USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 859 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -0.707 K(o=-1.4,f=1.8) USER MOD Set 1.2: A 96 SER OG : rot -100:sc= -0.743 USER MOD Set 2.1: A 24 MET CE :methyl 167:sc= 0 (180deg=-0.299) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00545) USER MOD Set 3.2: A 22 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.82 K(o=-1.8,f=-7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.089) USER MOD Single : A 23 SER OG : rot -110:sc= -1.52! USER MOD Single : A 25 ASN : amide:sc= -0.476 K(o=-0.48,f=-3.4) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -0.0253 (180deg=-0.197) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= -0.195 (180deg=-0.965) USER MOD Single : A 41 LYS NZ :NH3+ -130:sc= -1.58 (180deg=-3.98) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.08! C(o=-3.1!,f=-7.2!) USER MOD Single : A 50 THR OG1 : rot -108:sc= 0.637 USER MOD Single : A 54 CYS SG : rot 138:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.364 K(o=-0.36,f=-0.99) USER MOD Single : A 56 MET CE :methyl -157:sc= -0.69 (180deg=-2.37!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= -0.0265 (180deg=-0.0265) USER MOD Single : A 66 ASN : amide:sc= -1.02 X(o=-1,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ -119:sc= -1.71 (180deg=-2.72!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -2.36 K(o=-2.4,f=-4.7!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.956 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -51:sc= 0.296 USER MOD Single : A 102 SER OG : rot -60:sc= 0.0404 USER MOD Single : A 103 SER OG : rot -125:sc= 1.12 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc=-0.00317 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.129 -8.683 -19.940 1.00 0.00 N ATOM 2 CA GLY A 1 -22.129 -10.128 -19.808 1.00 0.00 C ATOM 3 C GLY A 1 -21.530 -10.590 -18.494 1.00 0.00 C ATOM 4 O GLY A 1 -20.422 -10.191 -18.135 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.548 -8.418 -20.854 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.687 -8.264 -19.169 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.152 -8.330 -19.892 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.152 -10.497 -19.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.567 -10.565 -20.634 1.00 0.00 H new ATOM 8 N SER A 2 -22.264 -11.432 -17.774 1.00 0.00 N ATOM 9 CA SER A 2 -21.801 -11.945 -16.490 1.00 0.00 C ATOM 10 C SER A 2 -20.575 -12.834 -16.670 1.00 0.00 C ATOM 11 O SER A 2 -19.543 -12.624 -16.034 1.00 0.00 O ATOM 12 CB SER A 2 -22.917 -12.730 -15.798 1.00 0.00 C ATOM 13 OG SER A 2 -23.769 -11.866 -15.065 1.00 0.00 O ATOM 0 H SER A 2 -23.182 -11.774 -18.058 1.00 0.00 H new ATOM 0 HA SER A 2 -21.523 -11.095 -15.866 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.499 -13.274 -16.542 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.483 -13.472 -15.128 1.00 0.00 H new ATOM 0 HG SER A 2 -24.475 -12.391 -14.634 1.00 0.00 H new ATOM 19 N SER A 3 -20.697 -13.830 -17.543 1.00 0.00 N ATOM 20 CA SER A 3 -19.600 -14.755 -17.805 1.00 0.00 C ATOM 21 C SER A 3 -18.885 -14.395 -19.104 1.00 0.00 C ATOM 22 O SER A 3 -19.378 -13.592 -19.895 1.00 0.00 O ATOM 23 CB SER A 3 -20.123 -16.191 -17.878 1.00 0.00 C ATOM 24 OG SER A 3 -21.149 -16.311 -18.848 1.00 0.00 O ATOM 0 H SER A 3 -21.544 -14.017 -18.080 1.00 0.00 H new ATOM 0 HA SER A 3 -18.887 -14.677 -16.984 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.305 -16.867 -18.124 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.504 -16.493 -16.902 1.00 0.00 H new ATOM 0 HG SER A 3 -21.465 -17.238 -18.877 1.00 0.00 H new ATOM 30 N GLY A 4 -17.718 -14.996 -19.315 1.00 0.00 N ATOM 31 CA GLY A 4 -16.953 -14.728 -20.519 1.00 0.00 C ATOM 32 C GLY A 4 -15.965 -15.833 -20.837 1.00 0.00 C ATOM 33 O GLY A 4 -15.368 -16.419 -19.934 1.00 0.00 O ATOM 0 H GLY A 4 -17.289 -15.663 -18.674 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.636 -14.603 -21.359 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.416 -13.787 -20.402 1.00 0.00 H new ATOM 37 N SER A 5 -15.793 -16.119 -22.123 1.00 0.00 N ATOM 38 CA SER A 5 -14.875 -17.165 -22.558 1.00 0.00 C ATOM 39 C SER A 5 -13.546 -16.568 -23.011 1.00 0.00 C ATOM 40 O SER A 5 -13.515 -15.614 -23.789 1.00 0.00 O ATOM 41 CB SER A 5 -15.496 -17.977 -23.695 1.00 0.00 C ATOM 42 OG SER A 5 -15.688 -17.176 -24.849 1.00 0.00 O ATOM 0 H SER A 5 -16.278 -15.641 -22.883 1.00 0.00 H new ATOM 0 HA SER A 5 -14.687 -17.824 -21.711 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.851 -18.821 -23.938 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.452 -18.389 -23.372 1.00 0.00 H new ATOM 0 HG SER A 5 -16.085 -17.719 -25.562 1.00 0.00 H new ATOM 48 N SER A 6 -12.451 -17.136 -22.517 1.00 0.00 N ATOM 49 CA SER A 6 -11.118 -16.658 -22.867 1.00 0.00 C ATOM 50 C SER A 6 -10.919 -15.218 -22.406 1.00 0.00 C ATOM 51 O SER A 6 -10.371 -14.391 -23.134 1.00 0.00 O ATOM 52 CB SER A 6 -10.898 -16.757 -24.378 1.00 0.00 C ATOM 53 OG SER A 6 -10.356 -18.017 -24.733 1.00 0.00 O ATOM 0 H SER A 6 -12.460 -17.927 -21.873 1.00 0.00 H new ATOM 0 HA SER A 6 -10.388 -17.288 -22.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.844 -16.605 -24.897 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.225 -15.964 -24.703 1.00 0.00 H new ATOM 0 HG SER A 6 -10.226 -18.056 -25.704 1.00 0.00 H new ATOM 59 N GLY A 7 -11.369 -14.925 -21.189 1.00 0.00 N ATOM 60 CA GLY A 7 -11.231 -13.584 -20.651 1.00 0.00 C ATOM 61 C GLY A 7 -11.051 -13.580 -19.146 1.00 0.00 C ATOM 62 O GLY A 7 -11.709 -14.338 -18.433 1.00 0.00 O ATOM 0 H GLY A 7 -11.826 -15.592 -20.567 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.376 -13.095 -21.118 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.114 -12.999 -20.910 1.00 0.00 H new ATOM 66 N MET A 8 -10.156 -12.726 -18.661 1.00 0.00 N ATOM 67 CA MET A 8 -9.890 -12.627 -17.230 1.00 0.00 C ATOM 68 C MET A 8 -10.954 -11.782 -16.537 1.00 0.00 C ATOM 69 O MET A 8 -11.389 -10.760 -17.066 1.00 0.00 O ATOM 70 CB MET A 8 -8.505 -12.025 -16.987 1.00 0.00 C ATOM 71 CG MET A 8 -8.414 -10.549 -17.340 1.00 0.00 C ATOM 72 SD MET A 8 -6.713 -9.955 -17.407 1.00 0.00 S ATOM 73 CE MET A 8 -6.886 -8.555 -18.510 1.00 0.00 C ATOM 0 H MET A 8 -9.602 -12.092 -19.238 1.00 0.00 H new ATOM 0 HA MET A 8 -9.919 -13.632 -16.810 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.240 -12.156 -15.938 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.770 -12.577 -17.573 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.892 -10.380 -18.305 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.969 -9.968 -16.603 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.915 -8.081 -18.651 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.267 -8.895 -19.473 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.582 -7.836 -18.078 1.00 0.00 H new ATOM 83 N ASN A 9 -11.369 -12.216 -15.351 1.00 0.00 N ATOM 84 CA ASN A 9 -12.383 -11.498 -14.587 1.00 0.00 C ATOM 85 C ASN A 9 -11.823 -10.192 -14.032 1.00 0.00 C ATOM 86 O ASN A 9 -10.852 -10.193 -13.275 1.00 0.00 O ATOM 87 CB ASN A 9 -12.901 -12.372 -13.442 1.00 0.00 C ATOM 88 CG ASN A 9 -11.779 -12.921 -12.581 1.00 0.00 C ATOM 89 OD1 ASN A 9 -10.601 -12.727 -12.879 1.00 0.00 O ATOM 90 ND2 ASN A 9 -12.143 -13.612 -11.507 1.00 0.00 N ATOM 0 H ASN A 9 -11.019 -13.061 -14.899 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.209 -11.262 -15.258 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -13.580 -11.788 -12.821 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.478 -13.200 -13.853 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.433 -14.007 -10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -13.132 -13.748 -11.299 1.00 0.00 H new ATOM 97 N ARG A 10 -12.442 -9.080 -14.413 1.00 0.00 N ATOM 98 CA ARG A 10 -12.005 -7.767 -13.955 1.00 0.00 C ATOM 99 C ARG A 10 -12.031 -7.687 -12.431 1.00 0.00 C ATOM 100 O ARG A 10 -11.092 -7.190 -11.808 1.00 0.00 O ATOM 101 CB ARG A 10 -12.896 -6.674 -14.548 1.00 0.00 C ATOM 102 CG ARG A 10 -12.916 -6.663 -16.068 1.00 0.00 C ATOM 103 CD ARG A 10 -13.221 -5.276 -16.612 1.00 0.00 C ATOM 104 NE ARG A 10 -12.994 -5.190 -18.052 1.00 0.00 N ATOM 105 CZ ARG A 10 -13.174 -4.081 -18.759 1.00 0.00 C ATOM 106 NH1 ARG A 10 -13.582 -2.969 -18.163 1.00 0.00 N ATOM 107 NH2 ARG A 10 -12.946 -4.082 -20.067 1.00 0.00 N ATOM 0 H ARG A 10 -13.248 -9.062 -15.038 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.980 -7.614 -14.293 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.914 -6.807 -14.181 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.553 -5.703 -14.190 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.951 -7.000 -16.448 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.665 -7.369 -16.428 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.258 -5.021 -16.393 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.597 -4.542 -16.102 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.680 -6.028 -18.541 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.758 -2.964 -17.158 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.719 -2.119 -18.709 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.632 -4.935 -20.529 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.085 -3.229 -20.609 1.00 0.00 H new ATOM 121 N THR A 11 -13.113 -8.179 -11.836 1.00 0.00 N ATOM 122 CA THR A 11 -13.263 -8.162 -10.386 1.00 0.00 C ATOM 123 C THR A 11 -11.978 -8.606 -9.696 1.00 0.00 C ATOM 124 O THR A 11 -11.616 -8.084 -8.642 1.00 0.00 O ATOM 125 CB THR A 11 -14.419 -9.072 -9.930 1.00 0.00 C ATOM 126 OG1 THR A 11 -14.156 -10.426 -10.312 1.00 0.00 O ATOM 127 CG2 THR A 11 -15.738 -8.615 -10.535 1.00 0.00 C ATOM 0 H THR A 11 -13.899 -8.594 -12.336 1.00 0.00 H new ATOM 0 HA THR A 11 -13.488 -7.134 -10.103 1.00 0.00 H new ATOM 0 HB THR A 11 -14.495 -9.010 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.895 -10.998 -10.017 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.540 -9.273 -10.199 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.949 -7.594 -10.218 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.671 -8.651 -11.622 1.00 0.00 H new ATOM 135 N ALA A 12 -11.292 -9.573 -10.297 1.00 0.00 N ATOM 136 CA ALA A 12 -10.046 -10.085 -9.741 1.00 0.00 C ATOM 137 C ALA A 12 -8.848 -9.629 -10.567 1.00 0.00 C ATOM 138 O ALA A 12 -8.370 -10.355 -11.437 1.00 0.00 O ATOM 139 CB ALA A 12 -10.088 -11.604 -9.664 1.00 0.00 C ATOM 0 H ALA A 12 -11.579 -10.017 -11.169 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.934 -9.683 -8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.151 -11.973 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.916 -11.913 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.227 -12.015 -10.664 1.00 0.00 H new ATOM 145 N MET A 13 -8.369 -8.421 -10.288 1.00 0.00 N ATOM 146 CA MET A 13 -7.226 -7.869 -11.005 1.00 0.00 C ATOM 147 C MET A 13 -6.114 -7.477 -10.037 1.00 0.00 C ATOM 148 O MET A 13 -6.375 -6.929 -8.966 1.00 0.00 O ATOM 149 CB MET A 13 -7.653 -6.652 -11.829 1.00 0.00 C ATOM 150 CG MET A 13 -6.684 -6.306 -12.948 1.00 0.00 C ATOM 151 SD MET A 13 -7.485 -5.452 -14.320 1.00 0.00 S ATOM 152 CE MET A 13 -6.076 -4.669 -15.100 1.00 0.00 C ATOM 0 H MET A 13 -8.754 -7.806 -9.571 1.00 0.00 H new ATOM 0 HA MET A 13 -6.844 -8.638 -11.676 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.637 -6.841 -12.257 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.753 -5.792 -11.167 1.00 0.00 H new ATOM 0 HG2 MET A 13 -5.885 -5.679 -12.551 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.218 -7.220 -13.316 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.410 -4.101 -15.968 1.00 0.00 H new ATOM 0 HE2 MET A 13 -5.594 -3.997 -14.390 1.00 0.00 H new ATOM 0 HE3 MET A 13 -5.365 -5.432 -15.417 1.00 0.00 H new ATOM 162 N ARG A 14 -4.874 -7.763 -10.421 1.00 0.00 N ATOM 163 CA ARG A 14 -3.723 -7.441 -9.585 1.00 0.00 C ATOM 164 C ARG A 14 -3.066 -6.142 -10.041 1.00 0.00 C ATOM 165 O ARG A 14 -3.416 -5.590 -11.084 1.00 0.00 O ATOM 166 CB ARG A 14 -2.704 -8.582 -9.624 1.00 0.00 C ATOM 167 CG ARG A 14 -3.200 -9.865 -8.978 1.00 0.00 C ATOM 168 CD ARG A 14 -3.941 -10.740 -9.976 1.00 0.00 C ATOM 169 NE ARG A 14 -3.033 -11.375 -10.927 1.00 0.00 N ATOM 170 CZ ARG A 14 -2.265 -12.417 -10.628 1.00 0.00 C ATOM 171 NH1 ARG A 14 -2.296 -12.939 -9.409 1.00 0.00 N ATOM 172 NH2 ARG A 14 -1.464 -12.939 -11.548 1.00 0.00 N ATOM 0 H ARG A 14 -4.641 -8.216 -11.304 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.074 -7.310 -8.561 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.440 -8.786 -10.662 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.792 -8.261 -9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.355 -10.417 -8.566 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.860 -9.623 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.500 -11.508 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.669 -10.136 -10.518 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.986 -10.998 -11.873 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.910 -12.540 -8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.706 -13.739 -9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.437 -12.540 -12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.875 -13.739 -11.317 1.00 0.00 H new ATOM 186 N ALA A 15 -2.112 -5.658 -9.252 1.00 0.00 N ATOM 187 CA ALA A 15 -1.405 -4.425 -9.575 1.00 0.00 C ATOM 188 C ALA A 15 0.103 -4.648 -9.601 1.00 0.00 C ATOM 189 O ALA A 15 0.586 -5.734 -9.280 1.00 0.00 O ATOM 190 CB ALA A 15 -1.763 -3.335 -8.576 1.00 0.00 C ATOM 0 H ALA A 15 -1.811 -6.102 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.715 -4.106 -10.570 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.228 -2.420 -8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.836 -3.149 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.481 -3.654 -7.573 1.00 0.00 H new ATOM 196 N SER A 16 0.843 -3.612 -9.986 1.00 0.00 N ATOM 197 CA SER A 16 2.297 -3.697 -10.058 1.00 0.00 C ATOM 198 C SER A 16 2.944 -2.458 -9.447 1.00 0.00 C ATOM 199 O SER A 16 2.258 -1.589 -8.909 1.00 0.00 O ATOM 200 CB SER A 16 2.748 -3.857 -11.511 1.00 0.00 C ATOM 201 OG SER A 16 2.317 -5.097 -12.046 1.00 0.00 O ATOM 0 H SER A 16 0.460 -2.705 -10.252 1.00 0.00 H new ATOM 0 HA SER A 16 2.614 -4.570 -9.488 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.348 -3.040 -12.111 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.835 -3.791 -11.567 1.00 0.00 H new ATOM 0 HG SER A 16 2.617 -5.174 -12.976 1.00 0.00 H new ATOM 207 N GLN A 17 4.268 -2.385 -9.534 1.00 0.00 N ATOM 208 CA GLN A 17 5.008 -1.254 -8.988 1.00 0.00 C ATOM 209 C GLN A 17 4.525 0.058 -9.598 1.00 0.00 C ATOM 210 O GLN A 17 4.317 1.045 -8.892 1.00 0.00 O ATOM 211 CB GLN A 17 6.506 -1.427 -9.243 1.00 0.00 C ATOM 212 CG GLN A 17 7.341 -0.236 -8.798 1.00 0.00 C ATOM 213 CD GLN A 17 7.381 -0.082 -7.291 1.00 0.00 C ATOM 214 OE1 GLN A 17 7.686 -1.030 -6.566 1.00 0.00 O ATOM 215 NE2 GLN A 17 7.072 1.116 -6.810 1.00 0.00 N ATOM 0 H GLN A 17 4.850 -3.096 -9.977 1.00 0.00 H new ATOM 0 HA GLN A 17 4.831 -1.221 -7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.854 -2.319 -8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.668 -1.596 -10.308 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.358 -0.349 -9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.935 0.673 -9.242 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.825 1.873 -7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.081 1.279 -5.803 1.00 0.00 H new ATOM 224 N LYS A 18 4.347 0.062 -10.915 1.00 0.00 N ATOM 225 CA LYS A 18 3.887 1.252 -11.622 1.00 0.00 C ATOM 226 C LYS A 18 2.561 1.745 -11.052 1.00 0.00 C ATOM 227 O LYS A 18 2.463 2.873 -10.569 1.00 0.00 O ATOM 228 CB LYS A 18 3.734 0.955 -13.115 1.00 0.00 C ATOM 229 CG LYS A 18 3.274 2.153 -13.929 1.00 0.00 C ATOM 230 CD LYS A 18 2.666 1.726 -15.255 1.00 0.00 C ATOM 231 CE LYS A 18 2.629 2.877 -16.247 1.00 0.00 C ATOM 232 NZ LYS A 18 1.745 3.982 -15.783 1.00 0.00 N ATOM 0 H LYS A 18 4.514 -0.746 -11.515 1.00 0.00 H new ATOM 0 HA LYS A 18 4.633 2.035 -11.488 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.689 0.605 -13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.019 0.142 -13.244 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.541 2.722 -13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.120 2.816 -14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.244 0.902 -15.673 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.655 1.354 -15.090 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.639 3.259 -16.398 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.278 2.513 -17.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.680 4.709 -16.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.796 3.606 -15.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.141 4.403 -14.918 1.00 0.00 H new ATOM 246 N ASP A 19 1.544 0.892 -11.110 1.00 0.00 N ATOM 247 CA ASP A 19 0.224 1.240 -10.597 1.00 0.00 C ATOM 248 C ASP A 19 0.327 1.851 -9.203 1.00 0.00 C ATOM 249 O ASP A 19 -0.346 2.834 -8.894 1.00 0.00 O ATOM 250 CB ASP A 19 -0.675 0.003 -10.560 1.00 0.00 C ATOM 251 CG ASP A 19 -1.019 -0.504 -11.947 1.00 0.00 C ATOM 252 OD1 ASP A 19 -1.492 0.304 -12.773 1.00 0.00 O ATOM 253 OD2 ASP A 19 -0.816 -1.709 -12.206 1.00 0.00 O ATOM 0 H ASP A 19 1.608 -0.045 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.216 1.979 -11.267 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.176 -0.788 -10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.594 0.241 -10.025 1.00 0.00 H new ATOM 258 N PHE A 20 1.173 1.261 -8.365 1.00 0.00 N ATOM 259 CA PHE A 20 1.362 1.746 -7.002 1.00 0.00 C ATOM 260 C PHE A 20 1.789 3.211 -7.001 1.00 0.00 C ATOM 261 O PHE A 20 1.106 4.065 -6.437 1.00 0.00 O ATOM 262 CB PHE A 20 2.408 0.897 -6.277 1.00 0.00 C ATOM 263 CG PHE A 20 2.551 1.236 -4.821 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.136 2.429 -4.428 1.00 0.00 C ATOM 265 CD2 PHE A 20 2.101 0.362 -3.845 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.268 2.745 -3.089 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.230 0.672 -2.505 1.00 0.00 C ATOM 268 CZ PHE A 20 2.815 1.864 -2.126 1.00 0.00 C ATOM 0 H PHE A 20 1.738 0.447 -8.605 1.00 0.00 H new ATOM 0 HA PHE A 20 0.410 1.663 -6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.140 -0.155 -6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.373 1.026 -6.768 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.493 3.120 -5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.644 -0.573 -4.135 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.724 3.679 -2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.873 -0.018 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.918 2.107 -1.079 1.00 0.00 H new ATOM 278 N GLU A 21 2.922 3.491 -7.636 1.00 0.00 N ATOM 279 CA GLU A 21 3.441 4.852 -7.706 1.00 0.00 C ATOM 280 C GLU A 21 2.330 5.841 -8.051 1.00 0.00 C ATOM 281 O GLU A 21 2.388 7.011 -7.677 1.00 0.00 O ATOM 282 CB GLU A 21 4.560 4.942 -8.746 1.00 0.00 C ATOM 283 CG GLU A 21 5.930 4.581 -8.198 1.00 0.00 C ATOM 284 CD GLU A 21 7.048 4.887 -9.175 1.00 0.00 C ATOM 285 OE1 GLU A 21 7.552 6.030 -9.163 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.421 3.982 -9.952 1.00 0.00 O ATOM 0 H GLU A 21 3.498 2.795 -8.109 1.00 0.00 H new ATOM 0 HA GLU A 21 3.843 5.111 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.325 4.279 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.593 5.956 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.102 5.128 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.950 3.520 -7.950 1.00 0.00 H new ATOM 293 N ASN A 22 1.320 5.359 -8.769 1.00 0.00 N ATOM 294 CA ASN A 22 0.196 6.200 -9.166 1.00 0.00 C ATOM 295 C ASN A 22 -0.843 6.281 -8.052 1.00 0.00 C ATOM 296 O ASN A 22 -1.370 7.353 -7.758 1.00 0.00 O ATOM 297 CB ASN A 22 -0.448 5.655 -10.443 1.00 0.00 C ATOM 298 CG ASN A 22 0.363 5.977 -11.683 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.647 7.140 -11.968 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.740 4.944 -12.427 1.00 0.00 N ATOM 0 H ASN A 22 1.257 4.392 -9.087 1.00 0.00 H new ATOM 0 HA ASN A 22 0.574 7.204 -9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.561 4.574 -10.357 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.449 6.073 -10.548 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.288 5.098 -13.273 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.482 3.996 -12.152 1.00 0.00 H new ATOM 307 N SER A 23 -1.132 5.139 -7.436 1.00 0.00 N ATOM 308 CA SER A 23 -2.111 5.079 -6.357 1.00 0.00 C ATOM 309 C SER A 23 -1.683 5.959 -5.186 1.00 0.00 C ATOM 310 O SER A 23 -2.463 6.769 -4.687 1.00 0.00 O ATOM 311 CB SER A 23 -2.293 3.635 -5.884 1.00 0.00 C ATOM 312 OG SER A 23 -3.019 2.876 -6.834 1.00 0.00 O ATOM 0 H SER A 23 -0.702 4.243 -7.666 1.00 0.00 H new ATOM 0 HA SER A 23 -3.061 5.451 -6.741 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.318 3.178 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.817 3.625 -4.928 1.00 0.00 H new ATOM 0 HG SER A 23 -3.907 2.667 -6.476 1.00 0.00 H new ATOM 318 N MET A 24 -0.437 5.794 -4.754 1.00 0.00 N ATOM 319 CA MET A 24 0.096 6.573 -3.643 1.00 0.00 C ATOM 320 C MET A 24 -0.013 8.068 -3.926 1.00 0.00 C ATOM 321 O MET A 24 -0.266 8.863 -3.022 1.00 0.00 O ATOM 322 CB MET A 24 1.556 6.197 -3.383 1.00 0.00 C ATOM 323 CG MET A 24 2.432 6.264 -4.624 1.00 0.00 C ATOM 324 SD MET A 24 4.145 6.677 -4.243 1.00 0.00 S ATOM 325 CE MET A 24 4.418 8.052 -5.358 1.00 0.00 C ATOM 0 H MET A 24 0.222 5.128 -5.157 1.00 0.00 H new ATOM 0 HA MET A 24 -0.494 6.345 -2.756 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.965 6.864 -2.624 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.595 5.187 -2.975 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.400 5.304 -5.139 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.027 7.008 -5.310 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.341 8.564 -5.086 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.497 7.682 -6.380 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.583 8.749 -5.288 1.00 0.00 H new ATOM 335 N ASN A 25 0.179 8.443 -5.187 1.00 0.00 N ATOM 336 CA ASN A 25 0.103 9.843 -5.588 1.00 0.00 C ATOM 337 C ASN A 25 -1.295 10.404 -5.343 1.00 0.00 C ATOM 338 O ASN A 25 -1.451 11.463 -4.736 1.00 0.00 O ATOM 339 CB ASN A 25 0.472 9.993 -7.065 1.00 0.00 C ATOM 340 CG ASN A 25 0.658 11.442 -7.471 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.810 12.321 -6.622 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.647 11.698 -8.774 1.00 0.00 N ATOM 0 H ASN A 25 0.388 7.797 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 25 0.813 10.407 -4.983 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.391 9.442 -7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.309 9.544 -7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.768 12.655 -9.107 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.518 10.938 -9.442 1.00 0.00 H new ATOM 349 N GLN A 26 -2.307 9.685 -5.818 1.00 0.00 N ATOM 350 CA GLN A 26 -3.691 10.111 -5.649 1.00 0.00 C ATOM 351 C GLN A 26 -3.982 10.452 -4.192 1.00 0.00 C ATOM 352 O GLN A 26 -4.671 11.430 -3.898 1.00 0.00 O ATOM 353 CB GLN A 26 -4.646 9.016 -6.129 1.00 0.00 C ATOM 354 CG GLN A 26 -4.577 8.762 -7.627 1.00 0.00 C ATOM 355 CD GLN A 26 -5.498 7.643 -8.072 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.067 6.505 -8.258 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.775 7.962 -8.246 1.00 0.00 N ATOM 0 H GLN A 26 -2.195 8.806 -6.322 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.844 11.007 -6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.418 8.090 -5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.666 9.293 -5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.839 9.676 -8.159 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.552 8.515 -7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.089 8.918 -8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.442 7.251 -8.545 1.00 0.00 H new ATOM 366 N VAL A 27 -3.453 9.641 -3.282 1.00 0.00 N ATOM 367 CA VAL A 27 -3.656 9.858 -1.854 1.00 0.00 C ATOM 368 C VAL A 27 -3.079 11.199 -1.415 1.00 0.00 C ATOM 369 O VAL A 27 -3.564 11.815 -0.466 1.00 0.00 O ATOM 370 CB VAL A 27 -3.011 8.736 -1.019 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.223 8.986 0.466 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.570 7.381 -1.425 1.00 0.00 C ATOM 0 H VAL A 27 -2.881 8.828 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.732 9.855 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.938 8.734 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.760 8.183 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.770 9.938 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.291 9.017 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.103 6.600 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.648 7.368 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.360 7.202 -2.480 1.00 0.00 H new ATOM 382 N LYS A 28 -2.040 11.647 -2.112 1.00 0.00 N ATOM 383 CA LYS A 28 -1.397 12.917 -1.796 1.00 0.00 C ATOM 384 C LYS A 28 -2.054 14.064 -2.558 1.00 0.00 C ATOM 385 O LYS A 28 -1.932 15.228 -2.174 1.00 0.00 O ATOM 386 CB LYS A 28 0.094 12.854 -2.134 1.00 0.00 C ATOM 387 CG LYS A 28 0.836 11.745 -1.409 1.00 0.00 C ATOM 388 CD LYS A 28 2.167 11.436 -2.074 1.00 0.00 C ATOM 389 CE LYS A 28 2.940 10.374 -1.307 1.00 0.00 C ATOM 390 NZ LYS A 28 4.257 10.083 -1.938 1.00 0.00 N ATOM 0 H LYS A 28 -1.625 11.149 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.514 13.100 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.209 12.714 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.555 13.810 -1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.005 12.037 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.220 10.846 -1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.994 11.096 -3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.763 12.346 -2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.095 10.707 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.350 9.459 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.753 9.355 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.109 9.741 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.830 10.950 -1.961 1.00 0.00 H new ATOM 404 N LEU A 29 -2.751 13.728 -3.638 1.00 0.00 N ATOM 405 CA LEU A 29 -3.428 14.730 -4.453 1.00 0.00 C ATOM 406 C LEU A 29 -4.661 15.272 -3.736 1.00 0.00 C ATOM 407 O LEU A 29 -4.949 16.469 -3.793 1.00 0.00 O ATOM 408 CB LEU A 29 -3.831 14.131 -5.802 1.00 0.00 C ATOM 409 CG LEU A 29 -2.799 14.250 -6.924 1.00 0.00 C ATOM 410 CD1 LEU A 29 -1.389 14.255 -6.354 1.00 0.00 C ATOM 411 CD2 LEU A 29 -2.968 13.118 -7.926 1.00 0.00 C ATOM 0 H LEU A 29 -2.862 12.770 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.736 15.555 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.058 13.075 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.752 14.612 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.962 15.195 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.668 14.340 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.273 15.101 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.213 13.327 -5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.225 13.219 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.833 12.162 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.967 13.161 -8.359 1.00 0.00 H new ATOM 423 N LEU A 30 -5.384 14.386 -3.061 1.00 0.00 N ATOM 424 CA LEU A 30 -6.585 14.775 -2.330 1.00 0.00 C ATOM 425 C LEU A 30 -6.226 15.559 -1.072 1.00 0.00 C ATOM 426 O LEU A 30 -5.344 15.161 -0.310 1.00 0.00 O ATOM 427 CB LEU A 30 -7.403 13.538 -1.959 1.00 0.00 C ATOM 428 CG LEU A 30 -6.922 12.757 -0.735 1.00 0.00 C ATOM 429 CD1 LEU A 30 -7.525 13.333 0.537 1.00 0.00 C ATOM 430 CD2 LEU A 30 -7.271 11.282 -0.873 1.00 0.00 C ATOM 0 H LEU A 30 -5.160 13.393 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.183 15.417 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.434 13.847 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.412 12.863 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.838 12.849 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.171 12.764 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.224 14.375 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.612 13.272 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.921 10.742 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.352 11.171 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.790 10.876 -1.763 1.00 0.00 H new ATOM 442 N LYS A 31 -6.917 16.673 -0.857 1.00 0.00 N ATOM 443 CA LYS A 31 -6.675 17.511 0.311 1.00 0.00 C ATOM 444 C LYS A 31 -7.741 17.280 1.377 1.00 0.00 C ATOM 445 O LYS A 31 -7.767 17.961 2.402 1.00 0.00 O ATOM 446 CB LYS A 31 -6.653 18.988 -0.091 1.00 0.00 C ATOM 447 CG LYS A 31 -5.447 19.372 -0.930 1.00 0.00 C ATOM 448 CD LYS A 31 -5.652 19.022 -2.395 1.00 0.00 C ATOM 449 CE LYS A 31 -4.414 19.334 -3.221 1.00 0.00 C ATOM 450 NZ LYS A 31 -4.059 20.779 -3.167 1.00 0.00 N ATOM 0 H LYS A 31 -7.650 17.017 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.705 17.239 0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.561 19.218 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.668 19.601 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.261 20.442 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.562 18.859 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.895 17.963 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.503 19.579 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.576 18.741 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.586 19.041 -4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.320 20.981 -3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.902 21.352 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.707 21.015 -2.217 1.00 0.00 H new ATOM 464 N LYS A 32 -8.620 16.314 1.129 1.00 0.00 N ATOM 465 CA LYS A 32 -9.687 15.990 2.068 1.00 0.00 C ATOM 466 C LYS A 32 -9.169 15.100 3.194 1.00 0.00 C ATOM 467 O LYS A 32 -8.274 14.280 2.988 1.00 0.00 O ATOM 468 CB LYS A 32 -10.839 15.293 1.342 1.00 0.00 C ATOM 469 CG LYS A 32 -11.807 14.586 2.275 1.00 0.00 C ATOM 470 CD LYS A 32 -12.735 15.571 2.966 1.00 0.00 C ATOM 471 CE LYS A 32 -13.940 14.869 3.573 1.00 0.00 C ATOM 472 NZ LYS A 32 -15.031 15.826 3.906 1.00 0.00 N ATOM 0 H LYS A 32 -8.614 15.742 0.285 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.050 16.921 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.386 16.030 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.429 14.567 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.397 13.864 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.248 14.025 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.189 16.100 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.072 16.320 2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.314 14.121 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.635 14.338 4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.834 15.308 4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.682 16.525 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.340 16.314 3.041 1.00 0.00 H new ATOM 486 N ASP A 33 -9.738 15.266 4.383 1.00 0.00 N ATOM 487 CA ASP A 33 -9.336 14.476 5.540 1.00 0.00 C ATOM 488 C ASP A 33 -10.361 13.386 5.837 1.00 0.00 C ATOM 489 O ASP A 33 -11.367 13.612 6.510 1.00 0.00 O ATOM 490 CB ASP A 33 -9.163 15.377 6.764 1.00 0.00 C ATOM 491 CG ASP A 33 -8.107 16.445 6.553 1.00 0.00 C ATOM 492 OD1 ASP A 33 -8.163 17.136 5.514 1.00 0.00 O ATOM 493 OD2 ASP A 33 -7.225 16.589 7.425 1.00 0.00 O ATOM 0 H ASP A 33 -10.479 15.941 4.570 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.383 14.000 5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.115 15.853 6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.891 14.767 7.625 1.00 0.00 H new ATOM 498 N PRO A 34 -10.102 12.174 5.323 1.00 0.00 N ATOM 499 CA PRO A 34 -10.990 11.025 5.519 1.00 0.00 C ATOM 500 C PRO A 34 -10.981 10.524 6.959 1.00 0.00 C ATOM 501 O PRO A 34 -12.032 10.277 7.548 1.00 0.00 O ATOM 502 CB PRO A 34 -10.410 9.964 4.580 1.00 0.00 C ATOM 503 CG PRO A 34 -8.974 10.333 4.433 1.00 0.00 C ATOM 504 CD PRO A 34 -8.921 11.833 4.511 1.00 0.00 C ATOM 0 HA PRO A 34 -12.031 11.274 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.521 8.963 4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.920 9.966 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.372 9.880 5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.575 9.977 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.999 12.179 4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.968 12.289 3.522 1.00 0.00 H new ATOM 512 N GLY A 35 -9.785 10.376 7.522 1.00 0.00 N ATOM 513 CA GLY A 35 -9.661 9.905 8.889 1.00 0.00 C ATOM 514 C GLY A 35 -8.353 9.183 9.137 1.00 0.00 C ATOM 515 O GLY A 35 -7.916 8.376 8.317 1.00 0.00 O ATOM 0 H GLY A 35 -8.900 10.574 7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.740 10.752 9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.491 9.235 9.116 1.00 0.00 H new ATOM 519 N ASN A 36 -7.724 9.474 10.271 1.00 0.00 N ATOM 520 CA ASN A 36 -6.455 8.847 10.624 1.00 0.00 C ATOM 521 C ASN A 36 -6.526 7.334 10.440 1.00 0.00 C ATOM 522 O ASN A 36 -5.499 6.663 10.335 1.00 0.00 O ATOM 523 CB ASN A 36 -6.083 9.179 12.071 1.00 0.00 C ATOM 524 CG ASN A 36 -5.314 10.480 12.186 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.727 11.508 11.649 1.00 0.00 O ATOM 526 ND2 ASN A 36 -4.188 10.442 12.889 1.00 0.00 N ATOM 0 H ASN A 36 -8.072 10.140 10.961 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.686 9.241 9.959 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.991 9.242 12.671 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.483 8.368 12.484 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.628 11.287 13.001 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.883 9.568 13.317 1.00 0.00 H new ATOM 533 N GLU A 37 -7.744 6.804 10.401 1.00 0.00 N ATOM 534 CA GLU A 37 -7.949 5.371 10.230 1.00 0.00 C ATOM 535 C GLU A 37 -7.347 4.889 8.913 1.00 0.00 C ATOM 536 O GLU A 37 -6.703 3.842 8.858 1.00 0.00 O ATOM 537 CB GLU A 37 -9.441 5.037 10.274 1.00 0.00 C ATOM 538 CG GLU A 37 -10.226 5.602 9.102 1.00 0.00 C ATOM 539 CD GLU A 37 -11.709 5.299 9.193 1.00 0.00 C ATOM 540 OE1 GLU A 37 -12.060 4.127 9.444 1.00 0.00 O ATOM 541 OE2 GLU A 37 -12.518 6.233 9.013 1.00 0.00 O ATOM 0 H GLU A 37 -8.604 7.346 10.486 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.446 4.858 11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.562 3.954 10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.864 5.421 11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.081 6.682 9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.831 5.191 8.173 1.00 0.00 H new ATOM 548 N VAL A 38 -7.562 5.662 7.853 1.00 0.00 N ATOM 549 CA VAL A 38 -7.042 5.316 6.536 1.00 0.00 C ATOM 550 C VAL A 38 -5.593 5.764 6.383 1.00 0.00 C ATOM 551 O VAL A 38 -4.769 5.053 5.807 1.00 0.00 O ATOM 552 CB VAL A 38 -7.885 5.951 5.414 1.00 0.00 C ATOM 553 CG1 VAL A 38 -8.153 7.418 5.712 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.192 5.789 4.070 1.00 0.00 C ATOM 0 H VAL A 38 -8.093 6.532 7.881 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.096 4.231 6.450 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.843 5.434 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.750 7.849 4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.695 7.505 6.653 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.206 7.953 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.802 6.243 3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.219 6.278 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.058 4.729 3.855 1.00 0.00 H new ATOM 564 N LYS A 39 -5.287 6.948 6.902 1.00 0.00 N ATOM 565 CA LYS A 39 -3.937 7.493 6.826 1.00 0.00 C ATOM 566 C LYS A 39 -2.910 6.471 7.305 1.00 0.00 C ATOM 567 O LYS A 39 -1.728 6.560 6.970 1.00 0.00 O ATOM 568 CB LYS A 39 -3.831 8.769 7.664 1.00 0.00 C ATOM 569 CG LYS A 39 -4.341 10.009 6.951 1.00 0.00 C ATOM 570 CD LYS A 39 -5.840 10.180 7.132 1.00 0.00 C ATOM 571 CE LYS A 39 -6.240 11.647 7.113 1.00 0.00 C ATOM 572 NZ LYS A 39 -5.564 12.420 8.191 1.00 0.00 N ATOM 0 H LYS A 39 -5.957 7.550 7.381 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.727 7.732 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.393 8.634 8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.789 8.924 7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.825 10.889 7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.107 9.941 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.366 9.648 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.147 9.730 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.989 12.079 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.321 11.730 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.174 13.208 8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.383 11.797 9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.662 12.796 7.835 1.00 0.00 H new ATOM 586 N LEU A 40 -3.369 5.500 8.087 1.00 0.00 N ATOM 587 CA LEU A 40 -2.491 4.460 8.611 1.00 0.00 C ATOM 588 C LEU A 40 -2.444 3.262 7.669 1.00 0.00 C ATOM 589 O LEU A 40 -1.370 2.761 7.336 1.00 0.00 O ATOM 590 CB LEU A 40 -2.963 4.016 9.996 1.00 0.00 C ATOM 591 CG LEU A 40 -2.789 5.035 11.123 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.705 4.701 12.291 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.338 5.085 11.578 1.00 0.00 C ATOM 0 H LEU A 40 -4.344 5.411 8.372 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.486 4.875 8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.019 3.753 9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.424 3.108 10.268 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.063 6.019 10.743 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.567 5.437 13.083 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.742 4.718 11.956 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.463 3.709 12.671 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.233 5.815 12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.036 4.102 11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.704 5.373 10.740 1.00 0.00 H new ATOM 605 N LYS A 41 -3.617 2.807 7.239 1.00 0.00 N ATOM 606 CA LYS A 41 -3.711 1.670 6.332 1.00 0.00 C ATOM 607 C LYS A 41 -2.850 1.889 5.093 1.00 0.00 C ATOM 608 O LYS A 41 -2.273 0.946 4.550 1.00 0.00 O ATOM 609 CB LYS A 41 -5.167 1.439 5.920 1.00 0.00 C ATOM 610 CG LYS A 41 -5.567 2.182 4.657 1.00 0.00 C ATOM 611 CD LYS A 41 -7.075 2.200 4.474 1.00 0.00 C ATOM 612 CE LYS A 41 -7.624 0.802 4.235 1.00 0.00 C ATOM 613 NZ LYS A 41 -6.928 0.118 3.110 1.00 0.00 N ATOM 0 H LYS A 41 -4.516 3.209 7.505 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.344 0.788 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.328 0.371 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.820 1.749 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.193 3.205 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.100 1.709 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.545 2.630 5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.333 2.842 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.516 0.209 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.691 0.863 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.632 -0.269 2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.323 0.800 2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.342 -0.655 3.484 1.00 0.00 H new ATOM 627 N LEU A 42 -2.766 3.139 4.650 1.00 0.00 N ATOM 628 CA LEU A 42 -1.973 3.483 3.475 1.00 0.00 C ATOM 629 C LEU A 42 -0.481 3.366 3.771 1.00 0.00 C ATOM 630 O LEU A 42 0.322 3.111 2.873 1.00 0.00 O ATOM 631 CB LEU A 42 -2.303 4.903 3.010 1.00 0.00 C ATOM 632 CG LEU A 42 -3.437 5.029 1.993 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.103 4.261 0.723 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.747 4.535 2.589 1.00 0.00 C ATOM 0 H LEU A 42 -3.237 3.931 5.087 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.223 2.780 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.559 5.500 3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.403 5.340 2.577 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.553 6.082 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.922 4.362 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.189 4.662 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.958 3.207 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.543 4.633 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.644 3.488 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.994 5.130 3.469 1.00 0.00 H new ATOM 646 N TYR A 43 -0.118 3.552 5.035 1.00 0.00 N ATOM 647 CA TYR A 43 1.277 3.467 5.450 1.00 0.00 C ATOM 648 C TYR A 43 1.664 2.027 5.771 1.00 0.00 C ATOM 649 O TYR A 43 2.810 1.623 5.580 1.00 0.00 O ATOM 650 CB TYR A 43 1.523 4.358 6.669 1.00 0.00 C ATOM 651 CG TYR A 43 2.588 3.826 7.602 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.266 2.941 8.624 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.916 4.208 7.461 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.235 2.454 9.478 1.00 0.00 C ATOM 655 CE2 TYR A 43 4.893 3.724 8.310 1.00 0.00 C ATOM 656 CZ TYR A 43 4.547 2.848 9.318 1.00 0.00 C ATOM 657 OH TYR A 43 5.516 2.364 10.166 1.00 0.00 O ATOM 0 H TYR A 43 -0.771 3.763 5.790 1.00 0.00 H new ATOM 0 HA TYR A 43 1.897 3.814 4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.813 5.352 6.329 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.590 4.469 7.222 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.240 2.629 8.752 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.190 4.895 6.674 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.967 1.768 10.268 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.921 4.030 8.185 1.00 0.00 H new ATOM 0 HH TYR A 43 6.386 2.739 9.916 1.00 0.00 H new ATOM 667 N ALA A 44 0.697 1.257 6.261 1.00 0.00 N ATOM 668 CA ALA A 44 0.934 -0.139 6.607 1.00 0.00 C ATOM 669 C ALA A 44 1.399 -0.934 5.392 1.00 0.00 C ATOM 670 O ALA A 44 2.319 -1.748 5.485 1.00 0.00 O ATOM 671 CB ALA A 44 -0.325 -0.758 7.196 1.00 0.00 C ATOM 0 H ALA A 44 -0.257 1.577 6.427 1.00 0.00 H new ATOM 0 HA ALA A 44 1.726 -0.173 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.133 -1.801 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.612 -0.213 8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.132 -0.705 6.466 1.00 0.00 H new ATOM 677 N LEU A 45 0.758 -0.695 4.254 1.00 0.00 N ATOM 678 CA LEU A 45 1.105 -1.390 3.019 1.00 0.00 C ATOM 679 C LEU A 45 2.436 -0.889 2.468 1.00 0.00 C ATOM 680 O LEU A 45 3.309 -1.680 2.109 1.00 0.00 O ATOM 681 CB LEU A 45 0.003 -1.199 1.975 1.00 0.00 C ATOM 682 CG LEU A 45 -1.252 -2.052 2.160 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.876 -3.498 2.448 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.119 -1.492 3.278 1.00 0.00 C ATOM 0 H LEU A 45 -0.005 -0.025 4.160 1.00 0.00 H new ATOM 0 HA LEU A 45 1.203 -2.452 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.292 -0.150 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.421 -1.412 0.991 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.827 -2.024 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.782 -4.091 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.297 -3.896 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.279 -3.544 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.008 -2.112 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.554 -1.489 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.418 -0.473 3.031 1.00 0.00 H new ATOM 696 N TYR A 46 2.585 0.430 2.405 1.00 0.00 N ATOM 697 CA TYR A 46 3.810 1.037 1.898 1.00 0.00 C ATOM 698 C TYR A 46 5.041 0.340 2.468 1.00 0.00 C ATOM 699 O TYR A 46 5.898 -0.140 1.726 1.00 0.00 O ATOM 700 CB TYR A 46 3.847 2.526 2.245 1.00 0.00 C ATOM 701 CG TYR A 46 5.201 3.165 2.029 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.640 3.494 0.753 1.00 0.00 C ATOM 703 CD2 TYR A 46 6.041 3.438 3.101 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.876 4.077 0.550 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.278 4.021 2.909 1.00 0.00 C ATOM 706 CZ TYR A 46 7.691 4.339 1.632 1.00 0.00 C ATOM 707 OH TYR A 46 8.923 4.919 1.435 1.00 0.00 O ATOM 0 H TYR A 46 1.873 1.099 2.699 1.00 0.00 H new ATOM 0 HA TYR A 46 3.820 0.922 0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.107 3.050 1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.556 2.655 3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.004 3.290 -0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.721 3.190 4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.202 4.326 -0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.918 4.227 3.754 1.00 0.00 H new ATOM 0 HH TYR A 46 9.371 5.037 2.299 1.00 0.00 H new ATOM 717 N LYS A 47 5.121 0.286 3.794 1.00 0.00 N ATOM 718 CA LYS A 47 6.245 -0.354 4.467 1.00 0.00 C ATOM 719 C LYS A 47 6.209 -1.866 4.269 1.00 0.00 C ATOM 720 O LYS A 47 7.187 -2.560 4.545 1.00 0.00 O ATOM 721 CB LYS A 47 6.226 -0.024 5.961 1.00 0.00 C ATOM 722 CG LYS A 47 6.169 1.465 6.255 1.00 0.00 C ATOM 723 CD LYS A 47 7.506 2.137 5.990 1.00 0.00 C ATOM 724 CE LYS A 47 8.424 2.050 7.200 1.00 0.00 C ATOM 725 NZ LYS A 47 9.359 3.207 7.271 1.00 0.00 N ATOM 0 H LYS A 47 4.421 0.678 4.423 1.00 0.00 H new ATOM 0 HA LYS A 47 7.166 0.030 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.365 -0.510 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.116 -0.444 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.399 1.929 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.882 1.621 7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.987 1.666 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.343 3.183 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.824 2.012 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.996 1.123 7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.967 3.111 8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.949 3.229 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.814 4.090 7.339 1.00 0.00 H new ATOM 739 N GLN A 48 5.077 -2.368 3.787 1.00 0.00 N ATOM 740 CA GLN A 48 4.915 -3.798 3.551 1.00 0.00 C ATOM 741 C GLN A 48 5.363 -4.171 2.142 1.00 0.00 C ATOM 742 O GLN A 48 5.817 -5.289 1.900 1.00 0.00 O ATOM 743 CB GLN A 48 3.457 -4.209 3.761 1.00 0.00 C ATOM 744 CG GLN A 48 3.272 -5.700 3.991 1.00 0.00 C ATOM 745 CD GLN A 48 3.551 -6.108 5.424 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.552 -5.274 6.330 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.788 -7.397 5.638 1.00 0.00 N ATOM 0 H GLN A 48 4.259 -1.806 3.552 1.00 0.00 H new ATOM 0 HA GLN A 48 5.542 -4.332 4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.055 -3.665 4.616 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.875 -3.909 2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.252 -5.980 3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.935 -6.252 3.324 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.777 -8.054 4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.981 -7.730 6.583 1.00 0.00 H new ATOM 756 N ALA A 49 5.233 -3.227 1.215 1.00 0.00 N ATOM 757 CA ALA A 49 5.627 -3.457 -0.169 1.00 0.00 C ATOM 758 C ALA A 49 6.986 -2.833 -0.464 1.00 0.00 C ATOM 759 O ALA A 49 7.438 -2.814 -1.610 1.00 0.00 O ATOM 760 CB ALA A 49 4.573 -2.903 -1.116 1.00 0.00 C ATOM 0 H ALA A 49 4.858 -2.296 1.398 1.00 0.00 H new ATOM 0 HA ALA A 49 5.710 -4.533 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.880 -3.082 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.620 -3.399 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.463 -1.831 -0.951 1.00 0.00 H new ATOM 766 N THR A 50 7.636 -2.321 0.577 1.00 0.00 N ATOM 767 CA THR A 50 8.943 -1.694 0.429 1.00 0.00 C ATOM 768 C THR A 50 9.968 -2.334 1.358 1.00 0.00 C ATOM 769 O THR A 50 11.119 -2.545 0.976 1.00 0.00 O ATOM 770 CB THR A 50 8.878 -0.182 0.718 1.00 0.00 C ATOM 771 OG1 THR A 50 8.343 0.043 2.027 1.00 0.00 O ATOM 772 CG2 THR A 50 8.018 0.529 -0.316 1.00 0.00 C ATOM 0 H THR A 50 7.278 -2.329 1.532 1.00 0.00 H new ATOM 0 HA THR A 50 9.250 -1.845 -0.606 1.00 0.00 H new ATOM 0 HB THR A 50 9.890 0.221 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.438 0.411 1.952 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.987 1.595 -0.092 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.444 0.379 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.007 0.123 -0.290 1.00 0.00 H new ATOM 780 N GLU A 51 9.542 -2.640 2.580 1.00 0.00 N ATOM 781 CA GLU A 51 10.425 -3.256 3.563 1.00 0.00 C ATOM 782 C GLU A 51 9.989 -4.687 3.865 1.00 0.00 C ATOM 783 O GLU A 51 10.820 -5.570 4.074 1.00 0.00 O ATOM 784 CB GLU A 51 10.440 -2.434 4.853 1.00 0.00 C ATOM 785 CG GLU A 51 10.649 -0.946 4.625 1.00 0.00 C ATOM 786 CD GLU A 51 11.354 -0.270 5.785 1.00 0.00 C ATOM 787 OE1 GLU A 51 11.292 -0.808 6.910 1.00 0.00 O ATOM 788 OE2 GLU A 51 11.968 0.795 5.567 1.00 0.00 O ATOM 0 H GLU A 51 8.592 -2.472 2.912 1.00 0.00 H new ATOM 0 HA GLU A 51 11.431 -3.281 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.498 -2.583 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.231 -2.808 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.232 -0.800 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.683 -0.468 4.464 1.00 0.00 H new ATOM 795 N GLY A 52 8.678 -4.908 3.886 1.00 0.00 N ATOM 796 CA GLY A 52 8.154 -6.233 4.164 1.00 0.00 C ATOM 797 C GLY A 52 7.366 -6.285 5.458 1.00 0.00 C ATOM 798 O GLY A 52 6.689 -5.329 5.836 1.00 0.00 O ATOM 0 H GLY A 52 7.970 -4.194 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.514 -6.548 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.979 -6.943 4.216 1.00 0.00 H new ATOM 802 N PRO A 53 7.448 -7.425 6.159 1.00 0.00 N ATOM 803 CA PRO A 53 6.742 -7.627 7.428 1.00 0.00 C ATOM 804 C PRO A 53 7.321 -6.777 8.554 1.00 0.00 C ATOM 805 O PRO A 53 8.537 -6.613 8.659 1.00 0.00 O ATOM 806 CB PRO A 53 6.952 -9.115 7.719 1.00 0.00 C ATOM 807 CG PRO A 53 8.208 -9.468 7.000 1.00 0.00 C ATOM 808 CD PRO A 53 8.236 -8.606 5.768 1.00 0.00 C ATOM 0 HA PRO A 53 5.694 -7.336 7.362 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.043 -9.300 8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.111 -9.711 7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.081 -9.283 7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.223 -10.526 6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.255 -8.335 5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.797 -9.116 4.911 1.00 0.00 H new ATOM 816 N CYS A 54 6.444 -6.240 9.395 1.00 0.00 N ATOM 817 CA CYS A 54 6.868 -5.407 10.514 1.00 0.00 C ATOM 818 C CYS A 54 8.018 -6.060 11.273 1.00 0.00 C ATOM 819 O CYS A 54 7.818 -7.016 12.021 1.00 0.00 O ATOM 820 CB CYS A 54 5.695 -5.153 11.462 1.00 0.00 C ATOM 821 SG CYS A 54 6.169 -4.413 13.042 1.00 0.00 S ATOM 0 H CYS A 54 5.434 -6.367 9.323 1.00 0.00 H new ATOM 0 HA CYS A 54 7.215 -4.454 10.114 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.977 -4.499 10.967 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.186 -6.097 11.654 1.00 0.00 H new ATOM 0 HG CYS A 54 5.308 -3.494 13.366 1.00 0.00 H new ATOM 827 N ASN A 55 9.224 -5.538 11.073 1.00 0.00 N ATOM 828 CA ASN A 55 10.408 -6.073 11.737 1.00 0.00 C ATOM 829 C ASN A 55 11.044 -5.023 12.643 1.00 0.00 C ATOM 830 O ASN A 55 12.193 -5.164 13.062 1.00 0.00 O ATOM 831 CB ASN A 55 11.426 -6.553 10.701 1.00 0.00 C ATOM 832 CG ASN A 55 12.378 -5.453 10.273 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.490 -5.343 10.789 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.944 -4.631 9.325 1.00 0.00 N ATOM 0 H ASN A 55 9.407 -4.746 10.457 1.00 0.00 H new ATOM 0 HA ASN A 55 10.099 -6.919 12.351 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.998 -7.384 11.115 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.898 -6.934 9.826 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.540 -3.871 8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.015 -4.759 8.925 1.00 0.00 H new ATOM 841 N MET A 56 10.288 -3.972 12.943 1.00 0.00 N ATOM 842 CA MET A 56 10.777 -2.899 13.801 1.00 0.00 C ATOM 843 C MET A 56 10.358 -3.128 15.250 1.00 0.00 C ATOM 844 O MET A 56 9.364 -3.795 15.535 1.00 0.00 O ATOM 845 CB MET A 56 10.253 -1.547 13.313 1.00 0.00 C ATOM 846 CG MET A 56 8.795 -1.580 12.883 1.00 0.00 C ATOM 847 SD MET A 56 8.112 0.067 12.617 1.00 0.00 S ATOM 848 CE MET A 56 8.691 0.914 14.085 1.00 0.00 C ATOM 0 H MET A 56 9.335 -3.840 12.605 1.00 0.00 H new ATOM 0 HA MET A 56 11.866 -2.897 13.752 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.372 -0.812 14.109 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.863 -1.211 12.475 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.704 -2.159 11.964 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.207 -2.094 13.644 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.050 1.773 14.286 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.661 0.232 14.934 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.715 1.254 13.929 1.00 0.00 H new ATOM 858 N PRO A 57 11.133 -2.562 16.187 1.00 0.00 N ATOM 859 CA PRO A 57 10.861 -2.691 17.622 1.00 0.00 C ATOM 860 C PRO A 57 9.615 -1.921 18.047 1.00 0.00 C ATOM 861 O PRO A 57 9.444 -0.754 17.694 1.00 0.00 O ATOM 862 CB PRO A 57 12.109 -2.092 18.275 1.00 0.00 C ATOM 863 CG PRO A 57 12.652 -1.148 17.258 1.00 0.00 C ATOM 864 CD PRO A 57 12.334 -1.754 15.919 1.00 0.00 C ATOM 0 HA PRO A 57 10.668 -3.725 17.909 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.861 -1.576 19.202 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.835 -2.866 18.525 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.197 -0.162 17.358 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.727 -1.017 17.382 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.144 -0.989 15.167 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.156 -2.367 15.550 1.00 0.00 H new ATOM 872 N LYS A 58 8.748 -2.581 18.807 1.00 0.00 N ATOM 873 CA LYS A 58 7.518 -1.958 19.283 1.00 0.00 C ATOM 874 C LYS A 58 7.820 -0.683 20.063 1.00 0.00 C ATOM 875 O LYS A 58 8.608 -0.677 21.010 1.00 0.00 O ATOM 876 CB LYS A 58 6.736 -2.934 20.165 1.00 0.00 C ATOM 877 CG LYS A 58 5.345 -2.445 20.529 1.00 0.00 C ATOM 878 CD LYS A 58 4.443 -3.592 20.952 1.00 0.00 C ATOM 879 CE LYS A 58 3.131 -3.085 21.530 1.00 0.00 C ATOM 880 NZ LYS A 58 3.217 -2.878 23.002 1.00 0.00 N ATOM 0 H LYS A 58 8.874 -3.548 19.107 1.00 0.00 H new ATOM 0 HA LYS A 58 6.913 -1.697 18.415 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.652 -3.890 19.648 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.299 -3.115 21.080 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.414 -1.718 21.338 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.904 -1.930 19.675 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.240 -4.232 20.094 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.956 -4.205 21.693 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.860 -2.147 21.046 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.337 -3.798 21.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.303 -2.532 23.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.451 -3.779 23.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.957 -2.178 23.211 1.00 0.00 H new ATOM 894 N PRO A 59 7.180 0.425 19.659 1.00 0.00 N ATOM 895 CA PRO A 59 7.363 1.726 20.308 1.00 0.00 C ATOM 896 C PRO A 59 6.756 1.767 21.706 1.00 0.00 C ATOM 897 O PRO A 59 6.059 0.841 22.118 1.00 0.00 O ATOM 898 CB PRO A 59 6.628 2.693 19.377 1.00 0.00 C ATOM 899 CG PRO A 59 5.610 1.854 18.686 1.00 0.00 C ATOM 900 CD PRO A 59 6.228 0.491 18.538 1.00 0.00 C ATOM 0 HA PRO A 59 8.417 1.967 20.449 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.160 3.503 19.937 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.312 3.153 18.664 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.688 1.804 19.265 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.353 2.274 17.713 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.479 -0.299 18.600 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.730 0.380 17.577 1.00 0.00 H new ATOM 908 N GLY A 60 7.026 2.848 22.432 1.00 0.00 N ATOM 909 CA GLY A 60 6.498 2.989 23.777 1.00 0.00 C ATOM 910 C GLY A 60 5.132 3.647 23.797 1.00 0.00 C ATOM 911 O GLY A 60 4.788 4.408 22.893 1.00 0.00 O ATOM 0 H GLY A 60 7.601 3.628 22.113 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.431 2.006 24.243 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.191 3.579 24.376 1.00 0.00 H new ATOM 915 N VAL A 61 4.351 3.352 24.831 1.00 0.00 N ATOM 916 CA VAL A 61 3.014 3.919 24.965 1.00 0.00 C ATOM 917 C VAL A 61 3.045 5.437 24.827 1.00 0.00 C ATOM 918 O VAL A 61 2.269 6.018 24.068 1.00 0.00 O ATOM 919 CB VAL A 61 2.382 3.551 26.321 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.992 2.081 26.346 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.336 3.877 27.460 1.00 0.00 C ATOM 0 H VAL A 61 4.621 2.724 25.588 1.00 0.00 H new ATOM 0 HA VAL A 61 2.409 3.496 24.163 1.00 0.00 H new ATOM 0 HB VAL A 61 1.478 4.145 26.454 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.547 1.839 27.311 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.270 1.883 25.554 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.879 1.467 26.191 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.873 3.611 28.410 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.259 3.311 27.335 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.561 4.944 27.452 1.00 0.00 H new ATOM 931 N PHE A 62 3.947 6.075 25.565 1.00 0.00 N ATOM 932 CA PHE A 62 4.080 7.526 25.526 1.00 0.00 C ATOM 933 C PHE A 62 4.061 8.035 24.087 1.00 0.00 C ATOM 934 O PHE A 62 3.552 9.121 23.808 1.00 0.00 O ATOM 935 CB PHE A 62 5.374 7.961 26.216 1.00 0.00 C ATOM 936 CG PHE A 62 5.663 7.203 27.480 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.676 7.024 28.436 1.00 0.00 C ATOM 938 CD2 PHE A 62 6.921 6.671 27.713 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.940 6.328 29.601 1.00 0.00 C ATOM 940 CE2 PHE A 62 7.190 5.974 28.876 1.00 0.00 C ATOM 941 CZ PHE A 62 6.197 5.802 29.821 1.00 0.00 C ATOM 0 H PHE A 62 4.597 5.609 26.198 1.00 0.00 H new ATOM 0 HA PHE A 62 3.232 7.958 26.057 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.207 7.830 25.525 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.314 9.025 26.445 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.690 7.432 28.269 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.701 6.802 26.977 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.163 6.196 30.339 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.175 5.565 29.046 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.404 5.257 30.730 1.00 0.00 H new ATOM 951 N ASP A 63 4.620 7.243 23.179 1.00 0.00 N ATOM 952 CA ASP A 63 4.667 7.612 21.769 1.00 0.00 C ATOM 953 C ASP A 63 3.462 7.053 21.020 1.00 0.00 C ATOM 954 O ASP A 63 3.541 5.993 20.396 1.00 0.00 O ATOM 955 CB ASP A 63 5.961 7.103 21.130 1.00 0.00 C ATOM 956 CG ASP A 63 7.137 8.022 21.393 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.014 8.910 22.263 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.182 7.853 20.731 1.00 0.00 O ATOM 0 H ASP A 63 5.047 6.342 23.394 1.00 0.00 H new ATOM 0 HA ASP A 63 4.641 8.700 21.703 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.187 6.109 21.516 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.816 7.002 20.054 1.00 0.00 H new ATOM 963 N LEU A 64 2.346 7.771 21.086 1.00 0.00 N ATOM 964 CA LEU A 64 1.122 7.346 20.415 1.00 0.00 C ATOM 965 C LEU A 64 1.247 7.505 18.903 1.00 0.00 C ATOM 966 O LEU A 64 0.452 6.951 18.143 1.00 0.00 O ATOM 967 CB LEU A 64 -0.071 8.156 20.927 1.00 0.00 C ATOM 968 CG LEU A 64 -0.218 8.246 22.446 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.374 9.162 22.817 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.419 6.861 23.046 1.00 0.00 C ATOM 0 H LEU A 64 2.263 8.650 21.597 1.00 0.00 H new ATOM 0 HA LEU A 64 0.961 6.292 20.639 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.004 9.168 20.529 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.983 7.720 20.519 1.00 0.00 H new ATOM 0 HG LEU A 64 0.700 8.668 22.856 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.463 9.214 23.902 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.189 10.160 22.420 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.299 8.769 22.395 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.522 6.945 24.128 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.320 6.411 22.630 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.441 6.234 22.811 1.00 0.00 H new ATOM 982 N ILE A 65 2.251 8.262 18.474 1.00 0.00 N ATOM 983 CA ILE A 65 2.482 8.490 17.053 1.00 0.00 C ATOM 984 C ILE A 65 3.064 7.248 16.384 1.00 0.00 C ATOM 985 O ILE A 65 2.564 6.793 15.357 1.00 0.00 O ATOM 986 CB ILE A 65 3.434 9.678 16.820 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.863 10.948 17.454 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.672 9.883 15.332 1.00 0.00 C ATOM 989 CD1 ILE A 65 1.469 11.288 16.977 1.00 0.00 C ATOM 0 H ILE A 65 2.917 8.728 19.090 1.00 0.00 H new ATOM 0 HA ILE A 65 1.513 8.719 16.609 1.00 0.00 H new ATOM 0 HB ILE A 65 4.391 9.456 17.293 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.848 10.828 18.537 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.527 11.784 17.235 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.347 10.726 15.184 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.117 8.983 14.907 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.723 10.087 14.836 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.129 12.200 17.468 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.481 11.440 15.898 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.791 10.470 17.221 1.00 0.00 H new ATOM 1001 N ASN A 66 4.123 6.705 16.976 1.00 0.00 N ATOM 1002 CA ASN A 66 4.772 5.515 16.439 1.00 0.00 C ATOM 1003 C ASN A 66 3.909 4.277 16.662 1.00 0.00 C ATOM 1004 O ASN A 66 3.782 3.428 15.779 1.00 0.00 O ATOM 1005 CB ASN A 66 6.143 5.319 17.090 1.00 0.00 C ATOM 1006 CG ASN A 66 6.870 6.631 17.313 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.558 6.809 18.318 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.720 7.558 16.374 1.00 0.00 N ATOM 0 H ASN A 66 4.550 7.070 17.827 1.00 0.00 H new ATOM 0 HA ASN A 66 4.903 5.656 15.366 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.019 4.809 18.045 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.752 4.672 16.459 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.185 8.461 16.470 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.140 7.367 15.557 1.00 0.00 H new ATOM 1015 N LYS A 67 3.317 4.181 17.847 1.00 0.00 N ATOM 1016 CA LYS A 67 2.464 3.048 18.187 1.00 0.00 C ATOM 1017 C LYS A 67 1.338 2.891 17.171 1.00 0.00 C ATOM 1018 O LYS A 67 1.013 1.778 16.758 1.00 0.00 O ATOM 1019 CB LYS A 67 1.879 3.227 19.590 1.00 0.00 C ATOM 1020 CG LYS A 67 1.612 1.917 20.310 1.00 0.00 C ATOM 1021 CD LYS A 67 2.902 1.264 20.777 1.00 0.00 C ATOM 1022 CE LYS A 67 2.687 0.446 22.041 1.00 0.00 C ATOM 1023 NZ LYS A 67 2.893 1.260 23.270 1.00 0.00 N ATOM 0 H LYS A 67 3.412 4.874 18.589 1.00 0.00 H new ATOM 0 HA LYS A 67 3.075 2.146 18.167 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.566 3.826 20.187 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.947 3.788 19.517 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.964 2.098 21.167 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.079 1.237 19.645 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.292 0.621 19.988 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.653 2.032 20.963 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.677 0.037 22.041 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.374 -0.401 22.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.673 0.856 23.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.128 2.237 23.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.022 1.256 23.839 1.00 0.00 H new ATOM 1037 N ALA A 68 0.746 4.012 16.772 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.341 3.998 15.801 1.00 0.00 C ATOM 1039 C ALA A 68 0.076 3.285 14.520 1.00 0.00 C ATOM 1040 O ALA A 68 -0.630 2.403 14.030 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.792 5.419 15.494 1.00 0.00 C ATOM 0 H ALA A 68 1.001 4.941 17.106 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.176 3.449 16.235 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.604 5.394 14.767 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.139 5.896 16.410 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.044 5.986 15.084 1.00 0.00 H new ATOM 1047 N LYS A 69 1.227 3.671 13.981 1.00 0.00 N ATOM 1048 CA LYS A 69 1.739 3.068 12.756 1.00 0.00 C ATOM 1049 C LYS A 69 2.127 1.611 12.988 1.00 0.00 C ATOM 1050 O LYS A 69 1.747 0.728 12.219 1.00 0.00 O ATOM 1051 CB LYS A 69 2.948 3.854 12.243 1.00 0.00 C ATOM 1052 CG LYS A 69 2.584 4.975 11.286 1.00 0.00 C ATOM 1053 CD LYS A 69 2.326 6.278 12.025 1.00 0.00 C ATOM 1054 CE LYS A 69 1.724 7.330 11.106 1.00 0.00 C ATOM 1055 NZ LYS A 69 0.932 8.339 11.862 1.00 0.00 N ATOM 0 H LYS A 69 1.824 4.399 14.373 1.00 0.00 H new ATOM 0 HA LYS A 69 0.948 3.100 12.006 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.485 4.274 13.094 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.631 3.168 11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.391 5.117 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.696 4.696 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.652 6.096 12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.261 6.651 12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.521 7.831 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.085 6.845 10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.539 9.038 11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.156 7.864 12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.548 8.820 12.548 1.00 0.00 H new ATOM 1069 N TRP A 70 2.885 1.368 14.051 1.00 0.00 N ATOM 1070 CA TRP A 70 3.323 0.017 14.384 1.00 0.00 C ATOM 1071 C TRP A 70 2.158 -0.965 14.318 1.00 0.00 C ATOM 1072 O TRP A 70 2.310 -2.090 13.842 1.00 0.00 O ATOM 1073 CB TRP A 70 3.948 -0.009 15.780 1.00 0.00 C ATOM 1074 CG TRP A 70 4.811 -1.210 16.022 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.113 -1.374 15.641 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.433 -2.415 16.697 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.566 -2.609 16.039 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.556 -3.266 16.689 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.257 -2.856 17.309 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.533 -4.532 17.269 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.236 -4.113 17.883 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.368 -4.938 17.861 1.00 0.00 C ATOM 0 H TRP A 70 3.209 2.088 14.697 1.00 0.00 H new ATOM 0 HA TRP A 70 4.072 -0.286 13.652 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.545 0.892 15.920 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.154 0.015 16.526 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.699 -0.641 15.106 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.503 -2.977 15.876 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.380 -2.226 17.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.404 -5.171 17.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.332 -4.465 18.357 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.320 -5.914 18.321 1.00 0.00 H new ATOM 1093 N ASP A 71 0.997 -0.532 14.796 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.194 -1.373 14.790 1.00 0.00 C ATOM 1095 C ASP A 71 -0.755 -1.510 13.378 1.00 0.00 C ATOM 1096 O ASP A 71 -1.399 -2.505 13.049 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.259 -0.793 15.721 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.049 -1.200 17.166 1.00 0.00 C ATOM 1099 OD1 ASP A 71 0.103 -1.124 17.642 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -2.036 -1.595 17.821 1.00 0.00 O ATOM 0 H ASP A 71 0.855 0.397 15.193 1.00 0.00 H new ATOM 0 HA ASP A 71 0.089 -2.363 15.147 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.248 0.294 15.648 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.244 -1.125 15.393 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.505 -0.503 12.547 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.984 -0.511 11.170 1.00 0.00 C ATOM 1107 C ALA A 72 -0.120 -1.412 10.294 1.00 0.00 C ATOM 1108 O ALA A 72 -0.633 -2.164 9.465 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.010 0.904 10.612 1.00 0.00 C ATOM 0 H ALA A 72 0.027 0.329 12.804 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.999 -0.909 11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.370 0.883 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.675 1.521 11.216 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.004 1.323 10.636 1.00 0.00 H new ATOM 1115 N TRP A 73 1.192 -1.331 10.483 1.00 0.00 N ATOM 1116 CA TRP A 73 2.127 -2.139 9.708 1.00 0.00 C ATOM 1117 C TRP A 73 2.258 -3.538 10.301 1.00 0.00 C ATOM 1118 O TRP A 73 2.445 -4.514 9.575 1.00 0.00 O ATOM 1119 CB TRP A 73 3.498 -1.462 9.658 1.00 0.00 C ATOM 1120 CG TRP A 73 4.486 -2.186 8.795 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.214 -3.161 7.877 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.905 -1.994 8.770 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.378 -3.586 7.284 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.429 -2.885 7.814 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.783 -1.155 9.462 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.791 -2.960 7.534 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.134 -1.231 9.183 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.628 -2.127 8.226 1.00 0.00 C ATOM 0 H TRP A 73 1.633 -0.714 11.166 1.00 0.00 H new ATOM 0 HA TRP A 73 1.737 -2.229 8.694 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.379 -0.444 9.287 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.896 -1.388 10.670 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.229 -3.541 7.651 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.448 -4.307 6.566 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.412 -0.460 10.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.173 -3.651 6.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.822 -0.588 9.712 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.690 -2.161 8.031 1.00 0.00 H new ATOM 1139 N ASN A 74 2.159 -3.627 11.623 1.00 0.00 N ATOM 1140 CA ASN A 74 2.267 -4.908 12.313 1.00 0.00 C ATOM 1141 C ASN A 74 1.107 -5.826 11.939 1.00 0.00 C ATOM 1142 O ASN A 74 1.313 -6.980 11.563 1.00 0.00 O ATOM 1143 CB ASN A 74 2.295 -4.694 13.827 1.00 0.00 C ATOM 1144 CG ASN A 74 2.275 -6.001 14.596 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.936 -6.968 14.215 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.515 -6.036 15.684 1.00 0.00 N ATOM 0 H ASN A 74 2.004 -2.828 12.238 1.00 0.00 H new ATOM 0 HA ASN A 74 3.198 -5.383 12.003 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.189 -4.131 14.095 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.437 -4.089 14.122 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.462 -6.888 16.242 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.984 -5.211 15.962 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.111 -5.306 12.044 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.303 -6.077 11.715 1.00 0.00 C ATOM 1155 C ALA A 75 -1.057 -6.980 10.511 1.00 0.00 C ATOM 1156 O ALA A 75 -1.327 -8.181 10.556 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.477 -5.147 11.449 1.00 0.00 C ATOM 0 H ALA A 75 -0.298 -4.353 12.355 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.543 -6.711 12.569 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.360 -5.737 11.205 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.675 -4.548 12.338 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.238 -4.489 10.614 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.543 -6.395 9.434 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.262 -7.147 8.216 1.00 0.00 C ATOM 1165 C LEU A 76 0.400 -8.482 8.541 1.00 0.00 C ATOM 1166 O LEU A 76 -0.095 -9.542 8.159 1.00 0.00 O ATOM 1167 CB LEU A 76 0.639 -6.332 7.287 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.043 -5.206 6.509 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.960 -5.776 5.438 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.821 -4.301 7.453 1.00 0.00 C ATOM 0 H LEU A 76 -0.313 -5.403 9.380 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.209 -7.344 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.444 -5.900 7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.101 -7.013 6.572 1.00 0.00 H new ATOM 0 HG LEU A 76 0.727 -4.611 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.436 -4.960 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.377 -6.382 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.725 -6.396 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.300 -3.505 6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.582 -4.884 7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.139 -3.864 8.183 1.00 0.00 H new ATOM 1182 N GLY A 77 1.522 -8.424 9.253 1.00 0.00 N ATOM 1183 CA GLY A 77 2.232 -9.635 9.620 1.00 0.00 C ATOM 1184 C GLY A 77 3.230 -10.065 8.563 1.00 0.00 C ATOM 1185 O GLY A 77 4.049 -9.264 8.111 1.00 0.00 O ATOM 0 H GLY A 77 1.952 -7.559 9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.753 -9.475 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.514 -10.438 9.785 1.00 0.00 H new ATOM 1189 N SER A 78 3.164 -11.332 8.169 1.00 0.00 N ATOM 1190 CA SER A 78 4.073 -11.869 7.163 1.00 0.00 C ATOM 1191 C SER A 78 3.524 -11.639 5.758 1.00 0.00 C ATOM 1192 O SER A 78 3.762 -12.435 4.848 1.00 0.00 O ATOM 1193 CB SER A 78 4.301 -13.363 7.396 1.00 0.00 C ATOM 1194 OG SER A 78 4.827 -13.604 8.689 1.00 0.00 O ATOM 0 H SER A 78 2.490 -12.007 8.531 1.00 0.00 H new ATOM 0 HA SER A 78 5.025 -11.346 7.253 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.360 -13.900 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.987 -13.751 6.643 1.00 0.00 H new ATOM 0 HG SER A 78 4.962 -14.567 8.813 1.00 0.00 H new ATOM 1200 N LEU A 79 2.790 -10.545 5.588 1.00 0.00 N ATOM 1201 CA LEU A 79 2.206 -10.209 4.294 1.00 0.00 C ATOM 1202 C LEU A 79 3.294 -9.925 3.263 1.00 0.00 C ATOM 1203 O LEU A 79 4.138 -9.047 3.441 1.00 0.00 O ATOM 1204 CB LEU A 79 1.285 -8.995 4.428 1.00 0.00 C ATOM 1205 CG LEU A 79 0.209 -8.847 3.352 1.00 0.00 C ATOM 1206 CD1 LEU A 79 0.842 -8.571 1.997 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.660 -10.094 3.292 1.00 0.00 C ATOM 0 H LEU A 79 2.585 -9.876 6.330 1.00 0.00 H new ATOM 0 HA LEU A 79 1.622 -11.064 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.794 -9.042 5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.900 -8.095 4.425 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.424 -7.999 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.060 -8.469 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.421 -7.649 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.499 -9.398 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.420 -9.971 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.040 -10.959 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.143 -10.247 4.257 1.00 0.00 H new ATOM 1219 N PRO A 80 3.275 -10.684 2.158 1.00 0.00 N ATOM 1220 CA PRO A 80 4.251 -10.531 1.075 1.00 0.00 C ATOM 1221 C PRO A 80 4.062 -9.230 0.303 1.00 0.00 C ATOM 1222 O PRO A 80 2.946 -8.721 0.187 1.00 0.00 O ATOM 1223 CB PRO A 80 3.970 -11.735 0.172 1.00 0.00 C ATOM 1224 CG PRO A 80 2.545 -12.081 0.433 1.00 0.00 C ATOM 1225 CD PRO A 80 2.297 -11.750 1.879 1.00 0.00 C ATOM 0 HA PRO A 80 5.274 -10.492 1.450 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.132 -11.489 -0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.630 -12.570 0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.880 -11.513 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.357 -13.137 0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.274 -11.410 2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.453 -12.616 2.522 1.00 0.00 H new ATOM 1233 N LYS A 81 5.158 -8.695 -0.224 1.00 0.00 N ATOM 1234 CA LYS A 81 5.113 -7.454 -0.987 1.00 0.00 C ATOM 1235 C LYS A 81 4.114 -7.556 -2.134 1.00 0.00 C ATOM 1236 O LYS A 81 3.353 -6.623 -2.391 1.00 0.00 O ATOM 1237 CB LYS A 81 6.502 -7.117 -1.535 1.00 0.00 C ATOM 1238 CG LYS A 81 7.509 -6.755 -0.457 1.00 0.00 C ATOM 1239 CD LYS A 81 8.937 -6.926 -0.949 1.00 0.00 C ATOM 1240 CE LYS A 81 9.939 -6.771 0.185 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.265 -7.353 -0.163 1.00 0.00 N ATOM 0 H LYS A 81 6.089 -9.102 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 81 4.790 -6.657 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.878 -7.970 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.416 -6.285 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.352 -5.723 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.347 -7.383 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.051 -7.910 -1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.147 -6.189 -1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.058 -5.714 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.552 -7.258 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.920 -7.227 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.157 -8.367 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.646 -6.871 -1.002 1.00 0.00 H new ATOM 1255 N GLU A 82 4.120 -8.695 -2.819 1.00 0.00 N ATOM 1256 CA GLU A 82 3.213 -8.918 -3.939 1.00 0.00 C ATOM 1257 C GLU A 82 1.785 -8.528 -3.568 1.00 0.00 C ATOM 1258 O GLU A 82 1.114 -7.809 -4.308 1.00 0.00 O ATOM 1259 CB GLU A 82 3.256 -10.384 -4.375 1.00 0.00 C ATOM 1260 CG GLU A 82 4.616 -10.827 -4.888 1.00 0.00 C ATOM 1261 CD GLU A 82 4.554 -12.135 -5.651 1.00 0.00 C ATOM 1262 OE1 GLU A 82 3.977 -12.149 -6.759 1.00 0.00 O ATOM 1263 OE2 GLU A 82 5.082 -13.146 -5.141 1.00 0.00 O ATOM 0 H GLU A 82 4.743 -9.478 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 82 3.539 -8.290 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.973 -11.014 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.513 -10.544 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.026 -10.052 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.300 -10.934 -4.046 1.00 0.00 H new ATOM 1270 N ALA A 83 1.327 -9.008 -2.416 1.00 0.00 N ATOM 1271 CA ALA A 83 -0.020 -8.710 -1.946 1.00 0.00 C ATOM 1272 C ALA A 83 -0.098 -7.304 -1.360 1.00 0.00 C ATOM 1273 O ALA A 83 -1.056 -6.572 -1.605 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.458 -9.738 -0.914 1.00 0.00 C ATOM 0 H ALA A 83 1.869 -9.605 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.695 -8.758 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.466 -9.503 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.450 -10.731 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.227 -9.717 -0.066 1.00 0.00 H new ATOM 1280 N ALA A 84 0.917 -6.933 -0.586 1.00 0.00 N ATOM 1281 CA ALA A 84 0.963 -5.614 0.033 1.00 0.00 C ATOM 1282 C ALA A 84 0.722 -4.516 -0.997 1.00 0.00 C ATOM 1283 O ALA A 84 0.001 -3.553 -0.733 1.00 0.00 O ATOM 1284 CB ALA A 84 2.301 -5.404 0.728 1.00 0.00 C ATOM 0 H ALA A 84 1.718 -7.527 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 84 0.167 -5.560 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.322 -4.415 1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.434 -6.164 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.107 -5.483 -0.002 1.00 0.00 H new ATOM 1290 N ARG A 85 1.329 -4.667 -2.169 1.00 0.00 N ATOM 1291 CA ARG A 85 1.181 -3.686 -3.238 1.00 0.00 C ATOM 1292 C ARG A 85 -0.270 -3.604 -3.703 1.00 0.00 C ATOM 1293 O ARG A 85 -0.797 -2.516 -3.935 1.00 0.00 O ATOM 1294 CB ARG A 85 2.086 -4.044 -4.417 1.00 0.00 C ATOM 1295 CG ARG A 85 3.566 -3.841 -4.133 1.00 0.00 C ATOM 1296 CD ARG A 85 4.379 -3.801 -5.417 1.00 0.00 C ATOM 1297 NE ARG A 85 4.845 -5.128 -5.811 1.00 0.00 N ATOM 1298 CZ ARG A 85 5.244 -5.432 -7.042 1.00 0.00 C ATOM 1299 NH1 ARG A 85 5.233 -4.507 -7.992 1.00 0.00 N ATOM 1300 NH2 ARG A 85 5.654 -6.662 -7.323 1.00 0.00 N ATOM 0 H ARG A 85 1.928 -5.459 -2.403 1.00 0.00 H new ATOM 0 HA ARG A 85 1.475 -2.712 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.917 -5.085 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.804 -3.438 -5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.708 -2.911 -3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.929 -4.647 -3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.772 -3.377 -6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.236 -3.141 -5.283 1.00 0.00 H new ATOM 0 HE ARG A 85 4.865 -5.862 -5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.918 -3.561 -7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.540 -4.742 -8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.663 -7.375 -6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.960 -6.894 -8.268 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.909 -4.762 -3.839 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.298 -4.820 -4.278 1.00 0.00 C ATOM 1316 C GLN A 86 -3.220 -4.160 -3.258 1.00 0.00 C ATOM 1317 O GLN A 86 -4.144 -3.434 -3.620 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.723 -6.272 -4.503 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.788 -6.435 -5.575 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.945 -5.471 -5.400 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.718 -5.577 -4.448 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.070 -4.522 -6.321 1.00 0.00 N ATOM 0 H GLN A 86 -0.487 -5.672 -3.652 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.378 -4.275 -5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.848 -6.859 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.098 -6.682 -3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.337 -6.282 -6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.166 -7.457 -5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.406 -4.471 -7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.830 -3.844 -6.255 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.962 -4.419 -1.980 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.769 -3.850 -0.907 1.00 0.00 C ATOM 1333 C ASN A 87 -3.746 -2.326 -0.957 1.00 0.00 C ATOM 1334 O ASN A 87 -4.792 -1.677 -0.928 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.261 -4.334 0.453 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.901 -5.642 0.877 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -5.109 -5.710 1.106 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -3.092 -6.689 0.984 1.00 0.00 N ATOM 0 H ASN A 87 -2.201 -5.019 -1.663 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.797 -4.184 -1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.179 -4.459 0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.464 -3.572 1.206 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.465 -7.595 1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.097 -6.587 0.784 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.546 -1.760 -1.034 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.386 -0.312 -1.087 1.00 0.00 C ATOM 1347 C TYR A 88 -3.242 0.291 -2.197 1.00 0.00 C ATOM 1348 O TYR A 88 -4.126 1.108 -1.940 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.916 0.052 -1.307 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.629 1.529 -1.158 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.124 2.449 -2.073 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.136 2.004 -0.100 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.864 3.799 -1.941 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.401 3.353 0.041 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.101 4.246 -0.882 1.00 0.00 C ATOM 1356 OH TYR A 88 0.160 5.590 -0.746 1.00 0.00 O ATOM 0 H TYR A 88 -1.670 -2.282 -1.061 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.717 0.099 -0.133 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.303 -0.502 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.616 -0.269 -2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.723 2.103 -2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.530 1.307 0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.256 4.501 -2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.998 3.706 0.869 1.00 0.00 H new ATOM 0 HH TYR A 88 0.709 5.737 0.052 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.974 -0.120 -3.432 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.719 0.376 -4.582 1.00 0.00 C ATOM 1368 C VAL A 89 -5.213 0.112 -4.424 1.00 0.00 C ATOM 1369 O VAL A 89 -6.034 1.013 -4.595 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.230 -0.272 -5.891 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.811 0.173 -6.209 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.315 -1.788 -5.798 1.00 0.00 C ATOM 0 H VAL A 89 -2.246 -0.796 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.546 1.451 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.878 0.056 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.482 -0.295 -7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.786 1.257 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.146 -0.124 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.966 -2.230 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.691 -2.138 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.349 -2.084 -5.621 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.557 -1.128 -4.098 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.952 -1.512 -3.915 1.00 0.00 C ATOM 1384 C ASP A 90 -7.708 -0.449 -3.123 1.00 0.00 C ATOM 1385 O ASP A 90 -8.896 -0.218 -3.352 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.043 -2.860 -3.199 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.431 -3.465 -3.278 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.363 -2.891 -2.677 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.585 -4.513 -3.940 1.00 0.00 O ATOM 0 H ASP A 90 -4.889 -1.885 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.411 -1.601 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.323 -3.551 -3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.765 -2.732 -2.153 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.013 0.193 -2.191 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.619 1.231 -1.364 1.00 0.00 C ATOM 1396 C LEU A 91 -7.798 2.522 -2.155 1.00 0.00 C ATOM 1397 O LEU A 91 -8.921 2.973 -2.383 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.758 1.492 -0.127 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.307 2.514 0.869 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.279 3.911 0.270 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.721 2.141 1.292 1.00 0.00 C ATOM 0 H LEU A 91 -6.030 0.013 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.602 0.882 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.613 0.547 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.775 1.828 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.671 2.508 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.673 4.625 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.253 4.179 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.891 3.933 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.095 2.879 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.369 2.118 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.713 1.158 1.763 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.683 3.113 -2.574 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.716 4.351 -3.343 1.00 0.00 C ATOM 1415 C VAL A 92 -7.807 4.308 -4.407 1.00 0.00 C ATOM 1416 O VAL A 92 -8.413 5.329 -4.732 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.362 4.626 -4.023 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.401 5.946 -4.777 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.240 4.622 -2.995 1.00 0.00 C ATOM 0 H VAL A 92 -5.746 2.754 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.930 5.155 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.168 3.831 -4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.435 6.123 -5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.178 5.906 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.618 6.756 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.290 4.818 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.426 5.396 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.199 3.649 -2.505 1.00 0.00 H new ATOM 1429 N SER A 93 -8.052 3.118 -4.948 1.00 0.00 N ATOM 1430 CA SER A 93 -9.068 2.942 -5.979 1.00 0.00 C ATOM 1431 C SER A 93 -10.468 3.115 -5.397 1.00 0.00 C ATOM 1432 O SER A 93 -11.358 3.664 -6.046 1.00 0.00 O ATOM 1433 CB SER A 93 -8.938 1.560 -6.622 1.00 0.00 C ATOM 1434 OG SER A 93 -9.820 1.424 -7.722 1.00 0.00 O ATOM 0 H SER A 93 -7.561 2.262 -4.689 1.00 0.00 H new ATOM 0 HA SER A 93 -8.913 3.706 -6.741 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.911 1.405 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.153 0.789 -5.882 1.00 0.00 H new ATOM 0 HG SER A 93 -9.716 0.533 -8.116 1.00 0.00 H new ATOM 1440 N SER A 94 -10.654 2.641 -4.169 1.00 0.00 N ATOM 1441 CA SER A 94 -11.946 2.739 -3.500 1.00 0.00 C ATOM 1442 C SER A 94 -12.355 4.197 -3.318 1.00 0.00 C ATOM 1443 O SER A 94 -13.511 4.562 -3.533 1.00 0.00 O ATOM 1444 CB SER A 94 -11.895 2.038 -2.141 1.00 0.00 C ATOM 1445 OG SER A 94 -12.254 0.673 -2.257 1.00 0.00 O ATOM 0 H SER A 94 -9.927 2.186 -3.618 1.00 0.00 H new ATOM 0 HA SER A 94 -12.690 2.247 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.891 2.119 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.570 2.537 -1.446 1.00 0.00 H new ATOM 0 HG SER A 94 -12.212 0.248 -1.375 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.397 5.028 -2.921 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.655 6.448 -2.709 1.00 0.00 C ATOM 1453 C LEU A 95 -12.005 7.140 -4.023 1.00 0.00 C ATOM 1454 O LEU A 95 -13.039 7.797 -4.134 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.436 7.119 -2.075 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.019 6.594 -0.701 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.609 7.049 -0.360 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -11.002 7.054 0.366 1.00 0.00 C ATOM 0 H LEU A 95 -10.435 4.743 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.505 6.541 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.591 7.009 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.638 8.186 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.029 5.504 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.330 6.665 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.913 6.670 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.571 8.138 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.690 6.671 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.024 8.143 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.997 6.677 0.130 1.00 0.00 H new ATOM 1470 N SER A 96 -11.136 6.985 -5.017 1.00 0.00 N ATOM 1471 CA SER A 96 -11.351 7.596 -6.323 1.00 0.00 C ATOM 1472 C SER A 96 -12.615 7.045 -6.978 1.00 0.00 C ATOM 1473 O SER A 96 -12.768 5.840 -7.175 1.00 0.00 O ATOM 1474 CB SER A 96 -10.144 7.350 -7.231 1.00 0.00 C ATOM 1475 OG SER A 96 -9.131 8.314 -7.003 1.00 0.00 O ATOM 0 H SER A 96 -10.276 6.441 -4.942 1.00 0.00 H new ATOM 0 HA SER A 96 -11.474 8.669 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.747 6.351 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.456 7.386 -8.275 1.00 0.00 H new ATOM 0 HG SER A 96 -9.173 9.003 -7.698 1.00 0.00 H new ATOM 1481 N PRO A 97 -13.542 7.950 -7.325 1.00 0.00 N ATOM 1482 CA PRO A 97 -14.809 7.580 -7.964 1.00 0.00 C ATOM 1483 C PRO A 97 -14.615 7.086 -9.393 1.00 0.00 C ATOM 1484 O PRO A 97 -15.161 6.054 -9.784 1.00 0.00 O ATOM 1485 CB PRO A 97 -15.607 8.886 -7.953 1.00 0.00 C ATOM 1486 CG PRO A 97 -14.574 9.960 -7.917 1.00 0.00 C ATOM 1487 CD PRO A 97 -13.426 9.403 -7.121 1.00 0.00 C ATOM 0 HA PRO A 97 -15.303 6.759 -7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.237 8.972 -8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -16.265 8.941 -7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.256 10.230 -8.924 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -14.968 10.865 -7.454 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.468 9.783 -7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -13.502 9.668 -6.066 1.00 0.00 H new ATOM 1495 N SER A 98 -13.832 7.828 -10.170 1.00 0.00 N ATOM 1496 CA SER A 98 -13.569 7.467 -11.558 1.00 0.00 C ATOM 1497 C SER A 98 -12.088 7.168 -11.770 1.00 0.00 C ATOM 1498 O SER A 98 -11.224 7.983 -11.442 1.00 0.00 O ATOM 1499 CB SER A 98 -14.012 8.594 -12.493 1.00 0.00 C ATOM 1500 OG SER A 98 -14.336 8.092 -13.778 1.00 0.00 O ATOM 0 H SER A 98 -13.369 8.683 -9.862 1.00 0.00 H new ATOM 0 HA SER A 98 -14.140 6.568 -11.788 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.877 9.103 -12.069 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.216 9.334 -12.578 1.00 0.00 H new ATOM 0 HG SER A 98 -14.618 8.831 -14.356 1.00 0.00 H new ATOM 1506 N LEU A 99 -11.801 5.993 -12.320 1.00 0.00 N ATOM 1507 CA LEU A 99 -10.424 5.584 -12.576 1.00 0.00 C ATOM 1508 C LEU A 99 -10.328 4.772 -13.864 1.00 0.00 C ATOM 1509 O LEU A 99 -10.933 3.708 -13.984 1.00 0.00 O ATOM 1510 CB LEU A 99 -9.888 4.764 -11.402 1.00 0.00 C ATOM 1511 CG LEU A 99 -8.381 4.847 -11.158 1.00 0.00 C ATOM 1512 CD1 LEU A 99 -8.031 4.294 -9.785 1.00 0.00 C ATOM 1513 CD2 LEU A 99 -7.622 4.100 -12.245 1.00 0.00 C ATOM 0 H LEU A 99 -12.503 5.307 -12.597 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.819 6.484 -12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.401 5.086 -10.496 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -10.153 3.719 -11.564 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.085 5.895 -11.191 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.954 4.361 -9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.546 4.873 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.342 3.251 -9.723 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.551 4.170 -12.055 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.923 3.052 -12.245 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.848 4.542 -13.216 1.00 0.00 H new ATOM 1525 N GLU A 100 -9.563 5.283 -14.824 1.00 0.00 N ATOM 1526 CA GLU A 100 -9.387 4.603 -16.102 1.00 0.00 C ATOM 1527 C GLU A 100 -8.297 3.540 -16.007 1.00 0.00 C ATOM 1528 O GLU A 100 -7.389 3.637 -15.182 1.00 0.00 O ATOM 1529 CB GLU A 100 -9.036 5.613 -17.197 1.00 0.00 C ATOM 1530 CG GLU A 100 -10.219 6.449 -17.655 1.00 0.00 C ATOM 1531 CD GLU A 100 -9.810 7.580 -18.579 1.00 0.00 C ATOM 1532 OE1 GLU A 100 -8.845 8.299 -18.248 1.00 0.00 O ATOM 1533 OE2 GLU A 100 -10.457 7.746 -19.635 1.00 0.00 O ATOM 0 H GLU A 100 -9.056 6.164 -14.741 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.327 4.113 -16.357 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.253 6.277 -16.830 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.625 5.079 -18.054 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.936 5.807 -18.167 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.727 6.862 -16.783 1.00 0.00 H new ATOM 1540 N SER A 101 -8.394 2.523 -16.859 1.00 0.00 N ATOM 1541 CA SER A 101 -7.420 1.439 -16.869 1.00 0.00 C ATOM 1542 C SER A 101 -7.495 0.629 -15.578 1.00 0.00 C ATOM 1543 O SER A 101 -6.471 0.272 -14.996 1.00 0.00 O ATOM 1544 CB SER A 101 -6.007 1.996 -17.054 1.00 0.00 C ATOM 1545 OG SER A 101 -5.077 0.955 -17.299 1.00 0.00 O ATOM 0 H SER A 101 -9.138 2.428 -17.551 1.00 0.00 H new ATOM 0 HA SER A 101 -7.655 0.780 -17.705 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.996 2.701 -17.886 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.711 2.550 -16.163 1.00 0.00 H new ATOM 0 HG SER A 101 -5.172 0.263 -16.612 1.00 0.00 H new ATOM 1551 N SER A 102 -8.716 0.342 -15.137 1.00 0.00 N ATOM 1552 CA SER A 102 -8.926 -0.422 -13.913 1.00 0.00 C ATOM 1553 C SER A 102 -10.317 -1.048 -13.896 1.00 0.00 C ATOM 1554 O SER A 102 -11.162 -0.733 -14.734 1.00 0.00 O ATOM 1555 CB SER A 102 -8.743 0.476 -12.688 1.00 0.00 C ATOM 1556 OG SER A 102 -9.750 1.471 -12.631 1.00 0.00 O ATOM 0 H SER A 102 -9.574 0.627 -15.609 1.00 0.00 H new ATOM 0 HA SER A 102 -8.186 -1.222 -13.881 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.773 -0.129 -11.782 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.762 0.949 -12.723 1.00 0.00 H new ATOM 0 HG SER A 102 -9.703 2.030 -13.435 1.00 0.00 H new ATOM 1562 N SER A 103 -10.547 -1.938 -12.936 1.00 0.00 N ATOM 1563 CA SER A 103 -11.834 -2.612 -12.810 1.00 0.00 C ATOM 1564 C SER A 103 -12.974 -1.599 -12.741 1.00 0.00 C ATOM 1565 O SER A 103 -12.900 -0.617 -12.003 1.00 0.00 O ATOM 1566 CB SER A 103 -11.850 -3.500 -11.565 1.00 0.00 C ATOM 1567 OG SER A 103 -10.916 -4.559 -11.682 1.00 0.00 O ATOM 0 H SER A 103 -9.859 -2.209 -12.234 1.00 0.00 H new ATOM 0 HA SER A 103 -11.977 -3.235 -13.693 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.617 -2.901 -10.684 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.850 -3.908 -11.418 1.00 0.00 H new ATOM 0 HG SER A 103 -11.374 -5.415 -11.550 1.00 0.00 H new ATOM 1573 N GLN A 104 -14.025 -1.847 -13.514 1.00 0.00 N ATOM 1574 CA GLN A 104 -15.180 -0.957 -13.541 1.00 0.00 C ATOM 1575 C GLN A 104 -16.105 -1.230 -12.360 1.00 0.00 C ATOM 1576 O GLN A 104 -16.865 -2.198 -12.363 1.00 0.00 O ATOM 1577 CB GLN A 104 -15.948 -1.123 -14.854 1.00 0.00 C ATOM 1578 CG GLN A 104 -16.774 0.095 -15.234 1.00 0.00 C ATOM 1579 CD GLN A 104 -15.966 1.139 -15.980 1.00 0.00 C ATOM 1580 OE1 GLN A 104 -14.755 1.253 -15.793 1.00 0.00 O ATOM 1581 NE2 GLN A 104 -16.635 1.907 -16.832 1.00 0.00 N ATOM 0 H GLN A 104 -14.101 -2.656 -14.130 1.00 0.00 H new ATOM 0 HA GLN A 104 -14.818 0.069 -13.467 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -15.240 -1.336 -15.655 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -16.607 -1.988 -14.773 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -17.614 -0.219 -15.853 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -17.192 0.541 -14.332 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -17.639 1.777 -16.955 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -16.145 2.627 -17.363 1.00 0.00 H new ATOM 1590 N VAL A 105 -16.036 -0.369 -11.349 1.00 0.00 N ATOM 1591 CA VAL A 105 -16.867 -0.516 -10.161 1.00 0.00 C ATOM 1592 C VAL A 105 -18.061 0.432 -10.204 1.00 0.00 C ATOM 1593 O VAL A 105 -17.920 1.606 -10.544 1.00 0.00 O ATOM 1594 CB VAL A 105 -16.062 -0.251 -8.875 1.00 0.00 C ATOM 1595 CG1 VAL A 105 -15.375 1.104 -8.945 1.00 0.00 C ATOM 1596 CG2 VAL A 105 -16.964 -0.339 -7.654 1.00 0.00 C ATOM 0 H VAL A 105 -15.412 0.438 -11.330 1.00 0.00 H new ATOM 0 HA VAL A 105 -17.224 -1.546 -10.151 1.00 0.00 H new ATOM 0 HB VAL A 105 -15.292 -1.017 -8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -14.811 1.274 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -14.696 1.124 -9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -16.125 1.887 -9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -16.378 -0.149 -6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -17.758 0.404 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -17.403 -1.335 -7.597 1.00 0.00 H new ATOM 1606 N GLU A 106 -19.234 -0.087 -9.857 1.00 0.00 N ATOM 1607 CA GLU A 106 -20.453 0.714 -9.857 1.00 0.00 C ATOM 1608 C GLU A 106 -20.495 1.641 -8.645 1.00 0.00 C ATOM 1609 O GLU A 106 -20.240 1.233 -7.511 1.00 0.00 O ATOM 1610 CB GLU A 106 -21.686 -0.192 -9.863 1.00 0.00 C ATOM 1611 CG GLU A 106 -22.991 0.559 -10.064 1.00 0.00 C ATOM 1612 CD GLU A 106 -24.206 -0.285 -9.729 1.00 0.00 C ATOM 1613 OE1 GLU A 106 -24.185 -0.964 -8.681 1.00 0.00 O ATOM 1614 OE2 GLU A 106 -25.178 -0.265 -10.513 1.00 0.00 O ATOM 0 H GLU A 106 -19.366 -1.058 -9.572 1.00 0.00 H new ATOM 0 HA GLU A 106 -20.456 1.324 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.578 -0.934 -10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.731 -0.736 -8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -22.991 1.453 -9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -23.059 0.892 -11.100 1.00 0.00 H new ATOM 1621 N PRO A 107 -20.823 2.918 -8.888 1.00 0.00 N ATOM 1622 CA PRO A 107 -20.906 3.929 -7.830 1.00 0.00 C ATOM 1623 C PRO A 107 -22.092 3.699 -6.900 1.00 0.00 C ATOM 1624 O PRO A 107 -23.136 3.202 -7.321 1.00 0.00 O ATOM 1625 CB PRO A 107 -21.080 5.239 -8.604 1.00 0.00 C ATOM 1626 CG PRO A 107 -21.695 4.835 -9.899 1.00 0.00 C ATOM 1627 CD PRO A 107 -21.139 3.474 -10.215 1.00 0.00 C ATOM 0 HA PRO A 107 -20.030 3.914 -7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -21.719 5.937 -8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -20.123 5.738 -8.759 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -22.782 4.804 -9.822 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -21.451 5.548 -10.686 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -21.864 2.857 -10.747 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -20.252 3.539 -10.845 1.00 0.00 H new ATOM 1635 N GLY A 108 -21.925 4.064 -5.632 1.00 0.00 N ATOM 1636 CA GLY A 108 -22.990 3.889 -4.663 1.00 0.00 C ATOM 1637 C GLY A 108 -22.802 4.753 -3.432 1.00 0.00 C ATOM 1638 O GLY A 108 -22.898 4.270 -2.303 1.00 0.00 O ATOM 0 H GLY A 108 -21.071 4.478 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -23.945 4.130 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -23.037 2.842 -4.364 1.00 0.00 H new ATOM 1642 N THR A 109 -22.531 6.037 -3.648 1.00 0.00 N ATOM 1643 CA THR A 109 -22.325 6.970 -2.548 1.00 0.00 C ATOM 1644 C THR A 109 -22.826 8.364 -2.908 1.00 0.00 C ATOM 1645 O THR A 109 -22.583 8.856 -4.010 1.00 0.00 O ATOM 1646 CB THR A 109 -20.838 7.057 -2.155 1.00 0.00 C ATOM 1647 OG1 THR A 109 -20.313 5.744 -1.931 1.00 0.00 O ATOM 1648 CG2 THR A 109 -20.658 7.902 -0.903 1.00 0.00 C ATOM 0 H THR A 109 -22.449 6.454 -4.575 1.00 0.00 H new ATOM 0 HA THR A 109 -22.895 6.589 -1.701 1.00 0.00 H new ATOM 0 HB THR A 109 -20.295 7.529 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 109 -19.367 5.808 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.600 7.949 -0.645 1.00 0.00 H new ATOM 0 HG22 THR A 109 -21.032 8.909 -1.087 1.00 0.00 H new ATOM 0 HG23 THR A 109 -21.213 7.454 -0.079 1.00 0.00 H new ATOM 1656 N ASP A 110 -23.527 8.996 -1.973 1.00 0.00 N ATOM 1657 CA ASP A 110 -24.061 10.335 -2.191 1.00 0.00 C ATOM 1658 C ASP A 110 -22.970 11.389 -2.030 1.00 0.00 C ATOM 1659 O ASP A 110 -22.743 11.900 -0.933 1.00 0.00 O ATOM 1660 CB ASP A 110 -25.206 10.616 -1.217 1.00 0.00 C ATOM 1661 CG ASP A 110 -25.461 12.099 -1.035 1.00 0.00 C ATOM 1662 OD1 ASP A 110 -26.103 12.704 -1.920 1.00 0.00 O ATOM 1663 OD2 ASP A 110 -25.020 12.655 -0.008 1.00 0.00 O ATOM 0 H ASP A 110 -23.739 8.602 -1.056 1.00 0.00 H new ATOM 0 HA ASP A 110 -24.442 10.385 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -26.115 10.136 -1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -24.975 10.169 -0.250 1.00 0.00 H new ATOM 1668 N SER A 111 -22.295 11.708 -3.130 1.00 0.00 N ATOM 1669 CA SER A 111 -21.224 12.697 -3.110 1.00 0.00 C ATOM 1670 C SER A 111 -21.100 13.391 -4.463 1.00 0.00 C ATOM 1671 O SER A 111 -21.325 12.782 -5.509 1.00 0.00 O ATOM 1672 CB SER A 111 -19.896 12.034 -2.740 1.00 0.00 C ATOM 1673 OG SER A 111 -18.925 13.002 -2.382 1.00 0.00 O ATOM 0 H SER A 111 -22.471 11.296 -4.046 1.00 0.00 H new ATOM 0 HA SER A 111 -21.469 13.447 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 111 -20.049 11.344 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 111 -19.533 11.445 -3.582 1.00 0.00 H new ATOM 0 HG SER A 111 -18.086 12.553 -2.148 1.00 0.00 H new ATOM 1679 N GLY A 112 -20.739 14.670 -4.435 1.00 0.00 N ATOM 1680 CA GLY A 112 -20.591 15.427 -5.664 1.00 0.00 C ATOM 1681 C GLY A 112 -20.257 16.884 -5.412 1.00 0.00 C ATOM 1682 O GLY A 112 -19.852 17.269 -4.315 1.00 0.00 O ATOM 0 H GLY A 112 -20.546 15.196 -3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -19.806 14.977 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -21.515 15.364 -6.239 1.00 0.00 H new ATOM 1686 N PRO A 113 -20.426 17.721 -6.446 1.00 0.00 N ATOM 1687 CA PRO A 113 -20.145 19.157 -6.356 1.00 0.00 C ATOM 1688 C PRO A 113 -21.148 19.890 -5.471 1.00 0.00 C ATOM 1689 O PRO A 113 -22.333 19.558 -5.454 1.00 0.00 O ATOM 1690 CB PRO A 113 -20.262 19.633 -7.806 1.00 0.00 C ATOM 1691 CG PRO A 113 -21.173 18.649 -8.455 1.00 0.00 C ATOM 1692 CD PRO A 113 -20.905 17.331 -7.782 1.00 0.00 C ATOM 0 HA PRO A 113 -19.172 19.355 -5.906 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -20.668 20.643 -7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -19.288 19.654 -8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -22.215 18.944 -8.335 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -20.981 18.587 -9.526 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -21.805 16.719 -7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -20.159 16.748 -8.322 1.00 0.00 H new ATOM 1700 N SER A 114 -20.665 20.889 -4.739 1.00 0.00 N ATOM 1701 CA SER A 114 -21.519 21.667 -3.850 1.00 0.00 C ATOM 1702 C SER A 114 -21.633 23.110 -4.331 1.00 0.00 C ATOM 1703 O SER A 114 -21.583 24.047 -3.535 1.00 0.00 O ATOM 1704 CB SER A 114 -20.969 21.635 -2.423 1.00 0.00 C ATOM 1705 OG SER A 114 -19.764 22.375 -2.325 1.00 0.00 O ATOM 0 H SER A 114 -19.687 21.178 -4.744 1.00 0.00 H new ATOM 0 HA SER A 114 -22.513 21.220 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 114 -21.709 22.045 -1.735 1.00 0.00 H new ATOM 0 HB3 SER A 114 -20.791 20.603 -2.121 1.00 0.00 H new ATOM 0 HG SER A 114 -19.433 22.341 -1.403 1.00 0.00 H new ATOM 1711 N SER A 115 -21.787 23.280 -5.641 1.00 0.00 N ATOM 1712 CA SER A 115 -21.904 24.608 -6.230 1.00 0.00 C ATOM 1713 C SER A 115 -23.087 25.365 -5.634 1.00 0.00 C ATOM 1714 O SER A 115 -24.205 24.853 -5.585 1.00 0.00 O ATOM 1715 CB SER A 115 -22.064 24.503 -7.748 1.00 0.00 C ATOM 1716 OG SER A 115 -21.827 25.752 -8.374 1.00 0.00 O ATOM 0 H SER A 115 -21.834 22.515 -6.314 1.00 0.00 H new ATOM 0 HA SER A 115 -20.991 25.160 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 115 -21.370 23.759 -8.139 1.00 0.00 H new ATOM 0 HB3 SER A 115 -23.070 24.158 -7.988 1.00 0.00 H new ATOM 0 HG SER A 115 -21.934 25.657 -9.344 1.00 0.00 H new ATOM 1722 N GLY A 116 -22.832 26.589 -5.181 1.00 0.00 N ATOM 1723 CA GLY A 116 -23.885 27.397 -4.594 1.00 0.00 C ATOM 1724 C GLY A 116 -23.957 27.248 -3.087 1.00 0.00 C ATOM 1725 O GLY A 116 -22.989 27.531 -2.381 1.00 0.00 O ATOM 0 H GLY A 116 -21.915 27.035 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -23.718 28.444 -4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -24.843 27.113 -5.030 1.00 0.00 H new TER 1729 GLY A 116