAL A 18 -7.463 -2.994 -0.358 1.00 0.00 C ATOM 271 C VAL A 18 -7.056 -3.249 -1.807 1.00 0.00 C ATOM 272 O VAL A 18 -7.796 -2.914 -2.734 1.00 0.00 O ATOM 273 CB VAL A 18 -7.161 -1.524 0.003 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.679 -1.222 -0.157 1.00 0.00 C ATOM 275 CG2 VAL A 18 -8.000 -0.581 -0.846 1.00 0.00 C ATOM 0 H VAL A 18 -5.901 -3.572 0.918 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.533 -3.178 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.426 -1.368 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.490 -0.180 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.102 -1.871 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.381 -1.398 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.773 0.450 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.771 -0.740 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.058 -0.777 -0.671 1.00 0.00 H new ATOM 285 N LYS A 19 -5.879 -3.838 -2.004 1.00 0.00 N ATOM 286 CA LYS A 19 -5.386 -4.126 -3.350 1.00 0.00 C ATOM 287 C LYS A 19 -6.452 -4.824 -4.191 1.00 0.00 C ATOM 288 O LYS A 19 -6.525 -4.628 -5.404 1.00 0.00 O ATOM 289 CB LYS A 19 -4.124 -4.989 -3.287 1.00 0.00 C ATOM 290 CG LYS A 19 -4.288 -6.252 -2.460 1.00 0.00 C ATOM 291 CD LYS A 19 -3.530 -7.421 -3.071 1.00 0.00 C ATOM 292 CE LYS A 19 -4.036 -8.752 -2.539 1.00 0.00 C ATOM 293 NZ LYS A 19 -5.212 -9.245 -3.305 1.00 0.00 N ATOM 0 H LYS A 19 -5.251 -4.124 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.143 -3.175 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.832 -5.264 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.310 -4.396 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.928 -6.074 -1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.346 -6.503 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.636 -7.398 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.467 -7.321 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.236 -9.490 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.306 -8.644 -1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.526 -10.155 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.985 -8.553 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.948 -9.373 -4.303 1.00 0.00 H new ATOM 307 N GLU A 20 -7.282 -5.632 -3.539 1.00 0.00 N ATOM 308 CA GLU A 20 -8.348 -6.348 -4.231 1.00 0.00 C ATOM 309 C GLU A 20 -9.383 -5.369 -4.774 1.00 0.00 C ATOM 310 O GLU A 20 -9.972 -5.592 -5.831 1.00 0.00 O ATOM 311 CB GLU A 20 -9.016 -7.352 -3.289 1.00 0.00 C ATOM 312 CG GLU A 20 -9.771 -6.703 -2.141 1.00 0.00 C ATOM 313 CD GLU A 20 -10.431 -7.718 -1.229 1.00 0.00 C ATOM 314 OE1 GLU A 20 -11.155 -8.596 -1.743 1.00 0.00 O ATOM 315 OE2 GLU A 20 -10.223 -7.636 0.000 1.00 0.00 O ATOM 0 H GLU A 20 -7.237 -5.807 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.909 -6.892 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.706 -7.971 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.254 -8.017 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.083 -6.090 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.531 -6.033 -2.543 1.00 0.00 H new ATOM 322 N LEU A 21 -9.595 -4.280 -4.041 1.00 0.00 N ATOM 323 CA LEU A 21 -10.552 -3.258 -4.445 1.00 0.00 C ATOM 324 C LEU A 21 -9.882 -2.214 -5.332 1.00 0.00 C ATOM 325 O LEU A 21 -10.532 -1.580 -6.163 1.00 0.00 O ATOM 326 CB LEU A 21 -11.160 -2.584 -3.213 1.00 0.00 C ATOM 327 CG LEU A 21 -12.364 -1.684 -3.494 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.343 -1.722 -2.331 1.00 0.00 C ATOM 329 CD2 LEU A 21 -11.909 -0.257 -3.765 1.00 0.00 C ATOM 0 H LEU A 21 -9.115 -4.083 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.347 -3.740 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.461 -3.357 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.388 -1.990 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.874 -2.057 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.193 -1.075 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.693 -2.744 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.846 -1.374 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.778 0.371 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.375 0.126 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.247 -0.244 -4.631 1.00 0.00 H new ATOM 341 N PHE A 22 -8.575 -2.042 -5.150 1.00 0.00 N ATOM 342 CA PHE A 22 -7.809 -1.079 -5.934 1.00 0.00 C ATOM 343 C PHE A 22 -8.003 -1.312 -7.430 1.00 0.00 C ATOM 344 O PHE A 22 -7.846 -0.395 -8.236 1.00 0.00 O ATOM 345 CB PHE A 22 -6.321 -1.175 -5.575 1.00 0.00 C ATOM 346 CG PHE A 22 -5.874 -0.181 -4.535 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.787 0.420 -3.680 1.00 0.00 C ATOM 348 CD2 PHE A 22 -4.534 0.152 -4.416 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.371 1.330 -2.728 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.112 1.062 -3.464 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.032 1.652 -2.620 1.00 0.00 C ATOM 0 H PHE A 22 -8.024 -2.559 -4.465 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.172 -0.079 -5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.109 -2.182 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.730 -1.029 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.835 0.173 -3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.810 -0.305 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.092 1.790 -2.068 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.064 1.311 -3.381 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.705 2.364 -1.877 1.00 0.00 H new ATOM 361 N SER A 23 -8.348 -2.544 -7.794 1.00 0.00 N ATOM 362 CA SER A 23 -8.566 -2.894 -9.194 1.00 0.00 C ATOM 363 C SER A 23 -9.710 -2.078 -9.785 1.00 0.00 C ATOM 364 O SER A 23 -9.656 -1.661 -10.942 1.00 0.00 O ATOM 365 CB SER A 23 -8.865 -4.388 -9.326 1.00 0.00 C ATOM 366 OG SER A 23 -7.822 -5.169 -8.772 1.00 0.00 O ATOM 0 H SER A 23 -8.482 -3.315 -7.140 1.00 0.00 H new ATOM 0 HA SER A 23 -7.656 -2.664 -9.748 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.803 -4.620 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.996 -4.644 -10.377 1.00 0.00 H new ATOM 0 HG SER A 23 -8.039 -6.120 -8.868 1.00 0.00 H new ATOM 372 N GLN A 24 -10.742 -1.852 -8.981 1.00 0.00 N ATOM 373 CA GLN A 24 -11.900 -1.084 -9.421 1.00 0.00 C ATOM 374 C GLN A 24 -11.717 0.399 -9.119 1.00 0.00 C ATOM 375 O GLN A 24 -12.253 1.257 -9.820 1.00 0.00 O ATOM 376 CB GLN A 24 -13.173 -1.605 -8.749 1.00 0.00 C ATOM 377 CG GLN A 24 -13.185 -1.424 -7.239 1.00 0.00 C ATOM 378 CD GLN A 24 -14.531 -0.961 -6.719 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.392 -1.773 -6.380 1.00 0.00 O ATOM 380 NE2 GLN A 24 -14.722 0.353 -6.655 1.00 0.00 N ATOM 0 H GLN A 24 -10.800 -2.190 -8.020 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.995 -1.205 -10.500 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -14.035 -1.091 -9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.288 -2.664 -8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.920 -2.367 -6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.422 -0.699 -6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -13.981 0.991 -6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.609 0.723 -6.315 1.00 0.00 H new ATOM 389 N PHE A 25 -10.959 0.695 -8.067 1.00 0.00 N ATOM 390 CA PHE A 25 -10.708 2.074 -7.670 1.00 0.00 C ATOM 391 C PHE A 25 -9.808 2.777 -8.681 1.00 0.00 C ATOM 392 O PHE A 25 -10.022 3.945 -9.009 1.00 0.00 O ATOM 393 CB PHE A 25 -10.073 2.120 -6.279 1.00 0.00 C ATOM 394 CG PHE A 25 -10.781 3.043 -5.327 1.00 0.00 C ATOM 395 CD1 PHE A 25 -12.104 2.821 -4.983 1.00 0.00 C ATOM 396 CD2 PHE A 25 -10.123 4.131 -4.778 1.00 0.00 C ATOM 397 CE1 PHE A 25 -12.759 3.668 -4.109 1.00 0.00 C ATOM 398 CE2 PHE A 25 -10.772 4.982 -3.903 1.00 0.00 C ATOM 399 CZ PHE A 25 -12.091 4.749 -3.568 1.00 0.00 C ATOM 0 H PHE A 25 -10.509 -0.003 -7.475 1.00 0.00 H new ATOM 0 HA PHE A 25 -11.664 2.597 -7.640 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -10.064 1.114 -5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -9.034 2.435 -6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.630 1.976 -5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.091 4.317 -5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -13.791 3.485 -3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.248 5.828 -3.482 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.600 5.411 -2.884 1.00 0.00 H new ATOM 409 N GLY A 26 -8.800 2.063 -9.171 1.00 0.00 N ATOM 410 CA GLY A 26 -7.886 2.647 -10.138 1.00 0.00 C ATOM 411 C GLY A 26 -7.058 1.614 -10.880 1.00 0.00 C ATOM 412 O GLY A 26 -6.005 1.939 -11.428 1.00 0.00 O ATOM 0 H GLY A 26 -8.599 1.095 -8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.456 3.232 -10.860 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.217 3.338 -9.625 1.00 0.00 H new ATOM 416 N LYS A 27 -7.533 0.371 -10.908 1.00 0.00 N ATOM 417 CA LYS A 27 -6.825 -0.706 -11.596 1.00 0.00 C ATOM 418 C LYS A 27 -5.397 -0.854 -11.074 1.00 0.00 C ATOM 419 O LYS A 27 -4.549 0.009 -11.297 1.00 0.00 O ATOM 420 CB LYS A 27 -6.803 -0.447 -13.105 1.00 0.00 C ATOM 421 CG LYS A 27 -6.998 -1.702 -13.940 1.00 0.00 C ATOM 422 CD LYS A 27 -7.010 -1.386 -15.427 1.00 0.00 C ATOM 423 CE LYS A 27 -7.285 -2.629 -16.258 1.00 0.00 C ATOM 424 NZ LYS A 27 -6.031 -3.226 -16.796 1.00 0.00 N ATOM 0 H LYS A 27 -8.405 0.085 -10.463 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.359 -1.636 -11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.585 0.270 -13.354 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.852 0.013 -13.373 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.199 -2.411 -13.724 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.936 -2.183 -13.662 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.770 -0.633 -15.634 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.050 -0.958 -15.717 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.805 -3.367 -15.647 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.949 -2.374 -17.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.262 -4.071 -17.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.547 -2.531 -17.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.408 -3.493 -16.008 1.00 0.00 H new ATOM 438 N VAL A 28 -5.138 -1.959 -10.382 1.00 0.00 N ATOM 439 CA VAL A 28 -3.814 -2.222 -9.832 1.00 0.00 C ATOM 440 C VAL A 28 -3.087 -3.291 -10.643 1.00 0.00 C ATOM 441 O VAL A 28 -3.571 -4.413 -10.785 1.00 0.00 O ATOM 442 CB VAL A 28 -3.895 -2.670 -8.359 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.663 -3.979 -8.234 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.503 -2.799 -7.762 1.00 0.00 C ATOM 0 H VAL A 28 -5.827 -2.686 -10.189 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.255 -1.288 -9.886 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.436 -1.908 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.708 -4.276 -7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.675 -3.845 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.157 -4.754 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.581 -3.116 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.933 -3.538 -8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.996 -1.836 -7.810 1.00 0.00 H new ATOM 454 N PHE A 29 -1.922 -2.934 -11.175 1.00 0.00 N ATOM 455 CA PHE A 29 -1.131 -3.862 -11.973 1.00 0.00 C ATOM 456 C PHE A 29 -0.594 -5.001 -11.113 1.00 0.00 C ATOM 457 O PHE A 29 -0.784 -6.174 -11.432 1.00 0.00 O ATOM 458 CB PHE A 29 0.028 -3.126 -12.648 1.00 0.00 C ATOM 459 CG PHE A 29 -0.399 -2.270 -13.806 1.00 0.00 C ATOM 460 CD1 PHE A 29 -1.089 -1.088 -13.595 1.00 0.00 C ATOM 461 CD2 PHE A 29 -0.112 -2.650 -15.108 1.00 0.00 C ATOM 462 CE1 PHE A 29 -1.483 -0.299 -14.658 1.00 0.00 C ATOM 463 CE2 PHE A 29 -0.504 -1.865 -16.176 1.00 0.00 C ATOM 464 CZ PHE A 29 -1.191 -0.689 -15.951 1.00 0.00 C ATOM 0 H PHE A 29 -1.506 -2.009 -11.067 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.779 -4.286 -12.740 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.530 -2.501 -11.910 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.758 -3.856 -12.996 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.322 -0.779 -12.587 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.424 -3.570 -15.290 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.019 0.622 -14.479 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.273 -2.171 -17.186 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.500 -0.075 -16.784 1.00 0.00 H new ATOM 474 N ASN A 30 0.079 -4.648 -10.023 1.00 0.00 N ATOM 475 CA ASN A 30 0.642 -5.645 -9.118 1.00 0.00 C ATOM 476 C ASN A 30 0.879 -5.053 -7.733 1.00 0.00 C ATOM 477 O ASN A 30 0.963 -3.836 -7.573 1.00 0.00 O ATOM 478 CB ASN A 30 1.954 -6.193 -9.684 1.00 0.00 C ATOM 479 CG ASN A 30 2.117 -7.678 -9.430 1.00 0.00 C ATOM 480 OD1 ASN A 30 1.665 -8.508 -10.220 1.00 0.00 O ATOM 481 ND2 ASN A 30 2.763 -8.021 -8.323 1.00 0.00 N ATOM 0 H ASN A 30 0.248 -3.681 -9.745 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.075 -6.461 -9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.990 -6.005 -10.757 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.791 -5.657 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.902 -9.006 -8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.121 -7.300 -7.697 1.00 0.00 H new ATOM 488 N VAL A 31 0.989 -5.924 -6.735 1.00 0.00 N ATOM 489 CA VAL A 31 1.216 -5.491 -5.362 1.00 0.00 C ATOM 490 C VAL A 31 2.411 -6.215 -4.752 1.00 0.00 C ATOM 491 O VAL A 31 2.511 -7.439 -4.825 1.00 0.00 O ATOM 492 CB VAL A 31 -0.024 -5.735 -4.481 1.00 0.00 C ATOM 493 CG1 VAL A 31 0.175 -5.135 -3.097 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.271 -5.167 -5.142 1.00 0.00 C ATOM 0 H VAL A 31 0.924 -6.935 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 31 1.419 -4.421 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.159 -6.811 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.712 -5.318 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.041 -5.596 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.338 -4.061 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.136 -5.349 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.148 -4.094 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.423 -5.650 -6.107 1.00 0.00 H new ATOM 504 N LYS A 32 3.319 -5.450 -4.153 1.00 0.00 N ATOM 505 CA LYS A 32 4.508 -6.021 -3.531 1.00 0.00 C ATOM 506 C LYS A 32 4.671 -5.520 -2.099 1.00 0.00 C ATOM 507 O LYS A 32 4.332 -4.379 -1.787 1.00 0.00 O ATOM 508 CB LYS A 32 5.752 -5.676 -4.353 1.00 0.00 C ATOM 509 CG LYS A 32 6.601 -6.887 -4.708 1.00 0.00 C ATOM 510 CD LYS A 32 8.081 -6.616 -4.491 1.00 0.00 C ATOM 511 CE LYS A 32 8.573 -7.221 -3.185 1.00 0.00 C ATOM 512 NZ LYS A 32 9.887 -7.902 -3.349 1.00 0.00 N ATOM 0 H LYS A 32 3.254 -4.434 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 32 4.388 -7.104 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.444 -5.177 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.362 -4.966 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.294 -7.738 -4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.429 -7.160 -5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.653 -7.028 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.258 -5.540 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.662 -6.437 -2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.837 -7.936 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.188 -8.301 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.797 -8.666 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.596 -7.215 -3.677 1.00 0.00 H new ATOM 526 N LEU A 33 5.194 -6.383 -1.233 1.00 0.00 N ATOM 527 CA LEU A 33 5.404 -6.031 0.167 1.00 0.00 C ATOM 528 C LEU A 33 6.717 -6.616 0.680 1.00 0.00 C ATOM 529 O LEU A 33 7.131 -7.697 0.261 1.00 0.00 O ATOM 530 CB LEU A 33 4.239 -6.534 1.020 1.00 0.00 C ATOM 531 CG LEU A 33 2.857 -6.046 0.583 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.764 -6.845 1.274 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.701 -4.562 0.877 1.00 0.00 C ATOM 0 H LEU A 33 5.480 -7.331 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 33 5.456 -4.945 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.243 -7.624 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.406 -6.227 2.053 1.00 0.00 H new ATOM 0 HG LEU A 33 2.763 -6.197 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.788 -6.483 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.864 -7.899 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.854 -6.727 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.712 -4.230 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.816 -4.389 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.463 -4.002 0.335 1.00 0.00 H new ATOM 545 N ILE A 34 7.368 -5.895 1.587 1.00 0.00 N ATOM 546 CA ILE A 34 8.634 -6.347 2.152 1.00 0.00 C ATOM 547 C ILE A 34 8.407 -7.342 3.286 1.00 0.00 C ATOM 548 O ILE A 34 7.269 -7.611 3.670 1.00 0.00 O ATOM 549 CB ILE A 34 9.471 -5.164 2.678 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.711 -4.419 3.778 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.828 -4.220 1.541 1.00 0.00 C ATOM 552 CD1 ILE A 34 9.051 -4.895 5.172 1.00 0.00 C ATOM 0 H ILE A 34 7.041 -4.998 1.946 1.00 0.00 H new ATOM 0 HA ILE A 34 9.181 -6.838 1.347 1.00 0.00 H new ATOM 0 HB ILE A 34 10.395 -5.555 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.930 -3.354 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.640 -4.537 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.419 -3.390 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.407 -4.758 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.915 -3.834 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.477 -4.324 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.806 -5.953 5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.116 -4.751 5.356 1.00 0.00 H new ATOM 564 N TYR A 35 9.497 -7.889 3.816 1.00 0.00 N ATOM 565 CA TYR A 35 9.413 -8.856 4.904 1.00 0.00 C ATOM 566 C TYR A 35 10.419 -8.531 6.003 1.00 0.00 C ATOM 567 O TYR A 35 11.223 -7.608 5.872 1.00 0.00 O ATOM 568 CB TYR A 35 9.658 -10.272 4.377 1.00 0.00 C ATOM 569 CG TYR A 35 8.845 -10.610 3.147 1.00 0.00 C ATOM 570 CD1 TYR A 35 7.469 -10.786 3.230 1.00 0.00 C ATOM 571 CD2 TYR A 35 9.452 -10.754 1.907 1.00 0.00 C ATOM 572 CE1 TYR A 35 6.721 -11.097 2.109 1.00 0.00 C ATOM 573 CE2 TYR A 35 8.711 -11.063 0.782 1.00 0.00 C ATOM 574 CZ TYR A 35 7.347 -11.233 0.889 1.00 0.00 C ATOM 575 OH TYR A 35 6.606 -11.543 -0.229 1.00 0.00 O ATOM 0 H TYR A 35 10.447 -7.679 3.510 1.00 0.00 H new ATOM 0 HA TYR A 35 8.410 -8.800 5.327 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.717 -10.386 4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.425 -10.989 5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.976 -10.678 4.185 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.520 -10.622 1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.653 -11.232 2.189 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.198 -11.171 -0.176 1.00 0.00 H new ATOM 0 HH TYR A 35 7.198 -11.602 -1.008 1.00 0.00 H new ATOM 585 N ASP A 36 10.369 -9.298 7.088 1.00 0.00 N ATOM 586 CA ASP A 36 11.276 -9.095 8.213 1.00 0.00 C ATOM 587 C ASP A 36 12.674 -9.610 7.883 1.00 0.00 C ATOM 588 O ASP A 36 12.865 -10.332 6.904 1.00 0.00 O ATOM 589 CB ASP A 36 10.741 -9.801 9.460 1.00 0.00 C ATOM 590 CG ASP A 36 11.384 -9.292 10.735 1.00 0.00 C ATOM 591 OD1 ASP A 36 12.539 -9.679 11.014 1.00 0.00 O ATOM 592 OD2 ASP A 36 10.734 -8.506 11.454 1.00 0.00 O ATOM 0 H ASP A 36 9.710 -10.066 7.212 1.00 0.00 H new ATOM 0 HA ASP A 36 11.339 -8.025 8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.662 -9.659 9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.917 -10.873 9.371 1.00 0.00 H new ATOM 597 N ARG A 37 13.647 -9.235 8.705 1.00 0.00 N ATOM 598 CA ARG A 37 15.027 -9.661 8.501 1.00 0.00 C ATOM 599 C ARG A 37 15.418 -10.739 9.506 1.00 0.00 C ATOM 600 O ARG A 37 16.553 -10.775 9.983 1.00 0.00 O ATOM 601 CB ARG A 37 15.974 -8.466 8.621 1.00 0.00 C ATOM 602 CG ARG A 37 16.167 -7.709 7.316 1.00 0.00 C ATOM 603 CD ARG A 37 15.727 -6.258 7.439 1.00 0.00 C ATOM 604 NE ARG A 37 16.776 -5.415 8.008 1.00 0.00 N ATOM 605 CZ ARG A 37 16.556 -4.215 8.537 1.00 0.00 C ATOM 606 NH1 ARG A 37 15.328 -3.712 8.575 1.00 0.00 N ATOM 607 NH2 ARG A 37 17.567 -3.513 9.033 1.00 0.00 N ATOM 0 H ARG A 37 13.506 -8.637 9.519 1.00 0.00 H new ATOM 0 HA ARG A 37 15.108 -10.080 7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.587 -7.781 9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.944 -8.816 8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.216 -7.748 7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.598 -8.196 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.450 -5.878 6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.836 -6.201 8.065 1.00 0.00 H new ATOM 0 HE ARG A 37 17.733 -5.768 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.546 -4.247 8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.167 -2.791 8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.513 -3.894 9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.398 -2.593 9.439 1.00 0.00 H new ATOM 621 N GLU A 38 14.472 -11.616 9.826 1.00 0.00 N ATOM 622 CA GLU A 38 14.718 -12.694 10.775 1.00 0.00 C ATOM 623 C GLU A 38 13.521 -13.635 10.854 1.00 0.00 C ATOM 624 O GLU A 38 13.679 -14.855 10.916 1.00 0.00 O ATOM 625 CB GLU A 38 15.023 -12.123 12.161 1.00 0.00 C ATOM 626 CG GLU A 38 15.612 -13.141 13.124 1.00 0.00 C ATOM 627 CD GLU A 38 14.552 -14.005 13.778 1.00 0.00 C ATOM 628 OE1 GLU A 38 13.712 -13.454 14.520 1.00 0.00 O ATOM 629 OE2 GLU A 38 14.562 -15.233 13.548 1.00 0.00 O ATOM 0 H GLU A 38 13.527 -11.601 9.441 1.00 0.00 H new ATOM 0 HA GLU A 38 15.581 -13.261 10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.718 -11.290 12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.105 -11.720 12.589 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.315 -13.778 12.588 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.178 -12.620 13.896 1.00 0.00 H new ATOM 636 N THR A 39 12.321 -13.062 10.849 1.00 0.00 N ATOM 637 CA THR A 39 11.095 -13.850 10.918 1.00 0.00 C ATOM 638 C THR A 39 10.443 -13.985 9.543 1.00 0.00 C ATOM 639 O THR A 39 9.509 -14.767 9.367 1.00 0.00 O ATOM 640 CB THR A 39 10.112 -13.213 11.900 1.00 0.00 C ATOM 641 OG1 THR A 39 10.239 -11.801 11.893 1.00 0.00 O ATOM 642 CG2 THR A 39 10.299 -13.684 13.325 1.00 0.00 C ATOM 0 H THR A 39 12.172 -12.054 10.798 1.00 0.00 H new ATOM 0 HA THR A 39 11.359 -14.848 11.268 1.00 0.00 H new ATOM 0 HB THR A 39 9.124 -13.522 11.560 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.601 -11.412 12.527 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.570 -13.193 13.969 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.157 -14.764 13.373 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.306 -13.435 13.661 1.00 0.00 H new ATOM 650 N LYS A 40 10.935 -13.218 8.573 1.00 0.00 N ATOM 651 CA LYS A 40 10.394 -13.257 7.219 1.00 0.00 C ATOM 652 C LYS A 40 8.927 -12.834 7.208 1.00 0.00 C ATOM 653 O LYS A 40 8.153 -13.268 6.356 1.00 0.00 O ATOM 654 CB LYS A 40 10.537 -14.661 6.627 1.00 0.00 C ATOM 655 CG LYS A 40 11.980 -15.081 6.402 1.00 0.00 C ATOM 656 CD LYS A 40 12.405 -14.870 4.958 1.00 0.00 C ATOM 657 CE LYS A 40 13.705 -15.595 4.647 1.00 0.00 C ATOM 658 NZ LYS A 40 14.564 -14.817 3.713 1.00 0.00 N ATOM 0 H LYS A 40 11.707 -12.563 8.700 1.00 0.00 H new ATOM 0 HA LYS A 40 10.962 -12.555 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.058 -15.378 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.003 -14.702 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.633 -14.509 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.100 -16.131 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.620 -15.226 4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.527 -13.804 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.249 -15.778 5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.482 -16.568 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.440 -15.345 3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.055 -14.664 2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.798 -13.898 4.140 1.00 0.00 H new ATOM 672 N LYS A 41 8.555 -11.982 8.158 1.00 0.00 N ATOM 673 CA LYS A 41 7.182 -11.499 8.256 1.00 0.00 C ATOM 674 C LYS A 41 7.084 -10.050 7.782 1.00 0.00 C ATOM 675 O LYS A 41 7.933 -9.224 8.115 1.00 0.00 O ATOM 676 CB LYS A 41 6.681 -11.613 9.697 1.00 0.00 C ATOM 677 CG LYS A 41 6.448 -13.044 10.151 1.00 0.00 C ATOM 678 CD LYS A 41 5.551 -13.101 11.378 1.00 0.00 C ATOM 679 CE LYS A 41 6.245 -12.527 12.602 1.00 0.00 C ATOM 680 NZ LYS A 41 5.280 -12.207 13.690 1.00 0.00 N ATOM 0 H LYS A 41 9.184 -11.612 8.870 1.00 0.00 H new ATOM 0 HA LYS A 41 6.556 -12.117 7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.405 -11.143 10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.750 -11.054 9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.994 -13.615 9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.405 -13.516 10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.633 -12.546 11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.264 -14.134 11.572 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.982 -13.241 12.969 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.788 -11.624 12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.794 -11.818 14.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.591 -11.506 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.780 -13.073 13.976 1.00 0.00 H new ATOM 694 N PRO A 42 6.042 -9.719 6.996 1.00 0.00 N ATOM 695 CA PRO A 42 5.845 -8.359 6.482 1.00 0.00 C ATOM 696 C PRO A 42 5.835 -7.314 7.592 1.00 0.00 C ATOM 697 O PRO A 42 4.893 -7.243 8.382 1.00 0.00 O ATOM 698 CB PRO A 42 4.476 -8.426 5.801 1.00 0.00 C ATOM 699 CG PRO A 42 4.288 -9.864 5.461 1.00 0.00 C ATOM 700 CD PRO A 42 4.980 -10.638 6.547 1.00 0.00 C ATOM 0 HA PRO A 42 6.653 -8.058 5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.687 -8.070 6.464 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.448 -7.802 4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.229 -10.119 5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.715 -10.094 4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.297 -10.890 7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.391 -11.576 6.173 1.00 0.00 H new ATOM 708 N LYS A 43 6.886 -6.503 7.647 1.00 0.00 N ATOM 709 CA LYS A 43 6.996 -5.461 8.660 1.00 0.00 C ATOM 710 C LYS A 43 7.898 -4.327 8.182 1.00 0.00 C ATOM 711 O LYS A 43 9.112 -4.492 8.064 1.00 0.00 O ATOM 712 CB LYS A 43 7.530 -6.046 9.971 1.00 0.00 C ATOM 713 CG LYS A 43 8.982 -6.495 9.898 1.00 0.00 C ATOM 714 CD LYS A 43 9.902 -5.527 10.625 1.00 0.00 C ATOM 715 CE LYS A 43 11.355 -5.968 10.550 1.00 0.00 C ATOM 716 NZ LYS A 43 12.204 -4.968 9.844 1.00 0.00 N ATOM 0 H LYS A 43 7.674 -6.548 7.001 1.00 0.00 H new ATOM 0 HA LYS A 43 6.000 -5.054 8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.430 -5.299 10.758 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.911 -6.896 10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.079 -7.489 10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.287 -6.575 8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.801 -4.533 10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.598 -5.451 11.669 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.740 -6.123 11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.417 -6.926 10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.187 -5.306 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.853 -4.838 8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.165 -4.060 10.351 1.00 0.00 H new ATOM 730 N GLY A 44 7.297 -3.174 7.904 1.00 0.00 N ATOM 731 CA GLY A 44 8.063 -2.032 7.442 1.00 0.00 C ATOM 732 C GLY A 44 7.277 -1.142 6.501 1.00 0.00 C ATOM 733 O GLY A 44 7.010 0.018 6.813 1.00 0.00 O ATOM 0 H GLY A 44 6.294 -3.011 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.389 -1.447 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.962 -2.384 6.936 1.00 0.00 H new ATOM 737 N PHE A 45 6.906 -1.684 5.344 1.00 0.00 N ATOM 738 CA PHE A 45 6.147 -0.926 4.356 1.00 0.00 C ATOM 739 C PHE A 45 5.792 -1.795 3.153 1.00 0.00 C ATOM 740 O PHE A 45 6.279 -2.918 3.019 1.00 0.00 O ATOM 741 CB PHE A 45 6.944 0.296 3.898 1.00 0.00 C ATOM 742 CG PHE A 45 8.349 -0.028 3.477 1.00 0.00 C ATOM 743 CD1 PHE A 45 8.598 -0.660 2.270 1.00 0.00 C ATOM 744 CD2 PHE A 45 9.423 0.301 4.291 1.00 0.00 C ATOM 745 CE1 PHE A 45 9.889 -0.960 1.881 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.717 0.004 3.907 1.00 0.00 C ATOM 747 CZ PHE A 45 10.951 -0.627 2.701 1.00 0.00 C ATOM 0 H PHE A 45 7.118 -2.643 5.069 1.00 0.00 H new ATOM 0 HA PHE A 45 5.221 -0.594 4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.423 0.768 3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.975 1.024 4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.772 -0.922 1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.246 0.795 5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.068 -1.454 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.545 0.265 4.550 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.961 -0.860 2.399 1.00 0.00 H new ATOM 757 N GLY A 46 4.941 -1.266 2.281 1.00 0.00 N ATOM 758 CA GLY A 46 4.533 -2.003 1.100 1.00 0.00 C ATOM 759 C GLY A 46 4.776 -1.229 -0.181 1.00 0.00 C ATOM 760 O GLY A 46 5.267 -0.100 -0.149 1.00 0.00 O ATOM 0 H GLY A 46 4.526 -0.339 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.077 -2.947 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.474 -2.248 1.177 1.00 0.00 H new ATOM 764 N PHE A 47 4.431 -1.837 -1.311 1.00 0.00 N ATOM 765 CA PHE A 47 4.614 -1.198 -2.609 1.00 0.00 C ATOM 766 C PHE A 47 3.507 -1.603 -3.576 1.00 0.00 C ATOM 767 O PHE A 47 3.221 -2.788 -3.747 1.00 0.00 O ATOM 768 CB PHE A 47 5.981 -1.564 -3.191 1.00 0.00 C ATOM 769 CG PHE A 47 6.965 -0.429 -3.169 1.00 0.00 C ATOM 770 CD1 PHE A 47 7.704 -0.157 -2.029 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.150 0.367 -4.288 1.00 0.00 C ATOM 772 CE1 PHE A 47 8.609 0.886 -2.005 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.053 1.413 -4.271 1.00 0.00 C ATOM 774 CZ PHE A 47 8.784 1.673 -3.127 1.00 0.00 C ATOM 0 H PHE A 47 4.023 -2.771 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 47 4.566 -0.118 -2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.393 -2.403 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.851 -1.902 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.571 -0.768 -1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.582 0.168 -5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.179 1.086 -1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.187 2.026 -5.150 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.491 2.490 -3.110 1.00 0.00 H new ATOM 784 N VAL A 48 2.887 -0.610 -4.207 1.00 0.00 N ATOM 785 CA VAL A 48 1.810 -0.863 -5.158 1.00 0.00 C ATOM 786 C VAL A 48 2.137 -0.272 -6.526 1.00 0.00 C ATOM 787 O VAL A 48 2.821 0.746 -6.626 1.00 0.00 O ATOM 788 CB VAL A 48 0.474 -0.277 -4.664 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.663 -0.674 -5.593 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.188 -0.729 -3.239 1.00 0.00 C ATOM 0 H VAL A 48 3.112 0.376 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 48 1.712 -1.945 -5.245 1.00 0.00 H new ATOM 0 HB VAL A 48 0.553 0.810 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.598 -0.250 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.462 -0.297 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.745 -1.760 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.760 -0.306 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.130 -1.817 -3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.988 -0.389 -2.582 1.00 0.00 H new ATOM 800 N GLU A 49 1.643 -0.920 -7.577 1.00 0.00 N ATOM 801 CA GLU A 49 1.881 -0.460 -8.940 1.00 0.00 C ATOM 802 C GLU A 49 0.570 -0.090 -9.627 1.00 0.00 C ATOM 803 O GLU A 49 -0.201 -0.961 -10.027 1.00 0.00 O ATOM 804 CB GLU A 49 2.601 -1.544 -9.746 1.00 0.00 C ATOM 805 CG GLU A 49 3.458 -0.995 -10.875 1.00 0.00 C ATOM 806 CD GLU A 49 4.887 -0.728 -10.445 1.00 0.00 C ATOM 807 OE1 GLU A 49 5.677 -1.694 -10.380 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.216 0.445 -10.174 1.00 0.00 O ATOM 0 H GLU A 49 1.076 -1.765 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 49 2.510 0.429 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.231 -2.127 -9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.861 -2.227 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.458 -1.703 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.015 -0.071 -11.246 1.00 0.00 H new ATOM 815 N MET A 50 0.324 1.210 -9.759 1.00 0.00 N ATOM 816 CA MET A 50 -0.894 1.696 -10.399 1.00 0.00 C ATOM 817 C MET A 50 -0.592 2.875 -11.318 1.00 0.00 C ATOM 818 O MET A 50 0.438 3.535 -11.180 1.00 0.00 O ATOM 819 CB MET A 50 -1.919 2.110 -9.342 1.00 0.00 C ATOM 820 CG MET A 50 -2.411 0.954 -8.487 1.00 0.00 C ATOM 821 SD MET A 50 -2.862 1.470 -6.818 1.00 0.00 S ATOM 822 CE MET A 50 -4.056 2.756 -7.172 1.00 0.00 C ATOM 0 H MET A 50 0.951 1.945 -9.432 1.00 0.00 H new ATOM 0 HA MET A 50 -1.307 0.886 -11.000 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.476 2.867 -8.695 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.772 2.574 -9.837 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.275 0.493 -8.967 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.634 0.192 -8.430 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.582 3.026 -6.256 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.541 3.632 -7.566 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.773 2.394 -7.909 1.00 0.00 H new ATOM 832 N GLN A 51 -1.498 3.137 -12.254 1.00 0.00 N ATOM 833 CA GLN A 51 -1.329 4.239 -13.194 1.00 0.00 C ATOM 834 C GLN A 51 -1.569 5.579 -12.504 1.00 0.00 C ATOM 835 O GLN A 51 -2.225 5.644 -11.464 1.00 0.00 O ATOM 836 CB GLN A 51 -2.284 4.077 -14.379 1.00 0.00 C ATOM 837 CG GLN A 51 -1.578 4.014 -15.723 1.00 0.00 C ATOM 838 CD GLN A 51 -1.360 5.385 -16.332 1.00 0.00 C ATOM 839 OE1 GLN A 51 -2.314 6.099 -16.641 1.00 0.00 O ATOM 840 NE2 GLN A 51 -0.099 5.761 -16.509 1.00 0.00 N ATOM 0 H GLN A 51 -2.357 2.601 -12.382 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.303 4.220 -13.563 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.869 3.168 -14.242 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.987 4.910 -14.385 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.615 3.518 -15.601 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.166 3.405 -16.410 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.662 5.138 -16.239 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.109 6.673 -16.915 1.00 0.00 H new ATOM 849 N GLU A 52 -1.034 6.645 -13.090 1.00 0.00 N ATOM 850 CA GLU A 52 -1.189 7.981 -12.530 1.00 0.00 C ATOM 851 C GLU A 52 -2.637 8.449 -12.628 1.00 0.00 C ATOM 852 O GLU A 52 -3.056 9.012 -13.639 1.00 0.00 O ATOM 853 CB GLU A 52 -0.267 8.971 -13.247 1.00 0.00 C ATOM 854 CG GLU A 52 1.003 9.286 -12.473 1.00 0.00 C ATOM 855 CD GLU A 52 1.407 10.743 -12.585 1.00 0.00 C ATOM 856 OE1 GLU A 52 1.274 11.313 -13.689 1.00 0.00 O ATOM 857 OE2 GLU A 52 1.854 11.315 -11.569 1.00 0.00 O ATOM 0 H GLU A 52 -0.490 6.609 -13.952 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.912 7.939 -11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.002 8.564 -14.222 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.812 9.897 -13.428 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.856 9.033 -11.423 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.814 8.658 -12.842 1.00 0.00 H new ATOM 864 N GLU A 53 -3.393 8.210 -11.563 1.00 0.00 N ATOM 865 CA GLU A 53 -4.795 8.599 -11.507 1.00 0.00 C ATOM 866 C GLU A 53 -5.325 8.434 -10.089 1.00 0.00 C ATOM 867 O GLU A 53 -5.750 9.399 -9.454 1.00 0.00 O ATOM 868 CB GLU A 53 -5.623 7.759 -12.481 1.00 0.00 C ATOM 869 CG GLU A 53 -6.621 8.571 -13.291 1.00 0.00 C ATOM 870 CD GLU A 53 -7.740 9.136 -12.438 1.00 0.00 C ATOM 871 OE1 GLU A 53 -8.468 8.339 -11.809 1.00 0.00 O ATOM 872 OE2 GLU A 53 -7.890 10.376 -12.400 1.00 0.00 O ATOM 0 H GLU A 53 -3.054 7.745 -10.721 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.878 9.646 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.950 7.241 -13.164 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.160 6.993 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.100 9.389 -13.789 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.047 7.942 -14.073 1.00 0.00 H new ATOM 879 N SER A 54 -5.281 7.202 -9.595 1.00 0.00 N ATOM 880 CA SER A 54 -5.740 6.898 -8.247 1.00 0.00 C ATOM 881 C SER A 54 -4.597 7.026 -7.242 1.00 0.00 C ATOM 882 O SER A 54 -4.828 7.090 -6.034 1.00 0.00 O ATOM 883 CB SER A 54 -6.330 5.488 -8.192 1.00 0.00 C ATOM 884 OG SER A 54 -7.127 5.312 -7.034 1.00 0.00 O ATOM 0 H SER A 54 -4.930 6.395 -10.111 1.00 0.00 H new ATOM 0 HA SER A 54 -6.515 7.617 -7.982 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.932 5.308 -9.082 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.525 4.753 -8.198 1.00 0.00 H new ATOM 0 HG SER A 54 -6.697 5.752 -6.271 1.00 0.00 H new ATOM 890 N VAL A 55 -3.364 7.061 -7.745 1.00 0.00 N ATOM 891 CA VAL A 55 -2.192 7.178 -6.885 1.00 0.00 C ATOM 892 C VAL A 55 -2.127 8.551 -6.227 1.00 0.00 C ATOM 893 O VAL A 55 -1.940 8.662 -5.015 1.00 0.00 O ATOM 894 CB VAL A 55 -0.890 6.937 -7.675 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.307 6.899 -6.736 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.984 5.652 -8.483 1.00 0.00 C ATOM 0 H VAL A 55 -3.153 7.010 -8.742 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.288 6.414 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.751 7.766 -8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.216 6.728 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.385 7.849 -6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.178 6.092 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.056 5.500 -9.033 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.149 4.810 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.815 5.724 -9.185 1.00 0.00 H new ATOM 906 N SER A 56 -2.284 9.596 -7.033 1.00 0.00 N ATOM 907 CA SER A 56 -2.243 10.965 -6.527 1.00 0.00 C ATOM 908 C SER A 56 -3.473 11.276 -5.680 1.00 0.00 C ATOM 909 O SER A 56 -3.450 12.181 -4.846 1.00 0.00 O ATOM 910 CB SER A 56 -2.145 11.956 -7.689 1.00 0.00 C ATOM 911 OG SER A 56 -0.798 12.324 -7.934 1.00 0.00 O ATOM 0 H SER A 56 -2.441 9.522 -8.038 1.00 0.00 H new ATOM 0 HA SER A 56 -1.360 11.064 -5.896 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.573 11.511 -8.587 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.733 12.846 -7.463 1.00 0.00 H new ATOM 0 HG SER A 56 -0.762 12.956 -8.682 1.00 0.00 H new ATOM 917 N GLU A 57 -4.545 10.519 -5.895 1.00 0.00 N ATOM 918 CA GLU A 57 -5.782 10.713 -5.148 1.00 0.00 C ATOM 919 C GLU A 57 -5.787 9.858 -3.889 1.00 0.00 C ATOM 920 O GLU A 57 -6.276 10.278 -2.841 1.00 0.00 O ATOM 921 CB GLU A 57 -6.991 10.366 -6.020 1.00 0.00 C ATOM 922 CG GLU A 57 -7.506 11.536 -6.842 1.00 0.00 C ATOM 923 CD GLU A 57 -7.841 12.745 -5.991 1.00 0.00 C ATOM 924 OE1 GLU A 57 -8.668 12.609 -5.066 1.00 0.00 O ATOM 925 OE2 GLU A 57 -7.275 13.827 -6.250 1.00 0.00 O ATOM 0 H GLU A 57 -4.581 9.765 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.845 11.762 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.721 9.552 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.795 10.000 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.755 11.814 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.395 11.226 -7.391 1.00 0.00 H new ATOM 932 N ALA A 58 -5.235 8.655 -4.001 1.00 0.00 N ATOM 933 CA ALA A 58 -5.170 7.739 -2.872 1.00 0.00 C ATOM 934 C ALA A 58 -4.428 8.372 -1.702 1.00 0.00 C ATOM 935 O ALA A 58 -5.010 8.619 -0.648 1.00 0.00 O ATOM 936 CB ALA A 58 -4.497 6.440 -3.288 1.00 0.00 C ATOM 0 H ALA A 58 -4.827 8.293 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.188 7.519 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.454 5.763 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.068 5.975 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.485 6.649 -3.636 1.00 0.00 H new ATOM 942 N ILE A 59 -3.141 8.637 -1.897 1.00 0.00 N ATOM 943 CA ILE A 59 -2.320 9.245 -0.855 1.00 0.00 C ATOM 944 C ILE A 59 -2.898 10.588 -0.416 1.00 0.00 C ATOM 945 O ILE A 59 -2.746 10.993 0.736 1.00 0.00 O ATOM 946 CB ILE A 59 -0.865 9.450 -1.333 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.267 8.123 -1.806 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.011 10.053 -0.223 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.101 8.116 -3.274 1.00 0.00 C ATOM 0 H ILE A 59 -2.644 8.441 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.320 8.559 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.876 10.146 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.623 7.903 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.982 7.323 -1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.009 10.189 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.424 11.018 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.007 9.384 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.519 7.145 -3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.790 8.304 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.840 8.894 -3.468 1.00 0.00 H new ATOM 961 N ALA A 60 -3.556 11.273 -1.343 1.00 0.00 N ATOM 962 CA ALA A 60 -4.152 12.573 -1.058 1.00 0.00 C ATOM 963 C ALA A 60 -5.147 12.496 0.096 1.00 0.00 C ATOM 964 O ALA A 60 -5.025 13.223 1.082 1.00 0.00 O ATOM 965 CB ALA A 60 -4.833 13.120 -2.302 1.00 0.00 C ATOM 0 H ALA A 60 -3.691 10.949 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.350 13.248 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.275 14.091 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.099 13.231 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.615 12.431 -2.622 1.00 0.00 H new ATOM 971 N LYS A 61 -6.138 11.619 -0.036 1.00 0.00 N ATOM 972 CA LYS A 61 -7.162 11.464 0.993 1.00 0.00 C ATOM 973 C LYS A 61 -6.772 10.406 2.022 1.00 0.00 C ATOM 974 O LYS A 61 -7.197 10.467 3.177 1.00 0.00 O ATOM 975 CB LYS A 61 -8.501 11.093 0.351 1.00 0.00 C ATOM 976 CG LYS A 61 -8.874 11.975 -0.829 1.00 0.00 C ATOM 977 CD LYS A 61 -8.879 13.446 -0.445 1.00 0.00 C ATOM 978 CE LYS A 61 -9.793 14.255 -1.351 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.930 15.664 -0.886 1.00 0.00 N ATOM 0 H LYS A 61 -6.254 11.006 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.256 12.418 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.461 10.055 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.286 11.157 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.168 11.813 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.859 11.691 -1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.204 13.552 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.865 13.842 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.399 14.245 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.777 13.787 -1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.561 16.182 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.330 15.675 0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.995 16.119 -0.877 1.00 0.00 H new ATOM 993 N LEU A 62 -5.974 9.433 1.600 1.00 0.00 N ATOM 994 CA LEU A 62 -5.544 8.359 2.487 1.00 0.00 C ATOM 995 C LEU A 62 -4.479 8.840 3.468 1.00 0.00 C ATOM 996 O LEU A 62 -4.744 8.993 4.661 1.00 0.00 O ATOM 997 CB LEU A 62 -5.005 7.184 1.671 1.00 0.00 C ATOM 998 CG LEU A 62 -6.036 6.492 0.777 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.360 5.475 -0.129 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.110 5.824 1.623 1.00 0.00 C ATOM 0 H LEU A 62 -5.611 9.365 0.649 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.412 8.034 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.185 7.540 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.587 6.447 2.356 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.511 7.247 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.109 4.993 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.628 5.979 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.858 4.723 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.835 5.337 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.650 5.081 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.615 6.576 2.230 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.273 9.071 2.960 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.164 9.526 3.792 1.00 0.00 C ATOM 1014 C ASP A 63 -2.547 10.773 4.588 1.00 0.00 C ATOM 1015 O ASP A 63 -3.207 11.675 4.071 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.924 9.782 2.919 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.519 11.245 2.844 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.372 12.081 2.478 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.652 11.553 3.149 1.00 0.00 O ATOM 0 H ASP A 63 -3.038 8.951 1.975 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.925 8.743 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.088 9.203 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.119 9.416 1.911 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.128 10.815 5.849 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.424 11.949 6.715 1.00 0.00 C ATOM 1026 C ASN A 64 -1.774 11.772 8.085 1.00 0.00 C ATOM 1027 O ASN A 64 -1.154 12.695 8.612 1.00 0.00 O ATOM 1028 CB ASN A 64 -3.937 12.119 6.869 1.00 0.00 C ATOM 1029 CG ASN A 64 -4.464 13.311 6.093 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -5.120 13.154 5.063 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -4.181 14.511 6.585 1.00 0.00 N ATOM 0 H ASN A 64 -1.582 10.076 6.293 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.012 12.846 6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.439 11.214 6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.181 12.238 7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.511 15.349 6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.634 14.595 7.442 1.00 0.00 H new ATOM 1038 N THR A 65 -1.923 10.582 8.656 1.00 0.00 N ATOM 1039 CA THR A 65 -1.352 10.287 9.965 1.00 0.00 C ATOM 1040 C THR A 65 -1.186 8.785 10.161 1.00 0.00 C ATOM 1041 O THR A 65 -1.494 7.994 9.269 1.00 0.00 O ATOM 1042 CB THR A 65 -2.237 10.864 11.071 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.590 10.914 10.655 1.00 0.00 O ATOM 1044 CG2 THR A 65 -1.835 12.261 11.493 1.00 0.00 C ATOM 0 H THR A 65 -2.434 9.807 8.234 1.00 0.00 H new ATOM 0 HA THR A 65 -0.367 10.751 10.017 1.00 0.00 H new ATOM 0 HB THR A 65 -2.109 10.194 11.922 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.141 11.284 11.376 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.504 12.610 12.280 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.811 12.248 11.866 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.901 12.933 10.637 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.697 8.396 11.334 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.489 6.987 11.649 1.00 0.00 C ATOM 1054 C ASP A 66 -1.710 6.401 12.351 1.00 0.00 C ATOM 1055 O ASP A 66 -1.960 6.684 13.522 1.00 0.00 O ATOM 1056 CB ASP A 66 0.750 6.817 12.529 1.00 0.00 C ATOM 1057 CG ASP A 66 0.692 7.670 13.780 1.00 0.00 C ATOM 1058 OD1 ASP A 66 0.392 8.877 13.663 1.00 0.00 O ATOM 1059 OD2 ASP A 66 0.946 7.132 14.878 1.00 0.00 O ATOM 0 H ASP A 66 -0.437 9.038 12.083 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.337 6.450 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.851 5.769 12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.639 7.079 11.955 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.466 5.581 11.627 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.659 4.953 12.180 1.00 0.00 C ATOM 1066 C PHE A 67 -3.504 3.435 12.215 1.00 0.00 C ATOM 1067 O PHE A 67 -2.399 2.912 12.073 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.891 5.340 11.355 1.00 0.00 C ATOM 1069 CG PHE A 67 -5.968 6.007 12.161 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -5.853 7.339 12.526 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -7.095 5.304 12.554 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -6.843 7.957 13.266 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -8.087 5.916 13.295 1.00 0.00 C ATOM 1074 CZ PHE A 67 -7.961 7.245 13.652 1.00 0.00 C ATOM 0 H PHE A 67 -2.273 5.337 10.656 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.792 5.308 13.202 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.584 6.008 10.551 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.301 4.445 10.887 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.980 7.900 12.229 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.199 4.265 12.278 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.742 8.996 13.542 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.961 5.356 13.595 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.735 7.726 14.232 1.00 0.00 H new ATOM 1084 N MET A 68 -4.618 2.733 12.400 1.00 0.00 N ATOM 1085 CA MET A 68 -4.603 1.276 12.450 1.00 0.00 C ATOM 1086 C MET A 68 -4.967 0.684 11.092 1.00 0.00 C ATOM 1087 O MET A 68 -5.613 -0.361 11.012 1.00 0.00 O ATOM 1088 CB MET A 68 -5.576 0.773 13.517 1.00 0.00 C ATOM 1089 CG MET A 68 -5.397 1.444 14.869 1.00 0.00 C ATOM 1090 SD MET A 68 -5.776 0.345 16.247 1.00 0.00 S ATOM 1091 CE MET A 68 -7.272 1.099 16.881 1.00 0.00 C ATOM 0 H MET A 68 -5.542 3.150 12.518 1.00 0.00 H new ATOM 0 HA MET A 68 -3.594 0.954 12.708 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.597 0.937 13.172 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.448 -0.303 13.635 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.370 1.796 14.962 1.00 0.00 H new ATOM 0 HG3 MET A 68 -6.041 2.322 14.922 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.630 0.531 17.739 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.062 2.124 17.186 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.036 1.102 16.103 1.00 0.00 H new ATOM 1101 N GLY A 69 -4.547 1.358 10.026 1.00 0.00 N ATOM 1102 CA GLY A 69 -4.837 0.885 8.687 1.00 0.00 C ATOM 1103 C GLY A 69 -5.927 1.693 8.009 1.00 0.00 C ATOM 1104 O GLY A 69 -6.681 1.168 7.190 1.00 0.00 O ATOM 0 H GLY A 69 -4.010 2.224 10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.929 0.929 8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.140 -0.161 8.732 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.010 2.975 8.350 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.016 3.857 7.769 1.00 0.00 C ATOM 1110 C ARG A 70 -6.365 4.912 6.879 1.00 0.00 C ATOM 1111 O ARG A 70 -6.616 4.964 5.675 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.833 4.533 8.873 1.00 0.00 C ATOM 1113 CG ARG A 70 -8.851 5.538 8.355 1.00 0.00 C ATOM 1114 CD ARG A 70 -9.865 4.884 7.430 1.00 0.00 C ATOM 1115 NE ARG A 70 -10.887 4.149 8.170 1.00 0.00 N ATOM 1116 CZ ARG A 70 -11.663 3.211 7.631 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -11.535 2.890 6.349 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -12.570 2.593 8.375 1.00 0.00 N ATOM 0 H ARG A 70 -5.393 3.426 9.025 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.683 3.252 7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.353 3.767 9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.152 5.039 9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.369 5.998 9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.335 6.337 7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.341 5.648 6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.350 4.205 6.751 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.014 4.367 9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.839 3.363 5.772 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.132 2.171 5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.673 2.836 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.165 1.874 7.962 1.00 0.00 H new ATOM 1132 N THR A 71 -5.527 5.752 7.480 1.00 0.00 N ATOM 1133 CA THR A 71 -4.840 6.803 6.736 1.00 0.00 C ATOM 1134 C THR A 71 -3.402 6.397 6.425 1.00 0.00 C ATOM 1135 O THR A 71 -2.960 6.481 5.280 1.00 0.00 O ATOM 1136 CB THR A 71 -4.864 8.125 7.514 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.846 8.998 7.054 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.681 7.960 9.008 1.00 0.00 C ATOM 0 H THR A 71 -5.308 5.726 8.476 1.00 0.00 H new ATOM 0 HA THR A 71 -5.368 6.947 5.794 1.00 0.00 H new ATOM 0 HB THR A 71 -5.857 8.537 7.334 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.786 8.945 6.077 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.710 8.938 9.488 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.482 7.337 9.406 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.720 7.486 9.207 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.680 5.950 7.450 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.293 5.526 7.280 1.00 0.00 C ATOM 1148 C ILE A 72 -0.447 6.641 6.672 1.00 0.00 C ATOM 1149 O ILE A 72 -0.977 7.633 6.172 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.193 4.275 6.382 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.379 3.337 6.627 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.118 3.547 6.631 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.418 2.153 5.686 1.00 0.00 C ATOM 0 H ILE A 72 -3.031 5.872 8.404 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.913 5.284 8.273 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.220 4.597 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.338 2.973 7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.306 3.902 6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.173 2.667 5.990 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.952 4.212 6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.170 3.239 7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.284 1.532 5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.490 2.508 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.508 1.565 5.804 1.00 0.00 H new ATOM 1165 N ARG A 73 0.871 6.472 6.712 1.00 0.00 N ATOM 1166 CA ARG A 73 1.785 7.466 6.160 1.00 0.00 C ATOM 1167 C ARG A 73 2.173 7.104 4.729 1.00 0.00 C ATOM 1168 O ARG A 73 3.345 7.170 4.355 1.00 0.00 O ATOM 1169 CB ARG A 73 3.037 7.580 7.032 1.00 0.00 C ATOM 1170 CG ARG A 73 3.701 8.946 6.964 1.00 0.00 C ATOM 1171 CD ARG A 73 4.720 9.128 8.078 1.00 0.00 C ATOM 1172 NE ARG A 73 4.105 9.628 9.306 1.00 0.00 N ATOM 1173 CZ ARG A 73 3.666 8.848 10.294 1.00 0.00 C ATOM 1174 NH1 ARG A 73 3.769 7.527 10.208 1.00 0.00 N ATOM 1175 NH2 ARG A 73 3.121 9.393 11.372 1.00 0.00 N ATOM 0 H ARG A 73 1.329 5.657 7.120 1.00 0.00 H new ATOM 0 HA ARG A 73 1.276 8.430 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.770 7.366 8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.755 6.820 6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.192 9.065 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.941 9.725 7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.210 8.176 8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.494 9.822 7.751 1.00 0.00 H new ATOM 0 HE ARG A 73 4.005 10.637 9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.187 7.101 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.430 6.938 10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.038 10.407 11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.784 8.798 12.129 1.00 0.00 H new ATOM 1189 N VAL A 74 1.180 6.720 3.933 1.00 0.00 N ATOM 1190 CA VAL A 74 1.411 6.343 2.544 1.00 0.00 C ATOM 1191 C VAL A 74 1.890 7.535 1.720 1.00 0.00 C ATOM 1192 O VAL A 74 1.687 8.688 2.101 1.00 0.00 O ATOM 1193 CB VAL A 74 0.134 5.764 1.902 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -0.976 6.805 1.876 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.423 5.245 0.502 1.00 0.00 C ATOM 0 H VAL A 74 0.205 6.662 4.228 1.00 0.00 H new ATOM 0 HA VAL A 74 2.187 5.577 2.548 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.203 4.925 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.867 6.375 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.205 7.118 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.651 7.669 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.492 4.841 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.790 6.061 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.178 4.460 0.553 1.00 0.00 H new ATOM 1205 N THR A 75 2.528 7.248 0.589 1.00 0.00 N ATOM 1206 CA THR A 75 3.035 8.297 -0.288 1.00 0.00 C ATOM 1207 C THR A 75 3.217 7.776 -1.711 1.00 0.00 C ATOM 1208 O THR A 75 2.892 6.627 -2.008 1.00 0.00 O ATOM 1209 CB THR A 75 4.363 8.838 0.244 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.863 9.860 -0.600 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.435 7.777 0.366 1.00 0.00 C ATOM 0 H THR A 75 2.706 6.299 0.259 1.00 0.00 H new ATOM 0 HA THR A 75 2.304 9.105 -0.307 1.00 0.00 H new ATOM 0 HB THR A 75 4.140 9.223 1.239 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.712 10.194 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.351 8.227 0.749 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.100 6.998 1.051 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.628 7.340 -0.614 1.00 0.00 H new ATOM 1219 N GLU A 76 3.738 8.631 -2.585 1.00 0.00 N ATOM 1220 CA GLU A 76 3.964 8.260 -3.977 1.00 0.00 C ATOM 1221 C GLU A 76 5.397 7.771 -4.186 1.00 0.00 C ATOM 1222 O GLU A 76 6.061 8.151 -5.151 1.00 0.00 O ATOM 1223 CB GLU A 76 3.670 9.451 -4.894 1.00 0.00 C ATOM 1224 CG GLU A 76 2.542 9.194 -5.879 1.00 0.00 C ATOM 1225 CD GLU A 76 3.034 9.056 -7.307 1.00 0.00 C ATOM 1226 OE1 GLU A 76 4.240 8.788 -7.497 1.00 0.00 O ATOM 1227 OE2 GLU A 76 2.215 9.214 -8.236 1.00 0.00 O ATOM 0 H GLU A 76 4.012 9.586 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 76 3.287 7.444 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.417 10.317 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.574 9.705 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.014 8.285 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.823 10.012 -5.824 1.00 0.00 H new ATOM 1234 N ALA A 77 5.866 6.927 -3.274 1.00 0.00 N ATOM 1235 CA ALA A 77 7.217 6.386 -3.358 1.00 0.00 C ATOM 1236 C ALA A 77 8.258 7.500 -3.334 1.00 0.00 C ATOM 1237 O ALA A 77 8.676 7.894 -2.225 1.00 0.00 O ATOM 1238 CB ALA A 77 7.371 5.545 -4.617 1.00 0.00 C ATOM 0 H ALA A 77 5.331 6.603 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 77 7.382 5.752 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.385 5.147 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.658 4.721 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.180 6.164 -5.494 1.00 0.00 H new