USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 835 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 79 GLN : amide:sc= 0.755 X(o=1.4,f=1.3) USER MOD Set 1.2: A 80 TYR OH : rot 30:sc= 0.604 USER MOD Set 2.1: A 29 SER OG : rot -128:sc= 1.27 USER MOD Set 2.2: A 66 TYR OH : rot 30:sc= 0.695 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.062 K(o=0.054,f=-4.9!) USER MOD Set 3.2: A 21 SER OG : rot -145:sc=-0.00758 USER MOD Single : A 15 GLN : amide:sc= -0.854 K(o=-0.85,f=-4.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -138:sc= -4.19! (180deg=-9.28!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -19:sc= 0.0366 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.153 K(o=-0.15,f=-3.6!) USER MOD Single : A 70 THR OG1 : rot -118:sc= 0.295 USER MOD Single : A 78 THR OG1 : rot 72:sc= 0.428 USER MOD Single : A 81 ASN : amide:sc= 0.153 K(o=0.15,f=-1.9) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -172:sc= -0.158 USER MOD Single : A 92 LYS NZ :NH3+ 138:sc= -0.258 (180deg=-1.29!) USER MOD Single : A 93 ASN : amide:sc=-0.000611 K(o=-0.00061,f=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 41:sc= 0.976 USER MOD Single : A 106 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0444) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 108 THR OG1 : rot -170:sc= 0.0166 USER MOD Single : A 110 THR OG1 : rot 62:sc= 0.327 USER MOD Single : A 112 SER OG : rot 71:sc= 0.765 USER MOD Single : A 115 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.103) USER MOD Single : A 116 TYR OH : rot 43:sc= 0.309 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.611 -4.231 -8.953 1.00 0.00 N ATOM 2 CA VAL A 14 -3.928 -3.740 -9.389 1.00 0.00 C ATOM 3 C VAL A 14 -3.783 -2.404 -10.146 1.00 0.00 C ATOM 4 O VAL A 14 -2.931 -1.572 -9.855 1.00 0.00 O ATOM 5 CB VAL A 14 -4.875 -3.626 -8.179 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.500 -2.468 -7.249 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.353 -3.550 -8.590 1.00 0.00 C ATOM 0 HA VAL A 14 -4.369 -4.454 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.745 -4.550 -7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.198 -2.432 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.489 -2.618 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.546 -1.529 -7.801 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.975 -3.471 -7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.511 -2.675 -9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.624 -4.450 -9.143 1.00 0.00 H new ATOM 17 N GLN A 15 -4.734 -2.211 -11.043 1.00 0.00 N ATOM 18 CA GLN A 15 -4.910 -1.001 -11.854 1.00 0.00 C ATOM 19 C GLN A 15 -5.806 -0.057 -11.051 1.00 0.00 C ATOM 20 O GLN A 15 -7.018 0.067 -11.248 1.00 0.00 O ATOM 21 CB GLN A 15 -5.563 -1.364 -13.200 1.00 0.00 C ATOM 22 CG GLN A 15 -4.734 -2.330 -14.039 1.00 0.00 C ATOM 23 CD GLN A 15 -4.617 -3.758 -13.479 1.00 0.00 C ATOM 24 OE1 GLN A 15 -5.324 -4.250 -12.603 1.00 0.00 O ATOM 25 NE2 GLN A 15 -3.682 -4.508 -13.983 1.00 0.00 N ATOM 0 H GLN A 15 -5.440 -2.920 -11.241 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.954 -0.525 -12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.541 -1.806 -13.012 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.730 -0.451 -13.771 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.170 -2.384 -15.037 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.731 -1.919 -14.151 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.071 -4.141 -14.713 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.559 -5.464 -13.649 1.00 0.00 H new ATOM 34 N ASP A 16 -5.167 0.355 -9.953 1.00 0.00 N ATOM 35 CA ASP A 16 -5.700 1.247 -8.921 1.00 0.00 C ATOM 36 C ASP A 16 -6.965 0.711 -8.233 1.00 0.00 C ATOM 37 O ASP A 16 -8.096 0.836 -8.710 1.00 0.00 O ATOM 38 CB ASP A 16 -5.891 2.669 -9.471 1.00 0.00 C ATOM 39 CG ASP A 16 -4.590 3.310 -9.973 1.00 0.00 C ATOM 40 OD1 ASP A 16 -4.715 4.354 -10.643 1.00 0.00 O ATOM 41 OD2 ASP A 16 -3.497 2.757 -9.707 1.00 0.00 O ATOM 0 H ASP A 16 -4.212 0.059 -9.750 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.950 1.289 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.612 2.640 -10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.319 3.298 -8.690 1.00 0.00 H new ATOM 47 N VAL A 17 -6.717 0.242 -7.014 1.00 0.00 N ATOM 48 CA VAL A 17 -7.759 -0.364 -6.179 1.00 0.00 C ATOM 49 C VAL A 17 -8.649 0.738 -5.573 1.00 0.00 C ATOM 50 O VAL A 17 -8.244 1.883 -5.365 1.00 0.00 O ATOM 51 CB VAL A 17 -7.176 -1.406 -5.182 1.00 0.00 C ATOM 52 CG1 VAL A 17 -6.137 -0.872 -4.203 1.00 0.00 C ATOM 53 CG2 VAL A 17 -8.243 -2.211 -4.449 1.00 0.00 C ATOM 0 H VAL A 17 -5.796 0.269 -6.576 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.428 -0.968 -6.792 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.636 -2.082 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.798 -1.681 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.288 -0.470 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.581 -0.083 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.764 -2.917 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.880 -1.536 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.849 -2.756 -5.173 1.00 0.00 H new ATOM 63 N ASN A 18 -9.916 0.362 -5.511 1.00 0.00 N ATOM 64 CA ASN A 18 -11.053 1.212 -5.113 1.00 0.00 C ATOM 65 C ASN A 18 -12.063 0.319 -4.365 1.00 0.00 C ATOM 66 O ASN A 18 -11.877 -0.898 -4.298 1.00 0.00 O ATOM 67 CB ASN A 18 -11.647 1.850 -6.385 1.00 0.00 C ATOM 68 CG ASN A 18 -12.061 0.818 -7.443 1.00 0.00 C ATOM 69 OD1 ASN A 18 -12.925 -0.024 -7.226 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.381 0.812 -8.568 1.00 0.00 N ATOM 0 H ASN A 18 -10.205 -0.587 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.759 2.023 -4.447 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.516 2.449 -6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.914 2.531 -6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.569 0.100 -9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.665 1.519 -8.735 1.00 0.00 H new ATOM 77 N ASP A 19 -13.179 0.896 -3.945 1.00 0.00 N ATOM 78 CA ASP A 19 -14.232 0.156 -3.213 1.00 0.00 C ATOM 79 C ASP A 19 -14.714 -1.158 -3.859 1.00 0.00 C ATOM 80 O ASP A 19 -14.664 -2.200 -3.211 1.00 0.00 O ATOM 81 CB ASP A 19 -15.428 1.084 -2.933 1.00 0.00 C ATOM 82 CG ASP A 19 -15.308 1.764 -1.562 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.888 1.224 -0.602 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.660 2.824 -1.489 1.00 0.00 O ATOM 0 H ASP A 19 -13.393 1.882 -4.093 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.753 -0.161 -2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.490 1.844 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.353 0.509 -2.975 1.00 0.00 H new ATOM 90 N SER A 20 -14.895 -1.128 -5.178 1.00 0.00 N ATOM 91 CA SER A 20 -15.400 -2.284 -5.957 1.00 0.00 C ATOM 92 C SER A 20 -14.382 -3.418 -6.086 1.00 0.00 C ATOM 93 O SER A 20 -14.750 -4.599 -6.016 1.00 0.00 O ATOM 94 CB SER A 20 -15.780 -1.814 -7.363 1.00 0.00 C ATOM 95 OG SER A 20 -16.639 -0.690 -7.257 1.00 0.00 O ATOM 0 H SER A 20 -14.699 -0.305 -5.748 1.00 0.00 H new ATOM 0 HA SER A 20 -16.260 -2.676 -5.415 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.885 -1.552 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.276 -2.617 -7.907 1.00 0.00 H new ATOM 0 HG SER A 20 -16.886 -0.381 -8.154 1.00 0.00 H new ATOM 101 N SER A 21 -13.128 -3.061 -6.344 1.00 0.00 N ATOM 102 CA SER A 21 -12.036 -4.034 -6.461 1.00 0.00 C ATOM 103 C SER A 21 -11.438 -4.506 -5.140 1.00 0.00 C ATOM 104 O SER A 21 -10.873 -5.594 -5.095 1.00 0.00 O ATOM 105 CB SER A 21 -10.902 -3.534 -7.354 1.00 0.00 C ATOM 106 OG SER A 21 -10.470 -2.239 -6.921 1.00 0.00 O ATOM 0 H SER A 21 -12.836 -2.093 -6.478 1.00 0.00 H new ATOM 0 HA SER A 21 -12.528 -4.893 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.067 -4.234 -7.322 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.238 -3.486 -8.390 1.00 0.00 H new ATOM 0 HG SER A 21 -10.209 -1.704 -7.700 1.00 0.00 H new ATOM 112 N TRP A 22 -11.708 -3.791 -4.042 1.00 0.00 N ATOM 113 CA TRP A 22 -11.125 -4.088 -2.719 1.00 0.00 C ATOM 114 C TRP A 22 -11.333 -5.541 -2.261 1.00 0.00 C ATOM 115 O TRP A 22 -10.382 -6.250 -1.948 1.00 0.00 O ATOM 116 CB TRP A 22 -11.695 -3.060 -1.752 1.00 0.00 C ATOM 117 CG TRP A 22 -11.056 -3.179 -0.376 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.609 -3.787 0.649 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.817 -2.708 0.029 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.793 -3.744 1.709 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.683 -3.082 1.372 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.781 -2.020 -0.646 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.496 -2.782 2.074 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.597 -1.741 0.049 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.453 -2.106 1.403 1.00 0.00 C ATOM 0 H TRP A 22 -12.337 -2.988 -4.041 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.039 -4.006 -2.763 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.530 -2.057 -2.146 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.773 -3.196 -1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.583 -4.254 0.638 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.987 -4.150 2.624 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.901 -1.716 -1.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.387 -3.066 3.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.785 -1.241 -0.458 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.541 -1.868 1.930 1.00 0.00 H new ATOM 136 N LYS A 23 -12.555 -6.021 -2.462 1.00 0.00 N ATOM 137 CA LYS A 23 -12.932 -7.388 -2.050 1.00 0.00 C ATOM 138 C LYS A 23 -12.472 -8.570 -2.899 1.00 0.00 C ATOM 139 O LYS A 23 -12.586 -9.728 -2.500 1.00 0.00 O ATOM 140 CB LYS A 23 -14.425 -7.458 -1.748 1.00 0.00 C ATOM 141 CG LYS A 23 -14.555 -6.641 -0.469 1.00 0.00 C ATOM 142 CD LYS A 23 -15.953 -6.701 0.104 1.00 0.00 C ATOM 143 CE LYS A 23 -15.904 -5.830 1.343 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.981 -6.301 2.196 1.00 0.00 N ATOM 0 H LYS A 23 -13.307 -5.493 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.335 -7.537 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.021 -7.037 -2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.760 -8.485 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.844 -7.010 0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.292 -5.603 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.689 -6.331 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.235 -7.724 0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.940 -5.917 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.037 -4.779 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.002 -5.739 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.888 -6.199 1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.825 -7.302 2.431 1.00 0.00 H new ATOM 158 N GLU A 24 -11.877 -8.234 -4.032 1.00 0.00 N ATOM 159 CA GLU A 24 -11.251 -9.223 -4.937 1.00 0.00 C ATOM 160 C GLU A 24 -9.727 -9.025 -5.076 1.00 0.00 C ATOM 161 O GLU A 24 -8.979 -9.799 -4.498 1.00 0.00 O ATOM 162 CB GLU A 24 -11.975 -9.293 -6.284 1.00 0.00 C ATOM 163 CG GLU A 24 -12.286 -7.920 -6.893 1.00 0.00 C ATOM 164 CD GLU A 24 -12.900 -7.944 -8.299 1.00 0.00 C ATOM 165 OE1 GLU A 24 -13.055 -6.832 -8.838 1.00 0.00 O ATOM 166 OE2 GLU A 24 -13.172 -9.051 -8.822 1.00 0.00 O ATOM 0 H GLU A 24 -11.807 -7.272 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.370 -10.201 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.364 -9.861 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.907 -9.843 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.969 -7.393 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.364 -7.340 -6.928 1.00 0.00 H new ATOM 174 N PHE A 25 -9.359 -7.790 -5.374 1.00 0.00 N ATOM 175 CA PHE A 25 -7.968 -7.387 -5.679 1.00 0.00 C ATOM 176 C PHE A 25 -7.193 -6.778 -4.499 1.00 0.00 C ATOM 177 O PHE A 25 -6.392 -5.862 -4.651 1.00 0.00 O ATOM 178 CB PHE A 25 -8.002 -6.448 -6.888 1.00 0.00 C ATOM 179 CG PHE A 25 -8.044 -7.236 -8.201 1.00 0.00 C ATOM 180 CD1 PHE A 25 -6.834 -7.753 -8.713 1.00 0.00 C ATOM 181 CD2 PHE A 25 -9.229 -7.283 -8.959 1.00 0.00 C ATOM 182 CE1 PHE A 25 -6.817 -8.311 -9.999 1.00 0.00 C ATOM 183 CE2 PHE A 25 -9.214 -7.845 -10.258 1.00 0.00 C ATOM 184 CZ PHE A 25 -7.998 -8.350 -10.768 1.00 0.00 C ATOM 0 H PHE A 25 -10.020 -7.014 -5.415 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.405 -8.293 -5.905 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.875 -5.798 -6.823 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.123 -5.803 -6.876 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.932 -7.719 -8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.148 -6.891 -8.550 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.898 -8.711 -10.401 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.117 -7.887 -10.849 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.972 -8.772 -11.762 1.00 0.00 H new ATOM 194 N VAL A 26 -7.546 -7.308 -3.322 1.00 0.00 N ATOM 195 CA VAL A 26 -6.940 -7.114 -1.980 1.00 0.00 C ATOM 196 C VAL A 26 -7.382 -8.339 -1.158 1.00 0.00 C ATOM 197 O VAL A 26 -6.628 -9.302 -1.042 1.00 0.00 O ATOM 198 CB VAL A 26 -7.274 -5.779 -1.280 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.832 -5.739 0.193 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.592 -4.591 -1.962 1.00 0.00 C ATOM 0 H VAL A 26 -8.339 -7.947 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.857 -7.041 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.360 -5.708 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.096 -4.774 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.333 -6.534 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.753 -5.880 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.853 -3.672 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.511 -4.728 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.925 -4.526 -2.998 1.00 0.00 H new ATOM 210 N LEU A 27 -8.676 -8.401 -0.867 1.00 0.00 N ATOM 211 CA LEU A 27 -9.238 -9.476 -0.014 1.00 0.00 C ATOM 212 C LEU A 27 -9.084 -10.895 -0.565 1.00 0.00 C ATOM 213 O LEU A 27 -8.648 -11.798 0.147 1.00 0.00 O ATOM 214 CB LEU A 27 -10.716 -9.210 0.300 1.00 0.00 C ATOM 215 CG LEU A 27 -10.999 -8.388 1.573 1.00 0.00 C ATOM 216 CD1 LEU A 27 -10.934 -9.277 2.814 1.00 0.00 C ATOM 217 CD2 LEU A 27 -10.176 -7.108 1.708 1.00 0.00 C ATOM 0 H LEU A 27 -9.365 -7.728 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.637 -9.440 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.160 -8.691 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.226 -10.169 0.390 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.019 -8.018 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.137 -8.678 3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.678 -10.069 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.941 -9.719 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.445 -6.599 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.115 -7.358 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.380 -6.453 0.861 1.00 0.00 H new ATOM 229 N GLU A 28 -9.300 -11.045 -1.864 1.00 0.00 N ATOM 230 CA GLU A 28 -9.337 -12.387 -2.479 1.00 0.00 C ATOM 231 C GLU A 28 -8.269 -12.727 -3.515 1.00 0.00 C ATOM 232 O GLU A 28 -8.522 -13.507 -4.430 1.00 0.00 O ATOM 233 CB GLU A 28 -10.703 -12.508 -3.107 1.00 0.00 C ATOM 234 CG GLU A 28 -11.591 -13.409 -2.266 1.00 0.00 C ATOM 235 CD GLU A 28 -12.954 -13.207 -2.906 1.00 0.00 C ATOM 236 OE1 GLU A 28 -13.134 -13.714 -4.035 1.00 0.00 O ATOM 237 OE2 GLU A 28 -13.735 -12.450 -2.294 1.00 0.00 O ATOM 0 H GLU A 28 -9.452 -10.274 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.124 -13.099 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.157 -11.521 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.613 -12.913 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.272 -14.450 -2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.588 -13.118 -1.216 1.00 0.00 H new ATOM 245 N SER A 29 -7.041 -12.329 -3.234 1.00 0.00 N ATOM 246 CA SER A 29 -5.921 -12.740 -4.087 1.00 0.00 C ATOM 247 C SER A 29 -5.382 -14.120 -3.691 1.00 0.00 C ATOM 248 O SER A 29 -4.618 -14.746 -4.428 1.00 0.00 O ATOM 249 CB SER A 29 -4.859 -11.633 -4.005 1.00 0.00 C ATOM 250 OG SER A 29 -5.488 -10.372 -4.229 1.00 0.00 O ATOM 0 H SER A 29 -6.789 -11.736 -2.443 1.00 0.00 H new ATOM 0 HA SER A 29 -6.244 -12.857 -5.121 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.376 -11.645 -3.028 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.079 -11.803 -4.748 1.00 0.00 H new ATOM 0 HG SER A 29 -5.007 -9.886 -4.931 1.00 0.00 H new ATOM 256 N GLU A 30 -5.866 -14.580 -2.537 1.00 0.00 N ATOM 257 CA GLU A 30 -5.547 -15.839 -1.833 1.00 0.00 C ATOM 258 C GLU A 30 -4.106 -15.937 -1.305 1.00 0.00 C ATOM 259 O GLU A 30 -3.737 -16.869 -0.597 1.00 0.00 O ATOM 260 CB GLU A 30 -5.856 -17.088 -2.679 1.00 0.00 C ATOM 261 CG GLU A 30 -7.342 -17.457 -2.698 1.00 0.00 C ATOM 262 CD GLU A 30 -8.236 -16.635 -3.628 1.00 0.00 C ATOM 263 OE1 GLU A 30 -9.365 -16.322 -3.177 1.00 0.00 O ATOM 264 OE2 GLU A 30 -7.818 -16.344 -4.777 1.00 0.00 O ATOM 0 H GLU A 30 -6.555 -14.037 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.208 -15.810 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.518 -16.918 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.285 -17.931 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.430 -18.506 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.729 -17.366 -1.683 1.00 0.00 H new ATOM 272 N VAL A 31 -3.410 -14.824 -1.496 1.00 0.00 N ATOM 273 CA VAL A 31 -1.986 -14.610 -1.192 1.00 0.00 C ATOM 274 C VAL A 31 -1.868 -13.474 -0.156 1.00 0.00 C ATOM 275 O VAL A 31 -2.749 -12.607 -0.156 1.00 0.00 O ATOM 276 CB VAL A 31 -1.239 -14.261 -2.491 1.00 0.00 C ATOM 277 CG1 VAL A 31 -1.292 -15.431 -3.477 1.00 0.00 C ATOM 278 CG2 VAL A 31 -1.744 -12.983 -3.179 1.00 0.00 C ATOM 0 H VAL A 31 -3.844 -13.990 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.539 -15.512 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.209 -14.068 -2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.758 -15.163 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.825 -16.307 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.331 -15.657 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.167 -12.806 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.797 -13.100 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.627 -12.136 -2.504 1.00 0.00 H new ATOM 288 N PRO A 32 -0.773 -13.399 0.610 1.00 0.00 N ATOM 289 CA PRO A 32 -0.489 -12.232 1.480 1.00 0.00 C ATOM 290 C PRO A 32 -0.512 -10.955 0.636 1.00 0.00 C ATOM 291 O PRO A 32 -0.076 -10.921 -0.518 1.00 0.00 O ATOM 292 CB PRO A 32 0.867 -12.524 2.107 1.00 0.00 C ATOM 293 CG PRO A 32 0.871 -14.046 2.187 1.00 0.00 C ATOM 294 CD PRO A 32 0.204 -14.481 0.875 1.00 0.00 C ATOM 0 HA PRO A 32 -1.229 -12.076 2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.687 -12.147 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.967 -12.065 3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.884 -14.440 2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.317 -14.403 3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.930 -14.574 0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.286 -15.449 0.976 1.00 0.00 H new ATOM 302 N VAL A 33 -1.182 -9.961 1.192 1.00 0.00 N ATOM 303 CA VAL A 33 -1.486 -8.714 0.474 1.00 0.00 C ATOM 304 C VAL A 33 -0.913 -7.481 1.182 1.00 0.00 C ATOM 305 O VAL A 33 -0.956 -7.339 2.401 1.00 0.00 O ATOM 306 CB VAL A 33 -3.021 -8.648 0.292 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.594 -7.267 -0.063 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.487 -9.656 -0.753 1.00 0.00 C ATOM 0 H VAL A 33 -1.534 -9.985 2.149 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.003 -8.713 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.410 -8.890 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.677 -7.338 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.351 -6.558 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.161 -6.924 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.569 -9.591 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.011 -9.436 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.214 -10.662 -0.435 1.00 0.00 H new ATOM 318 N MET A 34 -0.489 -6.577 0.320 1.00 0.00 N ATOM 319 CA MET A 34 0.040 -5.261 0.689 1.00 0.00 C ATOM 320 C MET A 34 -0.738 -4.182 -0.049 1.00 0.00 C ATOM 321 O MET A 34 -0.998 -4.280 -1.255 1.00 0.00 O ATOM 322 CB MET A 34 1.508 -5.228 0.275 1.00 0.00 C ATOM 323 CG MET A 34 2.169 -3.948 0.767 1.00 0.00 C ATOM 324 SD MET A 34 3.991 -4.104 0.886 1.00 0.00 S ATOM 325 CE MET A 34 4.075 -5.401 2.113 1.00 0.00 C ATOM 0 H MET A 34 -0.500 -6.734 -0.688 1.00 0.00 H new ATOM 0 HA MET A 34 -0.055 -5.084 1.760 1.00 0.00 H new ATOM 0 HB2 MET A 34 2.028 -6.094 0.685 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.588 -5.292 -0.810 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.920 -3.131 0.090 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.765 -3.686 1.745 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.863 -5.172 2.831 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.120 -5.472 2.633 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.294 -6.350 1.624 1.00 0.00 H new ATOM 335 N VAL A 35 -1.034 -3.123 0.687 1.00 0.00 N ATOM 336 CA VAL A 35 -1.760 -1.972 0.136 1.00 0.00 C ATOM 337 C VAL A 35 -1.172 -0.625 0.562 1.00 0.00 C ATOM 338 O VAL A 35 -0.952 -0.341 1.739 1.00 0.00 O ATOM 339 CB VAL A 35 -3.265 -2.133 0.403 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.570 -2.118 1.900 1.00 0.00 C ATOM 341 CG2 VAL A 35 -4.076 -1.050 -0.318 1.00 0.00 C ATOM 0 H VAL A 35 -0.785 -3.029 1.672 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.629 -1.961 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.561 -3.104 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.643 -2.234 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.043 -2.938 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.242 -1.171 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.137 -1.191 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.764 -0.067 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.905 -1.122 -1.392 1.00 0.00 H new ATOM 351 N ASP A 36 -0.949 0.160 -0.483 1.00 0.00 N ATOM 352 CA ASP A 36 -0.428 1.538 -0.442 1.00 0.00 C ATOM 353 C ASP A 36 -1.615 2.513 -0.494 1.00 0.00 C ATOM 354 O ASP A 36 -2.505 2.374 -1.332 1.00 0.00 O ATOM 355 CB ASP A 36 0.434 1.699 -1.691 1.00 0.00 C ATOM 356 CG ASP A 36 1.213 3.015 -1.736 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.559 4.046 -1.991 1.00 0.00 O ATOM 358 OD2 ASP A 36 2.431 2.951 -1.455 1.00 0.00 O ATOM 0 H ASP A 36 -1.133 -0.154 -1.436 1.00 0.00 H new ATOM 0 HA ASP A 36 0.148 1.738 0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.138 0.869 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.204 1.634 -2.573 1.00 0.00 H new ATOM 364 N PHE A 37 -1.586 3.477 0.423 1.00 0.00 N ATOM 365 CA PHE A 37 -2.576 4.563 0.444 1.00 0.00 C ATOM 366 C PHE A 37 -1.942 5.937 0.269 1.00 0.00 C ATOM 367 O PHE A 37 -1.147 6.409 1.088 1.00 0.00 O ATOM 368 CB PHE A 37 -3.364 4.618 1.753 1.00 0.00 C ATOM 369 CG PHE A 37 -4.308 3.426 1.949 1.00 0.00 C ATOM 370 CD1 PHE A 37 -3.806 2.183 2.400 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.678 3.616 1.704 1.00 0.00 C ATOM 372 CE1 PHE A 37 -4.701 1.110 2.564 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.572 2.548 1.881 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.074 1.290 2.293 1.00 0.00 C ATOM 0 H PHE A 37 -0.888 3.533 1.165 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.237 4.334 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.664 4.658 2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.945 5.540 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.755 2.060 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.042 4.580 1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.337 0.149 2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.629 2.686 1.704 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.753 0.457 2.401 1.00 0.00 H new ATOM 384 N TRP A 38 -2.434 6.596 -0.767 1.00 0.00 N ATOM 385 CA TRP A 38 -2.130 7.998 -1.054 1.00 0.00 C ATOM 386 C TRP A 38 -3.334 8.852 -0.597 1.00 0.00 C ATOM 387 O TRP A 38 -4.369 8.327 -0.211 1.00 0.00 O ATOM 388 CB TRP A 38 -1.794 8.159 -2.547 1.00 0.00 C ATOM 389 CG TRP A 38 -2.927 7.848 -3.522 1.00 0.00 C ATOM 390 CD1 TRP A 38 -3.099 6.686 -4.144 1.00 0.00 C ATOM 391 CD2 TRP A 38 -3.683 8.786 -4.215 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.837 6.845 -5.236 1.00 0.00 N ATOM 393 CE2 TRP A 38 -4.235 8.114 -5.318 1.00 0.00 C ATOM 394 CE3 TRP A 38 -4.029 10.132 -3.939 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -5.153 8.771 -6.167 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -4.940 10.777 -4.784 1.00 0.00 C ATOM 397 CH2 TRP A 38 -5.496 10.109 -5.896 1.00 0.00 C ATOM 0 H TRP A 38 -3.066 6.170 -1.445 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.252 8.342 -0.507 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.465 9.184 -2.717 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.950 7.510 -2.782 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.694 5.743 -3.808 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.064 6.111 -5.907 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.599 10.650 -3.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.585 8.255 -7.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.221 11.800 -4.582 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.189 10.627 -6.543 1.00 0.00 H new ATOM 408 N ALA A 39 -3.240 10.160 -0.774 1.00 0.00 N ATOM 409 CA ALA A 39 -4.278 11.064 -0.257 1.00 0.00 C ATOM 410 C ALA A 39 -4.699 12.087 -1.319 1.00 0.00 C ATOM 411 O ALA A 39 -3.824 12.638 -1.988 1.00 0.00 O ATOM 412 CB ALA A 39 -3.714 11.761 0.972 1.00 0.00 C ATOM 0 H ALA A 39 -2.473 10.622 -1.262 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.170 10.496 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.462 12.441 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.451 11.017 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.824 12.326 0.694 1.00 0.00 H new ATOM 418 N PRO A 40 -6.003 12.408 -1.429 1.00 0.00 N ATOM 419 CA PRO A 40 -6.512 13.366 -2.429 1.00 0.00 C ATOM 420 C PRO A 40 -5.754 14.700 -2.394 1.00 0.00 C ATOM 421 O PRO A 40 -5.152 15.076 -3.392 1.00 0.00 O ATOM 422 CB PRO A 40 -7.992 13.543 -2.070 1.00 0.00 C ATOM 423 CG PRO A 40 -8.357 12.225 -1.413 1.00 0.00 C ATOM 424 CD PRO A 40 -7.108 11.854 -0.611 1.00 0.00 C ATOM 0 HA PRO A 40 -6.374 13.001 -3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.143 14.384 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.600 13.732 -2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.230 12.328 -0.768 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.597 11.462 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.127 12.290 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.015 10.775 -0.487 1.00 0.00 H new ATOM 432 N TRP A 41 -5.513 15.182 -1.174 1.00 0.00 N ATOM 433 CA TRP A 41 -4.734 16.405 -0.887 1.00 0.00 C ATOM 434 C TRP A 41 -3.268 16.421 -1.332 1.00 0.00 C ATOM 435 O TRP A 41 -2.686 17.493 -1.473 1.00 0.00 O ATOM 436 CB TRP A 41 -4.921 16.826 0.579 1.00 0.00 C ATOM 437 CG TRP A 41 -4.865 15.682 1.599 1.00 0.00 C ATOM 438 CD1 TRP A 41 -5.900 15.269 2.338 1.00 0.00 C ATOM 439 CD2 TRP A 41 -3.720 15.122 2.162 1.00 0.00 C ATOM 440 NE1 TRP A 41 -5.474 14.519 3.353 1.00 0.00 N ATOM 441 CE2 TRP A 41 -4.155 14.401 3.294 1.00 0.00 C ATOM 442 CE3 TRP A 41 -2.363 15.122 1.788 1.00 0.00 C ATOM 443 CZ2 TRP A 41 -3.228 13.694 4.090 1.00 0.00 C ATOM 444 CZ3 TRP A 41 -1.444 14.398 2.569 1.00 0.00 C ATOM 445 CH2 TRP A 41 -1.873 13.702 3.721 1.00 0.00 C ATOM 0 H TRP A 41 -5.860 14.726 -0.330 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.164 17.163 -1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.151 17.555 0.832 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.882 17.331 0.676 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.934 15.509 2.140 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.071 14.100 4.066 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.033 15.668 0.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.555 13.156 4.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.402 14.374 2.286 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.152 13.171 4.324 1.00 0.00 H new ATOM 456 N CYS A 42 -2.696 15.251 -1.605 1.00 0.00 N ATOM 457 CA CYS A 42 -1.320 15.156 -2.153 1.00 0.00 C ATOM 458 C CYS A 42 -1.241 14.615 -3.595 1.00 0.00 C ATOM 459 O CYS A 42 -0.147 14.552 -4.157 1.00 0.00 O ATOM 460 CB CYS A 42 -0.394 14.358 -1.228 1.00 0.00 C ATOM 461 SG CYS A 42 -0.922 12.641 -0.851 1.00 0.00 S ATOM 0 H CYS A 42 -3.152 14.350 -1.461 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.973 16.188 -2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.597 14.322 -1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.295 14.902 -0.288 1.00 0.00 H new ATOM 466 N GLY A 43 -2.395 14.364 -4.219 1.00 0.00 N ATOM 467 CA GLY A 43 -2.544 13.817 -5.587 1.00 0.00 C ATOM 468 C GLY A 43 -1.458 12.779 -5.959 1.00 0.00 C ATOM 469 O GLY A 43 -1.577 11.626 -5.531 1.00 0.00 O ATOM 0 H GLY A 43 -3.295 14.541 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.526 13.353 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.511 14.638 -6.303 1.00 0.00 H new ATOM 473 N PRO A 44 -0.484 13.163 -6.801 1.00 0.00 N ATOM 474 CA PRO A 44 0.705 12.326 -7.074 1.00 0.00 C ATOM 475 C PRO A 44 1.611 12.383 -5.835 1.00 0.00 C ATOM 476 O PRO A 44 2.616 13.090 -5.738 1.00 0.00 O ATOM 477 CB PRO A 44 1.379 12.970 -8.299 1.00 0.00 C ATOM 478 CG PRO A 44 0.249 13.752 -8.961 1.00 0.00 C ATOM 479 CD PRO A 44 -0.554 14.272 -7.770 1.00 0.00 C ATOM 0 HA PRO A 44 0.475 11.279 -7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.201 13.623 -8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.793 12.218 -8.970 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.629 14.566 -9.578 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.355 13.117 -9.609 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.124 15.188 -7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.583 14.499 -8.048 1.00 0.00 H new ATOM 487 N CYS A 45 1.212 11.522 -4.893 1.00 0.00 N ATOM 488 CA CYS A 45 1.790 11.447 -3.540 1.00 0.00 C ATOM 489 C CYS A 45 3.047 10.553 -3.546 1.00 0.00 C ATOM 490 O CYS A 45 3.098 9.499 -2.916 1.00 0.00 O ATOM 491 CB CYS A 45 0.703 10.888 -2.625 1.00 0.00 C ATOM 492 SG CYS A 45 0.785 11.529 -0.928 1.00 0.00 S ATOM 0 H CYS A 45 0.466 10.844 -5.049 1.00 0.00 H new ATOM 0 HA CYS A 45 2.107 12.428 -3.186 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.274 11.124 -3.048 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.784 9.801 -2.599 1.00 0.00 H new ATOM 497 N LYS A 46 4.093 11.130 -4.131 1.00 0.00 N ATOM 498 CA LYS A 46 5.376 10.443 -4.346 1.00 0.00 C ATOM 499 C LYS A 46 5.937 9.613 -3.193 1.00 0.00 C ATOM 500 O LYS A 46 6.516 8.562 -3.440 1.00 0.00 O ATOM 501 CB LYS A 46 6.499 11.395 -4.715 1.00 0.00 C ATOM 502 CG LYS A 46 6.944 10.952 -6.114 1.00 0.00 C ATOM 503 CD LYS A 46 6.062 11.649 -7.131 1.00 0.00 C ATOM 504 CE LYS A 46 6.636 13.048 -7.277 1.00 0.00 C ATOM 505 NZ LYS A 46 5.552 13.889 -7.754 1.00 0.00 N ATOM 0 H LYS A 46 4.081 12.091 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 46 5.088 9.768 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.156 12.429 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.320 11.334 -4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.991 11.207 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.860 9.870 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.070 11.121 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.026 11.683 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.019 13.412 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.470 13.054 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.895 14.864 -7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.210 13.530 -8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.774 13.876 -7.064 1.00 0.00 H new ATOM 519 N LEU A 47 5.889 10.200 -2.011 1.00 0.00 N ATOM 520 CA LEU A 47 6.377 9.543 -0.780 1.00 0.00 C ATOM 521 C LEU A 47 5.796 8.139 -0.548 1.00 0.00 C ATOM 522 O LEU A 47 6.544 7.209 -0.233 1.00 0.00 O ATOM 523 CB LEU A 47 6.147 10.474 0.420 1.00 0.00 C ATOM 524 CG LEU A 47 4.697 10.962 0.520 1.00 0.00 C ATOM 525 CD1 LEU A 47 4.169 10.722 1.928 1.00 0.00 C ATOM 526 CD2 LEU A 47 4.572 12.444 0.145 1.00 0.00 C ATOM 0 H LEU A 47 5.517 11.138 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 47 7.446 9.372 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.414 9.950 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.811 11.335 0.340 1.00 0.00 H new ATOM 0 HG LEU A 47 4.098 10.394 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.138 11.070 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.207 9.656 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.783 11.267 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.530 12.754 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.183 13.043 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.914 12.590 -0.880 1.00 0.00 H new ATOM 538 N ILE A 48 4.548 7.929 -0.950 1.00 0.00 N ATOM 539 CA ILE A 48 3.866 6.640 -0.761 1.00 0.00 C ATOM 540 C ILE A 48 3.577 5.889 -2.080 1.00 0.00 C ATOM 541 O ILE A 48 2.517 5.974 -2.695 1.00 0.00 O ATOM 542 CB ILE A 48 2.683 6.800 0.214 1.00 0.00 C ATOM 543 CG1 ILE A 48 2.077 5.454 0.617 1.00 0.00 C ATOM 544 CG2 ILE A 48 1.600 7.767 -0.291 1.00 0.00 C ATOM 545 CD1 ILE A 48 3.071 4.596 1.397 1.00 0.00 C ATOM 0 H ILE A 48 3.978 8.637 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 48 4.552 5.949 -0.272 1.00 0.00 H new ATOM 0 HB ILE A 48 3.110 7.254 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.188 5.623 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.756 4.918 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.798 7.832 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.035 8.755 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.197 7.401 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.603 3.649 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.949 4.405 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.372 5.121 2.304 1.00 0.00 H new ATOM 557 N ALA A 49 4.671 5.278 -2.515 1.00 0.00 N ATOM 558 CA ALA A 49 4.809 4.387 -3.688 1.00 0.00 C ATOM 559 C ALA A 49 6.153 3.657 -3.881 1.00 0.00 C ATOM 560 O ALA A 49 6.132 2.429 -3.800 1.00 0.00 O ATOM 561 CB ALA A 49 4.363 5.041 -5.014 1.00 0.00 C ATOM 0 H ALA A 49 5.560 5.393 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 49 4.109 3.598 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.491 4.331 -5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.314 5.327 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.969 5.927 -5.205 1.00 0.00 H new ATOM 567 N PRO A 50 7.314 4.344 -3.833 1.00 0.00 N ATOM 568 CA PRO A 50 8.652 3.752 -4.057 1.00 0.00 C ATOM 569 C PRO A 50 8.905 2.580 -3.111 1.00 0.00 C ATOM 570 O PRO A 50 9.196 1.476 -3.576 1.00 0.00 O ATOM 571 CB PRO A 50 9.653 4.866 -3.737 1.00 0.00 C ATOM 572 CG PRO A 50 8.857 6.168 -3.835 1.00 0.00 C ATOM 573 CD PRO A 50 7.445 5.736 -3.412 1.00 0.00 C ATOM 0 HA PRO A 50 8.740 3.377 -5.077 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.077 4.739 -2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.485 4.860 -4.441 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.259 6.938 -3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.870 6.575 -4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.312 5.833 -2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.687 6.361 -3.884 1.00 0.00 H new ATOM 581 N VAL A 51 8.689 2.800 -1.807 1.00 0.00 N ATOM 582 CA VAL A 51 8.788 1.742 -0.768 1.00 0.00 C ATOM 583 C VAL A 51 7.992 0.475 -1.151 1.00 0.00 C ATOM 584 O VAL A 51 8.596 -0.582 -1.317 1.00 0.00 O ATOM 585 CB VAL A 51 8.393 2.328 0.599 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.401 1.267 1.717 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.341 3.464 1.016 1.00 0.00 C ATOM 0 H VAL A 51 8.440 3.715 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 51 9.822 1.406 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 51 7.379 2.709 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.115 1.731 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.692 0.476 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.401 0.843 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.034 3.856 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.359 3.081 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.302 4.261 0.274 1.00 0.00 H new ATOM 597 N ILE A 52 6.723 0.639 -1.482 1.00 0.00 N ATOM 598 CA ILE A 52 5.848 -0.479 -1.891 1.00 0.00 C ATOM 599 C ILE A 52 6.290 -1.137 -3.217 1.00 0.00 C ATOM 600 O ILE A 52 6.303 -2.353 -3.317 1.00 0.00 O ATOM 601 CB ILE A 52 4.390 0.053 -1.828 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.810 -0.099 -0.414 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.419 -0.555 -2.850 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.550 0.747 0.638 1.00 0.00 C ATOM 0 H ILE A 52 6.257 1.546 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 52 5.924 -1.327 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 52 4.480 1.105 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.758 0.187 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.851 -1.148 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.430 -0.115 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.777 -0.350 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.359 -1.633 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.092 0.595 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.597 0.445 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.486 1.801 0.368 1.00 0.00 H new ATOM 616 N ASP A 53 6.857 -0.308 -4.101 1.00 0.00 N ATOM 617 CA ASP A 53 7.438 -0.814 -5.367 1.00 0.00 C ATOM 618 C ASP A 53 8.705 -1.681 -5.173 1.00 0.00 C ATOM 619 O ASP A 53 9.070 -2.477 -6.030 1.00 0.00 O ATOM 620 CB ASP A 53 7.739 0.321 -6.352 1.00 0.00 C ATOM 621 CG ASP A 53 6.492 1.075 -6.788 1.00 0.00 C ATOM 622 OD1 ASP A 53 6.443 2.280 -6.470 1.00 0.00 O ATOM 623 OD2 ASP A 53 5.614 0.436 -7.412 1.00 0.00 O ATOM 0 H ASP A 53 6.930 0.701 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 53 6.666 -1.460 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.437 1.020 -5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.234 -0.090 -7.231 1.00 0.00 H new ATOM 629 N GLU A 54 9.391 -1.395 -4.083 1.00 0.00 N ATOM 630 CA GLU A 54 10.575 -2.140 -3.612 1.00 0.00 C ATOM 631 C GLU A 54 10.170 -3.429 -2.886 1.00 0.00 C ATOM 632 O GLU A 54 10.645 -4.518 -3.242 1.00 0.00 O ATOM 633 CB GLU A 54 11.386 -1.280 -2.649 1.00 0.00 C ATOM 634 CG GLU A 54 12.035 -0.085 -3.359 1.00 0.00 C ATOM 635 CD GLU A 54 12.613 0.919 -2.372 1.00 0.00 C ATOM 636 OE1 GLU A 54 13.830 0.825 -2.104 1.00 0.00 O ATOM 637 OE2 GLU A 54 11.853 1.825 -1.956 1.00 0.00 O ATOM 0 H GLU A 54 9.144 -0.616 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 54 11.171 -2.395 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.738 -0.920 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.160 -1.889 -2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.826 -0.441 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.294 0.409 -3.987 1.00 0.00 H new ATOM 645 N LEU A 55 9.208 -3.311 -1.967 1.00 0.00 N ATOM 646 CA LEU A 55 8.639 -4.476 -1.248 1.00 0.00 C ATOM 647 C LEU A 55 8.025 -5.532 -2.168 1.00 0.00 C ATOM 648 O LEU A 55 8.131 -6.731 -1.909 1.00 0.00 O ATOM 649 CB LEU A 55 7.592 -3.993 -0.218 1.00 0.00 C ATOM 650 CG LEU A 55 8.168 -3.084 0.884 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.051 -2.405 1.676 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.115 -3.852 1.812 1.00 0.00 C ATOM 0 H LEU A 55 8.798 -2.417 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 55 9.473 -4.965 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.803 -3.454 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.129 -4.862 0.248 1.00 0.00 H new ATOM 0 HG LEU A 55 8.753 -2.306 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.486 -1.769 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.446 -1.797 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.423 -3.164 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.501 -3.178 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.574 -4.669 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.945 -4.256 1.232 1.00 0.00 H new ATOM 664 N ALA A 56 7.680 -5.059 -3.362 1.00 0.00 N ATOM 665 CA ALA A 56 7.178 -5.854 -4.497 1.00 0.00 C ATOM 666 C ALA A 56 8.210 -6.915 -4.938 1.00 0.00 C ATOM 667 O ALA A 56 8.025 -8.099 -4.672 1.00 0.00 O ATOM 668 CB ALA A 56 6.851 -4.885 -5.643 1.00 0.00 C ATOM 0 H ALA A 56 7.743 -4.065 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 56 6.281 -6.399 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.476 -5.447 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.092 -4.176 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.753 -4.344 -5.931 1.00 0.00 H new ATOM 674 N LYS A 57 9.369 -6.447 -5.387 1.00 0.00 N ATOM 675 CA LYS A 57 10.481 -7.323 -5.796 1.00 0.00 C ATOM 676 C LYS A 57 11.187 -8.043 -4.629 1.00 0.00 C ATOM 677 O LYS A 57 11.546 -9.209 -4.758 1.00 0.00 O ATOM 678 CB LYS A 57 11.468 -6.606 -6.722 1.00 0.00 C ATOM 679 CG LYS A 57 11.964 -5.262 -6.178 1.00 0.00 C ATOM 680 CD LYS A 57 13.017 -4.696 -7.121 1.00 0.00 C ATOM 681 CE LYS A 57 13.497 -3.336 -6.611 1.00 0.00 C ATOM 682 NZ LYS A 57 14.618 -2.934 -7.469 1.00 0.00 N ATOM 0 H LYS A 57 9.573 -5.452 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 57 10.015 -8.122 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.326 -7.256 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.991 -6.442 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.131 -4.565 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.385 -5.393 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.859 -5.384 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.602 -4.592 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.693 -2.601 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.812 -3.403 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.979 -2.010 -7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.377 -3.642 -7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.293 -2.865 -8.455 1.00 0.00 H new ATOM 696 N GLU A 58 11.143 -7.400 -3.459 1.00 0.00 N ATOM 697 CA GLU A 58 11.657 -7.965 -2.187 1.00 0.00 C ATOM 698 C GLU A 58 10.914 -9.236 -1.779 1.00 0.00 C ATOM 699 O GLU A 58 11.516 -10.209 -1.326 1.00 0.00 O ATOM 700 CB GLU A 58 11.492 -6.917 -1.087 1.00 0.00 C ATOM 701 CG GLU A 58 12.736 -6.077 -0.891 1.00 0.00 C ATOM 702 CD GLU A 58 12.435 -4.827 -0.054 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.226 -4.982 1.173 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.408 -3.735 -0.655 1.00 0.00 O ATOM 0 H GLU A 58 10.749 -6.465 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 58 12.705 -8.226 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.654 -6.266 -1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.243 -7.415 -0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.505 -6.671 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.135 -5.781 -1.861 1.00 0.00 H new ATOM 712 N TYR A 59 9.594 -9.165 -1.921 1.00 0.00 N ATOM 713 CA TYR A 59 8.679 -10.275 -1.607 1.00 0.00 C ATOM 714 C TYR A 59 7.915 -10.766 -2.836 1.00 0.00 C ATOM 715 O TYR A 59 6.691 -10.939 -2.848 1.00 0.00 O ATOM 716 CB TYR A 59 7.749 -9.856 -0.472 1.00 0.00 C ATOM 717 CG TYR A 59 8.484 -9.681 0.846 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.080 -10.829 1.426 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.874 -8.373 1.196 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.142 -10.653 2.328 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.935 -8.201 2.084 1.00 0.00 C ATOM 722 CZ TYR A 59 10.570 -9.342 2.613 1.00 0.00 C ATOM 723 OH TYR A 59 11.784 -9.193 3.197 1.00 0.00 O ATOM 0 H TYR A 59 9.117 -8.330 -2.260 1.00 0.00 H new ATOM 0 HA TYR A 59 9.269 -11.130 -1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.256 -8.921 -0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.967 -10.606 -0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.725 -11.819 1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.360 -7.518 0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.619 -11.503 2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.264 -7.211 2.361 1.00 0.00 H new ATOM 0 HH TYR A 59 12.056 -10.041 3.607 1.00 0.00 H new ATOM 733 N SER A 60 8.727 -11.061 -3.856 1.00 0.00 N ATOM 734 CA SER A 60 8.254 -11.670 -5.103 1.00 0.00 C ATOM 735 C SER A 60 7.661 -13.052 -4.795 1.00 0.00 C ATOM 736 O SER A 60 8.308 -13.892 -4.160 1.00 0.00 O ATOM 737 CB SER A 60 9.405 -11.819 -6.094 1.00 0.00 C ATOM 738 OG SER A 60 8.890 -12.356 -7.322 1.00 0.00 O ATOM 0 H SER A 60 9.731 -10.884 -3.840 1.00 0.00 H new ATOM 0 HA SER A 60 7.493 -11.028 -5.546 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.877 -10.853 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.172 -12.478 -5.686 1.00 0.00 H new ATOM 0 HG SER A 60 9.621 -12.455 -7.968 1.00 0.00 H new ATOM 744 N GLY A 61 6.341 -13.126 -4.979 1.00 0.00 N ATOM 745 CA GLY A 61 5.531 -14.324 -4.685 1.00 0.00 C ATOM 746 C GLY A 61 4.721 -14.200 -3.382 1.00 0.00 C ATOM 747 O GLY A 61 3.560 -14.611 -3.327 1.00 0.00 O ATOM 0 H GLY A 61 5.791 -12.347 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.848 -14.506 -5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.188 -15.191 -4.617 1.00 0.00 H new ATOM 751 N LYS A 62 5.334 -13.535 -2.396 1.00 0.00 N ATOM 752 CA LYS A 62 4.766 -13.300 -1.055 1.00 0.00 C ATOM 753 C LYS A 62 3.599 -12.307 -1.048 1.00 0.00 C ATOM 754 O LYS A 62 2.469 -12.681 -0.739 1.00 0.00 O ATOM 755 CB LYS A 62 5.818 -12.802 -0.051 1.00 0.00 C ATOM 756 CG LYS A 62 6.763 -13.879 0.509 1.00 0.00 C ATOM 757 CD LYS A 62 7.694 -14.431 -0.566 1.00 0.00 C ATOM 758 CE LYS A 62 8.948 -15.107 -0.014 1.00 0.00 C ATOM 759 NZ LYS A 62 9.724 -15.477 -1.208 1.00 0.00 N ATOM 0 H LYS A 62 6.265 -13.133 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 62 4.395 -14.279 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.419 -12.032 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.302 -12.327 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.355 -13.456 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.175 -14.693 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.144 -15.149 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.993 -13.617 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.511 -14.433 0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.696 -15.984 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.604 -15.948 -0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.164 -16.124 -1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.953 -14.621 -1.752 1.00 0.00 H new ATOM 773 N ILE A 63 3.900 -11.054 -1.389 1.00 0.00 N ATOM 774 CA ILE A 63 2.898 -9.981 -1.271 1.00 0.00 C ATOM 775 C ILE A 63 2.407 -9.334 -2.566 1.00 0.00 C ATOM 776 O ILE A 63 3.163 -8.886 -3.426 1.00 0.00 O ATOM 777 CB ILE A 63 3.234 -8.921 -0.198 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.633 -8.304 -0.314 1.00 0.00 C ATOM 779 CG2 ILE A 63 3.040 -9.512 1.198 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.703 -7.140 -1.304 1.00 0.00 C ATOM 0 H ILE A 63 4.809 -10.755 -1.743 1.00 0.00 H new ATOM 0 HA ILE A 63 2.036 -10.550 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 63 2.539 -8.100 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.951 -7.955 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.338 -9.076 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.279 -8.759 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.004 -9.828 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.699 -10.371 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.721 -6.751 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.416 -7.488 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.023 -6.350 -0.986 1.00 0.00 H new ATOM 792 N ALA A 64 1.088 -9.372 -2.650 1.00 0.00 N ATOM 793 CA ALA A 64 0.298 -8.728 -3.713 1.00 0.00 C ATOM 794 C ALA A 64 0.123 -7.234 -3.394 1.00 0.00 C ATOM 795 O ALA A 64 -0.567 -6.838 -2.461 1.00 0.00 O ATOM 796 CB ALA A 64 -1.032 -9.473 -3.810 1.00 0.00 C ATOM 0 H ALA A 64 0.511 -9.863 -1.967 1.00 0.00 H new ATOM 0 HA ALA A 64 0.798 -8.780 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.646 -9.022 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.846 -10.519 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.555 -9.410 -2.856 1.00 0.00 H new ATOM 802 N VAL A 65 0.919 -6.449 -4.110 1.00 0.00 N ATOM 803 CA VAL A 65 1.075 -4.988 -3.971 1.00 0.00 C ATOM 804 C VAL A 65 0.033 -4.159 -4.727 1.00 0.00 C ATOM 805 O VAL A 65 0.035 -4.053 -5.959 1.00 0.00 O ATOM 806 CB VAL A 65 2.502 -4.545 -4.324 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.332 -4.402 -3.044 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.231 -5.386 -5.382 1.00 0.00 C ATOM 0 H VAL A 65 1.512 -6.828 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 65 0.890 -4.782 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 65 2.389 -3.578 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.344 -4.087 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.873 -3.656 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.370 -5.360 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.228 -4.978 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.314 -6.416 -5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.670 -5.362 -6.316 1.00 0.00 H new ATOM 818 N TYR A 66 -0.835 -3.530 -3.949 1.00 0.00 N ATOM 819 CA TYR A 66 -1.969 -2.728 -4.468 1.00 0.00 C ATOM 820 C TYR A 66 -1.893 -1.275 -4.016 1.00 0.00 C ATOM 821 O TYR A 66 -1.446 -0.960 -2.914 1.00 0.00 O ATOM 822 CB TYR A 66 -3.249 -3.388 -3.961 1.00 0.00 C ATOM 823 CG TYR A 66 -3.316 -4.868 -4.345 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.087 -5.280 -5.684 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.587 -5.814 -3.337 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.169 -6.632 -6.027 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.689 -7.179 -3.689 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.492 -7.567 -5.024 1.00 0.00 C ATOM 829 OH TYR A 66 -3.745 -8.849 -5.407 1.00 0.00 O ATOM 0 H TYR A 66 -0.785 -3.552 -2.930 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.943 -2.706 -5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.303 -3.291 -2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.114 -2.867 -4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.849 -4.546 -6.440 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.715 -5.501 -2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.988 -6.954 -7.042 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.917 -7.919 -2.936 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.230 -9.057 -6.214 1.00 0.00 H new ATOM 839 N LYS A 67 -2.337 -0.382 -4.896 1.00 0.00 N ATOM 840 CA LYS A 67 -2.361 1.072 -4.635 1.00 0.00 C ATOM 841 C LYS A 67 -3.777 1.645 -4.719 1.00 0.00 C ATOM 842 O LYS A 67 -4.466 1.488 -5.725 1.00 0.00 O ATOM 843 CB LYS A 67 -1.370 1.850 -5.523 1.00 0.00 C ATOM 844 CG LYS A 67 -1.498 1.647 -7.047 1.00 0.00 C ATOM 845 CD LYS A 67 -0.895 0.334 -7.568 1.00 0.00 C ATOM 846 CE LYS A 67 0.612 0.244 -7.359 1.00 0.00 C ATOM 847 NZ LYS A 67 1.065 -1.066 -7.841 1.00 0.00 N ATOM 0 H LYS A 67 -2.694 -0.638 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.022 1.205 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.485 2.913 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.358 1.573 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.553 1.680 -7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.013 2.481 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.376 -0.505 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.115 0.237 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.119 1.044 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.857 0.366 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.093 -1.149 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.585 -1.818 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.838 -1.161 -8.852 1.00 0.00 H new ATOM 861 N LEU A 68 -4.241 2.064 -3.550 1.00 0.00 N ATOM 862 CA LEU A 68 -5.605 2.589 -3.368 1.00 0.00 C ATOM 863 C LEU A 68 -5.743 4.095 -3.629 1.00 0.00 C ATOM 864 O LEU A 68 -5.287 4.939 -2.858 1.00 0.00 O ATOM 865 CB LEU A 68 -6.186 2.216 -2.006 1.00 0.00 C ATOM 866 CG LEU A 68 -7.698 2.466 -2.044 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.495 1.173 -2.065 1.00 0.00 C ATOM 868 CD2 LEU A 68 -8.169 3.399 -0.928 1.00 0.00 C ATOM 0 H LEU A 68 -3.688 2.053 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.194 2.097 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.979 1.170 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.722 2.811 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.893 2.979 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.560 1.403 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.226 0.594 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.271 0.593 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.247 3.541 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.927 2.960 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.669 4.363 -1.024 1.00 0.00 H new ATOM 880 N ASN A 69 -6.563 4.356 -4.633 1.00 0.00 N ATOM 881 CA ASN A 69 -6.971 5.714 -5.007 1.00 0.00 C ATOM 882 C ASN A 69 -8.087 6.133 -4.045 1.00 0.00 C ATOM 883 O ASN A 69 -9.254 5.777 -4.204 1.00 0.00 O ATOM 884 CB ASN A 69 -7.422 5.724 -6.467 1.00 0.00 C ATOM 885 CG ASN A 69 -6.258 5.611 -7.471 1.00 0.00 C ATOM 886 OD1 ASN A 69 -5.200 5.054 -7.214 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.470 6.115 -8.669 1.00 0.00 N ATOM 0 H ASN A 69 -6.972 3.630 -5.221 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.149 6.426 -4.927 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.114 4.898 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.972 6.644 -6.663 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.750 6.042 -9.388 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.354 6.579 -8.878 1.00 0.00 H new ATOM 894 N THR A 70 -7.656 6.721 -2.944 1.00 0.00 N ATOM 895 CA THR A 70 -8.544 7.167 -1.853 1.00 0.00 C ATOM 896 C THR A 70 -9.680 8.099 -2.287 1.00 0.00 C ATOM 897 O THR A 70 -10.824 7.894 -1.907 1.00 0.00 O ATOM 898 CB THR A 70 -7.696 7.796 -0.748 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.766 8.718 -1.324 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.989 6.709 0.046 1.00 0.00 C ATOM 0 H THR A 70 -6.670 6.911 -2.767 1.00 0.00 H new ATOM 0 HA THR A 70 -9.057 6.280 -1.483 1.00 0.00 H new ATOM 0 HB THR A 70 -8.336 8.347 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.851 8.420 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.387 7.166 0.831 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.729 6.047 0.495 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.344 6.135 -0.618 1.00 0.00 H new ATOM 908 N ASP A 71 -9.357 8.961 -3.251 1.00 0.00 N ATOM 909 CA ASP A 71 -10.351 9.830 -3.929 1.00 0.00 C ATOM 910 C ASP A 71 -11.449 9.017 -4.655 1.00 0.00 C ATOM 911 O ASP A 71 -12.585 9.441 -4.729 1.00 0.00 O ATOM 912 CB ASP A 71 -9.616 10.762 -4.898 1.00 0.00 C ATOM 913 CG ASP A 71 -10.543 11.818 -5.512 1.00 0.00 C ATOM 914 OD1 ASP A 71 -10.867 12.781 -4.793 1.00 0.00 O ATOM 915 OD2 ASP A 71 -10.851 11.637 -6.707 1.00 0.00 O ATOM 0 H ASP A 71 -8.404 9.085 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.867 10.420 -3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.802 11.260 -4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.166 10.171 -5.695 1.00 0.00 H new ATOM 921 N GLU A 72 -11.072 7.818 -5.098 1.00 0.00 N ATOM 922 CA GLU A 72 -11.954 6.858 -5.793 1.00 0.00 C ATOM 923 C GLU A 72 -12.589 5.830 -4.834 1.00 0.00 C ATOM 924 O GLU A 72 -13.381 4.975 -5.237 1.00 0.00 O ATOM 925 CB GLU A 72 -11.031 6.102 -6.753 1.00 0.00 C ATOM 926 CG GLU A 72 -11.558 6.053 -8.176 1.00 0.00 C ATOM 927 CD GLU A 72 -10.523 5.346 -9.061 1.00 0.00 C ATOM 928 OE1 GLU A 72 -9.503 5.987 -9.386 1.00 0.00 O ATOM 929 OE2 GLU A 72 -10.710 4.119 -9.283 1.00 0.00 O ATOM 0 H GLU A 72 -10.120 7.470 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.774 7.389 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.050 6.576 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.893 5.084 -6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.509 5.521 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.744 7.062 -8.545 1.00 0.00 H new ATOM 937 N ALA A 73 -12.203 5.916 -3.565 1.00 0.00 N ATOM 938 CA ALA A 73 -12.593 4.957 -2.515 1.00 0.00 C ATOM 939 C ALA A 73 -12.833 5.595 -1.117 1.00 0.00 C ATOM 940 O ALA A 73 -12.093 5.327 -0.161 1.00 0.00 O ATOM 941 CB ALA A 73 -11.530 3.853 -2.472 1.00 0.00 C ATOM 0 H ALA A 73 -11.600 6.664 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.568 4.544 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.791 3.126 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.483 3.355 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.559 4.292 -2.242 1.00 0.00 H new ATOM 947 N PRO A 74 -13.953 6.316 -0.956 1.00 0.00 N ATOM 948 CA PRO A 74 -14.316 6.933 0.337 1.00 0.00 C ATOM 949 C PRO A 74 -14.566 5.913 1.457 1.00 0.00 C ATOM 950 O PRO A 74 -13.846 5.951 2.454 1.00 0.00 O ATOM 951 CB PRO A 74 -15.537 7.818 0.056 1.00 0.00 C ATOM 952 CG PRO A 74 -16.110 7.323 -1.270 1.00 0.00 C ATOM 953 CD PRO A 74 -14.926 6.680 -2.006 1.00 0.00 C ATOM 0 HA PRO A 74 -13.483 7.522 0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -16.273 7.735 0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -15.253 8.868 -0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.911 6.602 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.533 8.145 -1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.244 5.801 -2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.487 7.374 -2.723 1.00 0.00 H new ATOM 961 N GLY A 75 -15.272 4.840 1.117 1.00 0.00 N ATOM 962 CA GLY A 75 -15.671 3.733 2.007 1.00 0.00 C ATOM 963 C GLY A 75 -14.492 2.950 2.597 1.00 0.00 C ATOM 964 O GLY A 75 -14.457 2.672 3.792 1.00 0.00 O ATOM 0 H GLY A 75 -15.604 4.703 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.271 4.135 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.308 3.045 1.451 1.00 0.00 H new ATOM 968 N ILE A 76 -13.509 2.639 1.749 1.00 0.00 N ATOM 969 CA ILE A 76 -12.264 1.984 2.182 1.00 0.00 C ATOM 970 C ILE A 76 -11.525 2.872 3.181 1.00 0.00 C ATOM 971 O ILE A 76 -11.335 2.486 4.334 1.00 0.00 O ATOM 972 CB ILE A 76 -11.412 1.642 0.940 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.176 0.757 -0.058 1.00 0.00 C ATOM 974 CG2 ILE A 76 -10.082 0.995 1.322 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.813 -0.489 0.562 1.00 0.00 C ATOM 0 H ILE A 76 -13.549 2.831 0.748 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.484 1.049 2.698 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.195 2.589 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.957 1.353 -0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.492 0.446 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.514 0.771 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.511 1.680 1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.271 0.072 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.331 -1.056 -0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.037 -1.110 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.525 -0.189 1.331 1.00 0.00 H new ATOM 987 N ALA A 77 -11.308 4.118 2.770 1.00 0.00 N ATOM 988 CA ALA A 77 -10.692 5.131 3.622 1.00 0.00 C ATOM 989 C ALA A 77 -11.366 5.300 4.999 1.00 0.00 C ATOM 990 O ALA A 77 -10.665 5.289 6.008 1.00 0.00 O ATOM 991 CB ALA A 77 -10.636 6.469 2.875 1.00 0.00 C ATOM 0 H ALA A 77 -11.554 4.454 1.839 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.684 4.778 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.176 7.223 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.046 6.354 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.647 6.783 2.614 1.00 0.00 H new ATOM 997 N THR A 78 -12.692 5.207 5.003 1.00 0.00 N ATOM 998 CA THR A 78 -13.500 5.190 6.241 1.00 0.00 C ATOM 999 C THR A 78 -13.153 3.964 7.104 1.00 0.00 C ATOM 1000 O THR A 78 -12.562 4.076 8.175 1.00 0.00 O ATOM 1001 CB THR A 78 -14.946 5.063 5.843 1.00 0.00 C ATOM 1002 OG1 THR A 78 -15.241 6.061 4.863 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.955 5.125 6.988 1.00 0.00 C ATOM 0 H THR A 78 -13.248 5.141 4.151 1.00 0.00 H new ATOM 0 HA THR A 78 -13.302 6.100 6.807 1.00 0.00 H new ATOM 0 HB THR A 78 -15.061 4.056 5.441 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.810 5.825 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.964 5.024 6.589 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.759 4.315 7.690 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.863 6.081 7.503 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.409 2.806 6.513 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.326 1.499 7.157 1.00 0.00 C ATOM 1013 C GLN A 79 -11.971 1.208 7.821 1.00 0.00 C ATOM 1014 O GLN A 79 -11.892 0.583 8.873 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.607 0.456 6.064 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.825 -0.957 6.593 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.766 -1.701 5.651 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.985 -1.577 5.712 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -14.235 -2.459 4.717 1.00 0.00 N ATOM 0 H GLN A 79 -13.691 2.747 5.535 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.051 1.468 7.970 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.490 0.762 5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.772 0.445 5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.873 -1.482 6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.248 -0.922 7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.222 -2.566 4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.836 -2.940 4.048 1.00 0.00 H new ATOM 1028 N TYR A 80 -10.932 1.755 7.202 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.545 1.580 7.650 1.00 0.00 C ATOM 1030 C TYR A 80 -8.936 2.761 8.401 1.00 0.00 C ATOM 1031 O TYR A 80 -7.787 2.680 8.853 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.728 1.209 6.399 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.182 -0.144 5.831 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.161 -1.287 6.652 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.942 -0.115 4.643 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -9.962 -2.393 6.321 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.748 -1.218 4.303 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.752 -2.332 5.163 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.482 -3.425 4.825 1.00 0.00 O ATOM 0 H TYR A 80 -11.023 2.337 6.369 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.527 0.794 8.405 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.844 1.984 5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.668 1.165 6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.533 -1.314 7.531 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.906 0.750 3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.969 -3.274 6.946 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.348 -1.210 3.405 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.731 -3.915 5.636 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.731 3.827 8.593 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.322 5.088 9.251 1.00 0.00 C ATOM 1051 C ASN A 81 -7.896 5.519 8.917 1.00 0.00 C ATOM 1052 O ASN A 81 -7.117 6.023 9.734 1.00 0.00 O ATOM 1053 CB ASN A 81 -9.600 5.006 10.763 1.00 0.00 C ATOM 1054 CG ASN A 81 -11.110 5.037 11.010 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -11.783 6.054 10.866 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -11.686 3.881 11.231 1.00 0.00 N ATOM 0 H ASN A 81 -10.704 3.840 8.288 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.936 5.890 8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.173 4.090 11.172 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.120 5.839 11.277 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.703 3.820 11.285 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.118 3.042 11.349 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.677 5.508 7.609 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.342 5.746 6.992 1.00 0.00 C ATOM 1065 C ILE A 82 -5.833 7.178 6.917 1.00 0.00 C ATOM 1066 O ILE A 82 -4.729 7.383 6.436 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.226 5.032 5.634 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -7.256 5.448 4.587 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.192 3.514 5.784 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.990 6.855 4.055 1.00 0.00 C ATOM 0 H ILE A 82 -8.414 5.334 6.926 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.661 5.301 7.717 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.266 5.373 5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.240 4.738 3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.254 5.407 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.110 3.053 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.334 3.228 6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.108 3.176 6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.745 7.112 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.032 7.569 4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.003 6.889 3.595 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.642 8.098 7.424 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.433 9.566 7.480 1.00 0.00 C ATOM 1084 C ARG A 83 -5.002 10.087 7.679 1.00 0.00 C ATOM 1085 O ARG A 83 -4.608 11.072 7.049 1.00 0.00 O ATOM 1086 CB ARG A 83 -7.398 10.149 8.526 1.00 0.00 C ATOM 1087 CG ARG A 83 -7.367 9.435 9.899 1.00 0.00 C ATOM 1088 CD ARG A 83 -8.675 9.636 10.666 1.00 0.00 C ATOM 1089 NE ARG A 83 -9.719 8.755 10.099 1.00 0.00 N ATOM 1090 CZ ARG A 83 -10.680 9.108 9.231 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -10.967 10.374 8.971 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -11.484 8.160 8.755 1.00 0.00 N ATOM 0 H ARG A 83 -7.534 7.833 7.843 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.647 9.920 6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.160 11.202 8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.413 10.104 8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.190 8.369 9.752 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.535 9.817 10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.528 9.411 11.722 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.990 10.678 10.603 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.708 7.780 10.398 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.451 11.120 9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.705 10.603 8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.362 7.192 9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.222 8.402 8.094 1.00 0.00 H new ATOM 1106 N SER A 84 -4.198 9.263 8.327 1.00 0.00 N ATOM 1107 CA SER A 84 -2.782 9.586 8.625 1.00 0.00 C ATOM 1108 C SER A 84 -1.839 8.939 7.596 1.00 0.00 C ATOM 1109 O SER A 84 -1.058 8.021 7.888 1.00 0.00 O ATOM 1110 CB SER A 84 -2.477 9.178 10.072 1.00 0.00 C ATOM 1111 OG SER A 84 -1.104 9.408 10.384 1.00 0.00 O ATOM 0 H SER A 84 -4.492 8.348 8.668 1.00 0.00 H new ATOM 0 HA SER A 84 -2.612 10.659 8.538 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.110 9.744 10.755 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.716 8.124 10.216 1.00 0.00 H new ATOM 0 HG SER A 84 -0.930 9.143 11.311 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.842 9.573 6.427 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.073 9.191 5.231 1.00 0.00 C ATOM 1119 C ILE A 85 0.401 9.631 5.444 1.00 0.00 C ATOM 1120 O ILE A 85 0.592 10.801 5.783 1.00 0.00 O ATOM 1121 CB ILE A 85 -1.756 9.861 4.018 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.208 9.389 3.828 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -0.945 9.803 2.708 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.390 7.904 3.475 1.00 0.00 C ATOM 0 H ILE A 85 -2.406 10.409 6.273 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.056 8.116 5.050 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.789 10.920 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.760 9.595 4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.664 9.988 3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.503 10.298 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.011 10.308 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.769 8.763 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.452 7.684 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.875 7.687 2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.972 7.287 4.270 1.00 0.00 H new ATOM 1136 N PRO A 86 1.404 8.770 5.157 1.00 0.00 N ATOM 1137 CA PRO A 86 1.324 7.411 4.568 1.00 0.00 C ATOM 1138 C PRO A 86 0.715 6.337 5.457 1.00 0.00 C ATOM 1139 O PRO A 86 1.136 6.121 6.585 1.00 0.00 O ATOM 1140 CB PRO A 86 2.768 6.995 4.287 1.00 0.00 C ATOM 1141 CG PRO A 86 3.540 8.299 4.277 1.00 0.00 C ATOM 1142 CD PRO A 86 2.820 9.167 5.295 1.00 0.00 C ATOM 0 HA PRO A 86 0.671 7.478 3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.143 6.317 5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.853 6.475 3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.584 8.146 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.534 8.757 3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.189 8.989 6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.960 10.228 5.087 1.00 0.00 H new ATOM 1150 N THR A 87 -0.206 5.604 4.848 1.00 0.00 N ATOM 1151 CA THR A 87 -0.832 4.461 5.522 1.00 0.00 C ATOM 1152 C THR A 87 -0.689 3.228 4.638 1.00 0.00 C ATOM 1153 O THR A 87 -1.067 3.231 3.465 1.00 0.00 O ATOM 1154 CB THR A 87 -2.309 4.714 5.817 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.473 6.114 6.016 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.719 3.953 7.087 1.00 0.00 C ATOM 0 H THR A 87 -0.538 5.772 3.898 1.00 0.00 H new ATOM 0 HA THR A 87 -0.328 4.308 6.476 1.00 0.00 H new ATOM 0 HB THR A 87 -2.933 4.370 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.381 6.295 6.336 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.773 4.135 7.296 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.557 2.885 6.940 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.118 4.298 7.928 1.00 0.00 H new ATOM 1164 N VAL A 88 0.020 2.260 5.196 1.00 0.00 N ATOM 1165 CA VAL A 88 0.262 0.985 4.510 1.00 0.00 C ATOM 1166 C VAL A 88 -0.282 -0.124 5.410 1.00 0.00 C ATOM 1167 O VAL A 88 0.005 -0.189 6.600 1.00 0.00 O ATOM 1168 CB VAL A 88 1.750 0.740 4.188 1.00 0.00 C ATOM 1169 CG1 VAL A 88 1.923 -0.466 3.253 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.403 1.949 3.518 1.00 0.00 C ATOM 0 H VAL A 88 0.441 2.326 6.123 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.244 1.003 3.545 1.00 0.00 H new ATOM 0 HB VAL A 88 2.236 0.552 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.982 -0.615 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.519 -1.358 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.391 -0.282 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.450 1.729 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.887 2.170 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.338 2.812 4.181 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.185 -0.885 4.816 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.810 -2.023 5.503 1.00 0.00 C ATOM 1182 C LEU A 89 -1.264 -3.357 4.988 1.00 0.00 C ATOM 1183 O LEU A 89 -0.957 -3.526 3.806 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.343 -2.007 5.442 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.981 -1.068 6.463 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.842 0.410 6.088 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.467 -1.409 6.578 1.00 0.00 C ATOM 0 H LEU A 89 -1.508 -0.743 3.859 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.540 -1.915 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.656 -1.710 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.716 -3.018 5.606 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.458 -1.212 7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.315 1.026 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.786 0.669 6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.326 0.589 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.937 -0.746 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.946 -1.281 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.579 -2.443 6.905 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.108 -4.236 5.959 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.531 -5.575 5.787 1.00 0.00 C ATOM 1201 C PHE A 90 -1.594 -6.599 6.166 1.00 0.00 C ATOM 1202 O PHE A 90 -2.235 -6.525 7.218 1.00 0.00 O ATOM 1203 CB PHE A 90 0.713 -5.767 6.672 1.00 0.00 C ATOM 1204 CG PHE A 90 1.796 -4.726 6.436 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.657 -3.441 7.016 1.00 0.00 C ATOM 1206 CD2 PHE A 90 2.804 -4.998 5.497 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.517 -2.401 6.589 1.00 0.00 C ATOM 1208 CE2 PHE A 90 3.671 -3.966 5.087 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.505 -2.674 5.623 1.00 0.00 C ATOM 0 H PHE A 90 -1.384 -4.042 6.922 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.220 -5.702 4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.412 -5.735 7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.128 -6.758 6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.907 -3.258 7.771 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.914 -5.993 5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.417 -1.407 7.000 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.454 -4.163 4.370 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.149 -1.875 5.286 1.00 0.00 H new ATOM 1219 N PHE A 91 -1.959 -7.247 5.077 1.00 0.00 N ATOM 1220 CA PHE A 91 -2.930 -8.328 4.997 1.00 0.00 C ATOM 1221 C PHE A 91 -2.211 -9.632 4.699 1.00 0.00 C ATOM 1222 O PHE A 91 -1.154 -9.686 4.064 1.00 0.00 O ATOM 1223 CB PHE A 91 -3.901 -8.073 3.848 1.00 0.00 C ATOM 1224 CG PHE A 91 -4.778 -6.837 4.038 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.348 -5.591 3.533 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.061 -7.002 4.602 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.218 -4.493 3.596 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -6.933 -5.896 4.671 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.501 -4.657 4.160 1.00 0.00 C ATOM 0 H PHE A 91 -1.562 -7.020 4.165 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.465 -8.382 5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.334 -7.965 2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.543 -8.946 3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.363 -5.485 3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.372 -7.966 4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.909 -3.530 3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.915 -5.997 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.169 -3.810 4.201 1.00 0.00 H new ATOM 1239 N LYS A 92 -2.858 -10.683 5.172 1.00 0.00 N ATOM 1240 CA LYS A 92 -2.471 -12.036 4.787 1.00 0.00 C ATOM 1241 C LYS A 92 -3.379 -12.434 3.612 1.00 0.00 C ATOM 1242 O LYS A 92 -3.440 -11.689 2.630 1.00 0.00 O ATOM 1243 CB LYS A 92 -2.537 -12.952 6.008 1.00 0.00 C ATOM 1244 CG LYS A 92 -1.812 -14.249 5.662 1.00 0.00 C ATOM 1245 CD LYS A 92 -1.771 -15.188 6.855 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.829 -16.350 6.534 1.00 0.00 C ATOM 1247 NZ LYS A 92 0.524 -15.822 6.304 1.00 0.00 N ATOM 0 H LYS A 92 -3.646 -10.631 5.817 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.439 -12.115 4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.072 -12.473 6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.574 -13.155 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.314 -14.738 4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.796 -14.026 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.427 -14.657 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.771 -15.562 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.819 -17.065 7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.179 -16.885 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.221 -16.440 6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.714 -15.788 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.595 -14.863 6.701 1.00 0.00 H new ATOM 1261 N ASN A 93 -4.345 -13.293 3.884 1.00 0.00 N ATOM 1262 CA ASN A 93 -5.272 -13.790 2.842 1.00 0.00 C ATOM 1263 C ASN A 93 -6.616 -13.107 3.074 1.00 0.00 C ATOM 1264 O ASN A 93 -7.441 -13.572 3.865 1.00 0.00 O ATOM 1265 CB ASN A 93 -5.337 -15.309 2.885 1.00 0.00 C ATOM 1266 CG ASN A 93 -3.932 -15.883 2.684 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -3.081 -15.359 1.968 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -3.601 -16.883 3.465 1.00 0.00 N ATOM 0 H ASN A 93 -4.521 -13.671 4.815 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.933 -13.545 1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.744 -15.640 3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.007 -15.678 2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.640 -17.224 3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.305 -17.320 4.060 1.00 0.00 H new ATOM 1275 N GLY A 94 -6.566 -11.844 2.669 1.00 0.00 N ATOM 1276 CA GLY A 94 -7.620 -10.846 2.924 1.00 0.00 C ATOM 1277 C GLY A 94 -7.922 -10.647 4.418 1.00 0.00 C ATOM 1278 O GLY A 94 -8.984 -10.196 4.814 1.00 0.00 O ATOM 0 H GLY A 94 -5.778 -11.468 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.319 -9.892 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.533 -11.154 2.414 1.00 0.00 H new ATOM 1282 N GLU A 95 -6.874 -10.788 5.219 1.00 0.00 N ATOM 1283 CA GLU A 95 -6.996 -10.672 6.683 1.00 0.00 C ATOM 1284 C GLU A 95 -6.004 -9.605 7.095 1.00 0.00 C ATOM 1285 O GLU A 95 -4.827 -9.757 6.801 1.00 0.00 O ATOM 1286 CB GLU A 95 -6.584 -11.981 7.355 1.00 0.00 C ATOM 1287 CG GLU A 95 -7.493 -13.140 6.956 1.00 0.00 C ATOM 1288 CD GLU A 95 -6.748 -14.452 7.184 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -7.036 -15.088 8.209 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -5.809 -14.717 6.379 1.00 0.00 O ATOM 0 H GLU A 95 -5.928 -10.982 4.890 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.021 -10.437 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.555 -12.218 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.610 -11.856 8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.410 -13.120 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.784 -13.048 5.910 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.434 -8.728 7.984 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.592 -7.579 8.327 1.00 0.00 C ATOM 1300 C ARG A 96 -4.786 -7.866 9.604 1.00 0.00 C ATOM 1301 O ARG A 96 -5.337 -8.199 10.656 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.475 -6.344 8.495 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.603 -5.101 8.577 1.00 0.00 C ATOM 1304 CD ARG A 96 -6.230 -4.118 9.551 1.00 0.00 C ATOM 1305 NE ARG A 96 -5.160 -3.411 10.280 1.00 0.00 N ATOM 1306 CZ ARG A 96 -4.527 -3.849 11.382 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -4.770 -5.029 11.932 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -3.601 -3.085 11.942 1.00 0.00 N ATOM 0 H ARG A 96 -7.329 -8.777 8.471 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.878 -7.395 7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.166 -6.261 7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.079 -6.437 9.397 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.598 -5.367 8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.505 -4.644 7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.855 -3.404 9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.878 -4.645 10.252 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.873 -2.504 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.465 -5.651 11.519 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.262 -5.316 12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.376 -2.176 11.537 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.113 -3.405 12.779 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.492 -7.623 9.456 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.478 -8.012 10.450 1.00 0.00 C ATOM 1324 C LYS A 97 -1.827 -6.808 11.142 1.00 0.00 C ATOM 1325 O LYS A 97 -1.756 -6.757 12.372 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.352 -8.814 9.767 1.00 0.00 C ATOM 1327 CG LYS A 97 -1.807 -9.755 8.638 1.00 0.00 C ATOM 1328 CD LYS A 97 -2.756 -10.870 9.063 1.00 0.00 C ATOM 1329 CE LYS A 97 -2.112 -11.913 9.993 1.00 0.00 C ATOM 1330 NZ LYS A 97 -3.154 -12.853 10.423 1.00 0.00 N ATOM 0 H LYS A 97 -3.104 -7.148 8.641 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.001 -8.606 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.623 -8.112 9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.838 -9.405 10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.294 -9.160 7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.924 -10.205 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.616 -10.430 9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.132 -11.374 8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.313 -12.443 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.661 -11.425 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.738 -13.568 11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.900 -12.336 10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.563 -13.323 9.590 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.404 -5.849 10.330 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.576 -4.718 10.756 1.00 0.00 C ATOM 1346 C GLU A 98 -0.880 -3.483 9.900 1.00 0.00 C ATOM 1347 O GLU A 98 -1.156 -3.590 8.699 1.00 0.00 O ATOM 1348 CB GLU A 98 0.889 -5.196 10.605 1.00 0.00 C ATOM 1349 CG GLU A 98 1.991 -4.205 11.000 1.00 0.00 C ATOM 1350 CD GLU A 98 1.880 -3.713 12.448 1.00 0.00 C ATOM 1351 OE1 GLU A 98 1.391 -2.574 12.594 1.00 0.00 O ATOM 1352 OE2 GLU A 98 2.297 -4.455 13.363 1.00 0.00 O ATOM 0 H GLU A 98 -1.629 -5.831 9.335 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.775 -4.419 11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.014 -6.098 11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.047 -5.480 9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.962 -4.679 10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.955 -3.347 10.329 1.00 0.00 H new ATOM 1360 N SER A 99 -0.927 -2.341 10.562 1.00 0.00 N ATOM 1361 CA SER A 99 -1.170 -1.041 9.910 1.00 0.00 C ATOM 1362 C SER A 99 -0.097 -0.011 10.265 1.00 0.00 C ATOM 1363 O SER A 99 -0.024 0.503 11.390 1.00 0.00 O ATOM 1364 CB SER A 99 -2.550 -0.478 10.262 1.00 0.00 C ATOM 1365 OG SER A 99 -2.645 -0.302 11.679 1.00 0.00 O ATOM 0 H SER A 99 -0.799 -2.276 11.572 1.00 0.00 H new ATOM 0 HA SER A 99 -1.129 -1.230 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.706 0.474 9.755 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.330 -1.156 9.916 1.00 0.00 H new ATOM 0 HG SER A 99 -1.799 0.054 12.022 1.00 0.00 H new ATOM 1371 N ILE A 100 0.693 0.299 9.253 1.00 0.00 N ATOM 1372 CA ILE A 100 1.741 1.328 9.318 1.00 0.00 C ATOM 1373 C ILE A 100 1.102 2.702 9.042 1.00 0.00 C ATOM 1374 O ILE A 100 0.551 2.938 7.976 1.00 0.00 O ATOM 1375 CB ILE A 100 2.872 0.866 8.376 1.00 0.00 C ATOM 1376 CG1 ILE A 100 4.083 0.385 9.182 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.301 1.846 7.293 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.785 -0.891 9.982 1.00 0.00 C ATOM 0 H ILE A 100 0.632 -0.159 8.344 1.00 0.00 H new ATOM 0 HA ILE A 100 2.204 1.454 10.297 1.00 0.00 H new ATOM 0 HB ILE A 100 2.428 0.041 7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.916 0.199 8.504 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.398 1.174 9.865 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.101 1.404 6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.451 2.070 6.648 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.658 2.766 7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.675 -1.190 10.535 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.970 -0.700 10.681 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.497 -1.690 9.299 1.00 0.00 H new ATOM 1390 N ILE A 101 0.827 3.348 10.171 1.00 0.00 N ATOM 1391 CA ILE A 101 0.261 4.708 10.214 1.00 0.00 C ATOM 1392 C ILE A 101 1.432 5.711 10.303 1.00 0.00 C ATOM 1393 O ILE A 101 2.263 5.602 11.202 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.624 4.821 11.477 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.594 3.634 11.712 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -1.362 6.149 11.507 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -2.586 3.317 10.579 1.00 0.00 C ATOM 0 H ILE A 101 0.989 2.946 11.094 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.337 4.918 9.327 1.00 0.00 H new ATOM 0 HB ILE A 101 0.074 4.775 12.313 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.999 2.741 11.903 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.165 3.836 12.618 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.977 6.203 12.405 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.641 6.966 11.511 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.998 6.232 10.626 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.207 2.468 10.866 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.220 4.185 10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.035 3.073 9.671 1.00 0.00 H new ATOM 1409 N GLY A 102 1.594 6.491 9.237 1.00 0.00 N ATOM 1410 CA GLY A 102 2.621 7.546 9.108 1.00 0.00 C ATOM 1411 C GLY A 102 4.018 7.028 8.732 1.00 0.00 C ATOM 1412 O GLY A 102 4.722 7.608 7.909 1.00 0.00 O ATOM 0 H GLY A 102 1.002 6.412 8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.297 8.262 8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.689 8.087 10.052 1.00 0.00 H new ATOM 1416 N ALA A 103 4.404 5.931 9.381 1.00 0.00 N ATOM 1417 CA ALA A 103 5.722 5.284 9.238 1.00 0.00 C ATOM 1418 C ALA A 103 5.977 4.699 7.857 1.00 0.00 C ATOM 1419 O ALA A 103 5.486 3.650 7.469 1.00 0.00 O ATOM 1420 CB ALA A 103 5.910 4.213 10.323 1.00 0.00 C ATOM 0 H ALA A 103 3.796 5.448 10.042 1.00 0.00 H new ATOM 0 HA ALA A 103 6.463 6.073 9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.887 3.744 10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.846 4.677 11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.130 3.457 10.227 1.00 0.00 H new ATOM 1426 N VAL A 104 6.790 5.426 7.107 1.00 0.00 N ATOM 1427 CA VAL A 104 7.252 5.010 5.772 1.00 0.00 C ATOM 1428 C VAL A 104 8.752 4.614 5.604 1.00 0.00 C ATOM 1429 O VAL A 104 9.159 4.403 4.462 1.00 0.00 O ATOM 1430 CB VAL A 104 6.721 6.065 4.779 1.00 0.00 C ATOM 1431 CG1 VAL A 104 7.474 7.397 4.875 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.644 5.563 3.335 1.00 0.00 C ATOM 0 H VAL A 104 7.157 6.331 7.401 1.00 0.00 H new ATOM 0 HA VAL A 104 6.833 4.027 5.558 1.00 0.00 H new ATOM 0 HB VAL A 104 5.693 6.252 5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.059 8.102 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.369 7.803 5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.530 7.235 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.262 6.357 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.638 5.271 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.976 4.703 3.284 1.00 0.00 H new ATOM 1442 N PRO A 105 9.592 4.461 6.660 1.00 0.00 N ATOM 1443 CA PRO A 105 10.941 3.894 6.478 1.00 0.00 C ATOM 1444 C PRO A 105 10.841 2.445 6.028 1.00 0.00 C ATOM 1445 O PRO A 105 10.260 1.581 6.685 1.00 0.00 O ATOM 1446 CB PRO A 105 11.682 4.046 7.818 1.00 0.00 C ATOM 1447 CG PRO A 105 10.573 4.331 8.825 1.00 0.00 C ATOM 1448 CD PRO A 105 9.538 5.076 7.991 1.00 0.00 C ATOM 0 HA PRO A 105 11.497 4.417 5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.231 3.140 8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.407 4.859 7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 105 10.166 3.413 9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.930 4.935 9.659 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.543 4.984 8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.766 6.141 7.941 1.00 0.00 H new ATOM 1456 N LYS A 106 11.423 2.256 4.857 1.00 0.00 N ATOM 1457 CA LYS A 106 11.425 0.999 4.081 1.00 0.00 C ATOM 1458 C LYS A 106 11.615 -0.267 4.931 1.00 0.00 C ATOM 1459 O LYS A 106 10.743 -1.131 4.961 1.00 0.00 O ATOM 1460 CB LYS A 106 12.491 1.132 2.982 1.00 0.00 C ATOM 1461 CG LYS A 106 12.235 0.260 1.738 1.00 0.00 C ATOM 1462 CD LYS A 106 12.729 -1.186 1.861 1.00 0.00 C ATOM 1463 CE LYS A 106 14.252 -1.282 1.710 1.00 0.00 C ATOM 1464 NZ LYS A 106 14.658 -2.685 1.836 1.00 0.00 N ATOM 0 H LYS A 106 11.935 3.002 4.387 1.00 0.00 H new ATOM 0 HA LYS A 106 10.437 0.861 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.549 2.176 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.462 0.869 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.165 0.248 1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.720 0.724 0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.434 -1.590 2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.249 -1.800 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 106 14.560 -0.887 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 106 14.744 -0.678 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 15.696 -2.744 1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.259 -3.085 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 14.308 -3.223 1.018 1.00 0.00 H new ATOM 1478 N SER A 107 12.605 -0.206 5.828 1.00 0.00 N ATOM 1479 CA SER A 107 12.988 -1.320 6.723 1.00 0.00 C ATOM 1480 C SER A 107 11.892 -1.775 7.702 1.00 0.00 C ATOM 1481 O SER A 107 11.680 -2.970 7.892 1.00 0.00 O ATOM 1482 CB SER A 107 14.243 -0.932 7.492 1.00 0.00 C ATOM 1483 OG SER A 107 14.051 0.353 8.086 1.00 0.00 O ATOM 0 H SER A 107 13.176 0.629 5.960 1.00 0.00 H new ATOM 0 HA SER A 107 13.165 -2.179 6.076 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.456 -1.674 8.262 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.103 -0.912 6.822 1.00 0.00 H new ATOM 0 HG SER A 107 14.856 0.607 8.584 1.00 0.00 H new ATOM 1489 N THR A 108 11.275 -0.818 8.383 1.00 0.00 N ATOM 1490 CA THR A 108 10.119 -1.056 9.273 1.00 0.00 C ATOM 1491 C THR A 108 8.951 -1.739 8.556 1.00 0.00 C ATOM 1492 O THR A 108 8.279 -2.629 9.089 1.00 0.00 O ATOM 1493 CB THR A 108 9.667 0.301 9.836 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.816 1.022 10.302 1.00 0.00 O ATOM 1495 CG2 THR A 108 8.613 0.169 10.940 1.00 0.00 C ATOM 0 H THR A 108 11.558 0.161 8.340 1.00 0.00 H new ATOM 0 HA THR A 108 10.430 -1.732 10.069 1.00 0.00 H new ATOM 0 HB THR A 108 9.184 0.854 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.525 1.813 10.802 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.334 1.160 11.297 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.732 -0.335 10.543 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.022 -0.412 11.766 1.00 0.00 H new ATOM 1503 N LEU A 109 8.694 -1.261 7.357 1.00 0.00 N ATOM 1504 CA LEU A 109 7.724 -1.846 6.418 1.00 0.00 C ATOM 1505 C LEU A 109 8.091 -3.278 5.995 1.00 0.00 C ATOM 1506 O LEU A 109 7.225 -4.141 6.047 1.00 0.00 O ATOM 1507 CB LEU A 109 7.534 -0.946 5.196 1.00 0.00 C ATOM 1508 CG LEU A 109 6.575 0.176 5.592 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.242 1.330 6.338 1.00 0.00 C ATOM 1510 CD2 LEU A 109 5.891 0.756 4.351 1.00 0.00 C ATOM 0 H LEU A 109 9.160 -0.433 6.986 1.00 0.00 H new ATOM 0 HA LEU A 109 6.776 -1.913 6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.490 -0.535 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.131 -1.517 4.359 1.00 0.00 H new ATOM 0 HG LEU A 109 5.857 -0.289 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.495 2.085 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.695 0.956 7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.012 1.774 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.211 1.554 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.645 1.156 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.329 -0.029 3.845 1.00 0.00 H new ATOM 1522 N THR A 110 9.388 -3.537 5.859 1.00 0.00 N ATOM 1523 CA THR A 110 9.899 -4.901 5.576 1.00 0.00 C ATOM 1524 C THR A 110 9.661 -5.829 6.769 1.00 0.00 C ATOM 1525 O THR A 110 9.034 -6.889 6.649 1.00 0.00 O ATOM 1526 CB THR A 110 11.382 -4.912 5.183 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.652 -3.886 4.223 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.711 -6.272 4.582 1.00 0.00 C ATOM 0 H THR A 110 10.117 -2.828 5.938 1.00 0.00 H new ATOM 0 HA THR A 110 9.338 -5.269 4.717 1.00 0.00 H new ATOM 0 HB THR A 110 11.995 -4.728 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.463 -3.010 4.619 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.763 -6.299 4.296 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.515 -7.052 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.091 -6.440 3.701 1.00 0.00 H new ATOM 1536 N ASP A 111 10.005 -5.290 7.927 1.00 0.00 N ATOM 1537 CA ASP A 111 9.773 -5.887 9.255 1.00 0.00 C ATOM 1538 C ASP A 111 8.293 -6.329 9.382 1.00 0.00 C ATOM 1539 O ASP A 111 8.012 -7.510 9.553 1.00 0.00 O ATOM 1540 CB ASP A 111 10.135 -4.784 10.250 1.00 0.00 C ATOM 1541 CG ASP A 111 10.228 -5.278 11.692 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.390 -4.815 12.500 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.146 -6.083 11.967 1.00 0.00 O ATOM 0 H ASP A 111 10.474 -4.386 7.982 1.00 0.00 H new ATOM 0 HA ASP A 111 10.370 -6.782 9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.089 -4.343 9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.388 -3.992 10.192 1.00 0.00 H new ATOM 1549 N SER A 112 7.422 -5.409 8.979 1.00 0.00 N ATOM 1550 CA SER A 112 5.951 -5.582 8.982 1.00 0.00 C ATOM 1551 C SER A 112 5.355 -6.739 8.200 1.00 0.00 C ATOM 1552 O SER A 112 4.347 -7.295 8.630 1.00 0.00 O ATOM 1553 CB SER A 112 5.243 -4.291 8.570 1.00 0.00 C ATOM 1554 OG SER A 112 5.547 -3.280 9.528 1.00 0.00 O ATOM 0 H SER A 112 7.714 -4.496 8.631 1.00 0.00 H new ATOM 0 HA SER A 112 5.769 -5.846 10.024 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.569 -3.981 7.577 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.166 -4.450 8.517 1.00 0.00 H new ATOM 0 HG SER A 112 6.484 -3.009 9.431 1.00 0.00 H new ATOM 1560 N ILE A 113 5.964 -7.086 7.063 1.00 0.00 N ATOM 1561 CA ILE A 113 5.494 -8.284 6.332 1.00 0.00 C ATOM 1562 C ILE A 113 5.936 -9.584 7.005 1.00 0.00 C ATOM 1563 O ILE A 113 5.170 -10.525 7.237 1.00 0.00 O ATOM 1564 CB ILE A 113 5.880 -8.542 4.877 1.00 0.00 C ATOM 1565 CG1 ILE A 113 7.163 -7.890 4.366 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.647 -8.390 4.005 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.995 -6.406 4.085 1.00 0.00 C ATOM 0 H ILE A 113 6.746 -6.588 6.638 1.00 0.00 H new ATOM 0 HA ILE A 113 4.435 -8.026 6.355 1.00 0.00 H new ATOM 0 HB ILE A 113 6.215 -9.577 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.954 -8.029 5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.484 -8.394 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.913 -8.572 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.890 -9.109 4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.252 -7.379 4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.938 -5.995 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.224 -6.264 3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.702 -5.893 5.001 1.00 0.00 H new ATOM 1579 N GLU A 114 7.246 -9.591 7.218 1.00 0.00 N ATOM 1580 CA GLU A 114 8.029 -10.740 7.693 1.00 0.00 C ATOM 1581 C GLU A 114 7.584 -11.212 9.087 1.00 0.00 C ATOM 1582 O GLU A 114 7.688 -12.384 9.420 1.00 0.00 O ATOM 1583 CB GLU A 114 9.512 -10.385 7.634 1.00 0.00 C ATOM 1584 CG GLU A 114 9.856 -9.960 6.209 1.00 0.00 C ATOM 1585 CD GLU A 114 11.372 -9.857 6.043 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.921 -8.837 6.510 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.947 -10.832 5.508 1.00 0.00 O ATOM 0 H GLU A 114 7.822 -8.764 7.060 1.00 0.00 H new ATOM 0 HA GLU A 114 7.849 -11.592 7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.736 -9.579 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.118 -11.241 7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.453 -10.682 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.392 -8.999 5.986 1.00 0.00 H new ATOM 1595 N LYS A 115 6.947 -10.279 9.780 1.00 0.00 N ATOM 1596 CA LYS A 115 6.188 -10.442 11.024 1.00 0.00 C ATOM 1597 C LYS A 115 5.221 -11.641 10.962 1.00 0.00 C ATOM 1598 O LYS A 115 5.213 -12.493 11.846 1.00 0.00 O ATOM 1599 CB LYS A 115 5.449 -9.113 11.091 1.00 0.00 C ATOM 1600 CG LYS A 115 4.667 -8.908 12.393 1.00 0.00 C ATOM 1601 CD LYS A 115 3.967 -7.547 12.407 1.00 0.00 C ATOM 1602 CE LYS A 115 4.958 -6.376 12.468 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.646 -6.333 13.761 1.00 0.00 N ATOM 0 H LYS A 115 6.944 -9.308 9.466 1.00 0.00 H new ATOM 0 HA LYS A 115 6.804 -10.656 11.898 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.168 -8.302 10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.760 -9.048 10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 115 3.928 -9.701 12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.345 -8.980 13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.350 -7.450 11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.296 -7.496 13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.690 -6.473 11.666 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.428 -5.438 12.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.165 -5.436 13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.948 -6.405 14.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.314 -7.128 13.825 1.00 0.00 H new ATOM 1617 N TYR A 116 4.459 -11.696 9.870 1.00 0.00 N ATOM 1618 CA TYR A 116 3.463 -12.754 9.620 1.00 0.00 C ATOM 1619 C TYR A 116 3.898 -13.799 8.592 1.00 0.00 C ATOM 1620 O TYR A 116 3.655 -14.990 8.800 1.00 0.00 O ATOM 1621 CB TYR A 116 2.088 -12.151 9.289 1.00 0.00 C ATOM 1622 CG TYR A 116 2.108 -11.194 8.097 1.00 0.00 C ATOM 1623 CD1 TYR A 116 1.796 -11.708 6.814 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.230 -9.812 8.350 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.585 -10.808 5.760 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.009 -8.921 7.285 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.694 -9.426 6.006 1.00 0.00 C ATOM 1628 OH TYR A 116 1.297 -8.564 5.040 1.00 0.00 O ATOM 0 H TYR A 116 4.511 -11.004 9.123 1.00 0.00 H new ATOM 0 HA TYR A 116 3.378 -13.309 10.554 1.00 0.00 H new ATOM 0 HB2 TYR A 116 1.387 -12.959 9.083 1.00 0.00 H new ATOM 0 HB3 TYR A 116 1.714 -11.620 10.164 1.00 0.00 H new ATOM 0 HD1 TYR A 116 1.722 -12.773 6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.486 -9.448 9.334 1.00 0.00 H new ATOM 0 HE1 TYR A 116 1.342 -11.170 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.080 -7.855 7.445 1.00 0.00 H new ATOM 0 HH TYR A 116 0.455 -8.877 4.648 1.00 0.00 H new ATOM 1638 N LEU A 117 4.513 -13.373 7.479 1.00 0.00 N ATOM 1639 CA LEU A 117 5.125 -14.330 6.535 1.00 0.00 C ATOM 1640 C LEU A 117 6.539 -14.687 7.019 1.00 0.00 C ATOM 1641 O LEU A 117 7.574 -14.492 6.399 1.00 0.00 O ATOM 1642 CB LEU A 117 4.981 -13.978 5.042 1.00 0.00 C ATOM 1643 CG LEU A 117 5.357 -12.550 4.610 1.00 0.00 C ATOM 1644 CD1 LEU A 117 6.835 -12.430 4.218 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.493 -12.193 3.405 1.00 0.00 C ATOM 0 H LEU A 117 4.601 -12.393 7.210 1.00 0.00 H new ATOM 0 HA LEU A 117 4.537 -15.248 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.595 -14.675 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.945 -14.155 4.753 1.00 0.00 H new ATOM 0 HG LEU A 117 5.189 -11.875 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.050 -11.404 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.460 -12.700 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.046 -13.101 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.734 -11.184 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.686 -12.898 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.441 -12.241 3.685 1.00 0.00 H new TER 1657 LEU A 117