USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 881 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 106 TYR OH : rot 173:sc= 1.02 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= -0.504 USER MOD Set 1.3: A 110 SER OG : rot 12:sc= 0.205 USER MOD Set 2.1: A 68 CYS SG : rot -65:sc= -1.62 USER MOD Set 2.2: A 77 LYS NZ :NH3+ -177:sc= -0.562 (180deg=-0.586) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= -0.0796 (180deg=-0.615) USER MOD Single : A 17 SER OG : rot 11:sc= 0.763 USER MOD Single : A 18 THR OG1 : rot 144:sc= -0.231! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.17 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0321 USER MOD Single : A 36 SER OG : rot -22:sc= -0.189 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 29:sc= -1.61 USER MOD Single : A 40 SER OG : rot 180:sc= -0.471 USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0784 (180deg=-0.594) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -11:sc= -1.28 USER MOD Single : A 66 SER OG : rot 180:sc= -0.555 USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0242) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 76 THR OG1 : rot -99:sc= 0.14 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 155:sc= -0.106 (180deg=-0.206) USER MOD Single : A 107 CYS SG : rot 180:sc= -0.735 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.715 -9.384 16.457 1.00 0.00 N ATOM 2 CA GLY A 1 -0.675 -9.225 14.976 1.00 0.00 C ATOM 3 C GLY A 1 -2.076 -8.921 14.460 1.00 0.00 C ATOM 4 O GLY A 1 -2.294 -7.924 13.768 1.00 0.00 O ATOM 0 H1 GLY A 1 0.241 -9.592 16.810 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.061 -8.505 16.891 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.353 -10.167 16.705 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.007 -8.419 14.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.294 -10.135 14.512 1.00 0.00 H new ATOM 7 N LYS A 2 -3.026 -9.788 14.799 1.00 0.00 N ATOM 8 CA LYS A 2 -4.410 -9.607 14.367 1.00 0.00 C ATOM 9 C LYS A 2 -5.141 -8.638 15.296 1.00 0.00 C ATOM 10 O LYS A 2 -4.722 -8.420 16.433 1.00 0.00 O ATOM 11 CB LYS A 2 -5.133 -10.954 14.348 1.00 0.00 C ATOM 12 CG LYS A 2 -6.287 -10.894 13.343 1.00 0.00 C ATOM 13 CD LYS A 2 -7.176 -12.118 13.510 1.00 0.00 C ATOM 14 CE LYS A 2 -6.407 -13.381 13.116 1.00 0.00 C ATOM 15 NZ LYS A 2 -7.367 -14.496 12.884 1.00 0.00 N ATOM 0 H LYS A 2 -2.865 -10.619 15.368 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.406 -9.188 13.361 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.439 -11.749 14.075 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.513 -11.190 15.342 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.869 -9.986 13.497 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.895 -10.853 12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.513 -12.195 14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.068 -12.017 12.891 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.822 -13.197 12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.703 -13.651 13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.844 -15.354 12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.906 -14.677 13.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.022 -14.237 12.119 1.00 0.00 H new ATOM 29 N LYS A 3 -6.234 -8.065 14.804 1.00 0.00 N ATOM 30 CA LYS A 3 -7.013 -7.123 15.601 1.00 0.00 C ATOM 31 C LYS A 3 -7.179 -7.635 17.029 1.00 0.00 C ATOM 32 O LYS A 3 -7.008 -6.885 17.990 1.00 0.00 O ATOM 33 CB LYS A 3 -8.393 -6.926 14.972 1.00 0.00 C ATOM 34 CG LYS A 3 -8.248 -6.185 13.643 1.00 0.00 C ATOM 35 CD LYS A 3 -9.629 -5.989 13.014 1.00 0.00 C ATOM 36 CE LYS A 3 -9.484 -5.231 11.693 1.00 0.00 C ATOM 37 NZ LYS A 3 -10.830 -5.040 11.081 1.00 0.00 N ATOM 0 H LYS A 3 -6.598 -8.234 13.866 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.481 -6.172 15.625 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.872 -7.892 14.811 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.035 -6.360 15.648 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.769 -5.219 13.804 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.606 -6.750 12.967 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.102 -6.956 12.841 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.275 -5.435 13.695 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.010 -4.265 11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.838 -5.785 11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.733 -4.525 10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.265 -5.968 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.432 -4.494 11.730 1.00 0.00 H new ATOM 51 N VAL A 4 -7.508 -8.918 17.162 1.00 0.00 N ATOM 52 CA VAL A 4 -7.690 -9.525 18.481 1.00 0.00 C ATOM 53 C VAL A 4 -6.420 -10.254 18.909 1.00 0.00 C ATOM 54 O VAL A 4 -5.902 -11.097 18.179 1.00 0.00 O ATOM 55 CB VAL A 4 -8.861 -10.513 18.442 1.00 0.00 C ATOM 56 CG1 VAL A 4 -8.481 -11.749 17.615 1.00 0.00 C ATOM 57 CG2 VAL A 4 -9.210 -10.939 19.872 1.00 0.00 C ATOM 0 H VAL A 4 -7.654 -9.555 16.379 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.905 -8.736 19.202 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.723 -10.031 17.980 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.320 -12.445 17.594 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.236 -11.445 16.597 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.617 -12.237 18.066 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.043 -11.642 19.849 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.344 -11.417 20.331 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.492 -10.062 20.454 1.00 0.00 H new ATOM 67 N GLU A 5 -5.924 -9.919 20.094 1.00 0.00 N ATOM 68 CA GLU A 5 -4.715 -10.548 20.609 1.00 0.00 C ATOM 69 C GLU A 5 -4.864 -12.066 20.611 1.00 0.00 C ATOM 70 O GLU A 5 -5.906 -12.598 20.224 1.00 0.00 O ATOM 71 CB GLU A 5 -4.439 -10.057 22.029 1.00 0.00 C ATOM 72 CG GLU A 5 -4.058 -8.574 21.991 1.00 0.00 C ATOM 73 CD GLU A 5 -3.888 -8.044 23.410 1.00 0.00 C ATOM 74 OE1 GLU A 5 -4.022 -8.827 24.335 1.00 0.00 O ATOM 75 OE2 GLU A 5 -3.625 -6.860 23.552 1.00 0.00 O ATOM 0 H GLU A 5 -6.337 -9.221 20.712 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.880 -10.277 19.963 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.321 -10.201 22.653 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.633 -10.639 22.476 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.132 -8.442 21.431 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.829 -8.005 21.471 1.00 0.00 H new ATOM 82 N PHE A 6 -3.818 -12.756 21.047 1.00 0.00 N ATOM 83 CA PHE A 6 -3.835 -14.217 21.098 1.00 0.00 C ATOM 84 C PHE A 6 -2.794 -14.727 22.084 1.00 0.00 C ATOM 85 O PHE A 6 -1.883 -15.464 21.702 1.00 0.00 O ATOM 86 CB PHE A 6 -3.549 -14.795 19.702 1.00 0.00 C ATOM 87 CG PHE A 6 -4.808 -14.774 18.875 1.00 0.00 C ATOM 88 CD1 PHE A 6 -5.862 -15.633 19.203 1.00 0.00 C ATOM 89 CD2 PHE A 6 -4.925 -13.902 17.787 1.00 0.00 C ATOM 90 CE1 PHE A 6 -7.032 -15.625 18.444 1.00 0.00 C ATOM 91 CE2 PHE A 6 -6.098 -13.895 17.028 1.00 0.00 C ATOM 92 CZ PHE A 6 -7.151 -14.756 17.354 1.00 0.00 C ATOM 0 H PHE A 6 -2.949 -12.332 21.370 1.00 0.00 H new ATOM 0 HA PHE A 6 -4.822 -14.540 21.428 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.770 -14.213 19.210 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.177 -15.816 19.790 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.770 -16.303 20.045 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.112 -13.237 17.535 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -7.845 -16.289 18.697 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.192 -13.223 16.188 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.056 -14.750 16.764 1.00 0.00 H new ATOM 102 N ASN A 7 -2.938 -14.338 23.354 1.00 0.00 N ATOM 103 CA ASN A 7 -2.008 -14.764 24.401 1.00 0.00 C ATOM 104 C ASN A 7 -0.595 -14.931 23.846 1.00 0.00 C ATOM 105 O ASN A 7 0.186 -13.979 23.809 1.00 0.00 O ATOM 106 CB ASN A 7 -2.477 -16.093 25.001 1.00 0.00 C ATOM 107 CG ASN A 7 -3.805 -15.897 25.729 1.00 0.00 C ATOM 108 OD1 ASN A 7 -4.213 -14.690 26.013 1.00 0.00 O flip ATOM 109 ND2 ASN A 7 -4.490 -16.870 26.042 1.00 0.00 N flip ATOM 0 H ASN A 7 -3.689 -13.730 23.681 1.00 0.00 H new ATOM 0 HA ASN A 7 -1.990 -13.994 25.172 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.591 -16.837 24.213 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.726 -16.474 25.693 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.169 -17.812 25.819 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.378 -16.734 26.524 1.00 0.00 H new ATOM 116 N ASP A 8 -0.282 -16.147 23.396 1.00 0.00 N ATOM 117 CA ASP A 8 1.031 -16.436 22.829 1.00 0.00 C ATOM 118 C ASP A 8 0.915 -17.421 21.677 1.00 0.00 C ATOM 119 O ASP A 8 -0.186 -17.732 21.220 1.00 0.00 O ATOM 120 CB ASP A 8 1.950 -17.011 23.902 1.00 0.00 C ATOM 121 CG ASP A 8 1.370 -18.315 24.438 1.00 0.00 C ATOM 122 OD1 ASP A 8 0.256 -18.643 24.062 1.00 0.00 O ATOM 123 OD2 ASP A 8 2.050 -18.969 25.209 1.00 0.00 O ATOM 0 H ASP A 8 -0.919 -16.943 23.414 1.00 0.00 H new ATOM 0 HA ASP A 8 1.452 -15.504 22.452 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.942 -17.188 23.487 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.068 -16.294 24.715 1.00 0.00 H new ATOM 128 N LYS A 9 2.059 -17.903 21.205 1.00 0.00 N ATOM 129 CA LYS A 9 2.068 -18.848 20.091 1.00 0.00 C ATOM 130 C LYS A 9 1.766 -20.269 20.584 1.00 0.00 C ATOM 131 O LYS A 9 2.121 -20.627 21.707 1.00 0.00 O ATOM 132 CB LYS A 9 3.435 -18.830 19.401 1.00 0.00 C ATOM 133 CG LYS A 9 4.542 -18.894 20.450 1.00 0.00 C ATOM 134 CD LYS A 9 5.868 -19.243 19.771 1.00 0.00 C ATOM 135 CE LYS A 9 6.945 -19.446 20.835 1.00 0.00 C ATOM 136 NZ LYS A 9 8.217 -19.864 20.180 1.00 0.00 N ATOM 0 H LYS A 9 2.981 -17.661 21.569 1.00 0.00 H new ATOM 0 HA LYS A 9 1.296 -18.548 19.382 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.519 -19.675 18.718 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.539 -17.925 18.803 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.626 -17.937 20.965 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.300 -19.642 21.205 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.756 -20.148 19.174 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.161 -18.445 19.089 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.098 -18.523 21.394 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.626 -20.203 21.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.951 -20.002 20.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.066 -20.755 19.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.523 -19.127 19.513 1.00 0.00 H new ATOM 150 N PRO A 10 1.128 -21.079 19.772 1.00 0.00 N ATOM 151 CA PRO A 10 0.785 -22.486 20.147 1.00 0.00 C ATOM 152 C PRO A 10 2.022 -23.384 20.229 1.00 0.00 C ATOM 153 O PRO A 10 2.283 -24.183 19.331 1.00 0.00 O ATOM 154 CB PRO A 10 -0.158 -22.940 19.020 1.00 0.00 C ATOM 155 CG PRO A 10 0.207 -22.091 17.845 1.00 0.00 C ATOM 156 CD PRO A 10 0.657 -20.748 18.416 1.00 0.00 C ATOM 0 HA PRO A 10 0.333 -22.549 21.137 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.026 -23.999 18.798 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.202 -22.800 19.299 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.004 -22.553 17.263 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.644 -21.964 17.176 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.450 -20.304 17.815 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.163 -20.030 18.442 1.00 0.00 H new ATOM 164 N LYS A 11 2.777 -23.247 21.313 1.00 0.00 N ATOM 165 CA LYS A 11 3.975 -24.051 21.497 1.00 0.00 C ATOM 166 C LYS A 11 3.617 -25.533 21.539 1.00 0.00 C ATOM 167 O LYS A 11 4.336 -26.371 20.997 1.00 0.00 O ATOM 168 CB LYS A 11 4.670 -23.653 22.797 1.00 0.00 C ATOM 169 CG LYS A 11 5.995 -24.413 22.926 1.00 0.00 C ATOM 170 CD LYS A 11 6.701 -24.017 24.229 1.00 0.00 C ATOM 171 CE LYS A 11 7.366 -22.641 24.084 1.00 0.00 C ATOM 172 NZ LYS A 11 8.284 -22.413 25.235 1.00 0.00 N ATOM 0 H LYS A 11 2.582 -22.592 22.070 1.00 0.00 H new ATOM 0 HA LYS A 11 4.648 -23.875 20.658 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.853 -22.579 22.809 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.027 -23.876 23.648 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.810 -25.487 22.914 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.636 -24.191 22.073 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.981 -23.995 25.047 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.452 -24.765 24.485 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.920 -22.589 23.147 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.607 -21.860 24.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.736 -21.481 25.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.743 -22.446 26.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.015 -23.153 25.248 1.00 0.00 H new ATOM 186 N VAL A 12 2.502 -25.846 22.189 1.00 0.00 N ATOM 187 CA VAL A 12 2.063 -27.231 22.296 1.00 0.00 C ATOM 188 C VAL A 12 1.553 -27.735 20.950 1.00 0.00 C ATOM 189 O VAL A 12 2.212 -28.534 20.284 1.00 0.00 O ATOM 190 CB VAL A 12 0.952 -27.348 23.343 1.00 0.00 C ATOM 191 CG1 VAL A 12 0.440 -28.790 23.396 1.00 0.00 C ATOM 192 CG2 VAL A 12 1.507 -26.948 24.715 1.00 0.00 C ATOM 0 H VAL A 12 1.892 -25.168 22.645 1.00 0.00 H new ATOM 0 HA VAL A 12 2.914 -27.841 22.601 1.00 0.00 H new ATOM 0 HB VAL A 12 0.128 -26.687 23.074 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.350 -28.868 24.142 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.046 -29.072 22.420 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.259 -29.457 23.664 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.719 -27.030 25.464 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.331 -27.610 24.981 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.866 -25.919 24.677 1.00 0.00 H new ATOM 202 N ARG A 13 0.374 -27.266 20.558 1.00 0.00 N ATOM 203 CA ARG A 13 -0.223 -27.677 19.294 1.00 0.00 C ATOM 204 C ARG A 13 0.720 -27.382 18.138 1.00 0.00 C ATOM 205 O ARG A 13 1.755 -26.736 18.314 1.00 0.00 O ATOM 206 CB ARG A 13 -1.545 -26.936 19.078 1.00 0.00 C ATOM 207 CG ARG A 13 -2.466 -27.117 20.292 1.00 0.00 C ATOM 208 CD ARG A 13 -2.943 -28.567 20.379 1.00 0.00 C ATOM 209 NE ARG A 13 -4.023 -28.690 21.356 1.00 0.00 N ATOM 210 CZ ARG A 13 -4.234 -29.829 22.007 1.00 0.00 C ATOM 211 NH1 ARG A 13 -3.471 -30.866 21.779 1.00 0.00 N ATOM 212 NH2 ARG A 13 -5.207 -29.913 22.870 1.00 0.00 N ATOM 0 H ARG A 13 -0.185 -26.603 21.095 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.409 -28.750 19.332 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.352 -25.876 18.915 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.037 -27.312 18.181 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.935 -26.845 21.204 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.323 -26.448 20.211 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.289 -28.902 19.401 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.112 -29.213 20.662 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.625 -27.888 21.541 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.712 -30.802 21.100 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.635 -31.739 22.280 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.805 -29.105 23.045 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.371 -30.786 23.371 1.00 0.00 H new ATOM 226 N LYS A 14 0.359 -27.869 16.956 1.00 0.00 N ATOM 227 CA LYS A 14 1.182 -27.663 15.772 1.00 0.00 C ATOM 228 C LYS A 14 1.358 -26.181 15.500 1.00 0.00 C ATOM 229 O LYS A 14 0.425 -25.394 15.650 1.00 0.00 O ATOM 230 CB LYS A 14 0.542 -28.331 14.558 1.00 0.00 C ATOM 231 CG LYS A 14 -0.846 -27.734 14.321 1.00 0.00 C ATOM 232 CD LYS A 14 -1.529 -28.473 13.171 1.00 0.00 C ATOM 233 CE LYS A 14 -2.934 -27.904 12.965 1.00 0.00 C ATOM 234 NZ LYS A 14 -2.839 -26.447 12.655 1.00 0.00 N ATOM 0 H LYS A 14 -0.493 -28.406 16.793 1.00 0.00 H new ATOM 0 HA LYS A 14 2.159 -28.111 15.954 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.168 -28.185 13.677 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.465 -29.406 14.720 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.447 -27.814 15.227 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.762 -26.673 14.087 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.944 -28.367 12.257 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.585 -29.539 13.391 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.435 -28.428 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.535 -28.058 13.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.709 -26.136 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.720 -25.911 13.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.022 -26.277 12.034 1.00 0.00 H new ATOM 248 N ILE A 15 2.566 -25.806 15.111 1.00 0.00 N ATOM 249 CA ILE A 15 2.857 -24.408 14.840 1.00 0.00 C ATOM 250 C ILE A 15 2.090 -23.926 13.604 1.00 0.00 C ATOM 251 O ILE A 15 1.644 -24.737 12.790 1.00 0.00 O ATOM 252 CB ILE A 15 4.379 -24.206 14.632 1.00 0.00 C ATOM 253 CG1 ILE A 15 5.013 -25.526 14.174 1.00 0.00 C ATOM 254 CG2 ILE A 15 5.037 -23.749 15.941 1.00 0.00 C ATOM 255 CD1 ILE A 15 6.385 -25.255 13.561 1.00 0.00 C ATOM 0 H ILE A 15 3.352 -26.442 14.977 1.00 0.00 H new ATOM 0 HA ILE A 15 2.536 -23.819 15.699 1.00 0.00 H new ATOM 0 HB ILE A 15 4.534 -23.441 13.871 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.110 -26.206 15.020 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.369 -26.016 13.444 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.106 -23.611 15.782 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.593 -22.807 16.262 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.880 -24.505 16.711 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.831 -26.195 13.237 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.276 -24.591 12.703 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.029 -24.785 14.304 1.00 0.00 H new ATOM 267 N PRO A 16 1.946 -22.629 13.439 1.00 0.00 N ATOM 268 CA PRO A 16 1.241 -22.048 12.258 1.00 0.00 C ATOM 269 C PRO A 16 1.837 -22.535 10.935 1.00 0.00 C ATOM 270 O PRO A 16 3.046 -22.736 10.821 1.00 0.00 O ATOM 271 CB PRO A 16 1.436 -20.528 12.417 1.00 0.00 C ATOM 272 CG PRO A 16 1.715 -20.311 13.869 1.00 0.00 C ATOM 273 CD PRO A 16 2.428 -21.571 14.359 1.00 0.00 C ATOM 0 HA PRO A 16 0.193 -22.344 12.226 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.262 -20.172 11.801 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.546 -19.983 12.103 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.337 -19.429 14.018 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.791 -20.146 14.423 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.511 -21.462 14.311 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.176 -21.796 15.395 1.00 0.00 H new ATOM 281 N SER A 17 0.974 -22.720 9.937 1.00 0.00 N ATOM 282 CA SER A 17 1.409 -23.179 8.617 1.00 0.00 C ATOM 283 C SER A 17 1.476 -22.009 7.637 1.00 0.00 C ATOM 284 O SER A 17 1.658 -22.204 6.435 1.00 0.00 O ATOM 285 CB SER A 17 0.440 -24.230 8.085 1.00 0.00 C ATOM 286 OG SER A 17 0.616 -24.360 6.679 1.00 0.00 O ATOM 0 H SER A 17 -0.030 -22.559 10.017 1.00 0.00 H new ATOM 0 HA SER A 17 2.403 -23.616 8.716 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.617 -25.187 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.587 -23.942 8.310 1.00 0.00 H new ATOM 0 HG SER A 17 1.428 -23.884 6.406 1.00 0.00 H new ATOM 292 N THR A 18 1.325 -20.792 8.161 1.00 0.00 N ATOM 293 CA THR A 18 1.369 -19.585 7.332 1.00 0.00 C ATOM 294 C THR A 18 2.622 -18.775 7.638 1.00 0.00 C ATOM 295 O THR A 18 3.436 -19.162 8.475 1.00 0.00 O ATOM 296 CB THR A 18 0.128 -18.727 7.593 1.00 0.00 C ATOM 297 OG1 THR A 18 0.374 -17.393 7.171 1.00 0.00 O ATOM 298 CG2 THR A 18 -0.200 -18.735 9.081 1.00 0.00 C ATOM 0 H THR A 18 1.171 -20.615 9.154 1.00 0.00 H new ATOM 0 HA THR A 18 1.389 -19.885 6.284 1.00 0.00 H new ATOM 0 HB THR A 18 -0.714 -19.136 7.035 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.444 -17.015 6.786 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.084 -18.123 9.262 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.394 -19.757 9.405 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.643 -18.330 9.641 1.00 0.00 H new ATOM 306 N ARG A 19 2.773 -17.649 6.944 1.00 0.00 N ATOM 307 CA ARG A 19 3.932 -16.781 7.134 1.00 0.00 C ATOM 308 C ARG A 19 3.507 -15.317 7.115 1.00 0.00 C ATOM 309 O ARG A 19 2.384 -14.986 6.722 1.00 0.00 O ATOM 310 CB ARG A 19 4.960 -17.040 6.029 1.00 0.00 C ATOM 311 CG ARG A 19 4.340 -16.722 4.667 1.00 0.00 C ATOM 312 CD ARG A 19 5.335 -17.066 3.560 1.00 0.00 C ATOM 313 NE ARG A 19 4.769 -16.736 2.257 1.00 0.00 N ATOM 314 CZ ARG A 19 5.264 -17.261 1.141 1.00 0.00 C ATOM 315 NH1 ARG A 19 6.266 -18.093 1.201 1.00 0.00 N ATOM 316 NH2 ARG A 19 4.743 -16.947 -0.013 1.00 0.00 N ATOM 0 H ARG A 19 2.108 -17.317 6.246 1.00 0.00 H new ATOM 0 HA ARG A 19 4.381 -17.001 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.845 -16.424 6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.286 -18.080 6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.420 -17.291 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.073 -15.667 4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.264 -16.516 3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.582 -18.127 3.600 1.00 0.00 H new ATOM 0 HE ARG A 19 3.980 -16.092 2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.670 -18.341 2.104 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.646 -18.496 0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.956 -16.299 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.122 -17.349 -0.870 1.00 0.00 H new ATOM 330 N LYS A 20 4.416 -14.442 7.538 1.00 0.00 N ATOM 331 CA LYS A 20 4.147 -13.005 7.574 1.00 0.00 C ATOM 332 C LYS A 20 5.073 -12.265 6.619 1.00 0.00 C ATOM 333 O LYS A 20 6.223 -12.657 6.418 1.00 0.00 O ATOM 334 CB LYS A 20 4.342 -12.474 8.994 1.00 0.00 C ATOM 335 CG LYS A 20 3.257 -13.046 9.907 1.00 0.00 C ATOM 336 CD LYS A 20 3.465 -12.527 11.330 1.00 0.00 C ATOM 337 CE LYS A 20 2.378 -13.097 12.245 1.00 0.00 C ATOM 338 NZ LYS A 20 2.583 -12.592 13.631 1.00 0.00 N ATOM 0 H LYS A 20 5.348 -14.703 7.861 1.00 0.00 H new ATOM 0 HA LYS A 20 3.116 -12.838 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.328 -12.752 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.296 -11.385 8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.271 -12.757 9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.294 -14.135 9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.451 -12.817 11.694 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.429 -11.438 11.340 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.392 -12.806 11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.413 -14.186 12.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.845 -12.978 14.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.518 -12.891 13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.529 -11.553 13.634 1.00 0.00 H new ATOM 352 N ILE A 21 4.560 -11.184 6.033 1.00 0.00 N ATOM 353 CA ILE A 21 5.335 -10.376 5.094 1.00 0.00 C ATOM 354 C ILE A 21 5.251 -8.900 5.469 1.00 0.00 C ATOM 355 O ILE A 21 4.162 -8.329 5.555 1.00 0.00 O ATOM 356 CB ILE A 21 4.795 -10.582 3.671 1.00 0.00 C ATOM 357 CG1 ILE A 21 5.814 -10.032 2.667 1.00 0.00 C ATOM 358 CG2 ILE A 21 3.449 -9.862 3.498 1.00 0.00 C ATOM 359 CD1 ILE A 21 5.271 -10.173 1.244 1.00 0.00 C ATOM 0 H ILE A 21 3.610 -10.848 6.192 1.00 0.00 H new ATOM 0 HA ILE A 21 6.378 -10.689 5.136 1.00 0.00 H new ATOM 0 HB ILE A 21 4.640 -11.646 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.022 -8.984 2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.757 -10.570 2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.080 -10.018 2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.728 -10.261 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.582 -8.795 3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.000 -9.780 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.086 -11.225 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.339 -9.614 1.153 1.00 0.00 H new ATOM 371 N LYS A 22 6.408 -8.287 5.701 1.00 0.00 N ATOM 372 CA LYS A 22 6.461 -6.876 6.073 1.00 0.00 C ATOM 373 C LYS A 22 6.797 -6.033 4.857 1.00 0.00 C ATOM 374 O LYS A 22 7.832 -6.231 4.221 1.00 0.00 O ATOM 375 CB LYS A 22 7.518 -6.662 7.146 1.00 0.00 C ATOM 376 CG LYS A 22 7.450 -5.214 7.633 1.00 0.00 C ATOM 377 CD LYS A 22 8.405 -5.023 8.810 1.00 0.00 C ATOM 378 CE LYS A 22 8.312 -3.582 9.313 1.00 0.00 C ATOM 379 NZ LYS A 22 9.233 -3.400 10.471 1.00 0.00 N ATOM 0 H LYS A 22 7.318 -8.743 5.638 1.00 0.00 H new ATOM 0 HA LYS A 22 5.487 -6.577 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.353 -7.347 7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.509 -6.878 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.715 -4.535 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.432 -4.969 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.154 -5.717 9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.427 -5.247 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.574 -2.889 8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.288 -3.354 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.170 -2.420 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.963 -4.052 11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.209 -3.601 10.173 1.00 0.00 H new ATOM 393 N ILE A 23 5.909 -5.096 4.524 1.00 0.00 N ATOM 394 CA ILE A 23 6.117 -4.234 3.360 1.00 0.00 C ATOM 395 C ILE A 23 6.697 -2.896 3.795 1.00 0.00 C ATOM 396 O ILE A 23 6.046 -2.123 4.498 1.00 0.00 O ATOM 397 CB ILE A 23 4.784 -4.003 2.640 1.00 0.00 C ATOM 398 CG1 ILE A 23 4.004 -5.319 2.567 1.00 0.00 C ATOM 399 CG2 ILE A 23 5.043 -3.484 1.223 1.00 0.00 C ATOM 400 CD1 ILE A 23 4.889 -6.425 1.987 1.00 0.00 C ATOM 0 H ILE A 23 5.047 -4.915 5.038 1.00 0.00 H new ATOM 0 HA ILE A 23 6.817 -4.723 2.682 1.00 0.00 H new ATOM 0 HB ILE A 23 4.202 -3.266 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.660 -5.602 3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.116 -5.191 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.092 -3.321 0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.592 -2.544 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.629 -4.217 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.324 -7.356 1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.211 -6.145 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.763 -6.563 2.624 1.00 0.00 H new ATOM 412 N THR A 24 7.925 -2.625 3.367 1.00 0.00 N ATOM 413 CA THR A 24 8.589 -1.376 3.713 1.00 0.00 C ATOM 414 C THR A 24 9.635 -1.021 2.665 1.00 0.00 C ATOM 415 O THR A 24 10.601 -1.760 2.463 1.00 0.00 O ATOM 416 CB THR A 24 9.261 -1.503 5.082 1.00 0.00 C ATOM 417 OG1 THR A 24 8.280 -1.811 6.062 1.00 0.00 O ATOM 418 CG2 THR A 24 9.947 -0.184 5.439 1.00 0.00 C ATOM 0 H THR A 24 8.478 -3.251 2.782 1.00 0.00 H new ATOM 0 HA THR A 24 7.840 -0.585 3.748 1.00 0.00 H new ATOM 0 HB THR A 24 10.005 -2.299 5.051 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.470 -1.312 6.884 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.425 -0.275 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.700 0.050 4.686 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.206 0.614 5.472 1.00 0.00 H new ATOM 426 N PHE A 25 9.441 0.115 1.999 1.00 0.00 N ATOM 427 CA PHE A 25 10.379 0.570 0.971 1.00 0.00 C ATOM 428 C PHE A 25 10.693 2.051 1.155 1.00 0.00 C ATOM 429 O PHE A 25 9.808 2.854 1.446 1.00 0.00 O ATOM 430 CB PHE A 25 9.778 0.338 -0.416 1.00 0.00 C ATOM 431 CG PHE A 25 9.714 -1.148 -0.693 1.00 0.00 C ATOM 432 CD1 PHE A 25 10.842 -1.816 -1.189 1.00 0.00 C ATOM 433 CD2 PHE A 25 8.530 -1.855 -0.452 1.00 0.00 C ATOM 434 CE1 PHE A 25 10.782 -3.192 -1.443 1.00 0.00 C ATOM 435 CE2 PHE A 25 8.472 -3.230 -0.708 1.00 0.00 C ATOM 436 CZ PHE A 25 9.598 -3.897 -1.203 1.00 0.00 C ATOM 0 H PHE A 25 8.647 0.736 2.151 1.00 0.00 H new ATOM 0 HA PHE A 25 11.304 0.001 1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.780 0.772 -0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 25 10.383 0.835 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.756 -1.271 -1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.662 -1.340 -0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.650 -3.709 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.559 -3.776 -0.524 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.553 -4.958 -1.400 1.00 0.00 H new ATOM 446 N ALA A 26 11.964 2.403 0.983 1.00 0.00 N ATOM 447 CA ALA A 26 12.389 3.790 1.134 1.00 0.00 C ATOM 448 C ALA A 26 11.710 4.666 0.094 1.00 0.00 C ATOM 449 O ALA A 26 11.503 4.246 -1.045 1.00 0.00 O ATOM 450 CB ALA A 26 13.907 3.894 0.980 1.00 0.00 C ATOM 0 H ALA A 26 12.712 1.753 0.741 1.00 0.00 H new ATOM 0 HA ALA A 26 12.104 4.133 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.214 4.934 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.393 3.286 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.198 3.536 -0.008 1.00 0.00 H new ATOM 456 N LEU A 27 11.360 5.886 0.494 1.00 0.00 N ATOM 457 CA LEU A 27 10.693 6.828 -0.407 1.00 0.00 C ATOM 458 C LEU A 27 11.237 8.239 -0.209 1.00 0.00 C ATOM 459 O LEU A 27 12.068 8.710 -0.986 1.00 0.00 O ATOM 460 CB LEU A 27 9.184 6.818 -0.144 1.00 0.00 C ATOM 461 CG LEU A 27 8.591 5.459 -0.561 1.00 0.00 C ATOM 462 CD1 LEU A 27 7.128 5.380 -0.108 1.00 0.00 C ATOM 463 CD2 LEU A 27 8.684 5.270 -2.092 1.00 0.00 C ATOM 0 H LEU A 27 11.526 6.247 1.434 1.00 0.00 H new ATOM 0 HA LEU A 27 10.887 6.520 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.988 7.002 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.703 7.622 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 27 9.163 4.663 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.707 4.419 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.077 5.482 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.559 6.184 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.260 4.304 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.129 6.065 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.729 5.308 -2.401 1.00 0.00 H new ATOM 475 N ASP A 28 10.761 8.912 0.833 1.00 0.00 N ATOM 476 CA ASP A 28 11.207 10.269 1.120 1.00 0.00 C ATOM 477 C ASP A 28 10.991 10.604 2.590 1.00 0.00 C ATOM 478 O ASP A 28 11.945 10.872 3.322 1.00 0.00 O ATOM 479 CB ASP A 28 10.441 11.265 0.247 1.00 0.00 C ATOM 480 CG ASP A 28 8.943 11.116 0.481 1.00 0.00 C ATOM 481 OD1 ASP A 28 8.511 10.004 0.732 1.00 0.00 O ATOM 482 OD2 ASP A 28 8.250 12.117 0.406 1.00 0.00 O ATOM 0 H ASP A 28 10.072 8.543 1.488 1.00 0.00 H new ATOM 0 HA ASP A 28 12.272 10.337 0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.755 12.282 0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.672 11.093 -0.804 1.00 0.00 H new ATOM 487 N ALA A 29 9.733 10.587 3.019 1.00 0.00 N ATOM 488 CA ALA A 29 9.406 10.893 4.406 1.00 0.00 C ATOM 489 C ALA A 29 7.904 10.758 4.647 1.00 0.00 C ATOM 490 O ALA A 29 7.454 9.864 5.362 1.00 0.00 O ATOM 491 CB ALA A 29 9.855 12.317 4.742 1.00 0.00 C ATOM 0 H ALA A 29 8.929 10.366 2.431 1.00 0.00 H new ATOM 0 HA ALA A 29 9.928 10.185 5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.608 12.541 5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.932 12.402 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.345 13.023 4.087 1.00 0.00 H new ATOM 497 N THR A 30 7.135 11.658 4.047 1.00 0.00 N ATOM 498 CA THR A 30 5.686 11.637 4.210 1.00 0.00 C ATOM 499 C THR A 30 5.104 10.338 3.665 1.00 0.00 C ATOM 500 O THR A 30 4.345 9.648 4.345 1.00 0.00 O ATOM 501 CB THR A 30 5.057 12.827 3.468 1.00 0.00 C ATOM 502 OG1 THR A 30 4.704 12.428 2.148 1.00 0.00 O ATOM 503 CG2 THR A 30 6.056 13.982 3.391 1.00 0.00 C ATOM 0 H THR A 30 7.486 12.405 3.448 1.00 0.00 H new ATOM 0 HA THR A 30 5.460 11.708 5.274 1.00 0.00 H new ATOM 0 HB THR A 30 4.168 13.153 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.302 13.185 1.674 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.602 14.821 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.331 14.293 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.948 13.657 2.856 1.00 0.00 H new ATOM 511 N PHE A 31 5.467 10.008 2.432 1.00 0.00 N ATOM 512 CA PHE A 31 4.969 8.796 1.805 1.00 0.00 C ATOM 513 C PHE A 31 5.572 7.566 2.475 1.00 0.00 C ATOM 514 O PHE A 31 5.033 6.462 2.378 1.00 0.00 O ATOM 515 CB PHE A 31 5.314 8.788 0.316 1.00 0.00 C ATOM 516 CG PHE A 31 4.794 10.052 -0.332 1.00 0.00 C ATOM 517 CD1 PHE A 31 3.417 10.297 -0.376 1.00 0.00 C ATOM 518 CD2 PHE A 31 5.687 10.980 -0.884 1.00 0.00 C ATOM 519 CE1 PHE A 31 2.934 11.469 -0.968 1.00 0.00 C ATOM 520 CE2 PHE A 31 5.203 12.152 -1.475 1.00 0.00 C ATOM 521 CZ PHE A 31 3.828 12.397 -1.516 1.00 0.00 C ATOM 0 H PHE A 31 6.100 10.559 1.852 1.00 0.00 H new ATOM 0 HA PHE A 31 3.885 8.771 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.393 8.717 0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.875 7.914 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.727 9.582 0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.750 10.790 -0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.871 11.658 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.892 12.867 -1.899 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.455 13.303 -1.971 1.00 0.00 H new ATOM 531 N ASP A 32 6.700 7.764 3.155 1.00 0.00 N ATOM 532 CA ASP A 32 7.370 6.667 3.841 1.00 0.00 C ATOM 533 C ASP A 32 6.570 6.225 5.062 1.00 0.00 C ATOM 534 O ASP A 32 6.257 5.043 5.217 1.00 0.00 O ATOM 535 CB ASP A 32 8.774 7.099 4.272 1.00 0.00 C ATOM 536 CG ASP A 32 9.485 5.946 4.972 1.00 0.00 C ATOM 537 OD1 ASP A 32 9.742 4.950 4.316 1.00 0.00 O ATOM 538 OD2 ASP A 32 9.762 6.077 6.152 1.00 0.00 O ATOM 0 H ASP A 32 7.164 8.668 3.244 1.00 0.00 H new ATOM 0 HA ASP A 32 7.446 5.826 3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.349 7.416 3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.710 7.957 4.941 1.00 0.00 H new ATOM 543 N SER A 33 6.240 7.181 5.923 1.00 0.00 N ATOM 544 CA SER A 33 5.472 6.876 7.127 1.00 0.00 C ATOM 545 C SER A 33 4.048 6.469 6.767 1.00 0.00 C ATOM 546 O SER A 33 3.496 5.530 7.340 1.00 0.00 O ATOM 547 CB SER A 33 5.438 8.098 8.045 1.00 0.00 C ATOM 548 OG SER A 33 4.849 9.188 7.350 1.00 0.00 O ATOM 0 H SER A 33 6.488 8.164 5.813 1.00 0.00 H new ATOM 0 HA SER A 33 5.954 6.046 7.643 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.867 7.875 8.946 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.448 8.357 8.363 1.00 0.00 H new ATOM 0 HG SER A 33 4.824 9.974 7.935 1.00 0.00 H new ATOM 554 N VAL A 34 3.459 7.177 5.809 1.00 0.00 N ATOM 555 CA VAL A 34 2.099 6.875 5.382 1.00 0.00 C ATOM 556 C VAL A 34 2.033 5.478 4.783 1.00 0.00 C ATOM 557 O VAL A 34 1.129 4.700 5.089 1.00 0.00 O ATOM 558 CB VAL A 34 1.636 7.904 4.348 1.00 0.00 C ATOM 559 CG1 VAL A 34 0.272 7.495 3.786 1.00 0.00 C ATOM 560 CG2 VAL A 34 1.517 9.275 5.015 1.00 0.00 C ATOM 0 H VAL A 34 3.897 7.956 5.318 1.00 0.00 H new ATOM 0 HA VAL A 34 1.442 6.918 6.250 1.00 0.00 H new ATOM 0 HB VAL A 34 2.362 7.951 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.054 8.230 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.353 6.517 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.455 7.446 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.187 10.010 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.792 9.223 5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.487 9.571 5.414 1.00 0.00 H new ATOM 570 N LEU A 35 2.993 5.166 3.923 1.00 0.00 N ATOM 571 CA LEU A 35 3.029 3.857 3.288 1.00 0.00 C ATOM 572 C LEU A 35 3.210 2.762 4.331 1.00 0.00 C ATOM 573 O LEU A 35 2.565 1.716 4.263 1.00 0.00 O ATOM 574 CB LEU A 35 4.174 3.793 2.268 1.00 0.00 C ATOM 575 CG LEU A 35 4.254 2.387 1.643 1.00 0.00 C ATOM 576 CD1 LEU A 35 2.908 2.015 0.996 1.00 0.00 C ATOM 577 CD2 LEU A 35 5.364 2.370 0.584 1.00 0.00 C ATOM 0 H LEU A 35 3.749 5.794 3.651 1.00 0.00 H new ATOM 0 HA LEU A 35 2.081 3.700 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.017 4.537 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.118 4.036 2.755 1.00 0.00 H new ATOM 0 HG LEU A 35 4.478 1.658 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.978 1.019 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.125 2.024 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.667 2.738 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.426 1.377 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.139 3.103 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.317 2.618 1.052 1.00 0.00 H new ATOM 589 N SER A 36 4.095 3.003 5.289 1.00 0.00 N ATOM 590 CA SER A 36 4.357 2.020 6.332 1.00 0.00 C ATOM 591 C SER A 36 3.084 1.722 7.114 1.00 0.00 C ATOM 592 O SER A 36 2.775 0.565 7.395 1.00 0.00 O ATOM 593 CB SER A 36 5.432 2.543 7.282 1.00 0.00 C ATOM 594 OG SER A 36 4.986 3.764 7.858 1.00 0.00 O ATOM 0 H SER A 36 4.639 3.862 5.366 1.00 0.00 H new ATOM 0 HA SER A 36 4.706 1.100 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.633 1.810 8.063 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.367 2.700 6.743 1.00 0.00 H new ATOM 0 HG SER A 36 4.299 4.164 7.285 1.00 0.00 H new ATOM 600 N LYS A 37 2.347 2.772 7.458 1.00 0.00 N ATOM 601 CA LYS A 37 1.102 2.607 8.203 1.00 0.00 C ATOM 602 C LYS A 37 0.073 1.849 7.371 1.00 0.00 C ATOM 603 O LYS A 37 -0.645 0.990 7.884 1.00 0.00 O ATOM 604 CB LYS A 37 0.543 3.975 8.597 1.00 0.00 C ATOM 605 CG LYS A 37 1.443 4.606 9.659 1.00 0.00 C ATOM 606 CD LYS A 37 0.899 5.986 10.033 1.00 0.00 C ATOM 607 CE LYS A 37 1.794 6.615 11.101 1.00 0.00 C ATOM 608 NZ LYS A 37 1.265 7.964 11.459 1.00 0.00 N ATOM 0 H LYS A 37 2.586 3.738 7.236 1.00 0.00 H new ATOM 0 HA LYS A 37 1.314 2.031 9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.486 4.622 7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.471 3.868 8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.484 3.968 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.462 4.695 9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.863 6.626 9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.122 5.898 10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.826 5.978 11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.816 6.699 10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.873 8.394 12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.256 8.569 10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.297 7.871 11.828 1.00 0.00 H new ATOM 622 N ALA A 38 0.004 2.179 6.086 1.00 0.00 N ATOM 623 CA ALA A 38 -0.944 1.528 5.189 1.00 0.00 C ATOM 624 C ALA A 38 -0.697 0.023 5.146 1.00 0.00 C ATOM 625 O ALA A 38 -1.600 -0.755 4.836 1.00 0.00 O ATOM 626 CB ALA A 38 -0.811 2.107 3.778 1.00 0.00 C ATOM 0 H ALA A 38 0.589 2.888 5.644 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.951 1.709 5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.522 1.615 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.018 3.177 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.202 1.941 3.411 1.00 0.00 H new ATOM 632 N CYS A 39 0.530 -0.382 5.461 1.00 0.00 N ATOM 633 CA CYS A 39 0.884 -1.798 5.461 1.00 0.00 C ATOM 634 C CYS A 39 2.169 -2.030 6.254 1.00 0.00 C ATOM 635 O CYS A 39 3.181 -2.459 5.702 1.00 0.00 O ATOM 636 CB CYS A 39 1.059 -2.284 4.014 1.00 0.00 C ATOM 637 SG CYS A 39 -0.556 -2.728 3.329 1.00 0.00 S ATOM 0 H CYS A 39 1.292 0.246 5.718 1.00 0.00 H new ATOM 0 HA CYS A 39 0.082 -2.363 5.937 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.520 -1.503 3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.727 -3.145 3.986 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.480 -2.008 3.893 1.00 0.00 H new ATOM 643 N SER A 40 2.120 -1.742 7.552 1.00 0.00 N ATOM 644 CA SER A 40 3.290 -1.923 8.403 1.00 0.00 C ATOM 645 C SER A 40 3.609 -3.403 8.564 1.00 0.00 C ATOM 646 O SER A 40 4.720 -3.771 8.943 1.00 0.00 O ATOM 647 CB SER A 40 3.040 -1.301 9.776 1.00 0.00 C ATOM 648 OG SER A 40 1.935 -1.950 10.391 1.00 0.00 O ATOM 0 H SER A 40 1.293 -1.387 8.032 1.00 0.00 H new ATOM 0 HA SER A 40 4.139 -1.428 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.928 -1.400 10.400 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.839 -0.234 9.674 1.00 0.00 H new ATOM 0 HG SER A 40 1.773 -1.555 11.273 1.00 0.00 H new ATOM 654 N GLU A 41 2.626 -4.250 8.276 1.00 0.00 N ATOM 655 CA GLU A 41 2.810 -5.691 8.390 1.00 0.00 C ATOM 656 C GLU A 41 1.582 -6.429 7.873 1.00 0.00 C ATOM 657 O GLU A 41 0.448 -6.016 8.126 1.00 0.00 O ATOM 658 CB GLU A 41 3.064 -6.071 9.850 1.00 0.00 C ATOM 659 CG GLU A 41 2.075 -5.330 10.746 1.00 0.00 C ATOM 660 CD GLU A 41 2.230 -5.792 12.191 1.00 0.00 C ATOM 661 OE1 GLU A 41 3.355 -6.035 12.596 1.00 0.00 O ATOM 662 OE2 GLU A 41 1.222 -5.898 12.870 1.00 0.00 O ATOM 0 H GLU A 41 1.698 -3.964 7.963 1.00 0.00 H new ATOM 0 HA GLU A 41 3.671 -5.979 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.955 -7.148 9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.086 -5.818 10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.246 -4.256 10.679 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.056 -5.512 10.405 1.00 0.00 H new ATOM 669 N PHE A 42 1.810 -7.523 7.153 1.00 0.00 N ATOM 670 CA PHE A 42 0.713 -8.324 6.601 1.00 0.00 C ATOM 671 C PHE A 42 0.932 -9.802 6.912 1.00 0.00 C ATOM 672 O PHE A 42 2.060 -10.246 7.127 1.00 0.00 O ATOM 673 CB PHE A 42 0.622 -8.098 5.069 1.00 0.00 C ATOM 674 CG PHE A 42 -0.653 -7.360 4.727 1.00 0.00 C ATOM 675 CD1 PHE A 42 -0.773 -6.003 5.036 1.00 0.00 C ATOM 676 CD2 PHE A 42 -1.712 -8.039 4.114 1.00 0.00 C ATOM 677 CE1 PHE A 42 -1.956 -5.320 4.734 1.00 0.00 C ATOM 678 CE2 PHE A 42 -2.894 -7.358 3.809 1.00 0.00 C ATOM 679 CZ PHE A 42 -3.017 -5.998 4.121 1.00 0.00 C ATOM 0 H PHE A 42 2.741 -7.878 6.936 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.225 -8.013 7.060 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.485 -7.527 4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.647 -9.056 4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.047 -5.482 5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.616 -9.088 3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.051 -4.271 4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.711 -7.880 3.333 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.931 -5.472 3.889 1.00 0.00 H new ATOM 689 N GLU A 43 -0.164 -10.557 6.922 1.00 0.00 N ATOM 690 CA GLU A 43 -0.107 -11.989 7.194 1.00 0.00 C ATOM 691 C GLU A 43 -0.643 -12.768 5.998 1.00 0.00 C ATOM 692 O GLU A 43 -1.828 -12.680 5.668 1.00 0.00 O ATOM 693 CB GLU A 43 -0.935 -12.320 8.432 1.00 0.00 C ATOM 694 CG GLU A 43 -0.732 -13.790 8.793 1.00 0.00 C ATOM 695 CD GLU A 43 -1.528 -14.131 10.043 1.00 0.00 C ATOM 696 OE1 GLU A 43 -2.370 -13.335 10.422 1.00 0.00 O ATOM 697 OE2 GLU A 43 -1.283 -15.185 10.609 1.00 0.00 O ATOM 0 H GLU A 43 -1.103 -10.199 6.745 1.00 0.00 H new ATOM 0 HA GLU A 43 0.931 -12.271 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.636 -11.684 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.990 -12.122 8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.049 -14.424 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.327 -13.990 8.960 1.00 0.00 H new ATOM 704 N VAL A 44 0.239 -13.525 5.344 1.00 0.00 N ATOM 705 CA VAL A 44 -0.143 -14.315 4.171 1.00 0.00 C ATOM 706 C VAL A 44 0.173 -15.787 4.401 1.00 0.00 C ATOM 707 O VAL A 44 1.257 -16.138 4.870 1.00 0.00 O ATOM 708 CB VAL A 44 0.616 -13.821 2.933 1.00 0.00 C ATOM 709 CG1 VAL A 44 0.220 -12.374 2.633 1.00 0.00 C ATOM 710 CG2 VAL A 44 2.122 -13.895 3.191 1.00 0.00 C ATOM 0 H VAL A 44 1.221 -13.608 5.605 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.215 -14.198 4.010 1.00 0.00 H new ATOM 0 HB VAL A 44 0.363 -14.451 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.760 -12.024 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.852 -12.322 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.470 -11.744 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.660 -13.544 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.376 -13.268 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.405 -14.926 3.401 1.00 0.00 H new ATOM 720 N ASP A 45 -0.788 -16.646 4.070 1.00 0.00 N ATOM 721 CA ASP A 45 -0.617 -18.089 4.240 1.00 0.00 C ATOM 722 C ASP A 45 -0.097 -18.716 2.951 1.00 0.00 C ATOM 723 O ASP A 45 -0.506 -18.333 1.855 1.00 0.00 O ATOM 724 CB ASP A 45 -1.953 -18.726 4.625 1.00 0.00 C ATOM 725 CG ASP A 45 -2.612 -17.920 5.740 1.00 0.00 C ATOM 726 OD1 ASP A 45 -1.901 -17.203 6.425 1.00 0.00 O ATOM 727 OD2 ASP A 45 -3.816 -18.032 5.894 1.00 0.00 O ATOM 0 H ASP A 45 -1.691 -16.370 3.684 1.00 0.00 H new ATOM 0 HA ASP A 45 0.109 -18.266 5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.610 -18.766 3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.795 -19.754 4.952 1.00 0.00 H new ATOM 732 N LYS A 46 0.807 -19.683 3.090 1.00 0.00 N ATOM 733 CA LYS A 46 1.374 -20.357 1.925 1.00 0.00 C ATOM 734 C LYS A 46 0.264 -20.763 0.970 1.00 0.00 C ATOM 735 O LYS A 46 -0.408 -21.768 1.195 1.00 0.00 O ATOM 736 CB LYS A 46 2.130 -21.608 2.368 1.00 0.00 C ATOM 737 CG LYS A 46 2.805 -22.252 1.157 1.00 0.00 C ATOM 738 CD LYS A 46 3.628 -23.457 1.614 1.00 0.00 C ATOM 739 CE LYS A 46 4.304 -24.101 0.402 1.00 0.00 C ATOM 740 NZ LYS A 46 5.243 -23.128 -0.220 1.00 0.00 N ATOM 0 H LYS A 46 1.160 -20.015 3.988 1.00 0.00 H new ATOM 0 HA LYS A 46 2.057 -19.673 1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.877 -21.348 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.443 -22.315 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.054 -22.565 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.448 -21.527 0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.379 -23.144 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.985 -24.182 2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.843 -24.998 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.553 -24.412 -0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.903 -23.633 -0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.705 -22.432 -0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.779 -22.638 0.525 1.00 0.00 H new ATOM 754 N ASP A 47 0.088 -19.979 -0.091 1.00 0.00 N ATOM 755 CA ASP A 47 -0.943 -20.250 -1.099 1.00 0.00 C ATOM 756 C ASP A 47 -1.192 -19.002 -1.954 1.00 0.00 C ATOM 757 O ASP A 47 -2.303 -18.785 -2.439 1.00 0.00 O ATOM 758 CB ASP A 47 -2.262 -20.661 -0.422 1.00 0.00 C ATOM 759 CG ASP A 47 -2.510 -19.792 0.807 1.00 0.00 C ATOM 760 OD1 ASP A 47 -3.123 -18.747 0.656 1.00 0.00 O ATOM 761 OD2 ASP A 47 -2.080 -20.175 1.883 1.00 0.00 O ATOM 0 H ASP A 47 0.647 -19.147 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.590 -21.064 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.089 -20.557 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.220 -21.711 -0.133 1.00 0.00 H new ATOM 766 N VAL A 48 -0.161 -18.174 -2.129 1.00 0.00 N ATOM 767 CA VAL A 48 -0.296 -16.952 -2.917 1.00 0.00 C ATOM 768 C VAL A 48 0.942 -16.732 -3.773 1.00 0.00 C ATOM 769 O VAL A 48 2.069 -16.904 -3.310 1.00 0.00 O ATOM 770 CB VAL A 48 -0.492 -15.755 -1.983 1.00 0.00 C ATOM 771 CG1 VAL A 48 -1.781 -15.940 -1.181 1.00 0.00 C ATOM 772 CG2 VAL A 48 0.699 -15.657 -1.025 1.00 0.00 C ATOM 0 H VAL A 48 0.769 -18.327 -1.739 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.163 -17.052 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.560 -14.840 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.921 -15.088 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.628 -16.010 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.714 -16.854 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.561 -14.805 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.768 -16.571 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.617 -15.525 -1.598 1.00 0.00 H new ATOM 782 N THR A 49 0.727 -16.343 -5.027 1.00 0.00 N ATOM 783 CA THR A 49 1.836 -16.094 -5.940 1.00 0.00 C ATOM 784 C THR A 49 2.231 -14.624 -5.893 1.00 0.00 C ATOM 785 O THR A 49 1.426 -13.764 -5.539 1.00 0.00 O ATOM 786 CB THR A 49 1.428 -16.472 -7.368 1.00 0.00 C ATOM 787 OG1 THR A 49 0.406 -15.591 -7.816 1.00 0.00 O ATOM 788 CG2 THR A 49 0.909 -17.911 -7.386 1.00 0.00 C ATOM 0 H THR A 49 -0.198 -16.195 -5.431 1.00 0.00 H new ATOM 0 HA THR A 49 2.688 -16.702 -5.635 1.00 0.00 H new ATOM 0 HB THR A 49 2.292 -16.391 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.145 -15.830 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.619 -18.180 -8.401 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.693 -18.585 -7.042 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.045 -17.994 -6.727 1.00 0.00 H new ATOM 796 N LEU A 50 3.475 -14.340 -6.246 1.00 0.00 N ATOM 797 CA LEU A 50 3.970 -12.969 -6.239 1.00 0.00 C ATOM 798 C LEU A 50 2.926 -12.020 -6.825 1.00 0.00 C ATOM 799 O LEU A 50 2.752 -10.895 -6.349 1.00 0.00 O ATOM 800 CB LEU A 50 5.266 -12.878 -7.056 1.00 0.00 C ATOM 801 CG LEU A 50 5.122 -13.693 -8.377 1.00 0.00 C ATOM 802 CD1 LEU A 50 5.730 -12.913 -9.551 1.00 0.00 C ATOM 803 CD2 LEU A 50 5.838 -15.049 -8.248 1.00 0.00 C ATOM 0 H LEU A 50 4.160 -15.037 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 50 4.170 -12.678 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.489 -11.836 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.102 -13.262 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 50 4.061 -13.860 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.623 -13.493 -10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.212 -11.960 -9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.787 -12.731 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.729 -15.608 -9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.896 -14.884 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.396 -15.617 -7.429 1.00 0.00 H new ATOM 815 N ASP A 51 2.227 -12.478 -7.851 1.00 0.00 N ATOM 816 CA ASP A 51 1.209 -11.656 -8.488 1.00 0.00 C ATOM 817 C ASP A 51 0.125 -11.281 -7.478 1.00 0.00 C ATOM 818 O ASP A 51 -0.316 -10.129 -7.415 1.00 0.00 O ATOM 819 CB ASP A 51 0.582 -12.424 -9.652 1.00 0.00 C ATOM 820 CG ASP A 51 1.578 -12.538 -10.801 1.00 0.00 C ATOM 821 OD1 ASP A 51 2.566 -11.822 -10.777 1.00 0.00 O ATOM 822 OD2 ASP A 51 1.339 -13.339 -11.690 1.00 0.00 O ATOM 0 H ASP A 51 2.343 -13.406 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 51 1.675 -10.744 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.281 -13.418 -9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.320 -11.914 -9.991 1.00 0.00 H new ATOM 827 N GLU A 52 -0.291 -12.259 -6.680 1.00 0.00 N ATOM 828 CA GLU A 52 -1.315 -12.020 -5.675 1.00 0.00 C ATOM 829 C GLU A 52 -0.803 -11.056 -4.613 1.00 0.00 C ATOM 830 O GLU A 52 -1.559 -10.233 -4.094 1.00 0.00 O ATOM 831 CB GLU A 52 -1.732 -13.337 -5.015 1.00 0.00 C ATOM 832 CG GLU A 52 -2.460 -14.211 -6.040 1.00 0.00 C ATOM 833 CD GLU A 52 -2.938 -15.496 -5.377 1.00 0.00 C ATOM 834 OE1 GLU A 52 -2.868 -15.572 -4.162 1.00 0.00 O ATOM 835 OE2 GLU A 52 -3.367 -16.386 -6.094 1.00 0.00 O ATOM 0 H GLU A 52 0.063 -13.215 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.181 -11.578 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.855 -13.859 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.382 -13.140 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.309 -13.668 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.794 -14.446 -6.870 1.00 0.00 H new ATOM 842 N LEU A 53 0.485 -11.154 -4.295 1.00 0.00 N ATOM 843 CA LEU A 53 1.075 -10.275 -3.296 1.00 0.00 C ATOM 844 C LEU A 53 0.973 -8.823 -3.739 1.00 0.00 C ATOM 845 O LEU A 53 0.562 -7.959 -2.968 1.00 0.00 O ATOM 846 CB LEU A 53 2.551 -10.654 -3.077 1.00 0.00 C ATOM 847 CG LEU A 53 2.657 -11.802 -2.064 1.00 0.00 C ATOM 848 CD1 LEU A 53 4.100 -12.323 -2.044 1.00 0.00 C ATOM 849 CD2 LEU A 53 2.241 -11.314 -0.653 1.00 0.00 C ATOM 0 H LEU A 53 1.131 -11.825 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 53 0.530 -10.392 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.002 -10.951 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.107 -9.788 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 53 1.985 -12.608 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.182 -13.139 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.370 -12.684 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.774 -11.517 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.321 -12.139 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.898 -10.502 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.211 -10.958 -0.680 1.00 0.00 H new ATOM 861 N LEU A 54 1.327 -8.557 -4.983 1.00 0.00 N ATOM 862 CA LEU A 54 1.250 -7.197 -5.490 1.00 0.00 C ATOM 863 C LEU A 54 -0.194 -6.713 -5.498 1.00 0.00 C ATOM 864 O LEU A 54 -0.481 -5.569 -5.145 1.00 0.00 O ATOM 865 CB LEU A 54 1.849 -7.130 -6.903 1.00 0.00 C ATOM 866 CG LEU A 54 3.356 -6.854 -6.837 1.00 0.00 C ATOM 867 CD1 LEU A 54 4.059 -7.960 -6.052 1.00 0.00 C ATOM 868 CD2 LEU A 54 3.916 -6.804 -8.260 1.00 0.00 C ATOM 0 H LEU A 54 1.665 -9.250 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 54 1.825 -6.543 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.668 -8.069 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.355 -6.346 -7.477 1.00 0.00 H new ATOM 0 HG LEU A 54 3.527 -5.902 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.129 -7.754 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.658 -7.998 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.893 -8.918 -6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.988 -6.608 -8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.739 -7.759 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.421 -6.009 -8.818 1.00 0.00 H new ATOM 880 N ASP A 55 -1.097 -7.588 -5.904 1.00 0.00 N ATOM 881 CA ASP A 55 -2.503 -7.230 -5.952 1.00 0.00 C ATOM 882 C ASP A 55 -3.026 -6.912 -4.555 1.00 0.00 C ATOM 883 O ASP A 55 -3.763 -5.946 -4.363 1.00 0.00 O ATOM 884 CB ASP A 55 -3.308 -8.378 -6.553 1.00 0.00 C ATOM 885 CG ASP A 55 -4.789 -8.019 -6.590 1.00 0.00 C ATOM 886 OD1 ASP A 55 -5.128 -7.048 -7.247 1.00 0.00 O ATOM 887 OD2 ASP A 55 -5.564 -8.720 -5.960 1.00 0.00 O ATOM 0 H ASP A 55 -0.886 -8.540 -6.202 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.613 -6.342 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.953 -8.592 -7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.160 -9.283 -5.964 1.00 0.00 H new ATOM 892 N VAL A 56 -2.642 -7.735 -3.578 1.00 0.00 N ATOM 893 CA VAL A 56 -3.079 -7.531 -2.204 1.00 0.00 C ATOM 894 C VAL A 56 -2.426 -6.294 -1.603 1.00 0.00 C ATOM 895 O VAL A 56 -3.082 -5.489 -0.946 1.00 0.00 O ATOM 896 CB VAL A 56 -2.742 -8.763 -1.361 1.00 0.00 C ATOM 897 CG1 VAL A 56 -3.028 -8.473 0.115 1.00 0.00 C ATOM 898 CG2 VAL A 56 -3.600 -9.945 -1.823 1.00 0.00 C ATOM 0 H VAL A 56 -2.034 -8.542 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.159 -7.380 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.686 -9.006 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.787 -9.353 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.418 -7.632 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.083 -8.228 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.362 -10.824 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.655 -9.698 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.395 -10.155 -2.873 1.00 0.00 H new ATOM 908 N VAL A 57 -1.122 -6.166 -1.808 1.00 0.00 N ATOM 909 CA VAL A 57 -0.392 -5.039 -1.253 1.00 0.00 C ATOM 910 C VAL A 57 -0.994 -3.733 -1.756 1.00 0.00 C ATOM 911 O VAL A 57 -1.274 -2.819 -0.972 1.00 0.00 O ATOM 912 CB VAL A 57 1.084 -5.131 -1.678 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.816 -3.831 -1.317 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.759 -6.325 -0.978 1.00 0.00 C ATOM 0 H VAL A 57 -0.556 -6.820 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.460 -5.063 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 57 1.133 -5.278 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.860 -3.905 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.346 -2.994 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.762 -3.670 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.804 -6.383 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.704 -6.192 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.248 -7.246 -1.256 1.00 0.00 H new ATOM 924 N LEU A 58 -1.209 -3.650 -3.057 1.00 0.00 N ATOM 925 CA LEU A 58 -1.789 -2.446 -3.620 1.00 0.00 C ATOM 926 C LEU A 58 -3.200 -2.246 -3.080 1.00 0.00 C ATOM 927 O LEU A 58 -3.529 -1.185 -2.551 1.00 0.00 O ATOM 928 CB LEU A 58 -1.821 -2.557 -5.150 1.00 0.00 C ATOM 929 CG LEU A 58 -2.463 -1.296 -5.758 1.00 0.00 C ATOM 930 CD1 LEU A 58 -1.677 -0.041 -5.336 1.00 0.00 C ATOM 931 CD2 LEU A 58 -2.466 -1.420 -7.288 1.00 0.00 C ATOM 0 H LEU A 58 -0.996 -4.386 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.180 -1.587 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.809 -2.681 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.385 -3.441 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.487 -1.203 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.141 0.843 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.684 0.045 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.648 -0.121 -5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.919 -0.530 -7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.442 -1.518 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.039 -2.300 -7.581 1.00 0.00 H new ATOM 943 N ASP A 59 -4.027 -3.271 -3.223 1.00 0.00 N ATOM 944 CA ASP A 59 -5.404 -3.195 -2.760 1.00 0.00 C ATOM 945 C ASP A 59 -5.439 -2.689 -1.323 1.00 0.00 C ATOM 946 O ASP A 59 -6.263 -1.843 -0.963 1.00 0.00 O ATOM 947 CB ASP A 59 -6.065 -4.574 -2.845 1.00 0.00 C ATOM 948 CG ASP A 59 -6.335 -4.944 -4.303 1.00 0.00 C ATOM 949 OD1 ASP A 59 -6.210 -4.074 -5.150 1.00 0.00 O ATOM 950 OD2 ASP A 59 -6.664 -6.093 -4.550 1.00 0.00 O ATOM 0 H ASP A 59 -3.771 -4.160 -3.653 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.954 -2.501 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.420 -5.323 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.000 -4.572 -2.284 1.00 0.00 H new ATOM 955 N ALA A 60 -4.525 -3.204 -0.511 1.00 0.00 N ATOM 956 CA ALA A 60 -4.439 -2.789 0.880 1.00 0.00 C ATOM 957 C ALA A 60 -4.244 -1.280 0.961 1.00 0.00 C ATOM 958 O ALA A 60 -4.954 -0.583 1.694 1.00 0.00 O ATOM 959 CB ALA A 60 -3.264 -3.499 1.565 1.00 0.00 C ATOM 0 H ALA A 60 -3.838 -3.905 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.366 -3.058 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.205 -3.183 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.415 -4.578 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.336 -3.241 1.055 1.00 0.00 H new ATOM 965 N VAL A 61 -3.278 -0.772 0.198 1.00 0.00 N ATOM 966 CA VAL A 61 -3.012 0.661 0.201 1.00 0.00 C ATOM 967 C VAL A 61 -4.241 1.428 -0.285 1.00 0.00 C ATOM 968 O VAL A 61 -4.671 2.398 0.345 1.00 0.00 O ATOM 969 CB VAL A 61 -1.818 0.974 -0.706 1.00 0.00 C ATOM 970 CG1 VAL A 61 -1.624 2.489 -0.816 1.00 0.00 C ATOM 971 CG2 VAL A 61 -0.555 0.342 -0.116 1.00 0.00 C ATOM 0 H VAL A 61 -2.678 -1.320 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.780 0.970 1.220 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.007 0.566 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.773 2.701 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.522 2.941 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.439 2.905 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.297 0.563 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.374 0.750 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.687 -0.738 -0.047 1.00 0.00 H new ATOM 981 N GLU A 62 -4.807 0.979 -1.403 1.00 0.00 N ATOM 982 CA GLU A 62 -5.987 1.632 -1.962 1.00 0.00 C ATOM 983 C GLU A 62 -7.003 1.923 -0.865 1.00 0.00 C ATOM 984 O GLU A 62 -7.449 3.055 -0.689 1.00 0.00 O ATOM 985 CB GLU A 62 -6.628 0.729 -3.017 1.00 0.00 C ATOM 986 CG GLU A 62 -5.683 0.582 -4.205 1.00 0.00 C ATOM 987 CD GLU A 62 -5.597 1.894 -4.982 1.00 0.00 C ATOM 988 OE1 GLU A 62 -6.407 2.085 -5.875 1.00 0.00 O ATOM 989 OE2 GLU A 62 -4.721 2.687 -4.675 1.00 0.00 O ATOM 0 H GLU A 62 -4.472 0.175 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.679 2.572 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.846 -0.250 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.578 1.152 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.692 0.293 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.034 -0.214 -4.861 1.00 0.00 H new ATOM 996 N SER A 63 -7.359 0.897 -0.113 1.00 0.00 N ATOM 997 CA SER A 63 -8.318 1.071 0.966 1.00 0.00 C ATOM 998 C SER A 63 -7.805 2.078 1.989 1.00 0.00 C ATOM 999 O SER A 63 -8.553 2.935 2.458 1.00 0.00 O ATOM 1000 CB SER A 63 -8.567 -0.264 1.648 1.00 0.00 C ATOM 1001 OG SER A 63 -9.220 -0.043 2.892 1.00 0.00 O ATOM 0 H SER A 63 -7.005 -0.053 -0.226 1.00 0.00 H new ATOM 0 HA SER A 63 -9.249 1.449 0.543 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.180 -0.902 1.011 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.623 -0.785 1.807 1.00 0.00 H new ATOM 0 HG SER A 63 -9.383 -0.903 3.333 1.00 0.00 H new ATOM 1007 N THR A 64 -6.525 1.967 2.336 1.00 0.00 N ATOM 1008 CA THR A 64 -5.930 2.872 3.317 1.00 0.00 C ATOM 1009 C THR A 64 -5.433 4.150 2.654 1.00 0.00 C ATOM 1010 O THR A 64 -4.672 4.910 3.253 1.00 0.00 O ATOM 1011 CB THR A 64 -4.769 2.188 4.030 1.00 0.00 C ATOM 1012 OG1 THR A 64 -3.726 1.942 3.102 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.252 0.867 4.627 1.00 0.00 C ATOM 0 H THR A 64 -5.886 1.268 1.958 1.00 0.00 H new ATOM 0 HA THR A 64 -6.702 3.132 4.042 1.00 0.00 H new ATOM 0 HB THR A 64 -4.396 2.831 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.055 2.096 2.192 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.425 0.375 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.054 1.061 5.339 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.622 0.222 3.831 1.00 0.00 H new ATOM 1021 N LEU A 65 -5.864 4.376 1.416 1.00 0.00 N ATOM 1022 CA LEU A 65 -5.478 5.575 0.671 1.00 0.00 C ATOM 1023 C LEU A 65 -6.452 6.722 0.971 1.00 0.00 C ATOM 1024 O LEU A 65 -6.118 7.897 0.813 1.00 0.00 O ATOM 1025 CB LEU A 65 -5.452 5.255 -0.846 1.00 0.00 C ATOM 1026 CG LEU A 65 -6.775 5.689 -1.549 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -6.803 7.227 -1.788 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -6.946 4.929 -2.893 1.00 0.00 C ATOM 0 H LEU A 65 -6.482 3.745 0.905 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.481 5.889 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.608 5.765 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.297 4.186 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.607 5.434 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.736 7.502 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.730 7.745 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.962 7.512 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.874 5.242 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.105 5.155 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.980 3.856 -2.703 1.00 0.00 H new ATOM 1040 N SER A 66 -7.670 6.363 1.386 1.00 0.00 N ATOM 1041 CA SER A 66 -8.697 7.361 1.675 1.00 0.00 C ATOM 1042 C SER A 66 -8.094 8.553 2.417 1.00 0.00 C ATOM 1043 O SER A 66 -8.305 9.702 2.032 1.00 0.00 O ATOM 1044 CB SER A 66 -9.855 6.731 2.485 1.00 0.00 C ATOM 1045 OG SER A 66 -9.557 5.363 2.729 1.00 0.00 O ATOM 0 H SER A 66 -7.965 5.397 1.528 1.00 0.00 H new ATOM 0 HA SER A 66 -9.104 7.722 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.987 7.262 3.428 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.792 6.820 1.935 1.00 0.00 H new ATOM 0 HG SER A 66 -10.285 4.956 3.243 1.00 0.00 H new ATOM 1051 N PRO A 67 -7.352 8.299 3.466 1.00 0.00 N ATOM 1052 CA PRO A 67 -6.715 9.382 4.268 1.00 0.00 C ATOM 1053 C PRO A 67 -5.891 10.337 3.400 1.00 0.00 C ATOM 1054 O PRO A 67 -5.902 11.550 3.614 1.00 0.00 O ATOM 1055 CB PRO A 67 -5.819 8.615 5.259 1.00 0.00 C ATOM 1056 CG PRO A 67 -6.436 7.258 5.377 1.00 0.00 C ATOM 1057 CD PRO A 67 -7.034 6.962 4.005 1.00 0.00 C ATOM 0 HA PRO A 67 -7.450 10.020 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.794 8.551 4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.783 9.116 6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.691 6.511 5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.203 7.241 6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.328 6.430 3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.925 6.339 4.083 1.00 0.00 H new ATOM 1065 N CYS A 68 -5.179 9.780 2.422 1.00 0.00 N ATOM 1066 CA CYS A 68 -4.350 10.589 1.536 1.00 0.00 C ATOM 1067 C CYS A 68 -5.218 11.470 0.646 1.00 0.00 C ATOM 1068 O CYS A 68 -4.845 12.596 0.315 1.00 0.00 O ATOM 1069 CB CYS A 68 -3.470 9.683 0.668 1.00 0.00 C ATOM 1070 SG CYS A 68 -2.336 8.765 1.736 1.00 0.00 S ATOM 0 H CYS A 68 -5.160 8.779 2.225 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.714 11.229 2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.090 8.993 0.095 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.909 10.280 -0.051 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.517 9.593 2.313 1.00 0.00 H new ATOM 1076 N LYS A 69 -6.380 10.950 0.266 1.00 0.00 N ATOM 1077 CA LYS A 69 -7.299 11.693 -0.586 1.00 0.00 C ATOM 1078 C LYS A 69 -7.739 12.982 0.099 1.00 0.00 C ATOM 1079 O LYS A 69 -8.025 13.979 -0.561 1.00 0.00 O ATOM 1080 CB LYS A 69 -8.528 10.841 -0.905 1.00 0.00 C ATOM 1081 CG LYS A 69 -9.408 11.571 -1.920 1.00 0.00 C ATOM 1082 CD LYS A 69 -10.614 10.699 -2.275 1.00 0.00 C ATOM 1083 CE LYS A 69 -11.506 11.439 -3.274 1.00 0.00 C ATOM 1084 NZ LYS A 69 -10.890 11.385 -4.629 1.00 0.00 N ATOM 0 H LYS A 69 -6.706 10.021 0.533 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.781 11.942 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.220 9.875 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.093 10.644 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.743 12.523 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.833 11.798 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.279 9.754 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.180 10.459 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.498 10.987 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.635 12.476 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.557 11.767 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.018 11.951 -4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.664 10.398 -4.869 1.00 0.00 H new ATOM 1098 N GLU A 70 -7.794 12.952 1.427 1.00 0.00 N ATOM 1099 CA GLU A 70 -8.206 14.123 2.189 1.00 0.00 C ATOM 1100 C GLU A 70 -7.111 15.186 2.168 1.00 0.00 C ATOM 1101 O GLU A 70 -7.398 16.383 2.168 1.00 0.00 O ATOM 1102 CB GLU A 70 -8.503 13.727 3.637 1.00 0.00 C ATOM 1103 CG GLU A 70 -9.743 12.838 3.678 1.00 0.00 C ATOM 1104 CD GLU A 70 -10.005 12.374 5.106 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -9.244 12.753 5.980 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -10.965 11.647 5.306 1.00 0.00 O ATOM 0 H GLU A 70 -7.560 12.136 1.993 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.107 14.532 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.650 13.199 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.662 14.619 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.606 13.386 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.604 11.975 3.026 1.00 0.00 H new ATOM 1113 N HIS A 71 -5.856 14.742 2.146 1.00 0.00 N ATOM 1114 CA HIS A 71 -4.722 15.666 2.117 1.00 0.00 C ATOM 1115 C HIS A 71 -4.231 15.853 0.687 1.00 0.00 C ATOM 1116 O HIS A 71 -3.803 14.900 0.040 1.00 0.00 O ATOM 1117 CB HIS A 71 -3.583 15.122 2.981 1.00 0.00 C ATOM 1118 CG HIS A 71 -4.020 15.091 4.419 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -4.129 16.245 5.182 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -4.378 14.060 5.249 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -4.538 15.881 6.410 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -4.705 14.560 6.506 1.00 0.00 N ATOM 0 H HIS A 71 -5.599 13.755 2.148 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.047 16.629 2.511 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.308 14.120 2.651 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.698 15.748 2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.403 13.017 4.969 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.711 16.573 7.221 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.007 14.031 7.324 1.00 0.00 H new ATOM 1130 N ASP A 72 -4.300 17.089 0.202 1.00 0.00 N ATOM 1131 CA ASP A 72 -3.858 17.392 -1.154 1.00 0.00 C ATOM 1132 C ASP A 72 -2.345 17.249 -1.275 1.00 0.00 C ATOM 1133 O ASP A 72 -1.831 16.828 -2.312 1.00 0.00 O ATOM 1134 CB ASP A 72 -4.265 18.817 -1.530 1.00 0.00 C ATOM 1135 CG ASP A 72 -3.721 19.802 -0.502 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -3.170 19.349 0.488 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -3.858 20.995 -0.722 1.00 0.00 O ATOM 0 H ASP A 72 -4.655 17.891 0.723 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.333 16.684 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.883 19.064 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.351 18.893 -1.579 1.00 0.00 H new ATOM 1142 N VAL A 73 -1.633 17.607 -0.210 1.00 0.00 N ATOM 1143 CA VAL A 73 -0.177 17.519 -0.218 1.00 0.00 C ATOM 1144 C VAL A 73 0.273 16.075 -0.417 1.00 0.00 C ATOM 1145 O VAL A 73 1.142 15.796 -1.243 1.00 0.00 O ATOM 1146 CB VAL A 73 0.381 18.049 1.107 1.00 0.00 C ATOM 1147 CG1 VAL A 73 1.889 17.786 1.184 1.00 0.00 C ATOM 1148 CG2 VAL A 73 0.125 19.554 1.206 1.00 0.00 C ATOM 0 H VAL A 73 -2.035 17.957 0.660 1.00 0.00 H new ATOM 0 HA VAL A 73 0.201 18.122 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.116 17.537 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.277 18.166 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.075 16.714 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.389 18.291 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.522 19.929 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.617 20.062 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.947 19.744 1.163 1.00 0.00 H new ATOM 1158 N ILE A 74 -0.320 15.162 0.347 1.00 0.00 N ATOM 1159 CA ILE A 74 0.031 13.748 0.248 1.00 0.00 C ATOM 1160 C ILE A 74 -0.822 13.062 -0.813 1.00 0.00 C ATOM 1161 O ILE A 74 -0.366 12.143 -1.489 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.175 13.060 1.597 1.00 0.00 C ATOM 1163 CG1 ILE A 74 0.595 13.827 2.674 1.00 0.00 C ATOM 1164 CG2 ILE A 74 0.358 11.626 1.523 1.00 0.00 C ATOM 1165 CD1 ILE A 74 0.270 13.239 4.049 1.00 0.00 C ATOM 0 H ILE A 74 -1.041 15.373 1.037 1.00 0.00 H new ATOM 0 HA ILE A 74 1.080 13.672 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.237 13.044 1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.667 13.765 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.327 14.883 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.212 11.134 2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.179 11.078 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.421 11.645 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.818 13.785 4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.800 13.324 4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.560 12.189 4.073 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.068 13.509 -0.942 1.00 0.00 N ATOM 1178 CA GLY A 75 -2.988 12.927 -1.919 1.00 0.00 C ATOM 1179 C GLY A 75 -2.273 12.617 -3.232 1.00 0.00 C ATOM 1180 O GLY A 75 -2.730 11.787 -4.018 1.00 0.00 O ATOM 0 H GLY A 75 -2.464 14.268 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.423 12.013 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.811 13.617 -2.104 1.00 0.00 H new ATOM 1184 N THR A 76 -1.150 13.289 -3.457 1.00 0.00 N ATOM 1185 CA THR A 76 -0.373 13.084 -4.677 1.00 0.00 C ATOM 1186 C THR A 76 -0.028 11.607 -4.849 1.00 0.00 C ATOM 1187 O THR A 76 0.111 11.111 -5.971 1.00 0.00 O ATOM 1188 CB THR A 76 0.917 13.906 -4.607 1.00 0.00 C ATOM 1189 OG1 THR A 76 1.630 13.569 -3.424 1.00 0.00 O ATOM 1190 CG2 THR A 76 0.584 15.397 -4.593 1.00 0.00 C ATOM 0 H THR A 76 -0.757 13.978 -2.815 1.00 0.00 H new ATOM 0 HA THR A 76 -0.969 13.407 -5.531 1.00 0.00 H new ATOM 0 HB THR A 76 1.531 13.684 -5.480 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.456 14.243 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.507 15.975 -4.543 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.041 15.657 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.034 15.624 -3.724 1.00 0.00 H new ATOM 1198 N LYS A 77 0.103 10.907 -3.735 1.00 0.00 N ATOM 1199 CA LYS A 77 0.424 9.494 -3.774 1.00 0.00 C ATOM 1200 C LYS A 77 -0.614 8.731 -4.591 1.00 0.00 C ATOM 1201 O LYS A 77 -0.295 7.741 -5.246 1.00 0.00 O ATOM 1202 CB LYS A 77 0.472 8.936 -2.351 1.00 0.00 C ATOM 1203 CG LYS A 77 -0.932 9.022 -1.693 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.612 7.643 -1.699 1.00 0.00 C ATOM 1205 CE LYS A 77 -0.972 6.717 -0.650 1.00 0.00 C ATOM 1206 NZ LYS A 77 -1.954 5.673 -0.261 1.00 0.00 N ATOM 0 H LYS A 77 -0.008 11.293 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 77 1.399 9.371 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.810 7.900 -2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.195 9.496 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.839 9.384 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.549 9.741 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.676 7.756 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.526 7.194 -2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.072 6.255 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.668 7.292 0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.547 5.074 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.820 6.126 0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.184 5.087 -1.089 1.00 0.00 H new ATOM 1220 N VAL A 78 -1.859 9.197 -4.543 1.00 0.00 N ATOM 1221 CA VAL A 78 -2.933 8.548 -5.283 1.00 0.00 C ATOM 1222 C VAL A 78 -2.653 8.598 -6.781 1.00 0.00 C ATOM 1223 O VAL A 78 -2.787 7.596 -7.484 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.266 9.243 -4.984 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -5.372 8.631 -5.849 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -4.614 9.058 -3.506 1.00 0.00 C ATOM 0 H VAL A 78 -2.146 10.014 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.990 7.505 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.179 10.306 -5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.318 9.127 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.125 8.762 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.461 7.568 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.562 9.552 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.700 7.995 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.829 9.496 -2.890 1.00 0.00 H new ATOM 1236 N CYS A 79 -2.257 9.771 -7.259 1.00 0.00 N ATOM 1237 CA CYS A 79 -1.956 9.941 -8.672 1.00 0.00 C ATOM 1238 C CYS A 79 -0.769 9.071 -9.064 1.00 0.00 C ATOM 1239 O CYS A 79 -0.746 8.482 -10.146 1.00 0.00 O ATOM 1240 CB CYS A 79 -1.639 11.408 -8.970 1.00 0.00 C ATOM 1241 SG CYS A 79 -3.126 12.409 -8.714 1.00 0.00 S ATOM 0 H CYS A 79 -2.138 10.611 -6.693 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.828 9.638 -9.252 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.836 11.757 -8.321 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.288 11.514 -9.996 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.858 13.656 -8.965 1.00 0.00 H new ATOM 1247 N ALA A 80 0.219 8.990 -8.178 1.00 0.00 N ATOM 1248 CA ALA A 80 1.402 8.180 -8.449 1.00 0.00 C ATOM 1249 C ALA A 80 1.026 6.707 -8.591 1.00 0.00 C ATOM 1250 O ALA A 80 1.497 6.016 -9.497 1.00 0.00 O ATOM 1251 CB ALA A 80 2.415 8.344 -7.314 1.00 0.00 C ATOM 0 H ALA A 80 0.225 9.469 -7.277 1.00 0.00 H new ATOM 0 HA ALA A 80 1.845 8.519 -9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.296 7.737 -7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.706 9.391 -7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.965 8.021 -6.375 1.00 0.00 H new ATOM 1257 N LEU A 81 0.171 6.232 -7.693 1.00 0.00 N ATOM 1258 CA LEU A 81 -0.264 4.842 -7.726 1.00 0.00 C ATOM 1259 C LEU A 81 -1.019 4.553 -9.015 1.00 0.00 C ATOM 1260 O LEU A 81 -0.835 3.504 -9.631 1.00 0.00 O ATOM 1261 CB LEU A 81 -1.161 4.546 -6.521 1.00 0.00 C ATOM 1262 CG LEU A 81 -0.323 4.563 -5.231 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -1.264 4.575 -4.021 1.00 0.00 C ATOM 1264 CD2 LEU A 81 0.600 3.326 -5.158 1.00 0.00 C ATOM 0 H LEU A 81 -0.233 6.786 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 81 0.616 4.201 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.957 5.288 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.639 3.574 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 81 0.301 5.457 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.676 4.587 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.895 5.463 -4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.891 3.683 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.182 3.360 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.005 2.419 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.275 3.324 -6.014 1.00 0.00 H new ATOM 1276 N LEU A 82 -1.865 5.490 -9.419 1.00 0.00 N ATOM 1277 CA LEU A 82 -2.635 5.320 -10.644 1.00 0.00 C ATOM 1278 C LEU A 82 -1.709 5.225 -11.849 1.00 0.00 C ATOM 1279 O LEU A 82 -1.918 4.402 -12.743 1.00 0.00 O ATOM 1280 CB LEU A 82 -3.595 6.496 -10.819 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.711 6.415 -9.765 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -5.517 7.719 -9.783 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -5.644 5.212 -10.046 1.00 0.00 C ATOM 0 H LEU A 82 -2.035 6.366 -8.924 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.206 4.395 -10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.054 7.437 -10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.025 6.481 -11.820 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.261 6.274 -8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.310 7.667 -9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.858 8.557 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.956 7.862 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.426 5.174 -9.288 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.098 5.326 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.066 4.289 -10.017 1.00 0.00 H new ATOM 1295 N ASP A 83 -0.685 6.067 -11.868 1.00 0.00 N ATOM 1296 CA ASP A 83 0.263 6.064 -12.972 1.00 0.00 C ATOM 1297 C ASP A 83 0.981 4.720 -13.058 1.00 0.00 C ATOM 1298 O ASP A 83 1.158 4.174 -14.140 1.00 0.00 O ATOM 1299 CB ASP A 83 1.289 7.183 -12.781 1.00 0.00 C ATOM 1300 CG ASP A 83 2.097 7.374 -14.059 1.00 0.00 C ATOM 1301 OD1 ASP A 83 1.582 7.047 -15.116 1.00 0.00 O ATOM 1302 OD2 ASP A 83 3.220 7.843 -13.963 1.00 0.00 O ATOM 0 H ASP A 83 -0.491 6.754 -11.139 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.286 6.229 -13.899 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.782 8.112 -12.520 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.955 6.939 -11.953 1.00 0.00 H new ATOM 1307 N ARG A 84 1.387 4.195 -11.907 1.00 0.00 N ATOM 1308 CA ARG A 84 2.078 2.910 -11.858 1.00 0.00 C ATOM 1309 C ARG A 84 1.125 1.779 -12.208 1.00 0.00 C ATOM 1310 O ARG A 84 1.505 0.813 -12.872 1.00 0.00 O ATOM 1311 CB ARG A 84 2.652 2.693 -10.453 1.00 0.00 C ATOM 1312 CG ARG A 84 3.631 3.821 -10.101 1.00 0.00 C ATOM 1313 CD ARG A 84 4.998 3.568 -10.747 1.00 0.00 C ATOM 1314 NE ARG A 84 5.943 4.598 -10.324 1.00 0.00 N ATOM 1315 CZ ARG A 84 6.074 5.735 -11.000 1.00 0.00 C ATOM 1316 NH1 ARG A 84 5.337 5.959 -12.053 1.00 0.00 N ATOM 1317 NH2 ARG A 84 6.936 6.628 -10.603 1.00 0.00 N ATOM 0 H ARG A 84 1.251 4.637 -10.998 1.00 0.00 H new ATOM 0 HA ARG A 84 2.889 2.916 -12.587 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.843 2.662 -9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.162 1.731 -10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.232 4.776 -10.443 1.00 0.00 H new ATOM 0 HG3 ARG A 84 3.741 3.890 -9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.368 2.583 -10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.904 3.572 -11.833 1.00 0.00 H new ATOM 0 HE ARG A 84 6.514 4.442 -9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.659 5.261 -12.359 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.439 6.832 -12.570 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.507 6.453 -9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.039 7.502 -11.119 1.00 0.00 H new ATOM 1331 N LEU A 85 -0.113 1.900 -11.757 1.00 0.00 N ATOM 1332 CA LEU A 85 -1.101 0.870 -12.030 1.00 0.00 C ATOM 1333 C LEU A 85 -1.325 0.731 -13.531 1.00 0.00 C ATOM 1334 O LEU A 85 -1.419 -0.379 -14.052 1.00 0.00 O ATOM 1335 CB LEU A 85 -2.427 1.219 -11.342 1.00 0.00 C ATOM 1336 CG LEU A 85 -3.495 0.159 -11.672 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -3.006 -1.238 -11.251 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -4.792 0.500 -10.929 1.00 0.00 C ATOM 0 H LEU A 85 -0.454 2.689 -11.208 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.729 -0.077 -11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.281 1.275 -10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.767 2.202 -11.669 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.677 0.156 -12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.770 -1.978 -11.490 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.088 -1.479 -11.787 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.814 -1.248 -10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.551 -0.248 -11.160 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.605 0.508 -9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.144 1.483 -11.243 1.00 0.00 H new ATOM 1350 N ALA A 86 -1.420 1.866 -14.221 1.00 0.00 N ATOM 1351 CA ALA A 86 -1.643 1.860 -15.666 1.00 0.00 C ATOM 1352 C ALA A 86 -0.328 2.034 -16.410 1.00 0.00 C ATOM 1353 O ALA A 86 -0.260 1.841 -17.626 1.00 0.00 O ATOM 1354 CB ALA A 86 -2.597 2.999 -16.047 1.00 0.00 C ATOM 0 H ALA A 86 -1.347 2.795 -13.807 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.083 0.902 -15.945 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.761 2.991 -17.125 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.549 2.863 -15.534 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.160 3.953 -15.753 1.00 0.00 H new ATOM 1360 N GLY A 87 0.717 2.406 -15.673 1.00 0.00 N ATOM 1361 CA GLY A 87 2.041 2.619 -16.258 1.00 0.00 C ATOM 1362 C GLY A 87 3.066 1.685 -15.640 1.00 0.00 C ATOM 1363 O GLY A 87 4.075 2.135 -15.097 1.00 0.00 O ATOM 0 H GLY A 87 0.673 2.567 -14.667 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.997 2.455 -17.335 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.348 3.654 -16.105 1.00 0.00 H new ATOM 1367 N ASP A 88 2.798 0.389 -15.729 1.00 0.00 N ATOM 1368 CA ASP A 88 3.702 -0.622 -15.188 1.00 0.00 C ATOM 1369 C ASP A 88 3.814 -0.483 -13.677 1.00 0.00 C ATOM 1370 O ASP A 88 4.557 0.358 -13.169 1.00 0.00 O ATOM 1371 CB ASP A 88 5.088 -0.492 -15.821 1.00 0.00 C ATOM 1372 CG ASP A 88 4.984 -0.593 -17.340 1.00 0.00 C ATOM 1373 OD1 ASP A 88 4.049 -1.219 -17.810 1.00 0.00 O ATOM 1374 OD2 ASP A 88 5.840 -0.039 -18.010 1.00 0.00 O ATOM 0 H ASP A 88 1.960 0.011 -16.171 1.00 0.00 H new ATOM 0 HA ASP A 88 3.294 -1.605 -15.424 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.535 0.462 -15.542 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.744 -1.275 -15.441 1.00 0.00 H new ATOM 1379 N TYR A 89 3.065 -1.314 -12.967 1.00 0.00 N ATOM 1380 CA TYR A 89 3.070 -1.288 -11.510 1.00 0.00 C ATOM 1381 C TYR A 89 4.496 -1.453 -10.981 1.00 0.00 C ATOM 1382 O TYR A 89 5.274 -0.499 -10.954 1.00 0.00 O ATOM 1383 CB TYR A 89 2.139 -2.391 -10.946 1.00 0.00 C ATOM 1384 CG TYR A 89 2.057 -3.542 -11.923 1.00 0.00 C ATOM 1385 CD1 TYR A 89 1.283 -3.409 -13.079 1.00 0.00 C ATOM 1386 CD2 TYR A 89 2.762 -4.734 -11.689 1.00 0.00 C ATOM 1387 CE1 TYR A 89 1.207 -4.454 -14.000 1.00 0.00 C ATOM 1388 CE2 TYR A 89 2.686 -5.780 -12.614 1.00 0.00 C ATOM 1389 CZ TYR A 89 1.910 -5.640 -13.769 1.00 0.00 C ATOM 1390 OH TYR A 89 1.836 -6.671 -14.679 1.00 0.00 O ATOM 0 H TYR A 89 2.446 -2.015 -13.375 1.00 0.00 H new ATOM 0 HA TYR A 89 2.692 -0.322 -11.175 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.517 -2.743 -9.986 1.00 0.00 H new ATOM 0 HB3 TYR A 89 1.144 -1.983 -10.766 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.741 -2.493 -13.260 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.361 -4.842 -10.797 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.606 -4.347 -14.891 1.00 0.00 H new ATOM 0 HE2 TYR A 89 3.227 -6.697 -12.436 1.00 0.00 H new ATOM 0 HH TYR A 89 2.384 -7.422 -14.368 1.00 0.00 H new ATOM 1400 N VAL A 90 4.825 -2.668 -10.563 1.00 0.00 N ATOM 1401 CA VAL A 90 6.149 -2.965 -10.035 1.00 0.00 C ATOM 1402 C VAL A 90 6.515 -4.420 -10.320 1.00 0.00 C ATOM 1403 O VAL A 90 5.649 -5.244 -10.605 1.00 0.00 O ATOM 1404 CB VAL A 90 6.178 -2.709 -8.531 1.00 0.00 C ATOM 1405 CG1 VAL A 90 5.951 -1.220 -8.269 1.00 0.00 C ATOM 1406 CG2 VAL A 90 5.078 -3.523 -7.849 1.00 0.00 C ATOM 0 H VAL A 90 4.190 -3.466 -10.580 1.00 0.00 H new ATOM 0 HA VAL A 90 6.876 -2.316 -10.523 1.00 0.00 H new ATOM 0 HB VAL A 90 7.146 -3.008 -8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.971 -1.032 -7.195 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.738 -0.641 -8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.982 -0.923 -8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.101 -3.338 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.107 -3.228 -8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.240 -4.584 -8.038 1.00 0.00 H new ATOM 1416 N TYR A 91 7.807 -4.728 -10.231 1.00 0.00 N ATOM 1417 CA TYR A 91 8.284 -6.088 -10.472 1.00 0.00 C ATOM 1418 C TYR A 91 8.895 -6.653 -9.202 1.00 0.00 C ATOM 1419 O TYR A 91 9.593 -5.949 -8.471 1.00 0.00 O ATOM 1420 CB TYR A 91 9.335 -6.088 -11.576 1.00 0.00 C ATOM 1421 CG TYR A 91 8.753 -5.459 -12.822 1.00 0.00 C ATOM 1422 CD1 TYR A 91 7.647 -6.045 -13.453 1.00 0.00 C ATOM 1423 CD2 TYR A 91 9.315 -4.286 -13.342 1.00 0.00 C ATOM 1424 CE1 TYR A 91 7.108 -5.459 -14.603 1.00 0.00 C ATOM 1425 CE2 TYR A 91 8.774 -3.702 -14.491 1.00 0.00 C ATOM 1426 CZ TYR A 91 7.672 -4.287 -15.122 1.00 0.00 C ATOM 1427 OH TYR A 91 7.139 -3.708 -16.255 1.00 0.00 O ATOM 0 H TYR A 91 8.539 -4.058 -9.995 1.00 0.00 H new ATOM 0 HA TYR A 91 7.439 -6.705 -10.778 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.217 -5.535 -11.254 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.658 -7.108 -11.786 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.211 -6.948 -13.052 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.166 -3.833 -12.855 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.257 -5.910 -15.091 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.208 -2.798 -14.892 1.00 0.00 H new ATOM 0 HH TYR A 91 7.648 -2.901 -16.480 1.00 0.00 H new ATOM 1437 N LEU A 92 8.622 -7.929 -8.946 1.00 0.00 N ATOM 1438 CA LEU A 92 9.140 -8.600 -7.753 1.00 0.00 C ATOM 1439 C LEU A 92 10.087 -9.723 -8.136 1.00 0.00 C ATOM 1440 O LEU A 92 9.782 -10.541 -9.004 1.00 0.00 O ATOM 1441 CB LEU A 92 7.980 -9.166 -6.934 1.00 0.00 C ATOM 1442 CG LEU A 92 8.494 -9.698 -5.562 1.00 0.00 C ATOM 1443 CD1 LEU A 92 7.496 -9.340 -4.460 1.00 0.00 C ATOM 1444 CD2 LEU A 92 8.661 -11.226 -5.608 1.00 0.00 C ATOM 0 H LEU A 92 8.046 -8.520 -9.546 1.00 0.00 H new ATOM 0 HA LEU A 92 9.688 -7.870 -7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.228 -8.393 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.496 -9.972 -7.486 1.00 0.00 H new ATOM 0 HG LEU A 92 9.459 -9.236 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.860 -9.714 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.385 -8.257 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.530 -9.793 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.021 -11.582 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.700 -11.690 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.381 -11.490 -6.383 1.00 0.00 H new ATOM 1456 N PHE A 93 11.242 -9.759 -7.476 1.00 0.00 N ATOM 1457 CA PHE A 93 12.241 -10.793 -7.745 1.00 0.00 C ATOM 1458 C PHE A 93 12.900 -11.255 -6.448 1.00 0.00 C ATOM 1459 O PHE A 93 12.947 -10.515 -5.465 1.00 0.00 O ATOM 1460 CB PHE A 93 13.308 -10.248 -8.691 1.00 0.00 C ATOM 1461 CG PHE A 93 12.658 -9.820 -9.987 1.00 0.00 C ATOM 1462 CD1 PHE A 93 12.087 -10.780 -10.832 1.00 0.00 C ATOM 1463 CD2 PHE A 93 12.626 -8.467 -10.346 1.00 0.00 C ATOM 1464 CE1 PHE A 93 11.484 -10.388 -12.031 1.00 0.00 C ATOM 1465 CE2 PHE A 93 12.023 -8.074 -11.546 1.00 0.00 C ATOM 1466 CZ PHE A 93 11.451 -9.034 -12.391 1.00 0.00 C ATOM 0 H PHE A 93 11.510 -9.089 -6.755 1.00 0.00 H new ATOM 0 HA PHE A 93 11.741 -11.644 -8.208 1.00 0.00 H new ATOM 0 HB2 PHE A 93 13.820 -9.402 -8.231 1.00 0.00 H new ATOM 0 HB3 PHE A 93 14.062 -11.011 -8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.113 -11.824 -10.557 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.067 -7.726 -9.696 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.043 -11.130 -12.681 1.00 0.00 H new ATOM 0 HE2 PHE A 93 11.999 -7.030 -11.821 1.00 0.00 H new ATOM 0 HZ PHE A 93 10.986 -8.731 -13.317 1.00 0.00 H new ATOM 1476 N ASP A 94 13.408 -12.484 -6.457 1.00 0.00 N ATOM 1477 CA ASP A 94 14.067 -13.042 -5.279 1.00 0.00 C ATOM 1478 C ASP A 94 15.532 -12.626 -5.238 1.00 0.00 C ATOM 1479 O ASP A 94 15.937 -11.680 -5.916 1.00 0.00 O ATOM 1480 CB ASP A 94 13.974 -14.568 -5.300 1.00 0.00 C ATOM 1481 CG ASP A 94 14.756 -15.125 -6.486 1.00 0.00 C ATOM 1482 OD1 ASP A 94 15.212 -14.333 -7.292 1.00 0.00 O ATOM 1483 OD2 ASP A 94 14.889 -16.336 -6.565 1.00 0.00 O ATOM 0 H ASP A 94 13.377 -13.110 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 94 13.564 -12.658 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 94 14.369 -14.977 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.930 -14.876 -5.366 1.00 0.00 H new ATOM 1488 N GLU A 95 16.323 -13.336 -4.441 1.00 0.00 N ATOM 1489 CA GLU A 95 17.742 -13.029 -4.322 1.00 0.00 C ATOM 1490 C GLU A 95 18.490 -13.457 -5.580 1.00 0.00 C ATOM 1491 O GLU A 95 19.500 -14.157 -5.503 1.00 0.00 O ATOM 1492 CB GLU A 95 18.332 -13.746 -3.104 1.00 0.00 C ATOM 1493 CG GLU A 95 17.753 -13.147 -1.822 1.00 0.00 C ATOM 1494 CD GLU A 95 18.292 -13.899 -0.610 1.00 0.00 C ATOM 1495 OE1 GLU A 95 19.020 -14.856 -0.810 1.00 0.00 O ATOM 1496 OE2 GLU A 95 17.974 -13.505 0.498 1.00 0.00 O ATOM 0 H GLU A 95 16.008 -14.122 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 95 17.852 -11.952 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 95 18.107 -14.811 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.418 -13.649 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.015 -12.091 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 95 16.665 -13.204 -1.842 1.00 0.00 H new ATOM 1503 N GLY A 96 17.991 -13.032 -6.737 1.00 0.00 N ATOM 1504 CA GLY A 96 18.624 -13.376 -8.002 1.00 0.00 C ATOM 1505 C GLY A 96 17.900 -12.718 -9.172 1.00 0.00 C ATOM 1506 O GLY A 96 18.226 -11.600 -9.569 1.00 0.00 O ATOM 0 H GLY A 96 17.156 -12.453 -6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.666 -13.058 -7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.623 -14.458 -8.131 1.00 0.00 H new ATOM 1510 N GLY A 97 16.916 -13.423 -9.715 1.00 0.00 N ATOM 1511 CA GLY A 97 16.146 -12.904 -10.842 1.00 0.00 C ATOM 1512 C GLY A 97 14.832 -13.664 -11.013 1.00 0.00 C ATOM 1513 O GLY A 97 13.846 -13.111 -11.497 1.00 0.00 O ATOM 0 H GLY A 97 16.632 -14.350 -9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.939 -11.845 -10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.736 -12.983 -11.755 1.00 0.00 H new ATOM 1517 N ASP A 98 14.827 -14.933 -10.615 1.00 0.00 N ATOM 1518 CA ASP A 98 13.631 -15.755 -10.733 1.00 0.00 C ATOM 1519 C ASP A 98 12.505 -15.175 -9.884 1.00 0.00 C ATOM 1520 O ASP A 98 12.733 -14.707 -8.769 1.00 0.00 O ATOM 1521 CB ASP A 98 13.942 -17.188 -10.276 1.00 0.00 C ATOM 1522 CG ASP A 98 14.665 -17.951 -11.383 1.00 0.00 C ATOM 1523 OD1 ASP A 98 15.061 -17.318 -12.348 1.00 0.00 O ATOM 1524 OD2 ASP A 98 14.809 -19.154 -11.249 1.00 0.00 O ATOM 0 H ASP A 98 15.633 -15.410 -10.211 1.00 0.00 H new ATOM 0 HA ASP A 98 13.313 -15.768 -11.775 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.559 -17.165 -9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.017 -17.702 -10.014 1.00 0.00 H new ATOM 1529 N GLU A 99 11.292 -15.208 -10.424 1.00 0.00 N ATOM 1530 CA GLU A 99 10.135 -14.682 -9.709 1.00 0.00 C ATOM 1531 C GLU A 99 9.620 -15.702 -8.698 1.00 0.00 C ATOM 1532 O GLU A 99 8.771 -16.534 -9.016 1.00 0.00 O ATOM 1533 CB GLU A 99 9.021 -14.347 -10.700 1.00 0.00 C ATOM 1534 CG GLU A 99 9.446 -13.159 -11.563 1.00 0.00 C ATOM 1535 CD GLU A 99 8.367 -12.853 -12.596 1.00 0.00 C ATOM 1536 OE1 GLU A 99 7.387 -13.578 -12.634 1.00 0.00 O ATOM 1537 OE2 GLU A 99 8.535 -11.894 -13.332 1.00 0.00 O ATOM 0 H GLU A 99 11.085 -15.590 -11.347 1.00 0.00 H new ATOM 0 HA GLU A 99 10.439 -13.780 -9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.809 -15.211 -11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.102 -14.110 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.618 -12.285 -10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.388 -13.381 -12.064 1.00 0.00 H new ATOM 1544 N VAL A 100 10.144 -15.629 -7.475 1.00 0.00 N ATOM 1545 CA VAL A 100 9.733 -16.550 -6.414 1.00 0.00 C ATOM 1546 C VAL A 100 9.768 -15.853 -5.058 1.00 0.00 C ATOM 1547 O VAL A 100 10.689 -15.092 -4.763 1.00 0.00 O ATOM 1548 CB VAL A 100 10.658 -17.766 -6.392 1.00 0.00 C ATOM 1549 CG1 VAL A 100 10.204 -18.728 -5.296 1.00 0.00 C ATOM 1550 CG2 VAL A 100 10.599 -18.472 -7.749 1.00 0.00 C ATOM 0 H VAL A 100 10.849 -14.947 -7.195 1.00 0.00 H new ATOM 0 HA VAL A 100 8.712 -16.876 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 100 11.681 -17.445 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.863 -19.596 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.243 -18.224 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 100 9.182 -19.051 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.258 -19.340 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.577 -18.795 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.920 -17.784 -8.531 1.00 0.00 H new ATOM 1560 N ILE A 101 8.755 -16.112 -4.236 1.00 0.00 N ATOM 1561 CA ILE A 101 8.684 -15.502 -2.916 1.00 0.00 C ATOM 1562 C ILE A 101 9.731 -16.103 -2.001 1.00 0.00 C ATOM 1563 O ILE A 101 9.868 -17.322 -1.917 1.00 0.00 O ATOM 1564 CB ILE A 101 7.295 -15.725 -2.314 1.00 0.00 C ATOM 1565 CG1 ILE A 101 6.249 -14.984 -3.156 1.00 0.00 C ATOM 1566 CG2 ILE A 101 7.264 -15.190 -0.876 1.00 0.00 C ATOM 1567 CD1 ILE A 101 6.078 -15.653 -4.531 1.00 0.00 C ATOM 0 H ILE A 101 7.979 -16.735 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 101 8.871 -14.433 -3.017 1.00 0.00 H new ATOM 0 HB ILE A 101 7.071 -16.792 -2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.294 -14.974 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.552 -13.945 -3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.274 -15.350 -0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.007 -15.716 -0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.489 -14.124 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.331 -15.110 -5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.029 -15.640 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.752 -16.684 -4.396 1.00 0.00 H new ATOM 1579 N ALA A 102 10.475 -15.242 -1.314 1.00 0.00 N ATOM 1580 CA ALA A 102 11.515 -15.710 -0.403 1.00 0.00 C ATOM 1581 C ALA A 102 11.632 -14.778 0.807 1.00 0.00 C ATOM 1582 O ALA A 102 11.012 -13.714 0.844 1.00 0.00 O ATOM 1583 CB ALA A 102 12.863 -15.795 -1.161 1.00 0.00 C ATOM 0 H ALA A 102 10.380 -14.228 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 102 11.249 -16.701 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.641 -16.144 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.769 -16.492 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.129 -14.809 -1.541 1.00 0.00 H new ATOM 1589 N PRO A 103 12.422 -15.155 1.783 1.00 0.00 N ATOM 1590 CA PRO A 103 12.640 -14.326 3.007 1.00 0.00 C ATOM 1591 C PRO A 103 13.021 -12.884 2.667 1.00 0.00 C ATOM 1592 O PRO A 103 12.628 -11.946 3.360 1.00 0.00 O ATOM 1593 CB PRO A 103 13.794 -15.042 3.728 1.00 0.00 C ATOM 1594 CG PRO A 103 13.726 -16.462 3.269 1.00 0.00 C ATOM 1595 CD PRO A 103 13.192 -16.415 1.834 1.00 0.00 C ATOM 0 HA PRO A 103 11.737 -14.244 3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.754 -14.593 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.685 -14.973 4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.709 -16.931 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.069 -17.049 3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.003 -16.418 1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.563 -17.277 1.613 1.00 0.00 H new ATOM 1603 N ARG A 104 13.798 -12.716 1.597 1.00 0.00 N ATOM 1604 CA ARG A 104 14.239 -11.386 1.169 1.00 0.00 C ATOM 1605 C ARG A 104 14.030 -11.215 -0.330 1.00 0.00 C ATOM 1606 O ARG A 104 14.799 -11.735 -1.140 1.00 0.00 O ATOM 1607 CB ARG A 104 15.715 -11.202 1.495 1.00 0.00 C ATOM 1608 CG ARG A 104 15.900 -11.212 3.009 1.00 0.00 C ATOM 1609 CD ARG A 104 17.391 -11.156 3.334 1.00 0.00 C ATOM 1610 NE ARG A 104 17.965 -9.898 2.865 1.00 0.00 N ATOM 1611 CZ ARG A 104 19.273 -9.668 2.941 1.00 0.00 C ATOM 1612 NH1 ARG A 104 20.069 -10.570 3.446 1.00 0.00 N ATOM 1613 NH2 ARG A 104 19.761 -8.534 2.515 1.00 0.00 N ATOM 0 H ARG A 104 14.135 -13.480 1.012 1.00 0.00 H new ATOM 0 HA ARG A 104 13.650 -10.638 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 104 16.302 -11.999 1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 104 16.077 -10.262 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 104 15.386 -10.361 3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.456 -12.112 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 104 17.540 -11.253 4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 104 17.904 -11.995 2.865 1.00 0.00 H new ATOM 0 HE ARG A 104 17.352 -9.183 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 104 19.689 -11.454 3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 104 21.072 -10.391 3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 104 19.139 -7.826 2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 104 20.764 -8.356 2.573 1.00 0.00 H new ATOM 1627 N MET A 105 12.982 -10.481 -0.691 1.00 0.00 N ATOM 1628 CA MET A 105 12.655 -10.235 -2.094 1.00 0.00 C ATOM 1629 C MET A 105 12.618 -8.738 -2.371 1.00 0.00 C ATOM 1630 O MET A 105 12.270 -7.944 -1.498 1.00 0.00 O ATOM 1631 CB MET A 105 11.293 -10.853 -2.437 1.00 0.00 C ATOM 1632 CG MET A 105 10.235 -10.423 -1.414 1.00 0.00 C ATOM 1633 SD MET A 105 9.703 -8.731 -1.772 1.00 0.00 S ATOM 1634 CE MET A 105 8.243 -8.733 -0.703 1.00 0.00 C ATOM 0 H MET A 105 12.341 -10.044 -0.029 1.00 0.00 H new ATOM 0 HA MET A 105 13.424 -10.695 -2.714 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.988 -10.543 -3.437 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.373 -11.940 -2.451 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.381 -11.100 -1.451 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.644 -10.481 -0.405 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.005 -7.710 -0.410 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.398 -9.161 -1.242 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.445 -9.328 0.187 1.00 0.00 H new ATOM 1644 N TYR A 106 12.979 -8.357 -3.595 1.00 0.00 N ATOM 1645 CA TYR A 106 12.983 -6.951 -3.985 1.00 0.00 C ATOM 1646 C TYR A 106 11.749 -6.637 -4.819 1.00 0.00 C ATOM 1647 O TYR A 106 11.542 -7.220 -5.884 1.00 0.00 O ATOM 1648 CB TYR A 106 14.242 -6.644 -4.796 1.00 0.00 C ATOM 1649 CG TYR A 106 14.268 -5.171 -5.144 1.00 0.00 C ATOM 1650 CD1 TYR A 106 14.420 -4.221 -4.126 1.00 0.00 C ATOM 1651 CD2 TYR A 106 14.144 -4.759 -6.478 1.00 0.00 C ATOM 1652 CE1 TYR A 106 14.446 -2.858 -4.442 1.00 0.00 C ATOM 1653 CE2 TYR A 106 14.172 -3.395 -6.790 1.00 0.00 C ATOM 1654 CZ TYR A 106 14.322 -2.445 -5.773 1.00 0.00 C ATOM 1655 OH TYR A 106 14.347 -1.100 -6.082 1.00 0.00 O ATOM 0 H TYR A 106 13.271 -9.001 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 106 12.972 -6.334 -3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 106 15.131 -6.910 -4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 106 14.258 -7.244 -5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.517 -4.540 -3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 106 14.027 -5.492 -7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 106 14.562 -2.124 -3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 106 14.078 -3.075 -7.817 1.00 0.00 H new ATOM 0 HH TYR A 106 14.358 -0.988 -7.056 1.00 0.00 H new ATOM 1665 N CYS A 107 10.929 -5.706 -4.325 1.00 0.00 N ATOM 1666 CA CYS A 107 9.704 -5.306 -5.020 1.00 0.00 C ATOM 1667 C CYS A 107 9.750 -3.824 -5.371 1.00 0.00 C ATOM 1668 O CYS A 107 9.719 -2.968 -4.488 1.00 0.00 O ATOM 1669 CB CYS A 107 8.489 -5.581 -4.132 1.00 0.00 C ATOM 1670 SG CYS A 107 7.008 -5.692 -5.167 1.00 0.00 S ATOM 0 H CYS A 107 11.092 -5.215 -3.446 1.00 0.00 H new ATOM 0 HA CYS A 107 9.623 -5.885 -5.940 1.00 0.00 H new ATOM 0 HB2 CYS A 107 8.631 -6.509 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.374 -4.785 -3.396 1.00 0.00 H new ATOM 0 HG CYS A 107 5.972 -5.928 -4.418 1.00 0.00 H new ATOM 1676 N SER A 108 9.814 -3.537 -6.663 1.00 0.00 N ATOM 1677 CA SER A 108 9.857 -2.152 -7.132 1.00 0.00 C ATOM 1678 C SER A 108 9.862 -2.095 -8.655 1.00 0.00 C ATOM 1679 O SER A 108 10.046 -3.113 -9.324 1.00 0.00 O ATOM 1680 CB SER A 108 11.109 -1.450 -6.597 1.00 0.00 C ATOM 1681 OG SER A 108 11.180 -0.141 -7.144 1.00 0.00 O ATOM 0 H SER A 108 9.837 -4.237 -7.404 1.00 0.00 H new ATOM 0 HA SER A 108 8.967 -1.644 -6.761 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.076 -1.401 -5.509 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.001 -2.017 -6.864 1.00 0.00 H new ATOM 0 HG SER A 108 11.979 0.313 -6.803 1.00 0.00 H new ATOM 1687 N PHE A 109 9.667 -0.897 -9.196 1.00 0.00 N ATOM 1688 CA PHE A 109 9.664 -0.713 -10.642 1.00 0.00 C ATOM 1689 C PHE A 109 11.019 -1.080 -11.237 1.00 0.00 C ATOM 1690 O PHE A 109 11.095 -1.770 -12.253 1.00 0.00 O ATOM 1691 CB PHE A 109 9.326 0.738 -10.987 1.00 0.00 C ATOM 1692 CG PHE A 109 9.367 0.920 -12.489 1.00 0.00 C ATOM 1693 CD1 PHE A 109 8.448 0.242 -13.300 1.00 0.00 C ATOM 1694 CD2 PHE A 109 10.322 1.768 -13.071 1.00 0.00 C ATOM 1695 CE1 PHE A 109 8.484 0.413 -14.690 1.00 0.00 C ATOM 1696 CE2 PHE A 109 10.355 1.937 -14.460 1.00 0.00 C ATOM 1697 CZ PHE A 109 9.436 1.259 -15.270 1.00 0.00 C ATOM 0 H PHE A 109 9.510 -0.044 -8.659 1.00 0.00 H new ATOM 0 HA PHE A 109 8.906 -1.371 -11.067 1.00 0.00 H new ATOM 0 HB2 PHE A 109 8.337 0.993 -10.605 1.00 0.00 H new ATOM 0 HB3 PHE A 109 10.036 1.412 -10.508 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.713 -0.412 -12.854 1.00 0.00 H new ATOM 0 HD2 PHE A 109 11.032 2.290 -12.447 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.775 -0.109 -15.316 1.00 0.00 H new ATOM 0 HE2 PHE A 109 11.089 2.591 -14.907 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.462 1.389 -16.342 1.00 0.00 H new ATOM 1707 N SER A 110 12.087 -0.608 -10.601 1.00 0.00 N ATOM 1708 CA SER A 110 13.435 -0.889 -11.081 1.00 0.00 C ATOM 1709 C SER A 110 13.679 -2.388 -11.118 1.00 0.00 C ATOM 1710 O SER A 110 13.152 -3.132 -10.293 1.00 0.00 O ATOM 1711 CB SER A 110 14.462 -0.227 -10.169 1.00 0.00 C ATOM 1712 OG SER A 110 14.421 -0.848 -8.891 1.00 0.00 O ATOM 0 H SER A 110 12.046 -0.034 -9.759 1.00 0.00 H new ATOM 0 HA SER A 110 13.536 -0.487 -12.089 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.460 -0.318 -10.599 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.250 0.838 -10.076 1.00 0.00 H new ATOM 0 HG SER A 110 13.886 -1.668 -8.943 1.00 0.00 H new ATOM 1718 N ALA A 111 14.480 -2.829 -12.085 1.00 0.00 N ATOM 1719 CA ALA A 111 14.781 -4.252 -12.228 1.00 0.00 C ATOM 1720 C ALA A 111 15.988 -4.634 -11.363 1.00 0.00 C ATOM 1721 O ALA A 111 16.679 -3.766 -10.829 1.00 0.00 O ATOM 1722 CB ALA A 111 15.049 -4.584 -13.717 1.00 0.00 C ATOM 0 H ALA A 111 14.929 -2.228 -12.776 1.00 0.00 H new ATOM 0 HA ALA A 111 13.923 -4.832 -11.888 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.273 -5.646 -13.818 1.00 0.00 H new ATOM 0 HB2 ALA A 111 14.166 -4.341 -14.309 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.897 -3.999 -14.073 1.00 0.00 H new ATOM 1728 N PRO A 112 16.256 -5.910 -11.230 1.00 0.00 N ATOM 1729 CA PRO A 112 17.413 -6.405 -10.428 1.00 0.00 C ATOM 1730 C PRO A 112 18.717 -5.696 -10.807 1.00 0.00 C ATOM 1731 O PRO A 112 19.495 -5.302 -9.940 1.00 0.00 O ATOM 1732 CB PRO A 112 17.482 -7.902 -10.785 1.00 0.00 C ATOM 1733 CG PRO A 112 16.095 -8.275 -11.196 1.00 0.00 C ATOM 1734 CD PRO A 112 15.479 -7.018 -11.820 1.00 0.00 C ATOM 0 HA PRO A 112 17.286 -6.219 -9.361 1.00 0.00 H new ATOM 0 HB2 PRO A 112 18.193 -8.081 -11.592 1.00 0.00 H new ATOM 0 HB3 PRO A 112 17.812 -8.495 -9.932 1.00 0.00 H new ATOM 0 HG2 PRO A 112 16.109 -9.097 -11.911 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.512 -8.609 -10.338 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.562 -7.030 -12.907 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.419 -6.933 -11.583 1.00 0.00 H new ATOM 1742 N ASP A 113 18.946 -5.535 -12.110 1.00 0.00 N ATOM 1743 CA ASP A 113 20.159 -4.873 -12.593 1.00 0.00 C ATOM 1744 C ASP A 113 19.938 -3.376 -12.736 1.00 0.00 C ATOM 1745 O ASP A 113 20.825 -2.574 -12.444 1.00 0.00 O ATOM 1746 CB ASP A 113 20.579 -5.466 -13.941 1.00 0.00 C ATOM 1747 CG ASP A 113 19.402 -5.437 -14.908 1.00 0.00 C ATOM 1748 OD1 ASP A 113 18.325 -5.048 -14.489 1.00 0.00 O ATOM 1749 OD2 ASP A 113 19.595 -5.807 -16.055 1.00 0.00 O ATOM 0 H ASP A 113 18.314 -5.851 -12.845 1.00 0.00 H new ATOM 0 HA ASP A 113 20.952 -5.038 -11.863 1.00 0.00 H new ATOM 0 HB2 ASP A 113 21.414 -4.900 -14.353 1.00 0.00 H new ATOM 0 HB3 ASP A 113 20.925 -6.491 -13.806 1.00 0.00 H new ATOM 1754 N ASP A 114 18.748 -3.013 -13.181 1.00 0.00 N ATOM 1755 CA ASP A 114 18.406 -1.607 -13.360 1.00 0.00 C ATOM 1756 C ASP A 114 18.095 -0.957 -12.017 1.00 0.00 C ATOM 1757 O ASP A 114 18.967 -0.963 -11.161 1.00 0.00 O ATOM 1758 CB ASP A 114 17.194 -1.472 -14.287 1.00 0.00 C ATOM 1759 CG ASP A 114 16.930 0.002 -14.584 1.00 0.00 C ATOM 1760 OD1 ASP A 114 17.456 0.838 -13.865 1.00 0.00 O ATOM 1761 OD2 ASP A 114 16.210 0.275 -15.530 1.00 0.00 O ATOM 0 H ASP A 114 18.003 -3.666 -13.425 1.00 0.00 H new ATOM 0 HA ASP A 114 19.261 -1.101 -13.808 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.374 -2.013 -15.216 1.00 0.00 H new ATOM 0 HB3 ASP A 114 16.317 -1.921 -13.821 1.00 0.00 H new TER 1766 ASP A 114