USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 873 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 Single : A 1 MET CE :methyl -165:sc= -0.0554 (180deg=-0.347) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.0192 (180deg=-0.0559) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.71 K(o=-1.7,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.975 K(o=-0.98,f=-1.5) USER MOD Single : A 35 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 37 THR OG1 : rot 169:sc= 0.0312 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.0043) USER MOD Single : A 44 GLN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -121:sc= 1.05 (180deg=-0.0775) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.078 X(o=-0.078,f=-0.14) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 55 LYS NZ :NH3+ -155:sc= 0.901 (180deg=0.496) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0.0205 (180deg=-0.091) USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= 0.501 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-3.4) USER MOD Single : A 63 CYS SG : rot 57:sc= -2.15! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -157:sc= -0.695 (180deg=-1.25) USER MOD Single : A 77 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-3!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.356 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -1.46 USER MOD Single : A 89 ASN : amide:sc=-0.00932 K(o=-0.0093,f=-8.2!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 146:sc= -0.696 (180deg=-2.19!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 174:sc= -0.627 (180deg=-0.816) USER MOD Single : A 102 TYR OH : rot -110:sc= -0.799 USER MOD Single : A 105 THR OG1 : rot 56:sc= 0.198 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 151:sc= -0.209 (180deg=-1.06) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.384 15.926 -6.385 1.00 0.00 N ATOM 2 CA MET A 1 -6.618 15.042 -7.545 1.00 0.00 C ATOM 3 C MET A 1 -5.719 13.791 -7.463 1.00 0.00 C ATOM 4 O MET A 1 -5.030 13.435 -8.430 1.00 0.00 O ATOM 5 CB MET A 1 -6.408 15.816 -8.879 1.00 0.00 C ATOM 6 CG MET A 1 -7.361 17.005 -9.091 1.00 0.00 C ATOM 7 SD MET A 1 -7.140 17.822 -10.690 1.00 0.00 S ATOM 8 CE MET A 1 -5.439 18.377 -10.604 1.00 0.00 C ATOM 0 H1 MET A 1 -7.045 16.728 -6.421 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.535 15.392 -5.505 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.407 16.281 -6.411 1.00 0.00 H new ATOM 0 HA MET A 1 -7.654 14.705 -7.523 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.381 16.181 -8.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.527 15.120 -9.709 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.390 16.656 -9.008 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.206 17.733 -8.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.256 19.111 -11.388 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.253 18.831 -9.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.771 17.526 -10.740 1.00 0.00 H new ATOM 20 N LEU A 2 -5.701 13.132 -6.282 1.00 0.00 N ATOM 21 CA LEU A 2 -4.952 11.869 -6.101 1.00 0.00 C ATOM 22 C LEU A 2 -5.791 10.643 -6.495 1.00 0.00 C ATOM 23 O LEU A 2 -5.240 9.548 -6.586 1.00 0.00 O ATOM 24 CB LEU A 2 -4.424 11.665 -4.653 1.00 0.00 C ATOM 25 CG LEU A 2 -5.414 11.059 -3.602 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.649 10.335 -2.476 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.360 12.137 -3.038 1.00 0.00 C ATOM 0 H LEU A 2 -6.192 13.451 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.094 11.960 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.548 11.018 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.086 12.631 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.031 10.319 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.360 9.923 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.054 9.527 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.992 11.042 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.035 11.685 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.774 12.917 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.941 12.572 -3.851 1.00 0.00 H new ATOM 39 N GLU A 3 -7.124 10.800 -6.668 1.00 0.00 N ATOM 40 CA GLU A 3 -8.003 9.652 -7.005 1.00 0.00 C ATOM 41 C GLU A 3 -7.698 9.130 -8.431 1.00 0.00 C ATOM 42 O GLU A 3 -8.094 8.024 -8.788 1.00 0.00 O ATOM 43 CB GLU A 3 -9.526 9.950 -6.812 1.00 0.00 C ATOM 44 CG GLU A 3 -10.186 10.894 -7.841 1.00 0.00 C ATOM 45 CD GLU A 3 -9.769 12.363 -7.689 1.00 0.00 C ATOM 46 OE1 GLU A 3 -8.755 12.760 -8.284 1.00 0.00 O ATOM 47 OE2 GLU A 3 -10.451 13.119 -6.964 1.00 0.00 O ATOM 0 H GLU A 3 -7.609 11.693 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.771 8.864 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.063 9.001 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.665 10.378 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.932 10.556 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.269 10.821 -7.744 1.00 0.00 H new ATOM 54 N ASP A 4 -6.980 9.952 -9.229 1.00 0.00 N ATOM 55 CA ASP A 4 -6.406 9.544 -10.536 1.00 0.00 C ATOM 56 C ASP A 4 -5.303 8.467 -10.352 1.00 0.00 C ATOM 57 O ASP A 4 -5.061 7.654 -11.246 1.00 0.00 O ATOM 58 CB ASP A 4 -5.814 10.776 -11.269 1.00 0.00 C ATOM 59 CG ASP A 4 -6.846 11.892 -11.516 1.00 0.00 C ATOM 60 OD1 ASP A 4 -7.728 11.723 -12.387 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.786 12.943 -10.847 1.00 0.00 O ATOM 0 H ASP A 4 -6.780 10.922 -8.985 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.210 9.116 -11.135 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.989 11.178 -10.681 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.399 10.456 -12.225 1.00 0.00 H new ATOM 66 N TYR A 5 -4.647 8.487 -9.175 1.00 0.00 N ATOM 67 CA TYR A 5 -3.586 7.519 -8.785 1.00 0.00 C ATOM 68 C TYR A 5 -4.199 6.206 -8.226 1.00 0.00 C ATOM 69 O TYR A 5 -3.468 5.359 -7.682 1.00 0.00 O ATOM 70 CB TYR A 5 -2.640 8.149 -7.713 1.00 0.00 C ATOM 71 CG TYR A 5 -1.824 9.377 -8.174 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.455 10.574 -8.537 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.426 9.346 -8.220 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.727 11.682 -8.921 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.304 10.453 -8.610 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.352 11.616 -8.958 1.00 0.00 C ATOM 77 OH TYR A 5 0.368 12.730 -9.326 1.00 0.00 O ATOM 0 H TYR A 5 -4.837 9.183 -8.454 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.012 7.281 -9.681 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.241 8.439 -6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.945 7.381 -7.373 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.533 10.631 -8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.093 8.439 -7.945 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.234 12.597 -9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.383 10.408 -8.642 1.00 0.00 H new ATOM 0 HH TYR A 5 1.326 12.523 -9.302 1.00 0.00 H new ATOM 87 N ALA A 6 -5.544 6.064 -8.333 1.00 0.00 N ATOM 88 CA ALA A 6 -6.267 4.845 -7.928 1.00 0.00 C ATOM 89 C ALA A 6 -5.933 3.686 -8.869 1.00 0.00 C ATOM 90 O ALA A 6 -6.449 3.609 -9.993 1.00 0.00 O ATOM 91 CB ALA A 6 -7.790 5.085 -7.899 1.00 0.00 C ATOM 0 H ALA A 6 -6.152 6.794 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.944 4.585 -6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.297 4.169 -7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.020 5.878 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.131 5.378 -8.892 1.00 0.00 H new ATOM 97 N ILE A 7 -5.017 2.828 -8.427 1.00 0.00 N ATOM 98 CA ILE A 7 -4.691 1.585 -9.122 1.00 0.00 C ATOM 99 C ILE A 7 -5.562 0.470 -8.525 1.00 0.00 C ATOM 100 O ILE A 7 -5.627 0.319 -7.302 1.00 0.00 O ATOM 101 CB ILE A 7 -3.156 1.235 -9.012 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.293 2.465 -9.472 1.00 0.00 C ATOM 103 CG2 ILE A 7 -2.817 -0.033 -9.840 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.798 2.221 -9.566 1.00 0.00 C ATOM 0 H ILE A 7 -4.478 2.976 -7.574 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.899 1.696 -10.186 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.918 1.017 -7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.651 2.792 -10.448 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.466 3.287 -8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.754 -0.254 -9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.396 -0.877 -9.466 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.063 0.140 -10.888 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.300 3.134 -9.892 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.415 1.928 -8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.604 1.426 -10.285 1.00 0.00 H new ATOM 116 N SER A 8 -6.278 -0.254 -9.388 1.00 0.00 N ATOM 117 CA SER A 8 -7.150 -1.371 -8.989 1.00 0.00 C ATOM 118 C SER A 8 -6.379 -2.699 -9.049 1.00 0.00 C ATOM 119 O SER A 8 -5.382 -2.806 -9.766 1.00 0.00 O ATOM 120 CB SER A 8 -8.363 -1.409 -9.932 1.00 0.00 C ATOM 121 OG SER A 8 -9.040 -0.167 -9.955 1.00 0.00 O ATOM 0 H SER A 8 -6.272 -0.083 -10.394 1.00 0.00 H new ATOM 0 HA SER A 8 -7.489 -1.226 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.034 -1.664 -10.939 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.049 -2.193 -9.612 1.00 0.00 H new ATOM 0 HG SER A 8 -9.805 -0.223 -10.565 1.00 0.00 H new ATOM 127 N LEU A 9 -6.856 -3.709 -8.300 1.00 0.00 N ATOM 128 CA LEU A 9 -6.224 -5.048 -8.250 1.00 0.00 C ATOM 129 C LEU A 9 -6.327 -5.777 -9.618 1.00 0.00 C ATOM 130 O LEU A 9 -5.459 -6.590 -9.974 1.00 0.00 O ATOM 131 CB LEU A 9 -6.854 -5.872 -7.095 1.00 0.00 C ATOM 132 CG LEU A 9 -6.350 -7.338 -6.899 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.809 -7.411 -6.806 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.016 -7.983 -5.661 1.00 0.00 C ATOM 0 H LEU A 9 -7.686 -3.625 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.159 -4.934 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.685 -5.331 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.932 -5.905 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.643 -7.907 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.501 -8.448 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.370 -7.020 -7.724 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.467 -6.817 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.652 -9.003 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.769 -7.403 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.098 -7.997 -5.796 1.00 0.00 H new ATOM 146 N GLU A 10 -7.370 -5.429 -10.386 1.00 0.00 N ATOM 147 CA GLU A 10 -7.613 -5.972 -11.740 1.00 0.00 C ATOM 148 C GLU A 10 -6.528 -5.526 -12.760 1.00 0.00 C ATOM 149 O GLU A 10 -6.328 -6.185 -13.783 1.00 0.00 O ATOM 150 CB GLU A 10 -9.015 -5.521 -12.228 1.00 0.00 C ATOM 151 CG GLU A 10 -9.175 -3.989 -12.321 1.00 0.00 C ATOM 152 CD GLU A 10 -10.557 -3.540 -12.810 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.476 -3.387 -11.978 1.00 0.00 O ATOM 154 OE2 GLU A 10 -10.734 -3.345 -14.030 1.00 0.00 O ATOM 0 H GLU A 10 -8.077 -4.758 -10.087 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.565 -7.059 -11.677 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.207 -5.958 -13.208 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.771 -5.916 -11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.988 -3.553 -11.340 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.415 -3.594 -12.995 1.00 0.00 H new ATOM 161 N GLU A 11 -5.834 -4.410 -12.469 1.00 0.00 N ATOM 162 CA GLU A 11 -4.867 -3.783 -13.405 1.00 0.00 C ATOM 163 C GLU A 11 -3.452 -3.671 -12.795 1.00 0.00 C ATOM 164 O GLU A 11 -2.498 -3.365 -13.516 1.00 0.00 O ATOM 165 CB GLU A 11 -5.381 -2.371 -13.818 1.00 0.00 C ATOM 166 CG GLU A 11 -5.575 -1.390 -12.641 1.00 0.00 C ATOM 167 CD GLU A 11 -5.981 0.041 -13.046 1.00 0.00 C ATOM 168 OE1 GLU A 11 -5.494 0.546 -14.081 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.755 0.688 -12.302 1.00 0.00 O ATOM 0 H GLU A 11 -5.924 -3.914 -11.582 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.792 -4.425 -14.283 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.676 -1.934 -14.526 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.331 -2.483 -14.341 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.337 -1.793 -11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.647 -1.341 -12.072 1.00 0.00 H new ATOM 176 N VAL A 12 -3.316 -3.940 -11.481 1.00 0.00 N ATOM 177 CA VAL A 12 -2.067 -3.660 -10.730 1.00 0.00 C ATOM 178 C VAL A 12 -0.916 -4.608 -11.124 1.00 0.00 C ATOM 179 O VAL A 12 -1.145 -5.754 -11.502 1.00 0.00 O ATOM 180 CB VAL A 12 -2.298 -3.745 -9.172 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.589 -5.185 -8.696 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.125 -3.124 -8.378 1.00 0.00 C ATOM 0 H VAL A 12 -4.056 -4.352 -10.913 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.780 -2.643 -10.998 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.189 -3.152 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.740 -5.188 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.487 -5.557 -9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.745 -5.828 -8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.326 -3.204 -7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.203 -3.656 -8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.018 -2.074 -8.649 1.00 0.00 H new ATOM 192 N ASN A 13 0.313 -4.081 -11.100 1.00 0.00 N ATOM 193 CA ASN A 13 1.550 -4.876 -11.144 1.00 0.00 C ATOM 194 C ASN A 13 2.380 -4.474 -9.914 1.00 0.00 C ATOM 195 O ASN A 13 3.112 -3.491 -9.973 1.00 0.00 O ATOM 196 CB ASN A 13 2.367 -4.625 -12.458 1.00 0.00 C ATOM 197 CG ASN A 13 1.767 -5.222 -13.747 1.00 0.00 C ATOM 198 OD1 ASN A 13 2.494 -5.779 -14.566 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.473 -5.042 -13.984 1.00 0.00 N ATOM 0 H ASN A 13 0.481 -3.076 -11.049 1.00 0.00 H new ATOM 0 HA ASN A 13 1.307 -5.938 -11.135 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.476 -3.549 -12.595 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.369 -5.033 -12.324 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.065 -5.369 -14.860 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.113 -4.577 -13.290 1.00 0.00 H new ATOM 206 N PHE A 14 2.228 -5.210 -8.788 1.00 0.00 N ATOM 207 CA PHE A 14 2.909 -4.875 -7.505 1.00 0.00 C ATOM 208 C PHE A 14 4.447 -4.823 -7.652 1.00 0.00 C ATOM 209 O PHE A 14 5.105 -4.017 -7.003 1.00 0.00 O ATOM 210 CB PHE A 14 2.522 -5.883 -6.383 1.00 0.00 C ATOM 211 CG PHE A 14 1.112 -5.692 -5.822 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.821 -4.616 -4.993 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.086 -6.581 -6.117 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.447 -4.440 -4.478 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.181 -6.407 -5.602 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.446 -5.336 -4.786 1.00 0.00 C ATOM 0 H PHE A 14 1.640 -6.042 -8.737 1.00 0.00 H new ATOM 0 HA PHE A 14 2.565 -3.879 -7.226 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.610 -6.896 -6.775 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.240 -5.794 -5.568 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.598 -3.907 -4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.285 -7.424 -6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.656 -3.599 -3.833 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.963 -7.112 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.439 -5.196 -4.385 1.00 0.00 H new ATOM 226 N ASN A 15 4.990 -5.667 -8.537 1.00 0.00 N ATOM 227 CA ASN A 15 6.449 -5.775 -8.766 1.00 0.00 C ATOM 228 C ASN A 15 6.979 -4.608 -9.635 1.00 0.00 C ATOM 229 O ASN A 15 8.194 -4.448 -9.791 1.00 0.00 O ATOM 230 CB ASN A 15 6.772 -7.143 -9.420 1.00 0.00 C ATOM 231 CG ASN A 15 6.225 -8.336 -8.620 1.00 0.00 C ATOM 232 OD1 ASN A 15 6.230 -8.340 -7.386 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.703 -9.332 -9.318 1.00 0.00 N ATOM 0 H ASN A 15 4.437 -6.297 -9.118 1.00 0.00 H new ATOM 0 HA ASN A 15 6.955 -5.710 -7.803 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.354 -7.166 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.853 -7.245 -9.521 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.290 -10.131 -8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.713 -9.301 -10.337 1.00 0.00 H new ATOM 240 N ASP A 16 6.051 -3.810 -10.204 1.00 0.00 N ATOM 241 CA ASP A 16 6.379 -2.572 -10.957 1.00 0.00 C ATOM 242 C ASP A 16 6.589 -1.391 -9.986 1.00 0.00 C ATOM 243 O ASP A 16 7.172 -0.372 -10.364 1.00 0.00 O ATOM 244 CB ASP A 16 5.244 -2.230 -11.979 1.00 0.00 C ATOM 245 CG ASP A 16 5.569 -1.069 -12.952 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.666 -1.071 -13.551 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.726 -0.163 -13.143 1.00 0.00 O ATOM 0 H ASP A 16 5.051 -4.003 -10.156 1.00 0.00 H new ATOM 0 HA ASP A 16 7.303 -2.744 -11.508 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.021 -3.123 -12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.340 -1.978 -11.425 1.00 0.00 H new ATOM 252 N PHE A 17 6.102 -1.526 -8.731 1.00 0.00 N ATOM 253 CA PHE A 17 6.187 -0.452 -7.708 1.00 0.00 C ATOM 254 C PHE A 17 6.884 -0.982 -6.436 1.00 0.00 C ATOM 255 O PHE A 17 6.982 -2.195 -6.229 1.00 0.00 O ATOM 256 CB PHE A 17 4.762 0.097 -7.333 1.00 0.00 C ATOM 257 CG PHE A 17 3.720 0.060 -8.461 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.845 0.875 -9.574 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.628 -0.802 -8.404 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.918 0.836 -10.593 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.695 -0.839 -9.423 1.00 0.00 C ATOM 262 CZ PHE A 17 1.845 -0.024 -10.519 1.00 0.00 C ATOM 0 H PHE A 17 5.642 -2.374 -8.399 1.00 0.00 H new ATOM 0 HA PHE A 17 6.770 0.365 -8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.380 -0.480 -6.490 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.867 1.127 -6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.683 1.552 -9.644 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.508 -1.452 -7.550 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.033 1.481 -11.451 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.849 -1.508 -9.358 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.123 -0.058 -11.321 1.00 0.00 H new ATOM 272 N ILE A 18 7.380 -0.057 -5.604 1.00 0.00 N ATOM 273 CA ILE A 18 7.804 -0.350 -4.225 1.00 0.00 C ATOM 274 C ILE A 18 6.541 -0.340 -3.356 1.00 0.00 C ATOM 275 O ILE A 18 5.910 0.708 -3.205 1.00 0.00 O ATOM 276 CB ILE A 18 8.825 0.721 -3.692 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.060 0.847 -4.641 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.263 0.408 -2.235 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.003 1.985 -4.293 1.00 0.00 C ATOM 0 H ILE A 18 7.500 0.921 -5.868 1.00 0.00 H new ATOM 0 HA ILE A 18 8.308 -1.316 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 18 8.316 1.685 -3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.617 -0.090 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.706 0.984 -5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.969 1.167 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.389 0.409 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.740 -0.572 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.832 2.000 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.465 2.932 -4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.390 1.841 -3.284 1.00 0.00 H new ATOM 291 N VAL A 19 6.154 -1.495 -2.798 1.00 0.00 N ATOM 292 CA VAL A 19 4.833 -1.638 -2.170 1.00 0.00 C ATOM 293 C VAL A 19 4.930 -1.278 -0.672 1.00 0.00 C ATOM 294 O VAL A 19 5.978 -1.464 -0.047 1.00 0.00 O ATOM 295 CB VAL A 19 4.258 -3.096 -2.376 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.768 -3.185 -1.995 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.477 -3.589 -3.827 1.00 0.00 C ATOM 0 H VAL A 19 6.730 -2.336 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 19 4.138 -0.950 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 19 4.812 -3.751 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.413 -4.204 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.644 -2.914 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.192 -2.500 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.070 -4.594 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.971 -2.917 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.544 -3.603 -4.049 1.00 0.00 H new ATOM 307 N VAL A 20 3.843 -0.712 -0.128 1.00 0.00 N ATOM 308 CA VAL A 20 3.688 -0.397 1.309 1.00 0.00 C ATOM 309 C VAL A 20 2.346 -0.962 1.779 1.00 0.00 C ATOM 310 O VAL A 20 1.318 -0.700 1.153 1.00 0.00 O ATOM 311 CB VAL A 20 3.733 1.162 1.593 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.395 1.505 3.070 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.104 1.759 1.203 1.00 0.00 C ATOM 0 H VAL A 20 3.027 -0.453 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 20 4.520 -0.846 1.852 1.00 0.00 H new ATOM 0 HB VAL A 20 2.962 1.614 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.440 2.585 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.392 1.149 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.116 1.022 3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.106 2.829 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.890 1.276 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.284 1.593 0.141 1.00 0.00 H new ATOM 323 N ASP A 21 2.360 -1.751 2.864 1.00 0.00 N ATOM 324 CA ASP A 21 1.124 -2.246 3.485 1.00 0.00 C ATOM 325 C ASP A 21 0.693 -1.236 4.550 1.00 0.00 C ATOM 326 O ASP A 21 1.353 -1.136 5.581 1.00 0.00 O ATOM 327 CB ASP A 21 1.329 -3.656 4.127 1.00 0.00 C ATOM 328 CG ASP A 21 0.016 -4.466 4.247 1.00 0.00 C ATOM 329 OD1 ASP A 21 -1.051 -3.877 4.505 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.036 -5.693 3.981 1.00 0.00 O ATOM 0 H ASP A 21 3.214 -2.059 3.329 1.00 0.00 H new ATOM 0 HA ASP A 21 0.353 -2.352 2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.044 -4.221 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.767 -3.537 5.118 1.00 0.00 H new ATOM 335 N VAL A 22 -0.381 -0.465 4.271 1.00 0.00 N ATOM 336 CA VAL A 22 -0.906 0.540 5.222 1.00 0.00 C ATOM 337 C VAL A 22 -2.013 -0.070 6.106 1.00 0.00 C ATOM 338 O VAL A 22 -3.216 0.128 5.868 1.00 0.00 O ATOM 339 CB VAL A 22 -1.401 1.846 4.475 1.00 0.00 C ATOM 340 CG1 VAL A 22 -0.191 2.676 3.971 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.353 1.496 3.300 1.00 0.00 C ATOM 0 H VAL A 22 -0.901 -0.519 3.395 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.089 0.843 5.877 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.962 2.449 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.550 3.569 3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.429 2.967 4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.399 2.075 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.675 2.413 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.829 0.864 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.224 0.965 3.683 1.00 0.00 H new ATOM 351 N ARG A 23 -1.587 -0.815 7.149 1.00 0.00 N ATOM 352 CA ARG A 23 -2.511 -1.463 8.109 1.00 0.00 C ATOM 353 C ARG A 23 -1.863 -1.545 9.520 1.00 0.00 C ATOM 354 O ARG A 23 -1.961 -0.575 10.274 1.00 0.00 O ATOM 355 CB ARG A 23 -2.983 -2.871 7.622 1.00 0.00 C ATOM 356 CG ARG A 23 -3.898 -2.890 6.372 1.00 0.00 C ATOM 357 CD ARG A 23 -4.395 -4.302 6.010 1.00 0.00 C ATOM 358 NE ARG A 23 -3.303 -5.243 5.704 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.448 -6.547 5.425 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.633 -7.152 5.524 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.375 -7.259 5.107 1.00 0.00 N ATOM 0 H ARG A 23 -0.601 -0.984 7.350 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.403 -0.839 8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.100 -3.474 7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.512 -3.358 8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.757 -2.243 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.354 -2.474 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.984 -4.696 6.838 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.060 -4.236 5.149 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.354 -4.870 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.453 -6.622 5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.718 -8.145 5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.458 -6.814 5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.467 -8.252 4.892 1.00 0.00 H new ATOM 375 N GLU A 24 -1.166 -2.675 9.855 1.00 0.00 N ATOM 376 CA GLU A 24 -0.732 -2.997 11.264 1.00 0.00 C ATOM 377 C GLU A 24 0.358 -4.101 11.306 1.00 0.00 C ATOM 378 O GLU A 24 0.633 -4.778 10.319 1.00 0.00 O ATOM 379 CB GLU A 24 -1.962 -3.457 12.133 1.00 0.00 C ATOM 380 CG GLU A 24 -2.782 -2.314 12.773 1.00 0.00 C ATOM 381 CD GLU A 24 -4.125 -2.781 13.350 1.00 0.00 C ATOM 382 OE1 GLU A 24 -4.144 -3.359 14.459 1.00 0.00 O ATOM 383 OE2 GLU A 24 -5.170 -2.593 12.682 1.00 0.00 O ATOM 0 H GLU A 24 -0.890 -3.381 9.172 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.307 -2.081 11.675 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.626 -4.052 11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.601 -4.112 12.926 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.193 -1.854 13.567 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.964 -1.543 12.024 1.00 0.00 H new ATOM 390 N LEU A 25 0.958 -4.291 12.500 1.00 0.00 N ATOM 391 CA LEU A 25 1.897 -5.406 12.745 1.00 0.00 C ATOM 392 C LEU A 25 1.142 -6.754 12.738 1.00 0.00 C ATOM 393 O LEU A 25 1.654 -7.741 12.230 1.00 0.00 O ATOM 394 CB LEU A 25 2.644 -5.217 14.093 1.00 0.00 C ATOM 395 CG LEU A 25 3.562 -6.404 14.553 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.742 -6.627 13.584 1.00 0.00 C ATOM 397 CD2 LEU A 25 4.052 -6.213 16.009 1.00 0.00 C ATOM 0 H LEU A 25 0.809 -3.687 13.309 1.00 0.00 H new ATOM 0 HA LEU A 25 2.635 -5.410 11.943 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.257 -4.319 14.021 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.903 -5.036 14.872 1.00 0.00 H new ATOM 0 HG LEU A 25 2.952 -7.307 14.529 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.352 -7.457 13.939 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.358 -6.858 12.590 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.350 -5.724 13.537 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.685 -7.054 16.293 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.623 -5.288 16.082 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.193 -6.163 16.678 1.00 0.00 H new ATOM 409 N ASP A 26 -0.085 -6.754 13.290 1.00 0.00 N ATOM 410 CA ASP A 26 -0.936 -7.963 13.415 1.00 0.00 C ATOM 411 C ASP A 26 -1.129 -8.682 12.062 1.00 0.00 C ATOM 412 O ASP A 26 -0.946 -9.908 11.968 1.00 0.00 O ATOM 413 CB ASP A 26 -2.304 -7.567 14.023 1.00 0.00 C ATOM 414 CG ASP A 26 -3.310 -8.736 14.121 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.041 -9.705 14.869 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.368 -8.689 13.454 1.00 0.00 O ATOM 0 H ASP A 26 -0.521 -5.912 13.666 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.430 -8.667 14.076 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.142 -7.156 15.019 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.743 -6.773 13.418 1.00 0.00 H new ATOM 421 N GLU A 27 -1.471 -7.897 11.020 1.00 0.00 N ATOM 422 CA GLU A 27 -1.630 -8.420 9.651 1.00 0.00 C ATOM 423 C GLU A 27 -0.275 -8.835 9.073 1.00 0.00 C ATOM 424 O GLU A 27 -0.177 -9.871 8.428 1.00 0.00 O ATOM 425 CB GLU A 27 -2.373 -7.404 8.744 1.00 0.00 C ATOM 426 CG GLU A 27 -1.758 -5.983 8.660 1.00 0.00 C ATOM 427 CD GLU A 27 -0.606 -5.754 7.629 1.00 0.00 C ATOM 428 OE1 GLU A 27 -0.271 -6.667 6.849 1.00 0.00 O ATOM 429 OE2 GLU A 27 -0.056 -4.634 7.593 1.00 0.00 O ATOM 0 H GLU A 27 -1.643 -6.895 11.103 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.252 -9.314 9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.422 -7.816 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.399 -7.313 9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.560 -5.283 8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.381 -5.721 9.649 1.00 0.00 H new ATOM 436 N TYR A 28 0.770 -8.021 9.343 1.00 0.00 N ATOM 437 CA TYR A 28 2.155 -8.293 8.896 1.00 0.00 C ATOM 438 C TYR A 28 2.637 -9.696 9.355 1.00 0.00 C ATOM 439 O TYR A 28 3.407 -10.366 8.654 1.00 0.00 O ATOM 440 CB TYR A 28 3.072 -7.156 9.415 1.00 0.00 C ATOM 441 CG TYR A 28 4.574 -7.313 9.116 1.00 0.00 C ATOM 442 CD1 TYR A 28 5.113 -6.886 7.906 1.00 0.00 C ATOM 443 CD2 TYR A 28 5.445 -7.864 10.056 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.458 -7.009 7.641 1.00 0.00 C ATOM 445 CE2 TYR A 28 6.789 -7.987 9.799 1.00 0.00 C ATOM 446 CZ TYR A 28 7.295 -7.562 8.590 1.00 0.00 C ATOM 447 OH TYR A 28 8.640 -7.687 8.328 1.00 0.00 O ATOM 0 H TYR A 28 0.677 -7.157 9.877 1.00 0.00 H new ATOM 0 HA TYR A 28 2.194 -8.309 7.807 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.732 -6.215 8.982 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.943 -7.076 10.494 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.464 -6.450 7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.055 -8.201 11.005 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.857 -6.674 6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.446 -8.415 10.542 1.00 0.00 H new ATOM 0 HH TYR A 28 9.087 -8.094 9.099 1.00 0.00 H new ATOM 457 N GLU A 29 2.135 -10.128 10.523 1.00 0.00 N ATOM 458 CA GLU A 29 2.472 -11.429 11.127 1.00 0.00 C ATOM 459 C GLU A 29 1.682 -12.596 10.480 1.00 0.00 C ATOM 460 O GLU A 29 2.257 -13.660 10.212 1.00 0.00 O ATOM 461 CB GLU A 29 2.214 -11.375 12.661 1.00 0.00 C ATOM 462 CG GLU A 29 3.007 -10.297 13.433 1.00 0.00 C ATOM 463 CD GLU A 29 4.532 -10.497 13.428 1.00 0.00 C ATOM 464 OE1 GLU A 29 5.212 -9.979 12.518 1.00 0.00 O ATOM 465 OE2 GLU A 29 5.061 -11.167 14.347 1.00 0.00 O ATOM 0 H GLU A 29 1.479 -9.581 11.080 1.00 0.00 H new ATOM 0 HA GLU A 29 3.529 -11.622 10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.150 -11.206 12.827 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.452 -12.350 13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.780 -9.321 13.004 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.660 -10.279 14.466 1.00 0.00 H new ATOM 472 N GLU A 30 0.363 -12.402 10.238 1.00 0.00 N ATOM 473 CA GLU A 30 -0.518 -13.486 9.717 1.00 0.00 C ATOM 474 C GLU A 30 -0.400 -13.651 8.175 1.00 0.00 C ATOM 475 O GLU A 30 -0.222 -14.777 7.688 1.00 0.00 O ATOM 476 CB GLU A 30 -1.998 -13.274 10.164 1.00 0.00 C ATOM 477 CG GLU A 30 -2.615 -11.921 9.780 1.00 0.00 C ATOM 478 CD GLU A 30 -4.084 -11.765 10.205 1.00 0.00 C ATOM 479 OE1 GLU A 30 -4.338 -11.406 11.369 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.992 -12.008 9.379 1.00 0.00 O ATOM 0 H GLU A 30 -0.115 -11.514 10.392 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.170 -14.421 10.156 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.607 -14.068 9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.052 -13.384 11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.028 -11.123 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.544 -11.793 8.700 1.00 0.00 H new ATOM 487 N LEU A 31 -0.488 -12.533 7.418 1.00 0.00 N ATOM 488 CA LEU A 31 -0.359 -12.533 5.935 1.00 0.00 C ATOM 489 C LEU A 31 -0.199 -11.094 5.387 1.00 0.00 C ATOM 490 O LEU A 31 -0.947 -10.183 5.777 1.00 0.00 O ATOM 491 CB LEU A 31 -1.552 -13.263 5.214 1.00 0.00 C ATOM 492 CG LEU A 31 -2.901 -12.487 4.972 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.883 -13.330 4.134 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.579 -12.027 6.274 1.00 0.00 C ATOM 0 H LEU A 31 -0.650 -11.606 7.813 1.00 0.00 H new ATOM 0 HA LEU A 31 0.544 -13.100 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.190 -13.600 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.788 -14.155 5.794 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.632 -11.588 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.806 -12.770 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.434 -13.558 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.105 -14.259 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.503 -11.499 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.806 -12.895 6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.909 -11.360 6.817 1.00 0.00 H new ATOM 506 N HIS A 32 0.779 -10.899 4.483 1.00 0.00 N ATOM 507 CA HIS A 32 0.947 -9.623 3.741 1.00 0.00 C ATOM 508 C HIS A 32 1.803 -9.875 2.483 1.00 0.00 C ATOM 509 O HIS A 32 2.230 -11.006 2.242 1.00 0.00 O ATOM 510 CB HIS A 32 1.573 -8.510 4.645 1.00 0.00 C ATOM 511 CG HIS A 32 3.021 -8.701 4.993 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.476 -9.703 5.816 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.124 -8.023 4.593 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.783 -9.630 5.899 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.198 -8.627 5.164 1.00 0.00 N ATOM 0 H HIS A 32 1.471 -11.609 4.244 1.00 0.00 H new ATOM 0 HA HIS A 32 -0.035 -9.261 3.436 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.462 -7.550 4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.999 -8.452 5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.145 -7.162 3.941 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.414 -10.288 6.478 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.171 -8.346 5.041 1.00 0.00 H new ATOM 524 N LEU A 33 2.040 -8.825 1.679 1.00 0.00 N ATOM 525 CA LEU A 33 2.917 -8.914 0.486 1.00 0.00 C ATOM 526 C LEU A 33 4.405 -8.849 0.893 1.00 0.00 C ATOM 527 O LEU A 33 4.770 -8.023 1.722 1.00 0.00 O ATOM 528 CB LEU A 33 2.599 -7.774 -0.509 1.00 0.00 C ATOM 529 CG LEU A 33 1.254 -7.901 -1.270 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.896 -6.582 -1.976 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.280 -9.081 -2.277 1.00 0.00 C ATOM 0 H LEU A 33 1.638 -7.900 1.829 1.00 0.00 H new ATOM 0 HA LEU A 33 2.727 -9.872 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.599 -6.830 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.405 -7.720 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 33 0.478 -8.114 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.051 -6.697 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.806 -5.786 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.679 -6.327 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.321 -9.141 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.075 -8.920 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.462 -10.013 -1.741 1.00 0.00 H new ATOM 543 N PRO A 34 5.291 -9.680 0.263 1.00 0.00 N ATOM 544 CA PRO A 34 6.734 -9.733 0.616 1.00 0.00 C ATOM 545 C PRO A 34 7.500 -8.450 0.204 1.00 0.00 C ATOM 546 O PRO A 34 8.591 -8.186 0.713 1.00 0.00 O ATOM 547 CB PRO A 34 7.231 -10.978 -0.158 1.00 0.00 C ATOM 548 CG PRO A 34 6.316 -11.071 -1.343 1.00 0.00 C ATOM 549 CD PRO A 34 4.962 -10.616 -0.851 1.00 0.00 C ATOM 0 HA PRO A 34 6.901 -9.796 1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.270 -10.865 -0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.177 -11.876 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.668 -10.441 -2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.271 -12.091 -1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.395 -10.119 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.358 -11.455 -0.505 1.00 0.00 H new ATOM 557 N ASN A 35 6.906 -7.660 -0.717 1.00 0.00 N ATOM 558 CA ASN A 35 7.477 -6.379 -1.194 1.00 0.00 C ATOM 559 C ASN A 35 6.799 -5.170 -0.506 1.00 0.00 C ATOM 560 O ASN A 35 7.038 -4.014 -0.898 1.00 0.00 O ATOM 561 CB ASN A 35 7.315 -6.264 -2.738 1.00 0.00 C ATOM 562 CG ASN A 35 7.987 -7.411 -3.504 1.00 0.00 C ATOM 563 OD1 ASN A 35 9.179 -7.358 -3.806 1.00 0.00 O ATOM 564 ND2 ASN A 35 7.224 -8.445 -3.832 1.00 0.00 N ATOM 0 H ASN A 35 6.014 -7.893 -1.153 1.00 0.00 H new ATOM 0 HA ASN A 35 8.536 -6.368 -0.937 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.254 -6.244 -2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.738 -5.316 -3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.622 -9.228 -4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.239 -8.457 -3.566 1.00 0.00 H new ATOM 571 N ALA A 36 5.958 -5.442 0.521 1.00 0.00 N ATOM 572 CA ALA A 36 5.176 -4.405 1.228 1.00 0.00 C ATOM 573 C ALA A 36 5.872 -3.970 2.529 1.00 0.00 C ATOM 574 O ALA A 36 6.147 -4.805 3.401 1.00 0.00 O ATOM 575 CB ALA A 36 3.754 -4.902 1.516 1.00 0.00 C ATOM 0 H ALA A 36 5.805 -6.384 0.880 1.00 0.00 H new ATOM 0 HA ALA A 36 5.113 -3.534 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.195 -4.124 2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.255 -5.141 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.800 -5.795 2.140 1.00 0.00 H new ATOM 581 N THR A 37 6.147 -2.657 2.637 1.00 0.00 N ATOM 582 CA THR A 37 6.746 -2.036 3.826 1.00 0.00 C ATOM 583 C THR A 37 5.675 -1.874 4.927 1.00 0.00 C ATOM 584 O THR A 37 4.598 -1.326 4.666 1.00 0.00 O ATOM 585 CB THR A 37 7.354 -0.638 3.455 1.00 0.00 C ATOM 586 OG1 THR A 37 8.289 -0.794 2.372 1.00 0.00 O ATOM 587 CG2 THR A 37 8.061 0.043 4.645 1.00 0.00 C ATOM 0 H THR A 37 5.955 -1.991 1.889 1.00 0.00 H new ATOM 0 HA THR A 37 7.545 -2.677 4.199 1.00 0.00 H new ATOM 0 HB THR A 37 6.524 0.005 3.161 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.537 0.088 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.461 1.006 4.328 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.346 0.196 5.454 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.876 -0.591 4.995 1.00 0.00 H new ATOM 595 N LEU A 38 5.975 -2.388 6.137 1.00 0.00 N ATOM 596 CA LEU A 38 5.092 -2.273 7.316 1.00 0.00 C ATOM 597 C LEU A 38 4.995 -0.785 7.734 1.00 0.00 C ATOM 598 O LEU A 38 5.955 -0.221 8.272 1.00 0.00 O ATOM 599 CB LEU A 38 5.653 -3.132 8.506 1.00 0.00 C ATOM 600 CG LEU A 38 4.635 -3.704 9.569 1.00 0.00 C ATOM 601 CD1 LEU A 38 5.373 -4.187 10.837 1.00 0.00 C ATOM 602 CD2 LEU A 38 3.494 -2.737 9.944 1.00 0.00 C ATOM 0 H LEU A 38 6.839 -2.896 6.325 1.00 0.00 H new ATOM 0 HA LEU A 38 4.100 -2.647 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.195 -3.976 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.382 -2.522 9.040 1.00 0.00 H new ATOM 0 HG LEU A 38 4.156 -4.552 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.649 -4.576 11.553 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.078 -4.974 10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.913 -3.352 11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.843 -3.210 10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.915 -1.824 10.366 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.917 -2.492 9.052 1.00 0.00 H new ATOM 614 N ILE A 39 3.852 -0.160 7.428 1.00 0.00 N ATOM 615 CA ILE A 39 3.481 1.182 7.926 1.00 0.00 C ATOM 616 C ILE A 39 1.982 1.152 8.264 1.00 0.00 C ATOM 617 O ILE A 39 1.202 0.516 7.571 1.00 0.00 O ATOM 618 CB ILE A 39 3.792 2.331 6.870 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.332 2.412 6.562 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.267 3.714 7.351 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.747 3.395 5.476 1.00 0.00 C ATOM 0 H ILE A 39 3.145 -0.573 6.820 1.00 0.00 H new ATOM 0 HA ILE A 39 4.079 1.414 8.808 1.00 0.00 H new ATOM 0 HB ILE A 39 3.265 2.073 5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.852 2.678 7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.677 1.419 6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.499 4.472 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.188 3.664 7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.746 3.977 8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.829 3.364 5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.266 3.124 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.443 4.402 5.762 1.00 0.00 H new ATOM 633 N SER A 40 1.579 1.808 9.345 1.00 0.00 N ATOM 634 CA SER A 40 0.151 1.928 9.689 1.00 0.00 C ATOM 635 C SER A 40 -0.407 3.232 9.084 1.00 0.00 C ATOM 636 O SER A 40 0.321 4.218 8.969 1.00 0.00 O ATOM 637 CB SER A 40 -0.032 1.867 11.217 1.00 0.00 C ATOM 638 OG SER A 40 0.456 0.640 11.739 1.00 0.00 O ATOM 0 H SER A 40 2.211 2.266 10.002 1.00 0.00 H new ATOM 0 HA SER A 40 -0.411 1.094 9.268 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.494 2.700 11.683 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.088 1.978 11.465 1.00 0.00 H new ATOM 0 HG SER A 40 0.330 0.625 12.711 1.00 0.00 H new ATOM 644 N VAL A 41 -1.693 3.210 8.670 1.00 0.00 N ATOM 645 CA VAL A 41 -2.381 4.369 8.035 1.00 0.00 C ATOM 646 C VAL A 41 -2.337 5.652 8.920 1.00 0.00 C ATOM 647 O VAL A 41 -2.310 6.765 8.393 1.00 0.00 O ATOM 648 CB VAL A 41 -3.872 3.984 7.643 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.665 3.465 8.863 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.628 5.149 6.934 1.00 0.00 C ATOM 0 H VAL A 41 -2.290 2.388 8.765 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.834 4.610 7.123 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.798 3.172 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.680 3.212 8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.175 2.578 9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.700 4.239 9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.641 4.830 6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.670 6.013 7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.102 5.420 6.019 1.00 0.00 H new ATOM 660 N ASN A 42 -2.287 5.485 10.265 1.00 0.00 N ATOM 661 CA ASN A 42 -2.206 6.628 11.219 1.00 0.00 C ATOM 662 C ASN A 42 -0.785 7.245 11.283 1.00 0.00 C ATOM 663 O ASN A 42 -0.628 8.397 11.704 1.00 0.00 O ATOM 664 CB ASN A 42 -2.665 6.207 12.652 1.00 0.00 C ATOM 665 CG ASN A 42 -1.638 5.394 13.469 1.00 0.00 C ATOM 666 OD1 ASN A 42 -1.535 5.562 14.681 1.00 0.00 O ATOM 667 ND2 ASN A 42 -0.911 4.486 12.838 1.00 0.00 N ATOM 0 H ASN A 42 -2.301 4.571 10.717 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.885 7.391 10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.918 7.107 13.212 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.579 5.620 12.563 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.250 3.910 13.359 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.012 4.362 11.831 1.00 0.00 H new ATOM 674 N ASP A 43 0.238 6.459 10.884 1.00 0.00 N ATOM 675 CA ASP A 43 1.655 6.880 10.933 1.00 0.00 C ATOM 676 C ASP A 43 1.953 7.865 9.791 1.00 0.00 C ATOM 677 O ASP A 43 2.435 7.463 8.727 1.00 0.00 O ATOM 678 CB ASP A 43 2.631 5.659 10.836 1.00 0.00 C ATOM 679 CG ASP A 43 2.490 4.591 11.933 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.033 4.903 13.054 1.00 0.00 O ATOM 681 OD2 ASP A 43 2.896 3.428 11.692 1.00 0.00 O ATOM 0 H ASP A 43 0.105 5.516 10.519 1.00 0.00 H new ATOM 0 HA ASP A 43 1.817 7.366 11.895 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.484 5.179 9.869 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.654 6.035 10.853 1.00 0.00 H new ATOM 686 N GLN A 44 1.628 9.152 9.998 1.00 0.00 N ATOM 687 CA GLN A 44 1.943 10.208 9.022 1.00 0.00 C ATOM 688 C GLN A 44 3.459 10.462 8.992 1.00 0.00 C ATOM 689 O GLN A 44 4.017 10.676 7.925 1.00 0.00 O ATOM 690 CB GLN A 44 1.153 11.529 9.313 1.00 0.00 C ATOM 691 CG GLN A 44 -0.267 11.600 8.696 1.00 0.00 C ATOM 692 CD GLN A 44 -1.259 10.570 9.251 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.960 10.824 10.230 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.332 9.406 8.628 1.00 0.00 N ATOM 0 H GLN A 44 1.147 9.486 10.833 1.00 0.00 H new ATOM 0 HA GLN A 44 1.625 9.863 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.069 11.652 10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.736 12.371 8.940 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.671 12.599 8.861 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.187 11.463 7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.739 9.223 7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.982 8.692 8.957 1.00 0.00 H new ATOM 703 N GLU A 45 4.114 10.402 10.171 1.00 0.00 N ATOM 704 CA GLU A 45 5.563 10.671 10.304 1.00 0.00 C ATOM 705 C GLU A 45 6.429 9.583 9.628 1.00 0.00 C ATOM 706 O GLU A 45 7.454 9.903 9.036 1.00 0.00 O ATOM 707 CB GLU A 45 5.969 10.904 11.800 1.00 0.00 C ATOM 708 CG GLU A 45 5.337 9.956 12.852 1.00 0.00 C ATOM 709 CD GLU A 45 5.785 8.491 12.762 1.00 0.00 C ATOM 710 OE1 GLU A 45 6.987 8.211 12.963 1.00 0.00 O ATOM 711 OE2 GLU A 45 4.945 7.623 12.456 1.00 0.00 O ATOM 0 H GLU A 45 3.657 10.167 11.052 1.00 0.00 H new ATOM 0 HA GLU A 45 5.764 11.598 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.053 10.820 11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.710 11.929 12.067 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.576 10.332 13.847 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.253 9.995 12.748 1.00 0.00 H new ATOM 718 N LYS A 46 6.009 8.306 9.729 1.00 0.00 N ATOM 719 CA LYS A 46 6.757 7.156 9.169 1.00 0.00 C ATOM 720 C LYS A 46 6.503 7.045 7.664 1.00 0.00 C ATOM 721 O LYS A 46 7.421 6.789 6.881 1.00 0.00 O ATOM 722 CB LYS A 46 6.359 5.840 9.899 1.00 0.00 C ATOM 723 CG LYS A 46 7.024 4.522 9.400 1.00 0.00 C ATOM 724 CD LYS A 46 8.590 4.483 9.509 1.00 0.00 C ATOM 725 CE LYS A 46 9.315 4.730 8.166 1.00 0.00 C ATOM 726 NZ LYS A 46 10.795 4.635 8.286 1.00 0.00 N ATOM 0 H LYS A 46 5.144 8.040 10.200 1.00 0.00 H new ATOM 0 HA LYS A 46 7.823 7.319 9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.592 5.957 10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.278 5.724 9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.615 3.688 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.744 4.364 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.914 5.234 10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.894 3.513 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.967 4.004 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.048 5.718 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.226 5.535 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.051 4.433 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.144 3.870 7.675 1.00 0.00 H new ATOM 740 N LEU A 47 5.253 7.269 7.269 1.00 0.00 N ATOM 741 CA LEU A 47 4.848 7.170 5.859 1.00 0.00 C ATOM 742 C LEU A 47 5.536 8.270 5.033 1.00 0.00 C ATOM 743 O LEU A 47 6.118 8.005 3.980 1.00 0.00 O ATOM 744 CB LEU A 47 3.317 7.272 5.759 1.00 0.00 C ATOM 745 CG LEU A 47 2.677 6.966 4.373 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.085 5.570 3.827 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.148 7.094 4.473 1.00 0.00 C ATOM 0 H LEU A 47 4.496 7.522 7.904 1.00 0.00 H new ATOM 0 HA LEU A 47 5.158 6.207 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.884 6.590 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.025 8.280 6.052 1.00 0.00 H new ATOM 0 HG LEU A 47 3.056 7.697 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.612 5.406 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.168 5.526 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.761 4.798 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.701 6.880 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.771 6.386 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.887 8.108 4.777 1.00 0.00 H new ATOM 759 N ALA A 48 5.505 9.494 5.583 1.00 0.00 N ATOM 760 CA ALA A 48 6.135 10.673 4.982 1.00 0.00 C ATOM 761 C ALA A 48 7.664 10.562 5.008 1.00 0.00 C ATOM 762 O ALA A 48 8.310 11.031 4.090 1.00 0.00 O ATOM 763 CB ALA A 48 5.676 11.938 5.701 1.00 0.00 C ATOM 0 H ALA A 48 5.036 9.692 6.467 1.00 0.00 H new ATOM 0 HA ALA A 48 5.825 10.728 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.150 12.808 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.593 12.031 5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.956 11.881 6.753 1.00 0.00 H new ATOM 769 N ASP A 49 8.216 9.935 6.076 1.00 0.00 N ATOM 770 CA ASP A 49 9.669 9.642 6.203 1.00 0.00 C ATOM 771 C ASP A 49 10.151 8.769 5.034 1.00 0.00 C ATOM 772 O ASP A 49 11.147 9.089 4.384 1.00 0.00 O ATOM 773 CB ASP A 49 9.959 8.922 7.552 1.00 0.00 C ATOM 774 CG ASP A 49 11.409 8.425 7.713 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.284 9.231 8.077 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.677 7.231 7.456 1.00 0.00 O ATOM 0 H ASP A 49 7.668 9.617 6.875 1.00 0.00 H new ATOM 0 HA ASP A 49 10.210 10.588 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.729 9.605 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.284 8.071 7.648 1.00 0.00 H new ATOM 781 N PHE A 50 9.402 7.684 4.779 1.00 0.00 N ATOM 782 CA PHE A 50 9.695 6.709 3.709 1.00 0.00 C ATOM 783 C PHE A 50 9.678 7.393 2.324 1.00 0.00 C ATOM 784 O PHE A 50 10.492 7.083 1.441 1.00 0.00 O ATOM 785 CB PHE A 50 8.658 5.554 3.772 1.00 0.00 C ATOM 786 CG PHE A 50 8.897 4.426 2.761 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.909 3.486 2.972 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.118 4.307 1.607 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.135 2.470 2.061 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.350 3.293 0.699 1.00 0.00 C ATOM 791 CZ PHE A 50 9.353 2.370 0.929 1.00 0.00 C ATOM 0 H PHE A 50 8.565 7.454 5.315 1.00 0.00 H new ATOM 0 HA PHE A 50 10.694 6.300 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.665 5.131 4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.663 5.967 3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.523 3.554 3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.325 5.017 1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.925 1.754 2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.746 3.221 -0.193 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.524 1.571 0.223 1.00 0.00 H new ATOM 801 N LEU A 51 8.736 8.326 2.159 1.00 0.00 N ATOM 802 CA LEU A 51 8.574 9.118 0.929 1.00 0.00 C ATOM 803 C LEU A 51 9.574 10.298 0.863 1.00 0.00 C ATOM 804 O LEU A 51 9.822 10.834 -0.213 1.00 0.00 O ATOM 805 CB LEU A 51 7.115 9.613 0.821 1.00 0.00 C ATOM 806 CG LEU A 51 6.014 8.500 0.838 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.608 9.116 0.859 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.156 7.507 -0.339 1.00 0.00 C ATOM 0 H LEU A 51 8.055 8.558 2.882 1.00 0.00 H new ATOM 0 HA LEU A 51 8.796 8.476 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.923 10.300 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.013 10.185 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 51 6.160 7.931 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.863 8.321 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.494 9.733 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.467 9.732 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.368 6.756 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.072 8.047 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.128 7.017 -0.286 1.00 0.00 H new ATOM 820 N SER A 52 10.096 10.721 2.027 1.00 0.00 N ATOM 821 CA SER A 52 11.066 11.834 2.136 1.00 0.00 C ATOM 822 C SER A 52 12.504 11.369 1.819 1.00 0.00 C ATOM 823 O SER A 52 13.347 12.195 1.469 1.00 0.00 O ATOM 824 CB SER A 52 11.004 12.459 3.549 1.00 0.00 C ATOM 825 OG SER A 52 11.797 13.633 3.652 1.00 0.00 O ATOM 0 H SER A 52 9.858 10.301 2.926 1.00 0.00 H new ATOM 0 HA SER A 52 10.792 12.588 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.969 12.699 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.343 11.728 4.283 1.00 0.00 H new ATOM 0 HG SER A 52 11.728 13.996 4.560 1.00 0.00 H new ATOM 831 N GLN A 53 12.769 10.043 1.967 1.00 0.00 N ATOM 832 CA GLN A 53 14.084 9.415 1.636 1.00 0.00 C ATOM 833 C GLN A 53 14.488 9.737 0.177 1.00 0.00 C ATOM 834 O GLN A 53 15.633 10.089 -0.126 1.00 0.00 O ATOM 835 CB GLN A 53 14.002 7.864 1.818 1.00 0.00 C ATOM 836 CG GLN A 53 13.572 7.388 3.221 1.00 0.00 C ATOM 837 CD GLN A 53 14.478 7.874 4.359 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.684 8.038 4.185 1.00 0.00 O ATOM 839 NE2 GLN A 53 13.903 8.130 5.524 1.00 0.00 N ATOM 0 H GLN A 53 12.080 9.378 2.318 1.00 0.00 H new ATOM 0 HA GLN A 53 14.835 9.822 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.300 7.465 1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.978 7.436 1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.555 7.730 3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.549 6.298 3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.900 7.985 5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.463 8.472 6.305 1.00 0.00 H new ATOM 848 N HIS A 54 13.480 9.605 -0.675 1.00 0.00 N ATOM 849 CA HIS A 54 13.481 9.901 -2.102 1.00 0.00 C ATOM 850 C HIS A 54 12.014 10.126 -2.417 1.00 0.00 C ATOM 851 O HIS A 54 11.208 9.270 -2.088 1.00 0.00 O ATOM 852 CB HIS A 54 14.051 8.723 -2.967 1.00 0.00 C ATOM 853 CG HIS A 54 15.562 8.697 -3.080 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.386 8.085 -2.156 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.392 9.228 -4.013 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.645 8.246 -2.513 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.677 8.934 -3.637 1.00 0.00 N ATOM 0 H HIS A 54 12.571 9.262 -0.363 1.00 0.00 H new ATOM 0 HA HIS A 54 14.120 10.753 -2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.716 7.779 -2.538 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.626 8.786 -3.969 1.00 0.00 H new ATOM 0 HD2 HIS A 54 16.094 9.781 -4.891 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.505 7.876 -1.975 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.520 9.204 -4.144 1.00 0.00 H new ATOM 866 N LYS A 55 11.661 11.303 -2.919 1.00 0.00 N ATOM 867 CA LYS A 55 10.284 11.584 -3.391 1.00 0.00 C ATOM 868 C LYS A 55 10.047 10.955 -4.769 1.00 0.00 C ATOM 869 O LYS A 55 8.978 10.393 -5.039 1.00 0.00 O ATOM 870 CB LYS A 55 10.017 13.101 -3.461 1.00 0.00 C ATOM 871 CG LYS A 55 10.074 13.842 -2.104 1.00 0.00 C ATOM 872 CD LYS A 55 9.637 15.323 -2.237 1.00 0.00 C ATOM 873 CE LYS A 55 8.215 15.465 -2.818 1.00 0.00 C ATOM 874 NZ LYS A 55 7.843 16.875 -3.073 1.00 0.00 N ATOM 0 H LYS A 55 12.302 12.090 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 55 9.594 11.143 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.746 13.552 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.034 13.261 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.428 13.336 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.088 13.797 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.676 15.800 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.343 15.852 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.149 14.902 -3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.498 15.023 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.808 16.971 -3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.265 17.483 -2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.195 17.163 -4.008 1.00 0.00 H new ATOM 888 N ASP A 56 11.070 11.064 -5.627 1.00 0.00 N ATOM 889 CA ASP A 56 11.044 10.557 -7.002 1.00 0.00 C ATOM 890 C ASP A 56 11.309 9.033 -7.019 1.00 0.00 C ATOM 891 O ASP A 56 12.435 8.573 -7.254 1.00 0.00 O ATOM 892 CB ASP A 56 12.068 11.342 -7.870 1.00 0.00 C ATOM 893 CG ASP A 56 12.147 10.859 -9.336 1.00 0.00 C ATOM 894 OD1 ASP A 56 11.121 10.927 -10.056 1.00 0.00 O ATOM 895 OD2 ASP A 56 13.230 10.406 -9.770 1.00 0.00 O ATOM 0 H ASP A 56 11.951 11.514 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 56 10.055 10.714 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.803 12.399 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.055 11.257 -7.416 1.00 0.00 H new ATOM 900 N LYS A 57 10.255 8.275 -6.686 1.00 0.00 N ATOM 901 CA LYS A 57 10.216 6.805 -6.793 1.00 0.00 C ATOM 902 C LYS A 57 8.729 6.372 -6.860 1.00 0.00 C ATOM 903 O LYS A 57 7.849 7.063 -6.314 1.00 0.00 O ATOM 904 CB LYS A 57 10.981 6.092 -5.617 1.00 0.00 C ATOM 905 CG LYS A 57 10.238 5.945 -4.266 1.00 0.00 C ATOM 906 CD LYS A 57 9.732 7.277 -3.695 1.00 0.00 C ATOM 907 CE LYS A 57 9.065 7.136 -2.323 1.00 0.00 C ATOM 908 NZ LYS A 57 9.996 6.614 -1.286 1.00 0.00 N ATOM 0 H LYS A 57 9.387 8.672 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 57 10.737 6.496 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.264 5.095 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.905 6.641 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.392 5.271 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.907 5.479 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.569 7.971 -3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.020 7.716 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.683 8.107 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.208 6.468 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.528 6.633 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.262 5.636 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.850 7.207 -1.255 1.00 0.00 H new ATOM 922 N LYS A 58 8.446 5.254 -7.524 1.00 0.00 N ATOM 923 CA LYS A 58 7.070 4.789 -7.742 1.00 0.00 C ATOM 924 C LYS A 58 6.656 3.838 -6.604 1.00 0.00 C ATOM 925 O LYS A 58 7.045 2.675 -6.593 1.00 0.00 O ATOM 926 CB LYS A 58 6.966 4.124 -9.132 1.00 0.00 C ATOM 927 CG LYS A 58 5.534 4.083 -9.697 1.00 0.00 C ATOM 928 CD LYS A 58 5.508 3.901 -11.226 1.00 0.00 C ATOM 929 CE LYS A 58 6.198 2.606 -11.694 1.00 0.00 C ATOM 930 NZ LYS A 58 6.171 2.466 -13.171 1.00 0.00 N ATOM 0 H LYS A 58 9.158 4.644 -7.926 1.00 0.00 H new ATOM 0 HA LYS A 58 6.378 5.631 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.607 4.662 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.350 3.106 -9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.985 3.267 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.017 5.006 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.473 3.898 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.996 4.755 -11.696 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.232 2.600 -11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.705 1.747 -11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.680 1.586 -13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.669 3.276 -13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.145 2.438 -13.535 1.00 0.00 H new ATOM 944 N VAL A 59 5.923 4.380 -5.606 1.00 0.00 N ATOM 945 CA VAL A 59 5.441 3.615 -4.430 1.00 0.00 C ATOM 946 C VAL A 59 3.917 3.449 -4.475 1.00 0.00 C ATOM 947 O VAL A 59 3.189 4.373 -4.858 1.00 0.00 O ATOM 948 CB VAL A 59 5.898 4.294 -3.071 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.121 3.779 -1.834 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.408 4.079 -2.855 1.00 0.00 C ATOM 0 H VAL A 59 5.648 5.362 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 59 5.893 2.624 -4.471 1.00 0.00 H new ATOM 0 HB VAL A 59 5.673 5.356 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.484 4.285 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.058 3.984 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.273 2.705 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.712 4.549 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.621 3.011 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.961 4.525 -3.682 1.00 0.00 H new ATOM 960 N LEU A 60 3.463 2.250 -4.068 1.00 0.00 N ATOM 961 CA LEU A 60 2.047 1.875 -4.040 1.00 0.00 C ATOM 962 C LEU A 60 1.614 1.506 -2.604 1.00 0.00 C ATOM 963 O LEU A 60 2.063 0.497 -2.059 1.00 0.00 O ATOM 964 CB LEU A 60 1.818 0.662 -4.972 1.00 0.00 C ATOM 965 CG LEU A 60 0.340 0.193 -5.109 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.493 1.206 -5.911 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.263 -1.210 -5.731 1.00 0.00 C ATOM 0 H LEU A 60 4.083 1.507 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 60 1.452 2.723 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.195 0.911 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.414 -0.174 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.087 0.137 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.521 0.851 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.480 2.170 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.070 1.316 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.780 -1.514 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.718 -1.194 -6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.797 -1.919 -5.098 1.00 0.00 H new ATOM 979 N LEU A 61 0.740 2.327 -2.010 1.00 0.00 N ATOM 980 CA LEU A 61 0.140 2.060 -0.686 1.00 0.00 C ATOM 981 C LEU A 61 -1.071 1.126 -0.870 1.00 0.00 C ATOM 982 O LEU A 61 -2.113 1.570 -1.326 1.00 0.00 O ATOM 983 CB LEU A 61 -0.305 3.396 0.000 1.00 0.00 C ATOM 984 CG LEU A 61 0.813 4.313 0.610 1.00 0.00 C ATOM 985 CD1 LEU A 61 1.894 4.699 -0.417 1.00 0.00 C ATOM 986 CD2 LEU A 61 0.181 5.582 1.228 1.00 0.00 C ATOM 0 H LEU A 61 0.424 3.201 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 61 0.880 1.584 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.855 3.983 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.005 3.146 0.797 1.00 0.00 H new ATOM 0 HG LEU A 61 1.311 3.735 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.640 5.333 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.374 3.797 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.434 5.240 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.965 6.211 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.353 6.135 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.515 5.295 2.016 1.00 0.00 H new ATOM 998 N HIS A 62 -0.924 -0.172 -0.566 1.00 0.00 N ATOM 999 CA HIS A 62 -2.024 -1.150 -0.730 1.00 0.00 C ATOM 1000 C HIS A 62 -2.783 -1.344 0.597 1.00 0.00 C ATOM 1001 O HIS A 62 -2.176 -1.331 1.677 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.499 -2.508 -1.291 1.00 0.00 C ATOM 1003 CG HIS A 62 -1.006 -3.504 -0.268 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.821 -4.461 0.286 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.208 -3.706 0.279 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -1.131 -5.202 1.112 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.108 -4.772 1.126 1.00 0.00 N ATOM 0 H HIS A 62 -0.059 -0.574 -0.206 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.725 -0.749 -1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.299 -2.974 -1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.686 -2.300 -1.987 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.100 -3.129 0.083 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.517 -6.031 1.687 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.869 -5.168 1.677 1.00 0.00 H new ATOM 1016 N CYS A 63 -4.109 -1.539 0.493 1.00 0.00 N ATOM 1017 CA CYS A 63 -5.008 -1.748 1.661 1.00 0.00 C ATOM 1018 C CYS A 63 -5.791 -3.071 1.542 1.00 0.00 C ATOM 1019 O CYS A 63 -5.868 -3.653 0.458 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.969 -0.555 1.801 1.00 0.00 C ATOM 1021 SG CYS A 63 -7.251 -0.747 3.056 1.00 0.00 S ATOM 0 H CYS A 63 -4.597 -1.558 -0.402 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.393 -1.815 2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.386 0.336 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.449 -0.380 0.838 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.698 -0.981 4.209 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.278 -3.565 2.710 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.185 -4.739 2.826 1.00 0.00 C ATOM 1029 C ARG A 64 -8.398 -4.600 1.872 1.00 0.00 C ATOM 1030 O ARG A 64 -8.790 -5.567 1.211 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.644 -4.881 4.322 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.234 -6.253 4.765 1.00 0.00 C ATOM 1033 CD ARG A 64 -9.700 -6.479 4.375 1.00 0.00 C ATOM 1034 NE ARG A 64 -10.607 -5.497 4.999 1.00 0.00 N ATOM 1035 CZ ARG A 64 -11.728 -5.005 4.438 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -12.111 -5.392 3.229 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -12.473 -4.135 5.102 1.00 0.00 N ATOM 0 H ARG A 64 -6.048 -3.152 3.614 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.652 -5.642 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.787 -4.662 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.393 -4.113 4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.630 -7.050 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.143 -6.339 5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.797 -6.422 3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.000 -7.485 4.669 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.365 -5.163 5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.554 -6.071 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.963 -5.010 2.817 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.198 -3.838 6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.322 -3.762 4.677 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.979 -3.382 1.824 1.00 0.00 N ATOM 1052 CA ALA A 65 -10.098 -3.044 0.914 1.00 0.00 C ATOM 1053 C ALA A 65 -9.651 -1.981 -0.112 1.00 0.00 C ATOM 1054 O ALA A 65 -9.617 -2.246 -1.319 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.308 -2.538 1.719 1.00 0.00 C ATOM 0 H ALA A 65 -8.686 -2.604 2.415 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.393 -3.944 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.122 -2.294 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.635 -3.314 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.025 -1.647 2.280 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.303 -0.767 0.386 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.830 0.320 -0.484 1.00 0.00 C ATOM 1063 C GLY A 66 -8.884 1.713 0.145 1.00 0.00 C ATOM 1064 O GLY A 66 -8.173 2.620 -0.312 1.00 0.00 O ATOM 0 H GLY A 66 -9.343 -0.526 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.802 0.109 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.429 0.324 -1.395 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.728 1.899 1.181 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.925 3.225 1.818 1.00 0.00 C ATOM 1070 C ARG A 67 -8.675 3.671 2.604 1.00 0.00 C ATOM 1071 O ARG A 67 -8.299 4.837 2.528 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.191 3.237 2.731 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.365 4.509 3.604 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.445 5.825 2.790 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.114 6.993 3.630 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.140 8.273 3.234 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -11.598 8.608 2.038 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.710 9.225 4.046 1.00 0.00 N ATOM 0 H ARG A 67 -10.284 1.152 1.596 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.084 3.945 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.074 3.124 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.154 2.368 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.272 4.407 4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.530 4.575 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.758 5.775 1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.448 5.941 2.379 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.842 6.810 4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.938 7.887 1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.611 9.587 1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.359 8.985 4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.730 10.199 3.745 1.00 0.00 H new ATOM 1092 N ARG A 68 -8.036 2.747 3.345 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.822 3.078 4.138 1.00 0.00 C ATOM 1094 C ARG A 68 -5.643 3.428 3.213 1.00 0.00 C ATOM 1095 O ARG A 68 -4.755 4.194 3.589 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.435 1.913 5.079 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.539 1.506 6.073 1.00 0.00 C ATOM 1098 CD ARG A 68 -8.013 2.672 6.969 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.993 2.230 7.985 1.00 0.00 N ATOM 1100 CZ ARG A 68 -9.673 3.030 8.826 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -9.531 4.350 8.794 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -10.496 2.488 9.714 1.00 0.00 N ATOM 0 H ARG A 68 -8.331 1.773 3.416 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.055 3.949 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.170 1.046 4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.544 2.195 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.391 1.113 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.170 0.698 6.705 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.152 3.119 7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.461 3.448 6.347 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.169 1.228 8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.895 4.778 8.121 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.058 4.935 9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.608 1.475 9.754 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.017 3.084 10.357 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.666 2.836 2.008 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.712 3.144 0.929 1.00 0.00 C ATOM 1118 C ALA A 69 -4.850 4.610 0.500 1.00 0.00 C ATOM 1119 O ALA A 69 -3.860 5.353 0.468 1.00 0.00 O ATOM 1120 CB ALA A 69 -4.946 2.198 -0.262 1.00 0.00 C ATOM 0 H ALA A 69 -6.352 2.125 1.753 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.697 2.993 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.237 2.431 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.804 1.166 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.963 2.326 -0.634 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.105 4.996 0.196 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.474 6.368 -0.186 1.00 0.00 C ATOM 1128 C LEU A 70 -6.079 7.370 0.905 1.00 0.00 C ATOM 1129 O LEU A 70 -5.266 8.245 0.660 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.006 6.445 -0.460 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.608 7.867 -0.729 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.028 8.516 -2.001 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.152 7.825 -0.789 1.00 0.00 C ATOM 0 H LEU A 70 -6.898 4.354 0.210 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.932 6.630 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.229 5.814 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.526 6.013 0.395 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.317 8.493 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.476 9.499 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.948 8.621 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.249 7.887 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.536 8.828 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.467 7.159 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.543 7.459 0.160 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.635 7.162 2.111 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.562 8.099 3.258 1.00 0.00 C ATOM 1147 C ASP A 71 -5.113 8.452 3.633 1.00 0.00 C ATOM 1148 O ASP A 71 -4.771 9.634 3.819 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.292 7.462 4.466 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.394 8.386 5.696 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.335 9.204 5.752 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.549 8.292 6.612 1.00 0.00 O ATOM 0 H ASP A 71 -7.163 6.316 2.326 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.046 9.033 2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.297 7.172 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.770 6.549 4.753 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.282 7.404 3.729 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.845 7.531 3.998 1.00 0.00 C ATOM 1159 C ALA A 72 -2.160 8.386 2.910 1.00 0.00 C ATOM 1160 O ALA A 72 -1.452 9.367 3.212 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.231 6.123 4.072 1.00 0.00 C ATOM 0 H ALA A 72 -4.592 6.438 3.621 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.690 8.039 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.162 6.202 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.709 5.559 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.386 5.608 3.124 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.441 8.031 1.641 1.00 0.00 N ATOM 1168 CA ALA A 73 -1.896 8.721 0.466 1.00 0.00 C ATOM 1169 C ALA A 73 -2.424 10.167 0.345 1.00 0.00 C ATOM 1170 O ALA A 73 -1.723 11.010 -0.210 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.193 7.919 -0.813 1.00 0.00 C ATOM 0 H ALA A 73 -3.057 7.252 1.406 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.816 8.787 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.782 8.444 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.736 6.932 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.271 7.812 -0.933 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.647 10.451 0.876 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.245 11.808 0.821 1.00 0.00 C ATOM 1179 C LYS A 74 -3.385 12.761 1.625 1.00 0.00 C ATOM 1180 O LYS A 74 -2.926 13.768 1.094 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.713 11.869 1.339 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.723 10.972 0.587 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.192 11.449 0.713 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.449 12.749 -0.072 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.867 13.174 -0.019 1.00 0.00 N ATOM 0 H LYS A 74 -4.232 9.759 1.344 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.278 12.095 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.720 11.589 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.058 12.901 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.450 10.938 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.647 9.954 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.859 10.668 0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.432 11.607 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.820 13.543 0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.155 12.606 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.987 14.053 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.468 12.430 -0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.143 13.338 0.970 1.00 0.00 H new ATOM 1199 N SER A 75 -3.124 12.371 2.886 1.00 0.00 N ATOM 1200 CA SER A 75 -2.282 13.137 3.811 1.00 0.00 C ATOM 1201 C SER A 75 -0.901 13.433 3.189 1.00 0.00 C ATOM 1202 O SER A 75 -0.416 14.555 3.266 1.00 0.00 O ATOM 1203 CB SER A 75 -2.122 12.361 5.137 1.00 0.00 C ATOM 1204 OG SER A 75 -3.380 12.033 5.710 1.00 0.00 O ATOM 0 H SER A 75 -3.495 11.511 3.290 1.00 0.00 H new ATOM 0 HA SER A 75 -2.768 14.092 4.012 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.555 11.448 4.958 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.546 12.961 5.842 1.00 0.00 H new ATOM 0 HG SER A 75 -3.240 11.541 6.546 1.00 0.00 H new ATOM 1210 N MET A 76 -0.321 12.419 2.521 1.00 0.00 N ATOM 1211 CA MET A 76 1.002 12.533 1.875 1.00 0.00 C ATOM 1212 C MET A 76 0.988 13.511 0.679 1.00 0.00 C ATOM 1213 O MET A 76 1.908 14.319 0.532 1.00 0.00 O ATOM 1214 CB MET A 76 1.490 11.143 1.427 1.00 0.00 C ATOM 1215 CG MET A 76 1.640 10.141 2.570 1.00 0.00 C ATOM 1216 SD MET A 76 2.733 10.748 3.879 1.00 0.00 S ATOM 1217 CE MET A 76 1.629 10.860 5.292 1.00 0.00 C ATOM 0 H MET A 76 -0.753 11.501 2.413 1.00 0.00 H new ATOM 0 HA MET A 76 1.693 12.941 2.613 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.789 10.742 0.695 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.451 11.251 0.923 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.658 9.924 2.991 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.033 9.203 2.178 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.031 11.573 6.012 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.646 11.194 4.960 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.539 9.881 5.762 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.055 13.430 -0.171 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.263 14.378 -1.295 1.00 0.00 C ATOM 1229 C HIS A 77 -0.395 15.831 -0.783 1.00 0.00 C ATOM 1230 O HIS A 77 0.090 16.772 -1.424 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.501 13.966 -2.148 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.228 12.924 -3.216 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.166 13.230 -4.558 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.046 11.578 -3.144 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.967 12.132 -5.256 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.889 11.116 -4.423 1.00 0.00 N ATOM 0 H HIS A 77 -0.776 12.712 -0.103 1.00 0.00 H new ATOM 0 HA HIS A 77 0.616 14.334 -1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.273 13.585 -1.479 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.906 14.858 -2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.029 10.983 -2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.882 12.074 -6.331 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.736 10.143 -4.687 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.015 15.983 0.396 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.183 17.283 1.065 1.00 0.00 C ATOM 1247 C GLU A 78 0.159 17.799 1.629 1.00 0.00 C ATOM 1248 O GLU A 78 0.380 19.010 1.695 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.249 17.148 2.183 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.637 16.707 1.671 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.354 17.781 0.830 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.060 18.630 1.415 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.213 17.783 -0.411 1.00 0.00 O ATOM 0 H GLU A 78 -1.417 15.203 0.916 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.524 18.018 0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.898 16.427 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.348 18.105 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.524 15.804 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.264 16.447 2.524 1.00 0.00 H new ATOM 1260 N LEU A 79 1.058 16.868 2.015 1.00 0.00 N ATOM 1261 CA LEU A 79 2.432 17.217 2.465 1.00 0.00 C ATOM 1262 C LEU A 79 3.329 17.608 1.270 1.00 0.00 C ATOM 1263 O LEU A 79 4.365 18.243 1.455 1.00 0.00 O ATOM 1264 CB LEU A 79 3.089 16.051 3.256 1.00 0.00 C ATOM 1265 CG LEU A 79 2.297 15.532 4.494 1.00 0.00 C ATOM 1266 CD1 LEU A 79 3.086 14.462 5.270 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.841 16.684 5.424 1.00 0.00 C ATOM 0 H LEU A 79 0.861 15.867 2.026 1.00 0.00 H new ATOM 0 HA LEU A 79 2.339 18.075 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.243 15.216 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.075 16.375 3.590 1.00 0.00 H new ATOM 0 HG LEU A 79 1.394 15.058 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.499 14.126 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.291 13.615 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.027 14.886 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.294 16.272 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.714 17.227 5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.194 17.364 4.870 1.00 0.00 H new ATOM 1279 N GLY A 80 2.916 17.216 0.048 1.00 0.00 N ATOM 1280 CA GLY A 80 3.626 17.583 -1.189 1.00 0.00 C ATOM 1281 C GLY A 80 4.226 16.388 -1.917 1.00 0.00 C ATOM 1282 O GLY A 80 4.981 16.567 -2.875 1.00 0.00 O ATOM 0 H GLY A 80 2.088 16.641 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.935 18.097 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.421 18.289 -0.948 1.00 0.00 H new ATOM 1286 N TYR A 81 3.921 15.168 -1.444 1.00 0.00 N ATOM 1287 CA TYR A 81 4.310 13.919 -2.137 1.00 0.00 C ATOM 1288 C TYR A 81 3.250 13.556 -3.189 1.00 0.00 C ATOM 1289 O TYR A 81 2.200 14.199 -3.270 1.00 0.00 O ATOM 1290 CB TYR A 81 4.463 12.763 -1.115 1.00 0.00 C ATOM 1291 CG TYR A 81 5.432 13.071 0.035 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.799 13.191 -0.201 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.979 13.257 1.344 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.678 13.480 0.825 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.857 13.550 2.366 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.203 13.659 2.102 1.00 0.00 C ATOM 1297 OH TYR A 81 8.082 13.961 3.111 1.00 0.00 O ATOM 0 H TYR A 81 3.403 15.015 -0.579 1.00 0.00 H new ATOM 0 HA TYR A 81 5.268 14.074 -2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.484 12.528 -0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.809 11.872 -1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.179 13.056 -1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.924 13.170 1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.736 13.565 0.624 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.489 13.694 3.371 1.00 0.00 H new ATOM 0 HH TYR A 81 7.592 14.058 3.954 1.00 0.00 H new ATOM 1307 N THR A 82 3.526 12.515 -3.987 1.00 0.00 N ATOM 1308 CA THR A 82 2.561 11.954 -4.952 1.00 0.00 C ATOM 1309 C THR A 82 2.706 10.404 -5.028 1.00 0.00 C ATOM 1310 O THR A 82 3.120 9.867 -6.067 1.00 0.00 O ATOM 1311 CB THR A 82 2.710 12.597 -6.391 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.098 12.643 -6.757 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.099 14.012 -6.502 1.00 0.00 C ATOM 0 H THR A 82 4.426 12.035 -3.984 1.00 0.00 H new ATOM 0 HA THR A 82 1.562 12.201 -4.591 1.00 0.00 H new ATOM 0 HB THR A 82 2.149 11.960 -7.075 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.188 13.040 -7.649 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.238 14.390 -7.515 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.034 13.967 -6.274 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.593 14.678 -5.795 1.00 0.00 H new ATOM 1321 N PRO A 83 2.410 9.648 -3.909 1.00 0.00 N ATOM 1322 CA PRO A 83 2.343 8.169 -3.955 1.00 0.00 C ATOM 1323 C PRO A 83 1.030 7.670 -4.597 1.00 0.00 C ATOM 1324 O PRO A 83 0.001 8.360 -4.562 1.00 0.00 O ATOM 1325 CB PRO A 83 2.415 7.768 -2.459 1.00 0.00 C ATOM 1326 CG PRO A 83 1.762 8.910 -1.745 1.00 0.00 C ATOM 1327 CD PRO A 83 2.166 10.147 -2.519 1.00 0.00 C ATOM 0 HA PRO A 83 3.136 7.733 -4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.893 6.830 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.446 7.630 -2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.678 8.794 -1.726 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.095 8.968 -0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.381 10.903 -2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.061 10.606 -2.098 1.00 0.00 H new ATOM 1335 N TYR A 84 1.086 6.472 -5.183 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.098 5.761 -5.689 1.00 0.00 C ATOM 1337 C TYR A 84 -0.744 4.983 -4.536 1.00 0.00 C ATOM 1338 O TYR A 84 -0.163 4.880 -3.440 1.00 0.00 O ATOM 1339 CB TYR A 84 0.303 4.788 -6.826 1.00 0.00 C ATOM 1340 CG TYR A 84 0.947 5.469 -8.044 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.310 5.782 -8.062 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.191 5.794 -9.175 1.00 0.00 C ATOM 1343 CE1 TYR A 84 2.888 6.392 -9.159 1.00 0.00 C ATOM 1344 CE2 TYR A 84 0.772 6.396 -10.273 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.119 6.692 -10.259 1.00 0.00 C ATOM 1346 OH TYR A 84 2.703 7.274 -11.359 1.00 0.00 O ATOM 0 H TYR A 84 1.958 5.962 -5.322 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.810 6.483 -6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.999 4.049 -6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.584 4.246 -7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.921 5.543 -7.204 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.865 5.570 -9.190 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.941 6.633 -9.153 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.174 6.634 -11.140 1.00 0.00 H new ATOM 0 HH TYR A 84 2.024 7.421 -12.051 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.930 4.417 -4.786 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.631 3.608 -3.786 1.00 0.00 C ATOM 1358 C TYR A 85 -3.457 2.520 -4.479 1.00 0.00 C ATOM 1359 O TYR A 85 -3.909 2.700 -5.618 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.493 4.497 -2.850 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.730 5.155 -3.487 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.639 6.373 -4.167 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.992 4.559 -3.387 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.758 6.959 -4.719 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -7.104 5.147 -3.936 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.985 6.343 -4.597 1.00 0.00 C ATOM 1367 OH TYR A 85 -8.102 6.926 -5.144 1.00 0.00 O ATOM 0 H TYR A 85 -2.424 4.505 -5.674 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.896 3.113 -3.151 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.824 3.888 -2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.857 5.284 -2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.680 6.861 -4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.093 3.618 -2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.674 7.898 -5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.069 4.670 -3.848 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.884 6.362 -4.969 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.634 1.391 -3.781 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.235 0.177 -4.334 1.00 0.00 C ATOM 1379 C LEU A 86 -5.550 -0.125 -3.609 1.00 0.00 C ATOM 1380 O LEU A 86 -5.568 -0.427 -2.388 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.210 -0.995 -4.227 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.567 -2.399 -4.848 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.473 -3.257 -3.940 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.162 -2.263 -6.259 1.00 0.00 C ATOM 0 H LEU A 86 -3.359 1.297 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.475 0.313 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.282 -0.660 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.001 -1.150 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.621 -2.934 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.680 -4.210 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.970 -3.437 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.410 -2.731 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.395 -3.252 -6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.073 -1.667 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.440 -1.773 -6.913 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.632 -0.037 -4.395 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.968 -0.476 -4.004 1.00 0.00 C ATOM 1398 C GLU A 87 -8.159 -1.909 -4.520 1.00 0.00 C ATOM 1399 O GLU A 87 -8.449 -2.136 -5.709 1.00 0.00 O ATOM 1400 CB GLU A 87 -9.048 0.481 -4.572 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.937 1.926 -4.052 1.00 0.00 C ATOM 1402 CD GLU A 87 -10.038 2.851 -4.594 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -11.170 2.807 -4.069 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.775 3.624 -5.539 1.00 0.00 O ATOM 0 H GLU A 87 -6.596 0.350 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.074 -0.458 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.976 0.490 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.034 0.090 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.982 1.918 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.963 2.331 -4.328 1.00 0.00 H new ATOM 1411 N GLY A 88 -7.926 -2.862 -3.623 1.00 0.00 N ATOM 1412 CA GLY A 88 -7.996 -4.274 -3.942 1.00 0.00 C ATOM 1413 C GLY A 88 -7.949 -5.120 -2.690 1.00 0.00 C ATOM 1414 O GLY A 88 -7.396 -4.698 -1.664 1.00 0.00 O ATOM 0 H GLY A 88 -7.683 -2.670 -2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.916 -4.481 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.168 -4.543 -4.597 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.511 -6.325 -2.787 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.638 -7.243 -1.650 1.00 0.00 C ATOM 1420 C ASN A 89 -7.290 -7.918 -1.361 1.00 0.00 C ATOM 1421 O ASN A 89 -6.739 -8.582 -2.244 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.720 -8.304 -1.955 1.00 0.00 C ATOM 1423 CG ASN A 89 -10.174 -9.101 -0.730 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -9.415 -9.344 0.205 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.437 -9.480 -0.711 1.00 0.00 N ATOM 0 H ASN A 89 -8.893 -6.695 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.936 -6.679 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.586 -7.809 -2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.334 -8.996 -2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.805 -9.988 0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.046 -9.265 -1.501 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.778 -7.763 -0.114 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.482 -8.346 0.305 1.00 0.00 C ATOM 1434 C VAL A 90 -5.476 -9.880 0.154 1.00 0.00 C ATOM 1435 O VAL A 90 -4.470 -10.467 -0.238 1.00 0.00 O ATOM 1436 CB VAL A 90 -5.074 -7.927 1.775 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -6.080 -8.442 2.820 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.629 -8.378 2.126 1.00 0.00 C ATOM 0 H VAL A 90 -7.248 -7.235 0.622 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.730 -7.933 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.097 -6.838 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.762 -8.132 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.067 -8.029 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.125 -9.530 2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.389 -8.070 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.557 -9.463 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.926 -7.917 1.432 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.639 -10.497 0.400 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.805 -11.959 0.371 1.00 0.00 C ATOM 1450 C TYR A 91 -6.844 -12.477 -1.088 1.00 0.00 C ATOM 1451 O TYR A 91 -6.527 -13.640 -1.348 1.00 0.00 O ATOM 1452 CB TYR A 91 -8.092 -12.346 1.158 1.00 0.00 C ATOM 1453 CG TYR A 91 -8.121 -11.786 2.602 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -7.303 -12.321 3.595 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.943 -10.709 2.958 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -7.299 -11.809 4.880 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.943 -10.198 4.243 1.00 0.00 C ATOM 1458 CZ TYR A 91 -8.119 -10.751 5.199 1.00 0.00 C ATOM 1459 OH TYR A 91 -8.109 -10.235 6.477 1.00 0.00 O ATOM 0 H TYR A 91 -7.497 -9.994 0.626 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.951 -12.434 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.964 -11.980 0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -8.173 -13.432 1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.658 -13.154 3.356 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.590 -10.269 2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.653 -12.239 5.632 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.587 -9.368 4.496 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.745 -9.491 6.534 1.00 0.00 H new ATOM 1469 N ASP A 92 -7.210 -11.586 -2.032 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.324 -11.918 -3.477 1.00 0.00 C ATOM 1471 C ASP A 92 -5.993 -11.763 -4.237 1.00 0.00 C ATOM 1472 O ASP A 92 -5.903 -12.221 -5.375 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.429 -11.058 -4.168 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.862 -11.582 -3.956 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.278 -11.755 -2.792 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.587 -11.809 -4.958 1.00 0.00 O ATOM 0 H ASP A 92 -7.436 -10.614 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.604 -12.970 -3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.368 -10.037 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.224 -11.015 -5.238 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.977 -11.128 -3.628 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.651 -10.933 -4.291 1.00 0.00 C ATOM 1483 C PHE A 93 -3.063 -12.260 -4.833 1.00 0.00 C ATOM 1484 O PHE A 93 -2.639 -12.323 -5.996 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.629 -10.252 -3.343 1.00 0.00 C ATOM 1486 CG PHE A 93 -2.992 -8.840 -2.879 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -3.951 -8.075 -3.539 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.360 -8.277 -1.786 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.264 -6.800 -3.120 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.667 -7.004 -1.373 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.619 -6.262 -2.035 1.00 0.00 C ATOM 0 H PHE A 93 -5.035 -10.740 -2.687 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.833 -10.273 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.502 -10.882 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.664 -10.212 -3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.460 -8.490 -4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.615 -8.846 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.014 -6.226 -3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.157 -6.581 -0.520 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.857 -5.262 -1.702 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.108 -13.314 -3.994 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.596 -14.656 -4.340 1.00 0.00 C ATOM 1503 C GLU A 94 -3.295 -15.263 -5.581 1.00 0.00 C ATOM 1504 O GLU A 94 -2.621 -15.819 -6.453 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.692 -15.616 -3.107 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.391 -15.707 -2.262 1.00 0.00 C ATOM 1507 CD GLU A 94 -0.239 -16.515 -2.897 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -0.427 -17.146 -3.960 1.00 0.00 O ATOM 1509 OE2 GLU A 94 0.865 -16.541 -2.315 1.00 0.00 O ATOM 0 H GLU A 94 -3.501 -13.259 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.546 -14.538 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.506 -15.281 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.953 -16.614 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.036 -14.696 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.636 -16.153 -1.298 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.633 -15.133 -5.671 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.403 -15.696 -6.807 1.00 0.00 C ATOM 1518 C LYS A 95 -5.289 -14.811 -8.069 1.00 0.00 C ATOM 1519 O LYS A 95 -5.611 -15.256 -9.169 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.887 -15.955 -6.411 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.657 -14.723 -5.911 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.134 -15.006 -5.512 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.100 -15.110 -6.709 1.00 0.00 C ATOM 1524 NZ LYS A 95 -9.834 -16.286 -7.582 1.00 0.00 N ATOM 0 H LYS A 95 -5.203 -14.648 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.961 -16.661 -7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.410 -16.364 -7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.911 -16.718 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.134 -14.308 -5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.644 -13.961 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.174 -15.936 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.478 -14.213 -4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.123 -15.167 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.028 -14.200 -7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.732 -16.645 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.213 -16.003 -8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.371 -17.033 -7.026 1.00 0.00 H new ATOM 1538 N TYR A 96 -4.828 -13.554 -7.898 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.458 -12.663 -9.022 1.00 0.00 C ATOM 1540 C TYR A 96 -3.000 -12.918 -9.481 1.00 0.00 C ATOM 1541 O TYR A 96 -2.588 -12.422 -10.532 1.00 0.00 O ATOM 1542 CB TYR A 96 -4.673 -11.169 -8.643 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.123 -10.664 -8.817 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.141 -11.052 -7.943 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.466 -9.795 -9.859 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.434 -10.590 -8.094 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -7.760 -9.334 -10.011 1.00 0.00 C ATOM 1548 CZ TYR A 96 -8.737 -9.733 -9.130 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.025 -9.268 -9.283 1.00 0.00 O ATOM 0 H TYR A 96 -4.701 -13.128 -6.980 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.115 -12.893 -9.861 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.374 -11.024 -7.605 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.012 -10.554 -9.254 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.912 -11.728 -7.132 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.705 -9.479 -10.557 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.204 -10.899 -7.403 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.003 -8.662 -10.820 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.068 -8.673 -10.061 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.222 -13.663 -8.674 1.00 0.00 N ATOM 1560 CA GLY A 97 -0.878 -14.122 -9.071 1.00 0.00 C ATOM 1561 C GLY A 97 0.252 -13.398 -8.359 1.00 0.00 C ATOM 1562 O GLY A 97 1.432 -13.598 -8.682 1.00 0.00 O ATOM 0 H GLY A 97 -2.503 -13.961 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.795 -15.190 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.762 -13.989 -10.147 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.110 -12.535 -7.409 1.00 0.00 N ATOM 1567 CA PHE A 98 0.841 -11.777 -6.591 1.00 0.00 C ATOM 1568 C PHE A 98 1.032 -12.522 -5.270 1.00 0.00 C ATOM 1569 O PHE A 98 0.103 -12.573 -4.454 1.00 0.00 O ATOM 1570 CB PHE A 98 0.300 -10.345 -6.369 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.096 -9.659 -7.679 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.875 -9.203 -8.571 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.438 -9.500 -8.023 1.00 0.00 C ATOM 1574 CE1 PHE A 98 0.513 -8.599 -9.758 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -1.796 -8.894 -9.209 1.00 0.00 C ATOM 1576 CZ PHE A 98 -0.822 -8.452 -10.079 1.00 0.00 C ATOM 0 H PHE A 98 -1.085 -12.339 -7.182 1.00 0.00 H new ATOM 0 HA PHE A 98 1.807 -11.690 -7.088 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.565 -10.385 -5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.059 -9.747 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.921 -9.324 -8.330 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.206 -9.856 -7.353 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.274 -8.241 -10.436 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.839 -8.766 -9.456 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.104 -7.990 -11.014 1.00 0.00 H new ATOM 1586 N ARG A 99 2.228 -13.127 -5.084 1.00 0.00 N ATOM 1587 CA ARG A 99 2.490 -14.008 -3.935 1.00 0.00 C ATOM 1588 C ARG A 99 2.426 -13.229 -2.614 1.00 0.00 C ATOM 1589 O ARG A 99 2.647 -12.014 -2.578 1.00 0.00 O ATOM 1590 CB ARG A 99 3.854 -14.750 -4.042 1.00 0.00 C ATOM 1591 CG ARG A 99 5.119 -13.882 -3.810 1.00 0.00 C ATOM 1592 CD ARG A 99 6.316 -14.728 -3.344 1.00 0.00 C ATOM 1593 NE ARG A 99 7.517 -13.914 -3.049 1.00 0.00 N ATOM 1594 CZ ARG A 99 8.343 -14.100 -1.994 1.00 0.00 C ATOM 1595 NH1 ARG A 99 8.089 -15.033 -1.081 1.00 0.00 N ATOM 1596 NH2 ARG A 99 9.404 -13.313 -1.838 1.00 0.00 N ATOM 0 H ARG A 99 3.021 -13.018 -5.716 1.00 0.00 H new ATOM 0 HA ARG A 99 1.703 -14.762 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.859 -15.566 -3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.923 -15.201 -5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.378 -13.363 -4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.903 -13.117 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.034 -15.287 -2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.559 -15.459 -4.115 1.00 0.00 H new ATOM 0 HE ARG A 99 7.739 -13.154 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.261 -15.622 -1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.722 -15.160 -0.292 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.593 -12.572 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.029 -13.451 -1.044 1.00 0.00 H new ATOM 1610 N MET A 100 2.142 -13.956 -1.536 1.00 0.00 N ATOM 1611 CA MET A 100 1.954 -13.400 -0.190 1.00 0.00 C ATOM 1612 C MET A 100 2.659 -14.307 0.819 1.00 0.00 C ATOM 1613 O MET A 100 2.658 -15.534 0.667 1.00 0.00 O ATOM 1614 CB MET A 100 0.442 -13.288 0.166 1.00 0.00 C ATOM 1615 CG MET A 100 -0.372 -12.348 -0.736 1.00 0.00 C ATOM 1616 SD MET A 100 -2.121 -12.313 -0.308 1.00 0.00 S ATOM 1617 CE MET A 100 -2.042 -11.736 1.379 1.00 0.00 C ATOM 0 H MET A 100 2.033 -14.970 -1.570 1.00 0.00 H new ATOM 0 HA MET A 100 2.379 -12.397 -0.159 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.001 -14.283 0.121 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.352 -12.945 1.197 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.035 -11.340 -0.664 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.263 -12.663 -1.774 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.051 -11.560 1.751 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.553 -12.488 1.998 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.473 -10.807 1.420 1.00 0.00 H new ATOM 1627 N VAL A 101 3.260 -13.693 1.836 1.00 0.00 N ATOM 1628 CA VAL A 101 3.959 -14.402 2.915 1.00 0.00 C ATOM 1629 C VAL A 101 2.988 -14.641 4.098 1.00 0.00 C ATOM 1630 O VAL A 101 2.524 -13.698 4.765 1.00 0.00 O ATOM 1631 CB VAL A 101 5.271 -13.637 3.348 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.361 -13.782 2.265 1.00 0.00 C ATOM 1633 CG2 VAL A 101 5.001 -12.145 3.636 1.00 0.00 C ATOM 0 H VAL A 101 3.278 -12.678 1.939 1.00 0.00 H new ATOM 0 HA VAL A 101 4.285 -15.377 2.552 1.00 0.00 H new ATOM 0 HB VAL A 101 5.622 -14.093 4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.259 -13.249 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.596 -14.837 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.999 -13.362 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.930 -11.657 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.608 -11.666 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.273 -12.056 4.443 1.00 0.00 H new ATOM 1643 N TYR A 102 2.648 -15.926 4.282 1.00 0.00 N ATOM 1644 CA TYR A 102 1.723 -16.413 5.319 1.00 0.00 C ATOM 1645 C TYR A 102 2.520 -16.962 6.507 1.00 0.00 C ATOM 1646 O TYR A 102 3.569 -17.588 6.305 1.00 0.00 O ATOM 1647 CB TYR A 102 0.821 -17.536 4.747 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.133 -17.089 3.630 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -1.408 -16.621 3.931 1.00 0.00 C ATOM 1650 CD2 TYR A 102 0.238 -17.134 2.283 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -2.275 -16.220 2.941 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -0.630 -16.731 1.288 1.00 0.00 C ATOM 1653 CZ TYR A 102 -1.886 -16.273 1.627 1.00 0.00 C ATOM 1654 OH TYR A 102 -2.762 -15.865 0.649 1.00 0.00 O ATOM 0 H TYR A 102 3.018 -16.676 3.698 1.00 0.00 H new ATOM 0 HA TYR A 102 1.098 -15.583 5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.457 -18.334 4.365 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.232 -17.960 5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.724 -16.571 4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.222 -17.491 2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.261 -15.864 3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.328 -16.774 0.252 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.064 -16.643 0.135 1.00 0.00 H new ATOM 1664 N ASP A 103 1.994 -16.742 7.733 1.00 0.00 N ATOM 1665 CA ASP A 103 2.621 -17.195 8.997 1.00 0.00 C ATOM 1666 C ASP A 103 4.024 -16.544 9.150 1.00 0.00 C ATOM 1667 O ASP A 103 4.969 -17.128 9.687 1.00 0.00 O ATOM 1668 CB ASP A 103 2.659 -18.765 9.043 1.00 0.00 C ATOM 1669 CG ASP A 103 3.005 -19.343 10.422 1.00 0.00 C ATOM 1670 OD1 ASP A 103 2.216 -19.126 11.361 1.00 0.00 O ATOM 1671 OD2 ASP A 103 4.064 -19.997 10.578 1.00 0.00 O ATOM 0 H ASP A 103 1.116 -16.242 7.875 1.00 0.00 H new ATOM 0 HA ASP A 103 2.027 -16.871 9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.688 -19.151 8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.390 -19.122 8.318 1.00 0.00 H new ATOM 1676 N ASP A 104 4.107 -15.271 8.713 1.00 0.00 N ATOM 1677 CA ASP A 104 5.375 -14.505 8.607 1.00 0.00 C ATOM 1678 C ASP A 104 5.879 -14.014 9.996 1.00 0.00 C ATOM 1679 O ASP A 104 6.967 -13.430 10.108 1.00 0.00 O ATOM 1680 CB ASP A 104 5.161 -13.326 7.615 1.00 0.00 C ATOM 1681 CG ASP A 104 6.466 -12.621 7.191 1.00 0.00 C ATOM 1682 OD1 ASP A 104 7.229 -13.196 6.382 1.00 0.00 O ATOM 1683 OD2 ASP A 104 6.739 -11.496 7.659 1.00 0.00 O ATOM 0 H ASP A 104 3.289 -14.736 8.420 1.00 0.00 H new ATOM 0 HA ASP A 104 6.159 -15.159 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.656 -13.700 6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.497 -12.594 8.074 1.00 0.00 H new ATOM 1688 N THR A 105 5.075 -14.290 11.040 1.00 0.00 N ATOM 1689 CA THR A 105 5.397 -14.000 12.452 1.00 0.00 C ATOM 1690 C THR A 105 6.707 -14.679 12.932 1.00 0.00 C ATOM 1691 O THR A 105 7.101 -15.736 12.414 1.00 0.00 O ATOM 1692 CB THR A 105 4.211 -14.444 13.382 1.00 0.00 C ATOM 1693 OG1 THR A 105 4.522 -14.183 14.764 1.00 0.00 O ATOM 1694 CG2 THR A 105 3.839 -15.931 13.207 1.00 0.00 C ATOM 0 H THR A 105 4.163 -14.731 10.924 1.00 0.00 H new ATOM 0 HA THR A 105 5.548 -12.922 12.516 1.00 0.00 H new ATOM 0 HB THR A 105 3.347 -13.852 13.081 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.739 -13.234 14.877 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.014 -16.181 13.874 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.538 -16.112 12.175 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.701 -16.553 13.448 1.00 0.00 H new ATOM 1702 N CYS A 106 7.369 -14.049 13.929 1.00 0.00 N ATOM 1703 CA CYS A 106 8.543 -14.621 14.621 1.00 0.00 C ATOM 1704 C CYS A 106 8.078 -15.619 15.707 1.00 0.00 C ATOM 1705 O CYS A 106 8.243 -15.386 16.911 1.00 0.00 O ATOM 1706 CB CYS A 106 9.423 -13.493 15.237 1.00 0.00 C ATOM 1707 SG CYS A 106 10.134 -12.346 14.036 1.00 0.00 S ATOM 0 H CYS A 106 7.102 -13.128 14.276 1.00 0.00 H new ATOM 0 HA CYS A 106 9.154 -15.158 13.895 1.00 0.00 H new ATOM 0 HB2 CYS A 106 8.819 -12.927 15.946 1.00 0.00 H new ATOM 0 HB3 CYS A 106 10.233 -13.952 15.804 1.00 0.00 H new ATOM 0 HG CYS A 106 10.843 -11.451 14.658 1.00 0.00 H new ATOM 1713 N ASP A 107 7.466 -16.726 15.258 1.00 0.00 N ATOM 1714 CA ASP A 107 6.919 -17.775 16.145 1.00 0.00 C ATOM 1715 C ASP A 107 7.785 -19.039 16.065 1.00 0.00 C ATOM 1716 O ASP A 107 8.464 -19.275 15.055 1.00 0.00 O ATOM 1717 CB ASP A 107 5.452 -18.096 15.760 1.00 0.00 C ATOM 1718 CG ASP A 107 4.748 -19.044 16.755 1.00 0.00 C ATOM 1719 OD1 ASP A 107 4.245 -18.558 17.791 1.00 0.00 O ATOM 1720 OD2 ASP A 107 4.727 -20.270 16.523 1.00 0.00 O ATOM 0 H ASP A 107 7.334 -16.923 14.266 1.00 0.00 H new ATOM 0 HA ASP A 107 6.933 -17.409 17.171 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.889 -17.165 15.697 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.435 -18.546 14.767 1.00 0.00 H new ATOM 1725 N LYS A 108 7.739 -19.852 17.130 1.00 0.00 N ATOM 1726 CA LYS A 108 8.522 -21.092 17.243 1.00 0.00 C ATOM 1727 C LYS A 108 7.758 -22.179 18.040 1.00 0.00 C ATOM 1728 O LYS A 108 8.350 -23.204 18.400 1.00 0.00 O ATOM 1729 CB LYS A 108 9.902 -20.777 17.895 1.00 0.00 C ATOM 1730 CG LYS A 108 9.815 -20.018 19.242 1.00 0.00 C ATOM 1731 CD LYS A 108 11.194 -19.795 19.913 1.00 0.00 C ATOM 1732 CE LYS A 108 11.890 -21.112 20.305 1.00 0.00 C ATOM 1733 NZ LYS A 108 13.179 -20.884 21.013 1.00 0.00 N ATOM 0 H LYS A 108 7.153 -19.666 17.944 1.00 0.00 H new ATOM 0 HA LYS A 108 8.686 -21.493 16.243 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.437 -21.713 18.053 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.494 -20.186 17.196 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.340 -19.051 19.076 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.173 -20.576 19.924 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.838 -19.238 19.232 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.064 -19.180 20.803 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.226 -21.694 20.944 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.071 -21.705 19.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.609 -21.800 21.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.825 -20.351 20.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.006 -20.341 21.883 1.00 0.00 H new ATOM 1747 N LYS A 109 6.443 -21.970 18.278 1.00 0.00 N ATOM 1748 CA LYS A 109 5.578 -22.950 18.973 1.00 0.00 C ATOM 1749 C LYS A 109 5.283 -24.163 18.060 1.00 0.00 C ATOM 1750 O LYS A 109 4.262 -24.204 17.368 1.00 0.00 O ATOM 1751 CB LYS A 109 4.253 -22.275 19.451 1.00 0.00 C ATOM 1752 CG LYS A 109 4.395 -21.213 20.581 1.00 0.00 C ATOM 1753 CD LYS A 109 4.314 -21.765 22.047 1.00 0.00 C ATOM 1754 CE LYS A 109 5.509 -22.653 22.505 1.00 0.00 C ATOM 1755 NZ LYS A 109 5.333 -24.099 22.172 1.00 0.00 N ATOM 0 H LYS A 109 5.954 -21.121 17.995 1.00 0.00 H new ATOM 0 HA LYS A 109 6.109 -23.312 19.853 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.780 -21.800 18.591 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.575 -23.056 19.797 1.00 0.00 H new ATOM 0 HG2 LYS A 109 5.350 -20.703 20.457 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.614 -20.464 20.451 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.232 -20.919 22.729 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.396 -22.345 22.146 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.424 -22.288 22.037 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.638 -22.549 23.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.265 -24.539 22.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.838 -24.577 22.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.774 -24.189 21.300 1.00 0.00 H new ATOM 1769 N ASN A 110 6.227 -25.123 18.037 1.00 0.00 N ATOM 1770 CA ASN A 110 6.142 -26.358 17.232 1.00 0.00 C ATOM 1771 C ASN A 110 6.667 -27.534 18.090 1.00 0.00 C ATOM 1772 O ASN A 110 7.902 -27.645 18.273 1.00 0.00 O ATOM 1773 CB ASN A 110 6.959 -26.225 15.905 1.00 0.00 C ATOM 1774 CG ASN A 110 6.399 -25.172 14.951 1.00 0.00 C ATOM 1775 OD1 ASN A 110 5.557 -25.468 14.102 1.00 0.00 O ATOM 1776 ND2 ASN A 110 6.856 -23.932 15.086 1.00 0.00 N ATOM 1777 OXT ASN A 110 5.843 -28.322 18.606 1.00 0.00 O ATOM 0 H ASN A 110 7.084 -25.062 18.586 1.00 0.00 H new ATOM 0 HA ASN A 110 5.105 -26.540 16.949 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.992 -25.973 16.146 1.00 0.00 H new ATOM 0 HB3 ASN A 110 6.976 -27.190 15.399 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.509 -23.191 14.476 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.554 -23.720 15.800 1.00 0.00 H new TER 1784 ASN A 110