USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.8!) USER MOD Single : A 4 GLN : amide:sc= -0.023 X(o=-0.023,f=-0.46) USER MOD Single : A 6 GLN : amide:sc= -0.275 X(o=-0.27,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.21) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 159:sc= -1.14 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.589 K(o=-0.59,f=-4.4!) USER MOD Single : A 27 ASN : amide:sc= -0.617 X(o=-0.62,f=-0.19) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 31 ASN : amide:sc= -0.846! C(o=-0.85!,f=-4.4!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.55 K(o=-1.6,f=-3.6!) USER MOD Single : A 48 TYR OH : rot -123:sc= -0.561 USER MOD Single : A 50 MET CE :methyl -161:sc= -5.08! (180deg=-5.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 61 HIS : no HD1:sc= -14.7! C(o=-15!,f=-20!) USER MOD Single : A 65 TYR OH : rot 154:sc= -2.22! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 100:sc= -0.542 USER MOD Single : A 77 MET CE :methyl -152:sc= -5.14! (180deg=-8.27!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.45! C(o=-1.4!,f=-5.2!) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.242 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0341 USER MOD Single : A 100 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.024 -1.983 14.634 1.00 0.00 N ATOM 2 CA MET A 1 -17.572 -1.609 15.927 1.00 0.00 C ATOM 3 C MET A 1 -16.568 -0.778 16.729 1.00 0.00 C ATOM 4 O MET A 1 -15.650 -1.325 17.338 1.00 0.00 O ATOM 5 CB MET A 1 -17.933 -2.872 16.712 1.00 0.00 C ATOM 6 CG MET A 1 -19.350 -3.341 16.376 1.00 0.00 C ATOM 7 SD MET A 1 -19.409 -5.124 16.337 1.00 0.00 S ATOM 8 CE MET A 1 -20.869 -5.364 15.338 1.00 0.00 C ATOM 0 H1 MET A 1 -17.724 -2.546 14.110 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.794 -1.125 14.093 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.161 -2.546 14.773 1.00 0.00 H new ATOM 0 HA MET A 1 -18.464 -1.005 15.762 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.220 -3.664 16.482 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.856 -2.674 17.781 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.053 -2.962 17.118 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.656 -2.938 15.411 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.053 -6.431 15.213 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.726 -4.903 15.829 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.721 -4.904 14.361 1.00 0.00 H new ATOM 18 N GLN A 2 -16.777 0.530 16.703 1.00 0.00 N ATOM 19 CA GLN A 2 -15.902 1.442 17.420 1.00 0.00 C ATOM 20 C GLN A 2 -14.496 1.412 16.817 1.00 0.00 C ATOM 21 O GLN A 2 -13.563 0.901 17.434 1.00 0.00 O ATOM 22 CB GLN A 2 -15.866 1.108 18.912 1.00 0.00 C ATOM 23 CG GLN A 2 -16.688 2.114 19.719 1.00 0.00 C ATOM 24 CD GLN A 2 -15.920 3.424 19.907 1.00 0.00 C ATOM 25 OE1 GLN A 2 -15.181 3.870 19.045 1.00 0.00 O ATOM 26 NE2 GLN A 2 -16.134 4.014 21.080 1.00 0.00 N ATOM 0 H GLN A 2 -17.540 0.980 16.197 1.00 0.00 H new ATOM 0 HA GLN A 2 -16.299 2.452 17.317 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.255 0.103 19.073 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.834 1.110 19.264 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -17.631 2.311 19.209 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.935 1.690 20.692 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -16.765 3.587 21.758 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -15.667 4.893 21.301 1.00 0.00 H new ATOM 35 N GLU A 3 -14.389 1.966 15.618 1.00 0.00 N ATOM 36 CA GLU A 3 -13.112 2.010 14.925 1.00 0.00 C ATOM 37 C GLU A 3 -13.014 3.277 14.073 1.00 0.00 C ATOM 38 O GLU A 3 -14.030 3.827 13.653 1.00 0.00 O ATOM 39 CB GLU A 3 -12.909 0.757 14.071 1.00 0.00 C ATOM 40 CG GLU A 3 -13.937 0.693 12.939 1.00 0.00 C ATOM 41 CD GLU A 3 -13.471 -0.251 11.828 1.00 0.00 C ATOM 42 OE1 GLU A 3 -13.425 -1.470 12.101 1.00 0.00 O ATOM 43 OE2 GLU A 3 -13.170 0.268 10.731 1.00 0.00 O ATOM 0 H GLU A 3 -15.165 2.388 15.109 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.317 2.035 15.670 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.902 0.756 13.653 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.995 -0.132 14.696 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.895 0.353 13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.096 1.691 12.530 1.00 0.00 H new ATOM 50 N GLN A 4 -11.780 3.702 13.844 1.00 0.00 N ATOM 51 CA GLN A 4 -11.536 4.894 13.049 1.00 0.00 C ATOM 52 C GLN A 4 -11.877 4.632 11.581 1.00 0.00 C ATOM 53 O GLN A 4 -10.986 4.401 10.765 1.00 0.00 O ATOM 54 CB GLN A 4 -10.088 5.366 13.200 1.00 0.00 C ATOM 55 CG GLN A 4 -10.020 6.889 13.338 1.00 0.00 C ATOM 56 CD GLN A 4 -8.898 7.468 12.473 1.00 0.00 C ATOM 57 OE1 GLN A 4 -7.722 7.339 12.770 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.327 8.110 11.390 1.00 0.00 N ATOM 0 H GLN A 4 -10.939 3.243 14.195 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.184 5.691 13.415 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.638 4.897 14.075 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.506 5.049 12.334 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.974 7.327 13.044 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.854 7.156 14.382 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.327 8.181 11.202 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.656 8.532 10.748 1.00 0.00 H new ATOM 67 N ALA A 5 -13.169 4.678 11.289 1.00 0.00 N ATOM 68 CA ALA A 5 -13.638 4.449 9.933 1.00 0.00 C ATOM 69 C ALA A 5 -13.341 5.683 9.080 1.00 0.00 C ATOM 70 O ALA A 5 -13.828 6.775 9.370 1.00 0.00 O ATOM 71 CB ALA A 5 -15.128 4.103 9.960 1.00 0.00 C ATOM 0 H ALA A 5 -13.905 4.870 11.968 1.00 0.00 H new ATOM 0 HA ALA A 5 -13.115 3.605 9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.480 3.931 8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.282 3.202 10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.685 4.929 10.402 1.00 0.00 H new ATOM 77 N GLN A 6 -12.544 5.469 8.043 1.00 0.00 N ATOM 78 CA GLN A 6 -12.176 6.550 7.146 1.00 0.00 C ATOM 79 C GLN A 6 -11.423 6.000 5.932 1.00 0.00 C ATOM 80 O GLN A 6 -10.431 5.289 6.083 1.00 0.00 O ATOM 81 CB GLN A 6 -11.344 7.608 7.873 1.00 0.00 C ATOM 82 CG GLN A 6 -10.886 8.704 6.909 1.00 0.00 C ATOM 83 CD GLN A 6 -10.857 10.068 7.603 1.00 0.00 C ATOM 84 OE1 GLN A 6 -11.668 10.942 7.343 1.00 0.00 O ATOM 85 NE2 GLN A 6 -9.881 10.200 8.496 1.00 0.00 N ATOM 0 H GLN A 6 -12.143 4.562 7.804 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.089 7.031 6.796 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.933 8.049 8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.475 7.138 8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.894 8.465 6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.557 8.743 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.236 9.428 8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.777 11.073 9.012 1.00 0.00 H new ATOM 94 N GLN A 7 -11.924 6.351 4.757 1.00 0.00 N ATOM 95 CA GLN A 7 -11.311 5.901 3.518 1.00 0.00 C ATOM 96 C GLN A 7 -10.889 7.102 2.669 1.00 0.00 C ATOM 97 O GLN A 7 -11.723 7.734 2.024 1.00 0.00 O ATOM 98 CB GLN A 7 -12.257 4.984 2.740 1.00 0.00 C ATOM 99 CG GLN A 7 -11.744 4.748 1.318 1.00 0.00 C ATOM 100 CD GLN A 7 -12.721 3.881 0.520 1.00 0.00 C ATOM 101 OE1 GLN A 7 -12.737 2.665 0.621 1.00 0.00 O ATOM 102 NE2 GLN A 7 -13.531 4.572 -0.276 1.00 0.00 N ATOM 0 H GLN A 7 -12.747 6.941 4.636 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.420 5.324 3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.353 4.030 3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.252 5.429 2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.606 5.704 0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.768 4.263 1.355 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.464 5.589 -0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.219 4.085 -0.850 1.00 0.00 H new ATOM 111 N PHE A 8 -9.594 7.379 2.696 1.00 0.00 N ATOM 112 CA PHE A 8 -9.050 8.492 1.937 1.00 0.00 C ATOM 113 C PHE A 8 -8.997 8.163 0.443 1.00 0.00 C ATOM 114 O PHE A 8 -9.049 6.996 0.059 1.00 0.00 O ATOM 115 CB PHE A 8 -7.627 8.728 2.445 1.00 0.00 C ATOM 116 CG PHE A 8 -7.557 9.220 3.893 1.00 0.00 C ATOM 117 CD1 PHE A 8 -7.656 8.332 4.918 1.00 0.00 C ATOM 118 CD2 PHE A 8 -7.395 10.545 4.154 1.00 0.00 C ATOM 119 CE1 PHE A 8 -7.591 8.788 6.261 1.00 0.00 C ATOM 120 CE2 PHE A 8 -7.330 11.000 5.497 1.00 0.00 C ATOM 121 CZ PHE A 8 -7.429 10.112 6.522 1.00 0.00 C ATOM 0 H PHE A 8 -8.905 6.851 3.232 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.679 9.373 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.063 7.799 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.138 9.458 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.784 7.280 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.316 11.250 3.340 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.670 8.083 7.075 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.202 12.052 5.705 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.379 10.459 7.544 1.00 0.00 H new ATOM 131 N ILE A 9 -8.896 9.213 -0.358 1.00 0.00 N ATOM 132 CA ILE A 9 -8.835 9.051 -1.801 1.00 0.00 C ATOM 133 C ILE A 9 -7.405 8.694 -2.210 1.00 0.00 C ATOM 134 O ILE A 9 -6.503 9.525 -2.116 1.00 0.00 O ATOM 135 CB ILE A 9 -9.384 10.294 -2.503 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.661 10.791 -1.822 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.596 10.032 -3.996 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.845 9.876 -2.142 1.00 0.00 C ATOM 0 H ILE A 9 -8.855 10.180 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.473 8.226 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.643 11.089 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.510 10.832 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.882 11.806 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.987 10.932 -4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.646 9.762 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.307 9.216 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.740 10.252 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.009 9.856 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.631 8.867 -1.789 1.00 0.00 H new ATOM 150 N PHE A 10 -7.242 7.457 -2.655 1.00 0.00 N ATOM 151 CA PHE A 10 -5.937 6.980 -3.079 1.00 0.00 C ATOM 152 C PHE A 10 -6.069 5.763 -3.997 1.00 0.00 C ATOM 153 O PHE A 10 -6.841 4.848 -3.714 1.00 0.00 O ATOM 154 CB PHE A 10 -5.178 6.570 -1.815 1.00 0.00 C ATOM 155 CG PHE A 10 -3.663 6.471 -2.003 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.958 7.553 -2.429 1.00 0.00 C ATOM 157 CD2 PHE A 10 -3.021 5.300 -1.744 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.552 7.461 -2.604 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.615 5.208 -1.919 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.910 6.290 -2.345 1.00 0.00 C ATOM 0 H PHE A 10 -7.992 6.770 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.417 7.763 -3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.389 7.292 -1.026 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.555 5.606 -1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.468 8.483 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.581 4.441 -1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.992 8.320 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.105 4.278 -1.714 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.160 6.220 -2.478 1.00 0.00 H new ATOM 170 N LYS A 11 -5.303 5.792 -5.078 1.00 0.00 N ATOM 171 CA LYS A 11 -5.326 4.702 -6.040 1.00 0.00 C ATOM 172 C LYS A 11 -3.893 4.378 -6.469 1.00 0.00 C ATOM 173 O LYS A 11 -3.225 5.203 -7.089 1.00 0.00 O ATOM 174 CB LYS A 11 -6.257 5.037 -7.207 1.00 0.00 C ATOM 175 CG LYS A 11 -7.673 5.333 -6.711 1.00 0.00 C ATOM 176 CD LYS A 11 -8.435 4.037 -6.423 1.00 0.00 C ATOM 177 CE LYS A 11 -9.504 4.257 -5.351 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.119 2.968 -4.960 1.00 0.00 N ATOM 0 H LYS A 11 -4.663 6.552 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.735 3.800 -5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.870 5.900 -7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.281 4.203 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.626 5.940 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.210 5.916 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.902 3.674 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.738 3.266 -6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.059 4.734 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.271 4.933 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.842 3.135 -4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.561 2.528 -5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.386 2.335 -4.581 1.00 0.00 H new ATOM 192 N VAL A 12 -3.464 3.173 -6.121 1.00 0.00 N ATOM 193 CA VAL A 12 -2.123 2.729 -6.463 1.00 0.00 C ATOM 194 C VAL A 12 -2.196 1.769 -7.651 1.00 0.00 C ATOM 195 O VAL A 12 -3.168 1.029 -7.798 1.00 0.00 O ATOM 196 CB VAL A 12 -1.448 2.113 -5.236 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.920 0.675 -5.015 1.00 0.00 C ATOM 198 CG2 VAL A 12 0.076 2.177 -5.360 1.00 0.00 C ATOM 0 H VAL A 12 -4.021 2.491 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.506 3.575 -6.767 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.739 2.698 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.425 0.260 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.999 0.666 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.673 0.072 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.532 1.733 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.392 1.627 -6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.391 3.217 -5.447 1.00 0.00 H new ATOM 208 N THR A 13 -1.155 1.810 -8.470 1.00 0.00 N ATOM 209 CA THR A 13 -1.089 0.953 -9.641 1.00 0.00 C ATOM 210 C THR A 13 -1.176 -0.518 -9.230 1.00 0.00 C ATOM 211 O THR A 13 -0.817 -0.876 -8.109 1.00 0.00 O ATOM 212 CB THR A 13 0.190 1.295 -10.407 1.00 0.00 C ATOM 213 OG1 THR A 13 1.226 1.135 -9.441 1.00 0.00 O ATOM 214 CG2 THR A 13 0.265 2.775 -10.791 1.00 0.00 C ATOM 0 H THR A 13 -0.350 2.424 -8.345 1.00 0.00 H new ATOM 0 HA THR A 13 -1.937 1.124 -10.304 1.00 0.00 H new ATOM 0 HB THR A 13 0.249 0.683 -11.307 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.082 1.002 -9.899 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.192 2.964 -11.332 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.584 3.030 -11.425 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.241 3.387 -9.889 1.00 0.00 H new ATOM 222 N ASP A 14 -1.654 -1.332 -10.160 1.00 0.00 N ATOM 223 CA ASP A 14 -1.792 -2.757 -9.908 1.00 0.00 C ATOM 224 C ASP A 14 -0.405 -3.374 -9.718 1.00 0.00 C ATOM 225 O ASP A 14 -0.266 -4.407 -9.066 1.00 0.00 O ATOM 226 CB ASP A 14 -2.466 -3.461 -11.087 1.00 0.00 C ATOM 227 CG ASP A 14 -3.975 -3.666 -10.942 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.402 -3.952 -9.802 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.668 -3.531 -11.973 1.00 0.00 O ATOM 0 H ASP A 14 -1.950 -1.032 -11.089 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.403 -2.884 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.279 -2.882 -11.991 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.994 -4.434 -11.228 1.00 0.00 H new ATOM 234 N LYS A 15 0.585 -2.714 -10.301 1.00 0.00 N ATOM 235 CA LYS A 15 1.957 -3.185 -10.204 1.00 0.00 C ATOM 236 C LYS A 15 2.418 -3.102 -8.748 1.00 0.00 C ATOM 237 O LYS A 15 3.055 -4.024 -8.242 1.00 0.00 O ATOM 238 CB LYS A 15 2.855 -2.421 -11.179 1.00 0.00 C ATOM 239 CG LYS A 15 3.733 -3.382 -11.983 1.00 0.00 C ATOM 240 CD LYS A 15 2.880 -4.292 -12.870 1.00 0.00 C ATOM 241 CE LYS A 15 3.702 -4.849 -14.034 1.00 0.00 C ATOM 242 NZ LYS A 15 2.825 -5.163 -15.184 1.00 0.00 N ATOM 0 H LYS A 15 0.465 -1.858 -10.842 1.00 0.00 H new ATOM 0 HA LYS A 15 2.023 -4.232 -10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.241 -1.830 -11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.484 -1.722 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.429 -2.814 -12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.332 -3.988 -11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.480 -5.114 -12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.027 -3.734 -13.256 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.458 -4.123 -14.333 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.231 -5.748 -13.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.399 -5.540 -15.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.119 -5.872 -14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.340 -4.298 -15.497 1.00 0.00 H new ATOM 256 N ALA A 16 2.079 -1.989 -8.115 1.00 0.00 N ATOM 257 CA ALA A 16 2.450 -1.774 -6.727 1.00 0.00 C ATOM 258 C ALA A 16 1.868 -2.898 -5.868 1.00 0.00 C ATOM 259 O ALA A 16 2.608 -3.624 -5.206 1.00 0.00 O ATOM 260 CB ALA A 16 1.973 -0.391 -6.279 1.00 0.00 C ATOM 0 H ALA A 16 1.551 -1.226 -8.538 1.00 0.00 H new ATOM 0 HA ALA A 16 3.534 -1.798 -6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.251 -0.230 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.438 0.374 -6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.889 -0.330 -6.378 1.00 0.00 H new ATOM 266 N VAL A 17 0.548 -3.006 -5.906 1.00 0.00 N ATOM 267 CA VAL A 17 -0.141 -4.029 -5.139 1.00 0.00 C ATOM 268 C VAL A 17 0.409 -5.405 -5.522 1.00 0.00 C ATOM 269 O VAL A 17 0.625 -6.253 -4.658 1.00 0.00 O ATOM 270 CB VAL A 17 -1.652 -3.910 -5.348 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.329 -5.279 -5.246 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.266 -2.920 -4.357 1.00 0.00 C ATOM 0 H VAL A 17 -0.062 -2.402 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 17 0.038 -3.893 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.822 -3.526 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.402 -5.166 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.922 -5.944 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.145 -5.703 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.341 -2.854 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.080 -3.262 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.815 -1.938 -4.498 1.00 0.00 H new ATOM 282 N GLU A 18 0.619 -5.583 -6.818 1.00 0.00 N ATOM 283 CA GLU A 18 1.139 -6.841 -7.325 1.00 0.00 C ATOM 284 C GLU A 18 2.532 -7.109 -6.752 1.00 0.00 C ATOM 285 O GLU A 18 2.881 -8.254 -6.468 1.00 0.00 O ATOM 286 CB GLU A 18 1.166 -6.846 -8.855 1.00 0.00 C ATOM 287 CG GLU A 18 -0.172 -7.323 -9.425 1.00 0.00 C ATOM 288 CD GLU A 18 -0.225 -8.850 -9.493 1.00 0.00 C ATOM 289 OE1 GLU A 18 0.179 -9.478 -8.491 1.00 0.00 O ATOM 290 OE2 GLU A 18 -0.669 -9.356 -10.547 1.00 0.00 O ATOM 0 H GLU A 18 0.438 -4.877 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 18 0.474 -7.643 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.385 -5.843 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.968 -7.496 -9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.988 -6.954 -8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.316 -6.906 -10.422 1.00 0.00 H new ATOM 297 N GLU A 19 3.291 -6.034 -6.599 1.00 0.00 N ATOM 298 CA GLU A 19 4.638 -6.138 -6.064 1.00 0.00 C ATOM 299 C GLU A 19 4.606 -6.736 -4.656 1.00 0.00 C ATOM 300 O GLU A 19 5.259 -7.744 -4.391 1.00 0.00 O ATOM 301 CB GLU A 19 5.336 -4.777 -6.066 1.00 0.00 C ATOM 302 CG GLU A 19 6.677 -4.847 -5.333 1.00 0.00 C ATOM 303 CD GLU A 19 7.721 -5.592 -6.169 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.674 -6.841 -6.154 1.00 0.00 O ATOM 305 OE2 GLU A 19 8.541 -4.895 -6.804 1.00 0.00 O ATOM 0 H GLU A 19 2.999 -5.086 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 19 5.212 -6.805 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.496 -4.448 -7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.695 -4.035 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.031 -3.839 -5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.546 -5.351 -4.375 1.00 0.00 H new ATOM 312 N ILE A 20 3.839 -6.089 -3.791 1.00 0.00 N ATOM 313 CA ILE A 20 3.713 -6.545 -2.417 1.00 0.00 C ATOM 314 C ILE A 20 3.094 -7.944 -2.402 1.00 0.00 C ATOM 315 O ILE A 20 3.387 -8.747 -1.518 1.00 0.00 O ATOM 316 CB ILE A 20 2.940 -5.521 -1.582 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.689 -4.188 -1.518 1.00 0.00 C ATOM 318 CG2 ILE A 20 2.631 -6.072 -0.188 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.348 -3.310 -2.724 1.00 0.00 C ATOM 0 H ILE A 20 3.299 -5.253 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 20 4.695 -6.627 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 20 1.985 -5.331 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.430 -3.665 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.763 -4.371 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.081 -5.325 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.028 -6.975 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.563 -6.309 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.893 -2.369 -2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.631 -3.826 -3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.277 -3.109 -2.736 1.00 0.00 H new ATOM 331 N LYS A 21 2.248 -8.192 -3.392 1.00 0.00 N ATOM 332 CA LYS A 21 1.585 -9.480 -3.504 1.00 0.00 C ATOM 333 C LYS A 21 2.638 -10.578 -3.670 1.00 0.00 C ATOM 334 O LYS A 21 2.604 -11.587 -2.967 1.00 0.00 O ATOM 335 CB LYS A 21 0.544 -9.451 -4.625 1.00 0.00 C ATOM 336 CG LYS A 21 -0.867 -9.282 -4.059 1.00 0.00 C ATOM 337 CD LYS A 21 -1.924 -9.597 -5.119 1.00 0.00 C ATOM 338 CE LYS A 21 -3.230 -10.059 -4.470 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.153 -11.494 -4.113 1.00 0.00 N ATOM 0 H LYS A 21 2.007 -7.523 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 21 1.031 -9.704 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.765 -8.633 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.600 -10.374 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.000 -9.941 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.999 -8.261 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.109 -8.712 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.553 -10.372 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.429 -9.466 -3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.062 -9.893 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.048 -11.791 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.985 -12.057 -4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.372 -11.644 -3.443 1.00 0.00 H new ATOM 353 N LYS A 22 3.547 -10.344 -4.605 1.00 0.00 N ATOM 354 CA LYS A 22 4.608 -11.301 -4.872 1.00 0.00 C ATOM 355 C LYS A 22 5.654 -11.222 -3.759 1.00 0.00 C ATOM 356 O LYS A 22 6.100 -12.247 -3.247 1.00 0.00 O ATOM 357 CB LYS A 22 5.184 -11.085 -6.273 1.00 0.00 C ATOM 358 CG LYS A 22 4.340 -11.801 -7.330 1.00 0.00 C ATOM 359 CD LYS A 22 5.162 -12.082 -8.589 1.00 0.00 C ATOM 360 CE LYS A 22 5.514 -13.567 -8.695 1.00 0.00 C ATOM 361 NZ LYS A 22 6.962 -13.740 -8.951 1.00 0.00 N ATOM 0 H LYS A 22 3.571 -9.507 -5.187 1.00 0.00 H new ATOM 0 HA LYS A 22 4.214 -12.317 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.222 -10.018 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.209 -11.454 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.959 -12.738 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.475 -11.189 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.600 -11.774 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.076 -11.489 -8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.238 -14.079 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.939 -14.027 -9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.184 -14.754 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.216 -13.269 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.505 -13.319 -8.170 1.00 0.00 H new ATOM 375 N VAL A 23 6.014 -9.994 -3.415 1.00 0.00 N ATOM 376 CA VAL A 23 6.998 -9.767 -2.371 1.00 0.00 C ATOM 377 C VAL A 23 6.567 -10.502 -1.101 1.00 0.00 C ATOM 378 O VAL A 23 7.326 -11.300 -0.553 1.00 0.00 O ATOM 379 CB VAL A 23 7.196 -8.265 -2.155 1.00 0.00 C ATOM 380 CG1 VAL A 23 7.624 -7.970 -0.716 1.00 0.00 C ATOM 381 CG2 VAL A 23 8.203 -7.695 -3.155 1.00 0.00 C ATOM 0 H VAL A 23 5.641 -9.146 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 23 7.967 -10.169 -2.666 1.00 0.00 H new ATOM 0 HB VAL A 23 6.239 -7.773 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.758 -6.896 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.856 -8.324 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.564 -8.480 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.325 -6.626 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.163 -8.195 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.839 -7.857 -4.170 1.00 0.00 H new ATOM 391 N ALA A 24 5.350 -10.207 -0.669 1.00 0.00 N ATOM 392 CA ALA A 24 4.808 -10.830 0.527 1.00 0.00 C ATOM 393 C ALA A 24 4.685 -12.338 0.300 1.00 0.00 C ATOM 394 O ALA A 24 5.044 -13.132 1.168 1.00 0.00 O ATOM 395 CB ALA A 24 3.468 -10.182 0.879 1.00 0.00 C ATOM 0 H ALA A 24 4.723 -9.544 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 24 5.476 -10.677 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.062 -10.650 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.615 -9.117 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.770 -10.317 0.052 1.00 0.00 H new ATOM 401 N GLN A 25 4.175 -12.688 -0.872 1.00 0.00 N ATOM 402 CA GLN A 25 4.000 -14.087 -1.225 1.00 0.00 C ATOM 403 C GLN A 25 5.336 -14.827 -1.140 1.00 0.00 C ATOM 404 O GLN A 25 5.382 -15.985 -0.728 1.00 0.00 O ATOM 405 CB GLN A 25 3.382 -14.228 -2.618 1.00 0.00 C ATOM 406 CG GLN A 25 1.855 -14.164 -2.550 1.00 0.00 C ATOM 407 CD GLN A 25 1.256 -13.899 -3.932 1.00 0.00 C ATOM 408 OE1 GLN A 25 1.935 -13.511 -4.868 1.00 0.00 O ATOM 409 NE2 GLN A 25 -0.052 -14.130 -4.008 1.00 0.00 N ATOM 0 H GLN A 25 3.877 -12.027 -1.589 1.00 0.00 H new ATOM 0 HA GLN A 25 3.311 -14.538 -0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.754 -13.435 -3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.690 -15.174 -3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.465 -15.102 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.551 -13.376 -1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.561 -14.454 -3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.546 -13.983 -4.888 1.00 0.00 H new ATOM 418 N GLU A 26 6.390 -14.128 -1.535 1.00 0.00 N ATOM 419 CA GLU A 26 7.723 -14.705 -1.509 1.00 0.00 C ATOM 420 C GLU A 26 8.271 -14.708 -0.080 1.00 0.00 C ATOM 421 O GLU A 26 9.377 -15.191 0.163 1.00 0.00 O ATOM 422 CB GLU A 26 8.663 -13.957 -2.456 1.00 0.00 C ATOM 423 CG GLU A 26 8.985 -14.802 -3.690 1.00 0.00 C ATOM 424 CD GLU A 26 10.474 -14.727 -4.033 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.269 -15.264 -3.231 1.00 0.00 O ATOM 426 OE2 GLU A 26 10.784 -14.134 -5.089 1.00 0.00 O ATOM 0 H GLU A 26 6.348 -13.167 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 26 7.659 -15.737 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.203 -13.018 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.585 -13.704 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.702 -15.839 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.395 -14.454 -4.538 1.00 0.00 H new ATOM 433 N ASN A 27 7.474 -14.164 0.827 1.00 0.00 N ATOM 434 CA ASN A 27 7.866 -14.098 2.224 1.00 0.00 C ATOM 435 C ASN A 27 6.976 -15.035 3.044 1.00 0.00 C ATOM 436 O ASN A 27 7.076 -15.077 4.269 1.00 0.00 O ATOM 437 CB ASN A 27 7.696 -12.682 2.778 1.00 0.00 C ATOM 438 CG ASN A 27 9.010 -11.901 2.698 1.00 0.00 C ATOM 439 OD1 ASN A 27 9.982 -12.202 3.371 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.984 -10.885 1.841 1.00 0.00 N ATOM 0 H ASN A 27 6.558 -13.765 0.622 1.00 0.00 H new ATOM 0 HA ASN A 27 8.914 -14.390 2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.923 -12.158 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.360 -12.731 3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.812 -10.302 1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.136 -10.688 1.309 1.00 0.00 H new ATOM 447 N ASN A 28 6.127 -15.764 2.334 1.00 0.00 N ATOM 448 CA ASN A 28 5.221 -16.698 2.981 1.00 0.00 C ATOM 449 C ASN A 28 4.110 -15.918 3.687 1.00 0.00 C ATOM 450 O ASN A 28 3.572 -16.374 4.695 1.00 0.00 O ATOM 451 CB ASN A 28 5.952 -17.537 4.031 1.00 0.00 C ATOM 452 CG ASN A 28 5.273 -18.895 4.217 1.00 0.00 C ATOM 453 OD1 ASN A 28 4.476 -19.102 5.118 1.00 0.00 O ATOM 454 ND2 ASN A 28 5.631 -19.807 3.318 1.00 0.00 N ATOM 0 H ASN A 28 6.048 -15.727 1.318 1.00 0.00 H new ATOM 0 HA ASN A 28 4.812 -17.357 2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.989 -17.683 3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.970 -17.002 4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.233 -20.745 3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.304 -19.568 2.589 1.00 0.00 H new ATOM 461 N ILE A 29 3.801 -14.756 3.131 1.00 0.00 N ATOM 462 CA ILE A 29 2.764 -13.909 3.695 1.00 0.00 C ATOM 463 C ILE A 29 1.467 -14.103 2.906 1.00 0.00 C ATOM 464 O ILE A 29 1.500 -14.329 1.697 1.00 0.00 O ATOM 465 CB ILE A 29 3.235 -12.454 3.755 1.00 0.00 C ATOM 466 CG1 ILE A 29 4.516 -12.327 4.583 1.00 0.00 C ATOM 467 CG2 ILE A 29 2.124 -11.540 4.274 1.00 0.00 C ATOM 468 CD1 ILE A 29 5.135 -10.937 4.423 1.00 0.00 C ATOM 0 H ILE A 29 4.251 -14.381 2.296 1.00 0.00 H new ATOM 0 HA ILE A 29 2.556 -14.196 4.726 1.00 0.00 H new ATOM 0 HB ILE A 29 3.473 -12.129 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.294 -12.512 5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.233 -13.087 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.484 -10.512 4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.262 -11.601 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.832 -11.855 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.044 -10.872 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.378 -10.765 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.425 -10.182 4.759 1.00 0.00 H new ATOM 480 N GLU A 30 0.357 -14.009 3.622 1.00 0.00 N ATOM 481 CA GLU A 30 -0.948 -14.171 3.005 1.00 0.00 C ATOM 482 C GLU A 30 -1.862 -13.002 3.379 1.00 0.00 C ATOM 483 O GLU A 30 -3.044 -13.001 3.040 1.00 0.00 O ATOM 484 CB GLU A 30 -1.579 -15.508 3.399 1.00 0.00 C ATOM 485 CG GLU A 30 -1.839 -16.377 2.167 1.00 0.00 C ATOM 486 CD GLU A 30 -2.102 -17.830 2.566 1.00 0.00 C ATOM 487 OE1 GLU A 30 -1.373 -18.315 3.458 1.00 0.00 O ATOM 488 OE2 GLU A 30 -3.027 -18.424 1.971 1.00 0.00 O ATOM 0 H GLU A 30 0.334 -13.823 4.625 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.818 -14.173 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.920 -16.036 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.516 -15.330 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.695 -15.987 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.981 -16.330 1.497 1.00 0.00 H new ATOM 495 N ASN A 31 -1.279 -12.035 4.072 1.00 0.00 N ATOM 496 CA ASN A 31 -2.025 -10.863 4.496 1.00 0.00 C ATOM 497 C ASN A 31 -1.072 -9.673 4.617 1.00 0.00 C ATOM 498 O ASN A 31 -0.839 -9.169 5.715 1.00 0.00 O ATOM 499 CB ASN A 31 -2.676 -11.089 5.862 1.00 0.00 C ATOM 500 CG ASN A 31 -1.831 -12.029 6.723 1.00 0.00 C ATOM 501 OD1 ASN A 31 -0.647 -12.219 6.501 1.00 0.00 O ATOM 502 ND2 ASN A 31 -2.504 -12.604 7.716 1.00 0.00 N ATOM 0 H ASN A 31 -0.298 -12.039 4.351 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.800 -10.671 3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.799 -10.134 6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.673 -11.510 5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.029 -13.248 8.348 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.495 -12.400 7.845 1.00 0.00 H new ATOM 509 N PRO A 32 -0.532 -9.247 3.444 1.00 0.00 N ATOM 510 CA PRO A 32 0.391 -8.125 3.408 1.00 0.00 C ATOM 511 C PRO A 32 -0.350 -6.799 3.588 1.00 0.00 C ATOM 512 O PRO A 32 -1.569 -6.739 3.431 1.00 0.00 O ATOM 513 CB PRO A 32 1.093 -8.236 2.065 1.00 0.00 C ATOM 514 CG PRO A 32 0.215 -9.133 1.208 1.00 0.00 C ATOM 515 CD PRO A 32 -0.785 -9.820 2.125 1.00 0.00 C ATOM 0 HA PRO A 32 1.114 -8.149 4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.215 -7.255 1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.090 -8.660 2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.303 -8.547 0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.821 -9.871 0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.810 -9.635 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.642 -10.901 2.128 1.00 0.00 H new ATOM 523 N ILE A 33 0.416 -5.769 3.916 1.00 0.00 N ATOM 524 CA ILE A 33 -0.153 -4.448 4.119 1.00 0.00 C ATOM 525 C ILE A 33 0.759 -3.400 3.477 1.00 0.00 C ATOM 526 O ILE A 33 1.975 -3.437 3.657 1.00 0.00 O ATOM 527 CB ILE A 33 -0.420 -4.202 5.605 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.621 -5.018 6.089 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.588 -2.709 5.893 1.00 0.00 C ATOM 530 CD1 ILE A 33 -1.646 -5.105 7.616 1.00 0.00 C ATOM 0 H ILE A 33 1.426 -5.823 4.046 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.123 -4.372 3.627 1.00 0.00 H new ATOM 0 HB ILE A 33 0.449 -4.542 6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.544 -4.560 5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.578 -6.021 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.777 -2.563 6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.321 -2.179 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.429 -2.320 5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.509 -5.690 7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.733 -5.585 7.968 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.714 -4.102 8.037 1.00 0.00 H new ATOM 542 N LEU A 34 0.136 -2.492 2.741 1.00 0.00 N ATOM 543 CA LEU A 34 0.876 -1.436 2.071 1.00 0.00 C ATOM 544 C LEU A 34 0.971 -0.220 2.995 1.00 0.00 C ATOM 545 O LEU A 34 -0.046 0.359 3.372 1.00 0.00 O ATOM 546 CB LEU A 34 0.252 -1.125 0.709 1.00 0.00 C ATOM 547 CG LEU A 34 0.691 -2.022 -0.450 1.00 0.00 C ATOM 548 CD1 LEU A 34 1.013 -3.435 0.041 1.00 0.00 C ATOM 549 CD2 LEU A 34 -0.356 -2.028 -1.566 1.00 0.00 C ATOM 0 H LEU A 34 -0.873 -2.465 2.594 1.00 0.00 H new ATOM 0 HA LEU A 34 1.896 -1.760 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.832 -1.192 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.486 -0.092 0.452 1.00 0.00 H new ATOM 0 HG LEU A 34 1.608 -1.611 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.322 -4.052 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.819 -3.391 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.127 -3.870 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.019 -2.673 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.303 -2.401 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.493 -1.014 -1.942 1.00 0.00 H new ATOM 561 N ARG A 35 2.203 0.131 3.334 1.00 0.00 N ATOM 562 CA ARG A 35 2.445 1.267 4.207 1.00 0.00 C ATOM 563 C ARG A 35 3.171 2.377 3.444 1.00 0.00 C ATOM 564 O ARG A 35 4.317 2.205 3.031 1.00 0.00 O ATOM 565 CB ARG A 35 3.282 0.860 5.421 1.00 0.00 C ATOM 566 CG ARG A 35 3.626 2.077 6.282 1.00 0.00 C ATOM 567 CD ARG A 35 5.140 2.283 6.361 1.00 0.00 C ATOM 568 NE ARG A 35 5.711 1.434 7.430 1.00 0.00 N ATOM 569 CZ ARG A 35 7.021 1.201 7.585 1.00 0.00 C ATOM 570 NH1 ARG A 35 7.904 1.751 6.741 1.00 0.00 N ATOM 571 NH2 ARG A 35 7.449 0.417 8.584 1.00 0.00 N ATOM 0 H ARG A 35 3.045 -0.352 3.020 1.00 0.00 H new ATOM 0 HA ARG A 35 1.478 1.632 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.733 0.131 6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.199 0.374 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.156 2.967 5.864 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.221 1.943 7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.599 2.035 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.363 3.331 6.560 1.00 0.00 H new ATOM 0 HE ARG A 35 5.067 0.999 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.579 2.347 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.901 1.573 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.777 -0.003 9.227 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.447 0.240 8.702 1.00 0.00 H new ATOM 585 N ILE A 36 2.474 3.492 3.281 1.00 0.00 N ATOM 586 CA ILE A 36 3.038 4.630 2.575 1.00 0.00 C ATOM 587 C ILE A 36 3.805 5.510 3.565 1.00 0.00 C ATOM 588 O ILE A 36 3.216 6.071 4.488 1.00 0.00 O ATOM 589 CB ILE A 36 1.947 5.378 1.806 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.668 4.707 0.459 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.304 6.857 1.647 1.00 0.00 C ATOM 592 CD1 ILE A 36 0.838 3.435 0.642 1.00 0.00 C ATOM 0 H ILE A 36 1.524 3.632 3.626 1.00 0.00 H new ATOM 0 HA ILE A 36 3.753 4.295 1.824 1.00 0.00 H new ATOM 0 HB ILE A 36 1.026 5.330 2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.138 5.400 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.610 4.463 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.512 7.365 1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.413 7.313 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.242 6.948 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.654 2.978 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.381 2.734 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.113 3.686 1.111 1.00 0.00 H new ATOM 604 N ARG A 37 5.107 5.602 3.340 1.00 0.00 N ATOM 605 CA ARG A 37 5.961 6.403 4.201 1.00 0.00 C ATOM 606 C ARG A 37 6.787 7.382 3.365 1.00 0.00 C ATOM 607 O ARG A 37 7.120 7.096 2.216 1.00 0.00 O ATOM 608 CB ARG A 37 6.904 5.519 5.019 1.00 0.00 C ATOM 609 CG ARG A 37 7.963 4.872 4.124 1.00 0.00 C ATOM 610 CD ARG A 37 9.352 5.444 4.418 1.00 0.00 C ATOM 611 NE ARG A 37 9.805 5.009 5.758 1.00 0.00 N ATOM 612 CZ ARG A 37 10.426 3.847 6.001 1.00 0.00 C ATOM 613 NH1 ARG A 37 10.672 2.996 4.995 1.00 0.00 N ATOM 614 NH2 ARG A 37 10.802 3.536 7.249 1.00 0.00 N ATOM 0 H ARG A 37 5.592 5.135 2.574 1.00 0.00 H new ATOM 0 HA ARG A 37 5.317 6.956 4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.390 6.116 5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.331 4.744 5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.969 3.794 4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.711 5.039 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.060 5.110 3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.324 6.533 4.370 1.00 0.00 H new ATOM 0 HE ARG A 37 9.634 5.633 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.386 3.233 4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.145 2.111 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.615 4.184 8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.275 2.651 7.434 1.00 0.00 H new ATOM 628 N VAL A 38 7.096 8.517 3.975 1.00 0.00 N ATOM 629 CA VAL A 38 7.878 9.540 3.302 1.00 0.00 C ATOM 630 C VAL A 38 9.326 9.473 3.790 1.00 0.00 C ATOM 631 O VAL A 38 9.613 9.799 4.941 1.00 0.00 O ATOM 632 CB VAL A 38 7.238 10.914 3.517 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.833 11.951 2.563 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.717 10.839 3.366 1.00 0.00 C ATOM 0 H VAL A 38 6.819 8.751 4.928 1.00 0.00 H new ATOM 0 HA VAL A 38 7.889 9.366 2.226 1.00 0.00 H new ATOM 0 HB VAL A 38 7.459 11.231 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.361 12.918 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.906 12.034 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.657 11.641 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.287 11.828 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.468 10.490 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.312 10.145 4.103 1.00 0.00 H new ATOM 644 N VAL A 39 10.201 9.048 2.890 1.00 0.00 N ATOM 645 CA VAL A 39 11.613 8.934 3.215 1.00 0.00 C ATOM 646 C VAL A 39 12.410 9.918 2.357 1.00 0.00 C ATOM 647 O VAL A 39 12.157 10.051 1.160 1.00 0.00 O ATOM 648 CB VAL A 39 12.073 7.485 3.046 1.00 0.00 C ATOM 649 CG1 VAL A 39 12.092 7.084 1.570 1.00 0.00 C ATOM 650 CG2 VAL A 39 13.442 7.266 3.692 1.00 0.00 C ATOM 0 H VAL A 39 9.960 8.779 1.936 1.00 0.00 H new ATOM 0 HA VAL A 39 11.788 9.197 4.258 1.00 0.00 H new ATOM 0 HB VAL A 39 11.355 6.844 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.423 6.049 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 39 11.090 7.183 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 39 12.777 7.734 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.746 6.228 3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.175 7.922 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.382 7.492 4.757 1.00 0.00 H new ATOM 660 N PRO A 40 13.382 10.601 3.018 1.00 0.00 N ATOM 661 CA PRO A 40 14.219 11.569 2.329 1.00 0.00 C ATOM 662 C PRO A 40 15.258 10.869 1.452 1.00 0.00 C ATOM 663 O PRO A 40 16.460 11.037 1.653 1.00 0.00 O ATOM 664 CB PRO A 40 14.841 12.408 3.433 1.00 0.00 C ATOM 665 CG PRO A 40 14.700 11.592 4.707 1.00 0.00 C ATOM 666 CD PRO A 40 13.711 10.470 4.435 1.00 0.00 C ATOM 0 HA PRO A 40 13.655 12.198 1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.889 12.620 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.334 13.368 3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.665 11.185 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.349 12.220 5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 40 14.148 9.495 4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.822 10.566 5.058 1.00 0.00 H new ATOM 674 N GLY A 41 14.758 10.099 0.496 1.00 0.00 N ATOM 675 CA GLY A 41 15.629 9.373 -0.413 1.00 0.00 C ATOM 676 C GLY A 41 15.759 10.105 -1.750 1.00 0.00 C ATOM 677 O GLY A 41 15.287 9.619 -2.776 1.00 0.00 O ATOM 0 H GLY A 41 13.761 9.962 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.614 9.255 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.233 8.371 -0.580 1.00 0.00 H new ATOM 681 N GLY A 42 16.402 11.263 -1.694 1.00 0.00 N ATOM 682 CA GLY A 42 16.599 12.067 -2.888 1.00 0.00 C ATOM 683 C GLY A 42 15.669 13.282 -2.892 1.00 0.00 C ATOM 684 O GLY A 42 14.449 13.134 -2.844 1.00 0.00 O ATOM 0 H GLY A 42 16.793 11.663 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.636 12.398 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.413 11.460 -3.774 1.00 0.00 H new ATOM 688 N CYS A 43 16.281 14.455 -2.948 1.00 0.00 N ATOM 689 CA CYS A 43 15.523 15.695 -2.958 1.00 0.00 C ATOM 690 C CYS A 43 14.755 15.777 -4.279 1.00 0.00 C ATOM 691 O CYS A 43 13.793 16.535 -4.395 1.00 0.00 O ATOM 692 CB CYS A 43 16.426 16.912 -2.747 1.00 0.00 C ATOM 693 SG CYS A 43 17.590 17.079 -4.149 1.00 0.00 S ATOM 0 H CYS A 43 17.293 14.574 -2.987 1.00 0.00 H new ATOM 0 HA CYS A 43 14.818 15.700 -2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 43 15.820 17.814 -2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 43 16.980 16.807 -1.814 1.00 0.00 H new ATOM 0 HG CYS A 43 18.350 18.117 -3.961 1.00 0.00 H new ATOM 699 N SER A 44 15.208 14.986 -5.241 1.00 0.00 N ATOM 700 CA SER A 44 14.575 14.960 -6.548 1.00 0.00 C ATOM 701 C SER A 44 13.558 13.819 -6.615 1.00 0.00 C ATOM 702 O SER A 44 12.621 13.863 -7.410 1.00 0.00 O ATOM 703 CB SER A 44 15.614 14.810 -7.660 1.00 0.00 C ATOM 704 OG SER A 44 15.013 14.775 -8.952 1.00 0.00 O ATOM 0 H SER A 44 16.006 14.359 -5.141 1.00 0.00 H new ATOM 0 HA SER A 44 14.058 15.908 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 44 16.320 15.639 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.185 13.895 -7.501 1.00 0.00 H new ATOM 0 HG SER A 44 15.710 14.680 -9.634 1.00 0.00 H new ATOM 710 N GLY A 45 13.778 12.823 -5.769 1.00 0.00 N ATOM 711 CA GLY A 45 12.893 11.672 -5.721 1.00 0.00 C ATOM 712 C GLY A 45 11.869 11.813 -4.593 1.00 0.00 C ATOM 713 O GLY A 45 10.671 11.927 -4.848 1.00 0.00 O ATOM 0 H GLY A 45 14.557 12.790 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.376 11.566 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.479 10.765 -5.574 1.00 0.00 H new ATOM 717 N PHE A 46 12.379 11.802 -3.370 1.00 0.00 N ATOM 718 CA PHE A 46 11.524 11.927 -2.202 1.00 0.00 C ATOM 719 C PHE A 46 10.243 11.108 -2.370 1.00 0.00 C ATOM 720 O PHE A 46 9.205 11.449 -1.804 1.00 0.00 O ATOM 721 CB PHE A 46 11.156 13.407 -2.074 1.00 0.00 C ATOM 722 CG PHE A 46 10.352 13.953 -3.255 1.00 0.00 C ATOM 723 CD1 PHE A 46 10.996 14.414 -4.361 1.00 0.00 C ATOM 724 CD2 PHE A 46 8.993 13.977 -3.200 1.00 0.00 C ATOM 725 CE1 PHE A 46 10.249 14.920 -5.458 1.00 0.00 C ATOM 726 CE2 PHE A 46 8.247 14.483 -4.297 1.00 0.00 C ATOM 727 CZ PHE A 46 8.891 14.945 -5.402 1.00 0.00 C ATOM 0 H PHE A 46 13.373 11.708 -3.163 1.00 0.00 H new ATOM 0 HA PHE A 46 12.045 11.559 -1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.581 13.550 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.071 13.990 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.075 14.395 -4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.482 13.611 -2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.760 15.285 -6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.168 14.501 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.323 15.332 -6.235 1.00 0.00 H new ATOM 737 N GLN A 47 10.357 10.043 -3.150 1.00 0.00 N ATOM 738 CA GLN A 47 9.220 9.173 -3.399 1.00 0.00 C ATOM 739 C GLN A 47 8.886 8.364 -2.144 1.00 0.00 C ATOM 740 O GLN A 47 9.574 8.471 -1.130 1.00 0.00 O ATOM 741 CB GLN A 47 9.487 8.250 -4.590 1.00 0.00 C ATOM 742 CG GLN A 47 9.896 9.055 -5.826 1.00 0.00 C ATOM 743 CD GLN A 47 11.398 8.926 -6.091 1.00 0.00 C ATOM 744 OE1 GLN A 47 12.179 8.565 -5.226 1.00 0.00 O ATOM 745 NE2 GLN A 47 11.756 9.239 -7.333 1.00 0.00 N ATOM 0 H GLN A 47 11.219 9.763 -3.618 1.00 0.00 H new ATOM 0 HA GLN A 47 8.359 9.794 -3.647 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.275 7.541 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.593 7.667 -4.811 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.338 8.704 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.637 10.104 -5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.051 9.534 -8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.736 9.184 -7.610 1.00 0.00 H new ATOM 754 N TYR A 48 7.828 7.574 -2.252 1.00 0.00 N ATOM 755 CA TYR A 48 7.393 6.748 -1.139 1.00 0.00 C ATOM 756 C TYR A 48 7.729 5.276 -1.384 1.00 0.00 C ATOM 757 O TYR A 48 7.196 4.659 -2.306 1.00 0.00 O ATOM 758 CB TYR A 48 5.873 6.907 -1.064 1.00 0.00 C ATOM 759 CG TYR A 48 5.405 8.357 -0.932 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.343 9.167 -2.048 1.00 0.00 C ATOM 761 CD2 TYR A 48 5.044 8.856 0.303 1.00 0.00 C ATOM 762 CE1 TYR A 48 4.903 10.532 -1.924 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.603 10.221 0.427 1.00 0.00 C ATOM 764 CZ TYR A 48 4.554 10.992 -0.692 1.00 0.00 C ATOM 765 OH TYR A 48 4.138 12.281 -0.575 1.00 0.00 O ATOM 0 H TYR A 48 7.259 7.489 -3.094 1.00 0.00 H new ATOM 0 HA TYR A 48 7.891 7.052 -0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.428 6.472 -1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.500 6.337 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.625 8.776 -3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.092 8.223 1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.851 11.176 -2.789 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.317 10.624 1.388 1.00 0.00 H new ATOM 0 HH TYR A 48 4.705 12.750 0.072 1.00 0.00 H new ATOM 775 N ALA A 49 8.610 4.754 -0.544 1.00 0.00 N ATOM 776 CA ALA A 49 9.023 3.366 -0.658 1.00 0.00 C ATOM 777 C ALA A 49 7.966 2.469 -0.010 1.00 0.00 C ATOM 778 O ALA A 49 7.178 2.929 0.814 1.00 0.00 O ATOM 779 CB ALA A 49 10.405 3.190 -0.025 1.00 0.00 C ATOM 0 H ALA A 49 9.050 5.268 0.219 1.00 0.00 H new ATOM 0 HA ALA A 49 9.105 3.075 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.714 2.148 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.125 3.826 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.361 3.470 1.028 1.00 0.00 H new ATOM 785 N MET A 50 7.985 1.205 -0.407 1.00 0.00 N ATOM 786 CA MET A 50 7.038 0.240 0.125 1.00 0.00 C ATOM 787 C MET A 50 7.635 -0.515 1.315 1.00 0.00 C ATOM 788 O MET A 50 8.821 -0.377 1.610 1.00 0.00 O ATOM 789 CB MET A 50 6.654 -0.756 -0.971 1.00 0.00 C ATOM 790 CG MET A 50 5.201 -0.557 -1.408 1.00 0.00 C ATOM 791 SD MET A 50 4.096 -1.215 -0.170 1.00 0.00 S ATOM 792 CE MET A 50 3.180 0.259 0.243 1.00 0.00 C ATOM 0 H MET A 50 8.641 0.827 -1.091 1.00 0.00 H new ATOM 0 HA MET A 50 6.153 0.777 0.466 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.316 -0.632 -1.828 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.792 -1.774 -0.607 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.000 0.504 -1.560 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.028 -1.054 -2.363 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.694 0.127 1.210 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.861 1.109 0.292 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.424 0.444 -0.520 1.00 0.00 H new ATOM 802 N GLY A 51 6.785 -1.297 1.965 1.00 0.00 N ATOM 803 CA GLY A 51 7.213 -2.074 3.115 1.00 0.00 C ATOM 804 C GLY A 51 6.043 -2.857 3.715 1.00 0.00 C ATOM 805 O GLY A 51 5.279 -2.321 4.516 1.00 0.00 O ATOM 0 H GLY A 51 5.802 -1.409 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.003 -2.764 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.636 -1.411 3.869 1.00 0.00 H new ATOM 809 N PHE A 52 5.940 -4.112 3.303 1.00 0.00 N ATOM 810 CA PHE A 52 4.877 -4.974 3.789 1.00 0.00 C ATOM 811 C PHE A 52 5.064 -5.293 5.274 1.00 0.00 C ATOM 812 O PHE A 52 5.965 -6.045 5.642 1.00 0.00 O ATOM 813 CB PHE A 52 4.953 -6.274 2.987 1.00 0.00 C ATOM 814 CG PHE A 52 6.346 -6.904 2.954 1.00 0.00 C ATOM 815 CD1 PHE A 52 6.720 -7.779 3.926 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.211 -6.590 1.953 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.014 -8.364 3.896 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.505 -7.175 1.923 1.00 0.00 C ATOM 819 CZ PHE A 52 8.879 -8.050 2.895 1.00 0.00 C ATOM 0 H PHE A 52 6.576 -4.552 2.638 1.00 0.00 H new ATOM 0 HA PHE A 52 3.913 -4.478 3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.251 -6.992 3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.630 -6.078 1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.033 -8.029 4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.914 -5.896 1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.311 -9.058 4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.192 -6.925 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.863 -8.495 2.872 1.00 0.00 H new ATOM 829 N ASP A 53 4.199 -4.705 6.087 1.00 0.00 N ATOM 830 CA ASP A 53 4.258 -4.917 7.523 1.00 0.00 C ATOM 831 C ASP A 53 3.041 -5.732 7.964 1.00 0.00 C ATOM 832 O ASP A 53 2.151 -6.008 7.162 1.00 0.00 O ATOM 833 CB ASP A 53 4.235 -3.586 8.278 1.00 0.00 C ATOM 834 CG ASP A 53 5.579 -2.859 8.350 1.00 0.00 C ATOM 835 OD1 ASP A 53 6.571 -3.453 7.875 1.00 0.00 O ATOM 836 OD2 ASP A 53 5.584 -1.727 8.879 1.00 0.00 O ATOM 0 H ASP A 53 3.453 -4.082 5.778 1.00 0.00 H new ATOM 0 HA ASP A 53 5.186 -5.443 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.508 -2.928 7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.883 -3.768 9.293 1.00 0.00 H new ATOM 841 N ASP A 54 3.043 -6.095 9.239 1.00 0.00 N ATOM 842 CA ASP A 54 1.950 -6.873 9.796 1.00 0.00 C ATOM 843 C ASP A 54 1.403 -6.162 11.036 1.00 0.00 C ATOM 844 O ASP A 54 1.379 -6.733 12.124 1.00 0.00 O ATOM 845 CB ASP A 54 2.425 -8.264 10.221 1.00 0.00 C ATOM 846 CG ASP A 54 1.318 -9.310 10.366 1.00 0.00 C ATOM 847 OD1 ASP A 54 0.141 -8.915 10.212 1.00 0.00 O ATOM 848 OD2 ASP A 54 1.672 -10.479 10.627 1.00 0.00 O ATOM 0 H ASP A 54 3.784 -5.865 9.901 1.00 0.00 H new ATOM 0 HA ASP A 54 1.182 -6.972 9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.150 -8.623 9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.949 -8.177 11.173 1.00 0.00 H new ATOM 853 N THR A 55 0.976 -4.924 10.828 1.00 0.00 N ATOM 854 CA THR A 55 0.431 -4.129 11.915 1.00 0.00 C ATOM 855 C THR A 55 -0.300 -2.903 11.364 1.00 0.00 C ATOM 856 O THR A 55 -0.347 -2.697 10.152 1.00 0.00 O ATOM 857 CB THR A 55 1.578 -3.776 12.864 1.00 0.00 C ATOM 858 OG1 THR A 55 0.954 -3.015 13.895 1.00 0.00 O ATOM 859 CG2 THR A 55 2.580 -2.804 12.237 1.00 0.00 C ATOM 0 H THR A 55 0.997 -4.453 9.923 1.00 0.00 H new ATOM 0 HA THR A 55 -0.316 -4.689 12.478 1.00 0.00 H new ATOM 0 HB THR A 55 2.096 -4.688 13.162 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.626 -2.746 14.555 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.373 -2.587 12.953 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.011 -3.253 11.342 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.070 -1.879 11.969 1.00 0.00 H new ATOM 867 N VAL A 56 -0.852 -2.122 12.280 1.00 0.00 N ATOM 868 CA VAL A 56 -1.579 -0.922 11.901 1.00 0.00 C ATOM 869 C VAL A 56 -1.240 0.205 12.879 1.00 0.00 C ATOM 870 O VAL A 56 -0.888 -0.052 14.029 1.00 0.00 O ATOM 871 CB VAL A 56 -3.078 -1.219 11.827 1.00 0.00 C ATOM 872 CG1 VAL A 56 -3.898 -0.031 12.333 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.491 -1.605 10.406 1.00 0.00 C ATOM 0 H VAL A 56 -0.811 -2.296 13.284 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.278 -0.591 10.907 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.283 -2.069 12.478 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.960 -0.268 12.270 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.634 0.178 13.370 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.685 0.845 11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.561 -1.811 10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.264 -0.784 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.943 -2.495 10.097 1.00 0.00 H new ATOM 883 N GLU A 57 -1.359 1.429 12.386 1.00 0.00 N ATOM 884 CA GLU A 57 -1.070 2.596 13.203 1.00 0.00 C ATOM 885 C GLU A 57 -2.350 3.111 13.864 1.00 0.00 C ATOM 886 O GLU A 57 -3.446 2.655 13.542 1.00 0.00 O ATOM 887 CB GLU A 57 -0.401 3.693 12.373 1.00 0.00 C ATOM 888 CG GLU A 57 0.673 3.108 11.454 1.00 0.00 C ATOM 889 CD GLU A 57 2.063 3.619 11.839 1.00 0.00 C ATOM 890 OE1 GLU A 57 2.329 3.674 13.059 1.00 0.00 O ATOM 891 OE2 GLU A 57 2.827 3.942 10.904 1.00 0.00 O ATOM 0 H GLU A 57 -1.651 1.638 11.431 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.372 2.303 13.988 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.152 4.211 11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.047 4.433 13.036 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.653 2.020 11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.457 3.376 10.420 1.00 0.00 H new ATOM 898 N GLU A 58 -2.168 4.055 14.776 1.00 0.00 N ATOM 899 CA GLU A 58 -3.295 4.638 15.485 1.00 0.00 C ATOM 900 C GLU A 58 -3.949 5.729 14.636 1.00 0.00 C ATOM 901 O GLU A 58 -4.688 6.565 15.154 1.00 0.00 O ATOM 902 CB GLU A 58 -2.861 5.188 16.845 1.00 0.00 C ATOM 903 CG GLU A 58 -3.966 5.004 17.888 1.00 0.00 C ATOM 904 CD GLU A 58 -3.453 5.328 19.293 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.329 6.537 19.587 1.00 0.00 O ATOM 906 OE2 GLU A 58 -3.197 4.360 20.040 1.00 0.00 O ATOM 0 H GLU A 58 -1.257 4.431 15.040 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.031 3.855 15.665 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.956 4.679 17.175 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.616 6.246 16.752 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.810 5.650 17.647 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.332 3.978 17.858 1.00 0.00 H new ATOM 913 N GLY A 59 -3.655 5.686 13.344 1.00 0.00 N ATOM 914 CA GLY A 59 -4.206 6.660 12.418 1.00 0.00 C ATOM 915 C GLY A 59 -3.850 6.306 10.973 1.00 0.00 C ATOM 916 O GLY A 59 -3.508 7.184 10.182 1.00 0.00 O ATOM 0 H GLY A 59 -3.042 4.991 12.917 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.289 6.701 12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.823 7.652 12.658 1.00 0.00 H new ATOM 920 N ASP A 60 -3.941 5.019 10.673 1.00 0.00 N ATOM 921 CA ASP A 60 -3.632 4.538 9.337 1.00 0.00 C ATOM 922 C ASP A 60 -4.930 4.399 8.538 1.00 0.00 C ATOM 923 O ASP A 60 -5.952 3.977 9.076 1.00 0.00 O ATOM 924 CB ASP A 60 -2.958 3.166 9.388 1.00 0.00 C ATOM 925 CG ASP A 60 -1.474 3.160 9.018 1.00 0.00 C ATOM 926 OD1 ASP A 60 -0.923 4.272 8.864 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.923 2.045 8.897 1.00 0.00 O ATOM 0 H ASP A 60 -4.224 4.294 11.332 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.957 5.253 8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.068 2.761 10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.488 2.493 8.714 1.00 0.00 H new ATOM 932 N HIS A 61 -4.845 4.761 7.266 1.00 0.00 N ATOM 933 CA HIS A 61 -5.999 4.681 6.387 1.00 0.00 C ATOM 934 C HIS A 61 -6.245 3.223 5.994 1.00 0.00 C ATOM 935 O HIS A 61 -5.496 2.656 5.200 1.00 0.00 O ATOM 936 CB HIS A 61 -5.825 5.601 5.177 1.00 0.00 C ATOM 937 CG HIS A 61 -6.736 5.271 4.018 1.00 0.00 C ATOM 938 ND1 HIS A 61 -7.896 4.531 4.165 1.00 0.00 N ATOM 939 CD2 HIS A 61 -6.645 5.588 2.695 1.00 0.00 C ATOM 940 CE1 HIS A 61 -8.470 4.413 2.976 1.00 0.00 C ATOM 941 NE2 HIS A 61 -7.693 5.069 2.066 1.00 0.00 N ATOM 0 H HIS A 61 -3.995 5.110 6.823 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.886 5.033 6.913 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.007 6.630 5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.790 5.548 4.839 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.855 6.164 2.236 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.391 3.890 2.765 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.885 5.148 1.067 1.00 0.00 H new ATOM 949 N VAL A 62 -7.298 2.658 6.567 1.00 0.00 N ATOM 950 CA VAL A 62 -7.652 1.277 6.286 1.00 0.00 C ATOM 951 C VAL A 62 -8.319 1.196 4.912 1.00 0.00 C ATOM 952 O VAL A 62 -9.501 1.506 4.772 1.00 0.00 O ATOM 953 CB VAL A 62 -8.529 0.723 7.411 1.00 0.00 C ATOM 954 CG1 VAL A 62 -9.837 0.155 6.856 1.00 0.00 C ATOM 955 CG2 VAL A 62 -7.776 -0.330 8.226 1.00 0.00 C ATOM 0 H VAL A 62 -7.917 3.132 7.225 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.759 0.653 6.251 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.778 1.548 8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.442 -0.232 7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.386 0.943 6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.616 -0.651 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.422 -0.707 9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.483 -1.153 7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.886 0.119 8.666 1.00 0.00 H new ATOM 965 N PHE A 63 -7.532 0.777 3.932 1.00 0.00 N ATOM 966 CA PHE A 63 -8.031 0.651 2.573 1.00 0.00 C ATOM 967 C PHE A 63 -7.974 -0.803 2.101 1.00 0.00 C ATOM 968 O PHE A 63 -6.892 -1.353 1.903 1.00 0.00 O ATOM 969 CB PHE A 63 -7.123 1.501 1.682 1.00 0.00 C ATOM 970 CG PHE A 63 -7.874 2.323 0.632 1.00 0.00 C ATOM 971 CD1 PHE A 63 -9.127 1.958 0.252 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.287 3.418 0.079 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.824 2.721 -0.722 1.00 0.00 C ATOM 974 CE2 PHE A 63 -7.983 4.181 -0.895 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.237 3.816 -1.275 1.00 0.00 C ATOM 0 H PHE A 63 -6.552 0.520 4.052 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.069 0.980 2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.543 2.177 2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.412 0.847 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.592 1.088 0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.291 3.707 0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.820 2.432 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.517 5.051 -1.334 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.767 4.396 -2.016 1.00 0.00 H new ATOM 985 N GLU A 64 -9.153 -1.384 1.933 1.00 0.00 N ATOM 986 CA GLU A 64 -9.251 -2.764 1.488 1.00 0.00 C ATOM 987 C GLU A 64 -9.075 -2.845 -0.030 1.00 0.00 C ATOM 988 O GLU A 64 -9.789 -2.179 -0.777 1.00 0.00 O ATOM 989 CB GLU A 64 -10.579 -3.387 1.921 1.00 0.00 C ATOM 990 CG GLU A 64 -10.705 -3.406 3.445 1.00 0.00 C ATOM 991 CD GLU A 64 -11.977 -4.138 3.881 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.244 -5.209 3.295 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.652 -3.609 4.790 1.00 0.00 O ATOM 0 H GLU A 64 -10.049 -0.924 2.097 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.450 -3.335 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.407 -2.823 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.651 -4.403 1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.833 -3.895 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.721 -2.385 3.825 1.00 0.00 H new ATOM 1000 N TYR A 65 -8.121 -3.668 -0.440 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.842 -3.845 -1.855 1.00 0.00 C ATOM 1002 C TYR A 65 -8.235 -5.249 -2.319 1.00 0.00 C ATOM 1003 O TYR A 65 -9.073 -5.901 -1.698 1.00 0.00 O ATOM 1004 CB TYR A 65 -6.330 -3.673 -2.012 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.928 -2.531 -2.947 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.813 -1.246 -2.458 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -5.679 -2.787 -4.281 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -5.434 -0.172 -3.339 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -5.300 -1.713 -5.161 1.00 0.00 C ATOM 1010 CZ TYR A 65 -5.197 -0.458 -4.647 1.00 0.00 C ATOM 1011 OH TYR A 65 -4.839 0.557 -5.479 1.00 0.00 O ATOM 0 H TYR A 65 -7.531 -4.220 0.183 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.408 -3.128 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.891 -3.497 -1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.906 -4.604 -2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.007 -1.046 -1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.769 -3.793 -4.664 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.340 0.838 -2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.102 -1.899 -6.206 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.316 0.198 -6.226 1.00 0.00 H new ATOM 1021 N ASP A 66 -7.610 -5.674 -3.408 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.884 -6.989 -3.963 1.00 0.00 C ATOM 1023 C ASP A 66 -7.402 -8.061 -2.983 1.00 0.00 C ATOM 1024 O ASP A 66 -6.428 -8.761 -3.254 1.00 0.00 O ATOM 1025 CB ASP A 66 -7.145 -7.192 -5.287 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.445 -8.513 -5.998 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -8.510 -9.093 -5.694 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -6.603 -8.913 -6.831 1.00 0.00 O ATOM 0 H ASP A 66 -6.915 -5.131 -3.920 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.958 -7.067 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.398 -6.370 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.073 -7.132 -5.100 1.00 0.00 H new ATOM 1033 N GLY A 67 -8.107 -8.156 -1.865 1.00 0.00 N ATOM 1034 CA GLY A 67 -7.764 -9.131 -0.845 1.00 0.00 C ATOM 1035 C GLY A 67 -6.715 -8.571 0.118 1.00 0.00 C ATOM 1036 O GLY A 67 -6.672 -8.953 1.286 1.00 0.00 O ATOM 0 H GLY A 67 -8.914 -7.573 -1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.659 -9.412 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.383 -10.037 -1.316 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.894 -7.673 -0.408 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.849 -7.056 0.390 1.00 0.00 C ATOM 1042 C VAL A 68 -5.356 -5.724 0.946 1.00 0.00 C ATOM 1043 O VAL A 68 -6.268 -5.119 0.383 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.573 -6.910 -0.442 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.384 -6.526 0.441 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.282 -8.189 -1.228 1.00 0.00 C ATOM 0 H VAL A 68 -5.932 -7.358 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.596 -7.688 1.241 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.731 -6.105 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.490 -6.429 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.589 -5.576 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.224 -7.299 1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.370 -8.058 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.154 -9.021 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.114 -8.401 -1.899 1.00 0.00 H new ATOM 1056 N LYS A 69 -4.743 -5.305 2.043 1.00 0.00 N ATOM 1057 CA LYS A 69 -5.122 -4.056 2.681 1.00 0.00 C ATOM 1058 C LYS A 69 -3.971 -3.055 2.556 1.00 0.00 C ATOM 1059 O LYS A 69 -2.809 -3.449 2.467 1.00 0.00 O ATOM 1060 CB LYS A 69 -5.567 -4.304 4.124 1.00 0.00 C ATOM 1061 CG LYS A 69 -6.348 -3.107 4.670 1.00 0.00 C ATOM 1062 CD LYS A 69 -6.366 -3.116 6.200 1.00 0.00 C ATOM 1063 CE LYS A 69 -7.413 -4.096 6.731 1.00 0.00 C ATOM 1064 NZ LYS A 69 -6.758 -5.233 7.416 1.00 0.00 N ATOM 0 H LYS A 69 -3.986 -5.808 2.506 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.983 -3.617 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.188 -5.199 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.695 -4.490 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.897 -2.181 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.370 -3.131 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.381 -3.391 6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.580 -2.114 6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.082 -3.584 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.026 -4.464 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.483 -5.889 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.138 -5.731 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.192 -4.879 8.213 1.00 0.00 H new ATOM 1078 N VAL A 70 -4.334 -1.781 2.554 1.00 0.00 N ATOM 1079 CA VAL A 70 -3.346 -0.722 2.442 1.00 0.00 C ATOM 1080 C VAL A 70 -3.491 0.233 3.629 1.00 0.00 C ATOM 1081 O VAL A 70 -4.561 0.328 4.226 1.00 0.00 O ATOM 1082 CB VAL A 70 -3.484 -0.019 1.089 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.421 1.070 0.926 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -3.418 -1.026 -0.061 1.00 0.00 C ATOM 0 H VAL A 70 -5.299 -1.458 2.628 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.338 -1.135 2.478 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.462 0.461 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.541 1.554 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.534 1.811 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.429 0.622 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.519 -0.501 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.461 -1.547 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.227 -1.749 0.041 1.00 0.00 H new ATOM 1094 N VAL A 71 -2.397 0.916 3.935 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.389 1.860 5.039 1.00 0.00 C ATOM 1096 C VAL A 71 -1.484 3.042 4.687 1.00 0.00 C ATOM 1097 O VAL A 71 -0.531 2.894 3.925 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.972 1.151 6.330 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.503 -0.284 6.364 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.452 1.177 6.503 1.00 0.00 C ATOM 0 H VAL A 71 -1.510 0.834 3.437 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.390 2.257 5.210 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.414 1.692 7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.192 -0.765 7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.592 -0.271 6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.104 -0.840 5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.182 0.667 7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.019 0.672 5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.108 2.211 6.545 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.815 4.190 5.260 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.044 5.397 5.017 1.00 0.00 C ATOM 1112 C ILE A 72 -0.886 6.170 6.328 1.00 0.00 C ATOM 1113 O ILE A 72 -1.612 5.922 7.290 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.677 6.219 3.892 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -2.139 5.316 2.746 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.723 7.314 3.409 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -3.515 5.744 2.231 1.00 0.00 C ATOM 0 H ILE A 72 -2.607 4.310 5.892 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.041 5.145 4.672 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.563 6.715 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.414 5.355 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.180 4.282 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.197 7.883 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.485 7.981 4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.194 6.859 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.820 5.086 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.242 5.681 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.464 6.771 1.868 1.00 0.00 H new ATOM 1129 N ASP A 73 0.066 7.090 6.324 1.00 0.00 N ATOM 1130 CA ASP A 73 0.329 7.900 7.502 1.00 0.00 C ATOM 1131 C ASP A 73 -0.562 9.144 7.469 1.00 0.00 C ATOM 1132 O ASP A 73 -1.083 9.511 6.417 1.00 0.00 O ATOM 1133 CB ASP A 73 1.787 8.364 7.538 1.00 0.00 C ATOM 1134 CG ASP A 73 2.768 7.362 8.150 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.712 6.185 7.734 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.553 7.797 9.020 1.00 0.00 O ATOM 0 H ASP A 73 0.665 7.293 5.524 1.00 0.00 H new ATOM 0 HA ASP A 73 0.123 7.291 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.107 8.588 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.843 9.295 8.102 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.713 9.775 8.664 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.532 10.969 8.782 1.00 0.00 C ATOM 1143 C PRO A 74 -0.815 12.185 8.192 1.00 0.00 C ATOM 1144 O PRO A 74 -1.452 13.179 7.846 1.00 0.00 O ATOM 1145 CB PRO A 74 -1.812 11.109 10.269 1.00 0.00 C ATOM 1146 CG PRO A 74 -0.764 10.262 10.973 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.111 9.368 9.931 1.00 0.00 C ATOM 0 HA PRO A 74 -2.463 10.898 8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.747 12.151 10.582 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.818 10.766 10.511 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.019 10.897 11.452 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.223 9.661 11.758 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.971 9.502 9.916 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.299 8.315 10.139 1.00 0.00 H new ATOM 1155 N PHE A 75 0.502 12.067 8.096 1.00 0.00 N ATOM 1156 CA PHE A 75 1.312 13.145 7.554 1.00 0.00 C ATOM 1157 C PHE A 75 1.559 12.945 6.058 1.00 0.00 C ATOM 1158 O PHE A 75 2.073 13.838 5.385 1.00 0.00 O ATOM 1159 CB PHE A 75 2.653 13.109 8.290 1.00 0.00 C ATOM 1160 CG PHE A 75 3.300 14.484 8.471 1.00 0.00 C ATOM 1161 CD1 PHE A 75 4.008 15.041 7.453 1.00 0.00 C ATOM 1162 CD2 PHE A 75 3.166 15.148 9.650 1.00 0.00 C ATOM 1163 CE1 PHE A 75 4.609 16.317 7.621 1.00 0.00 C ATOM 1164 CE2 PHE A 75 3.767 16.424 9.818 1.00 0.00 C ATOM 1165 CZ PHE A 75 4.475 16.982 8.800 1.00 0.00 C ATOM 0 H PHE A 75 1.028 11.242 8.384 1.00 0.00 H new ATOM 0 HA PHE A 75 0.801 14.099 7.686 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.506 12.656 9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.340 12.465 7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.114 14.513 6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.603 14.705 10.458 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.172 16.759 6.813 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.662 16.951 10.755 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.931 17.953 8.928 1.00 0.00 H new ATOM 1175 N SER A 76 1.182 11.769 5.580 1.00 0.00 N ATOM 1176 CA SER A 76 1.356 11.441 4.175 1.00 0.00 C ATOM 1177 C SER A 76 0.127 11.881 3.378 1.00 0.00 C ATOM 1178 O SER A 76 0.195 12.034 2.159 1.00 0.00 O ATOM 1179 CB SER A 76 1.602 9.942 3.985 1.00 0.00 C ATOM 1180 OG SER A 76 2.053 9.638 2.668 1.00 0.00 O ATOM 0 H SER A 76 0.756 11.031 6.141 1.00 0.00 H new ATOM 0 HA SER A 76 2.231 11.976 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.342 9.601 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.681 9.395 4.188 1.00 0.00 H new ATOM 0 HG SER A 76 3.026 9.521 2.674 1.00 0.00 H new ATOM 1186 N MET A 77 -0.968 12.074 4.098 1.00 0.00 N ATOM 1187 CA MET A 77 -2.211 12.494 3.474 1.00 0.00 C ATOM 1188 C MET A 77 -2.022 13.801 2.702 1.00 0.00 C ATOM 1189 O MET A 77 -2.392 13.895 1.532 1.00 0.00 O ATOM 1190 CB MET A 77 -3.283 12.686 4.548 1.00 0.00 C ATOM 1191 CG MET A 77 -4.569 11.944 4.179 1.00 0.00 C ATOM 1192 SD MET A 77 -4.223 10.211 3.925 1.00 0.00 S ATOM 1193 CE MET A 77 -4.845 10.011 2.264 1.00 0.00 C ATOM 0 H MET A 77 -1.020 11.947 5.109 1.00 0.00 H new ATOM 0 HA MET A 77 -2.523 11.721 2.772 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.912 12.323 5.506 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.494 13.748 4.670 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.308 12.063 4.972 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.000 12.374 3.275 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.172 8.981 2.120 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.687 10.685 2.107 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.056 10.244 1.549 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.430 14.803 3.405 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.188 16.101 2.798 1.00 0.00 C ATOM 1205 C PRO A 78 -0.007 16.040 1.826 1.00 0.00 C ATOM 1206 O PRO A 78 0.357 17.048 1.222 1.00 0.00 O ATOM 1207 CB PRO A 78 -0.946 17.043 3.966 1.00 0.00 C ATOM 1208 CG PRO A 78 -0.603 16.156 5.152 1.00 0.00 C ATOM 1209 CD PRO A 78 -0.979 14.729 4.791 1.00 0.00 C ATOM 0 HA PRO A 78 -2.027 16.445 2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.133 17.735 3.748 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.831 17.646 4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.460 16.224 5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.145 16.480 6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.127 14.057 4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.765 14.350 5.443 1.00 0.00 H new ATOM 1217 N TYR A 79 0.557 14.847 1.705 1.00 0.00 N ATOM 1218 CA TYR A 79 1.688 14.641 0.817 1.00 0.00 C ATOM 1219 C TYR A 79 1.329 13.675 -0.314 1.00 0.00 C ATOM 1220 O TYR A 79 2.073 13.546 -1.285 1.00 0.00 O ATOM 1221 CB TYR A 79 2.790 14.015 1.675 1.00 0.00 C ATOM 1222 CG TYR A 79 4.195 14.531 1.358 1.00 0.00 C ATOM 1223 CD1 TYR A 79 4.486 15.008 0.096 1.00 0.00 C ATOM 1224 CD2 TYR A 79 5.171 14.518 2.333 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.808 15.493 -0.203 1.00 0.00 C ATOM 1226 CE2 TYR A 79 6.493 15.004 2.034 1.00 0.00 C ATOM 1227 CZ TYR A 79 6.747 15.467 0.781 1.00 0.00 C ATOM 1228 OH TYR A 79 7.996 15.926 0.499 1.00 0.00 O ATOM 0 H TYR A 79 0.252 14.013 2.207 1.00 0.00 H new ATOM 0 HA TYR A 79 1.995 15.583 0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.572 14.208 2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.772 12.934 1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.722 15.017 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.944 14.143 3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.049 15.869 -1.186 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.266 15.001 2.788 1.00 0.00 H new ATOM 0 HH TYR A 79 8.561 15.848 1.296 1.00 0.00 H new ATOM 1238 N VAL A 80 0.187 13.023 -0.152 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.280 12.073 -1.147 1.00 0.00 C ATOM 1240 C VAL A 80 -1.808 12.120 -1.212 1.00 0.00 C ATOM 1241 O VAL A 80 -2.461 11.081 -1.302 1.00 0.00 O ATOM 1242 CB VAL A 80 0.262 10.677 -0.834 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.776 10.714 -0.616 1.00 0.00 C ATOM 1244 CG2 VAL A 80 -0.451 10.071 0.376 1.00 0.00 C ATOM 0 H VAL A 80 -0.429 13.134 0.654 1.00 0.00 H new ATOM 0 HA VAL A 80 0.097 12.339 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 80 0.062 10.039 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.136 9.709 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.264 11.085 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.007 11.374 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.047 9.079 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.297 10.709 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.518 9.993 0.168 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.334 13.335 -1.165 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.772 13.531 -1.218 1.00 0.00 C ATOM 1256 C ASN A 81 -4.220 13.603 -2.680 1.00 0.00 C ATOM 1257 O ASN A 81 -3.756 14.458 -3.433 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.176 14.839 -0.535 1.00 0.00 C ATOM 1259 CG ASN A 81 -5.577 15.275 -0.969 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -6.373 14.494 -1.462 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -5.831 16.564 -0.760 1.00 0.00 N ATOM 0 H ASN A 81 -1.789 14.194 -1.091 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.245 12.695 -0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.150 14.711 0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.456 15.619 -0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.738 16.953 -1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.119 17.163 -0.343 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.115 12.695 -3.037 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.630 12.645 -4.394 1.00 0.00 C ATOM 1270 C GLY A 82 -4.498 12.444 -5.403 1.00 0.00 C ATOM 1271 O GLY A 82 -4.302 13.269 -6.295 1.00 0.00 O ATOM 0 H GLY A 82 -5.497 11.987 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.350 11.832 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.163 13.569 -4.619 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.782 11.343 -5.229 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.674 11.023 -6.113 1.00 0.00 C ATOM 1277 C ALA A 83 -2.450 9.509 -6.115 1.00 0.00 C ATOM 1278 O ALA A 83 -2.869 8.815 -5.191 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.429 11.796 -5.673 1.00 0.00 C ATOM 0 H ALA A 83 -3.948 10.661 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.900 11.325 -7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.598 11.556 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.631 12.866 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.170 11.518 -4.652 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.789 9.043 -7.165 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.504 7.624 -7.299 1.00 0.00 C ATOM 1287 C GLU A 84 -0.002 7.369 -7.156 1.00 0.00 C ATOM 1288 O GLU A 84 0.811 8.244 -7.448 1.00 0.00 O ATOM 1289 CB GLU A 84 -2.027 7.084 -8.631 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.280 7.712 -9.809 1.00 0.00 C ATOM 1291 CD GLU A 84 -2.005 7.436 -11.129 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -3.090 8.028 -11.315 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -1.457 6.639 -11.921 1.00 0.00 O ATOM 0 H GLU A 84 -1.443 9.622 -7.930 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.021 7.092 -6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.911 6.000 -8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.093 7.293 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.192 8.788 -9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.267 7.313 -9.856 1.00 0.00 H new ATOM 1300 N LEU A 85 0.320 6.165 -6.705 1.00 0.00 N ATOM 1301 CA LEU A 85 1.710 5.783 -6.520 1.00 0.00 C ATOM 1302 C LEU A 85 2.022 4.568 -7.395 1.00 0.00 C ATOM 1303 O LEU A 85 1.563 3.462 -7.114 1.00 0.00 O ATOM 1304 CB LEU A 85 2.012 5.566 -5.035 1.00 0.00 C ATOM 1305 CG LEU A 85 2.962 4.413 -4.706 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.311 4.598 -5.403 1.00 0.00 C ATOM 1307 CD2 LEU A 85 3.117 4.245 -3.193 1.00 0.00 C ATOM 0 H LEU A 85 -0.357 5.442 -6.462 1.00 0.00 H new ATOM 0 HA LEU A 85 2.372 6.586 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.436 6.486 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.070 5.394 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 85 2.525 3.491 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.967 3.765 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.162 4.630 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.767 5.531 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.797 3.419 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.520 5.163 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.144 4.034 -2.749 1.00 0.00 H new ATOM 1319 N ASP A 86 2.800 4.814 -8.438 1.00 0.00 N ATOM 1320 CA ASP A 86 3.179 3.754 -9.356 1.00 0.00 C ATOM 1321 C ASP A 86 4.544 3.195 -8.949 1.00 0.00 C ATOM 1322 O ASP A 86 5.574 3.818 -9.200 1.00 0.00 O ATOM 1323 CB ASP A 86 3.293 4.280 -10.789 1.00 0.00 C ATOM 1324 CG ASP A 86 2.500 5.557 -11.073 1.00 0.00 C ATOM 1325 OD1 ASP A 86 2.748 6.550 -10.357 1.00 0.00 O ATOM 1326 OD2 ASP A 86 1.663 5.510 -12.001 1.00 0.00 O ATOM 0 H ASP A 86 3.179 5.733 -8.668 1.00 0.00 H new ATOM 0 HA ASP A 86 2.410 2.983 -9.314 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.344 4.466 -11.009 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.957 3.501 -11.474 1.00 0.00 H new ATOM 1331 N TYR A 87 4.507 2.026 -8.326 1.00 0.00 N ATOM 1332 CA TYR A 87 5.728 1.376 -7.880 1.00 0.00 C ATOM 1333 C TYR A 87 6.346 0.541 -9.004 1.00 0.00 C ATOM 1334 O TYR A 87 5.694 -0.345 -9.554 1.00 0.00 O ATOM 1335 CB TYR A 87 5.317 0.446 -6.737 1.00 0.00 C ATOM 1336 CG TYR A 87 6.440 0.155 -5.739 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.625 0.980 -4.648 1.00 0.00 C ATOM 1338 CD2 TYR A 87 7.267 -0.934 -5.929 1.00 0.00 C ATOM 1339 CE1 TYR A 87 7.682 0.706 -3.709 1.00 0.00 C ATOM 1340 CE2 TYR A 87 8.323 -1.208 -4.990 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.479 -0.375 -3.926 1.00 0.00 C ATOM 1342 OH TYR A 87 9.476 -0.634 -3.039 1.00 0.00 O ATOM 0 H TYR A 87 3.650 1.512 -8.120 1.00 0.00 H new ATOM 0 HA TYR A 87 6.467 2.116 -7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.477 0.891 -6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.965 -0.496 -7.157 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.977 1.831 -4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 87 7.122 -1.580 -6.782 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.838 1.344 -2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.977 -2.056 -5.127 1.00 0.00 H new ATOM 0 HH TYR A 87 9.963 -1.437 -3.320 1.00 0.00 H new ATOM 1352 N VAL A 88 7.596 0.854 -9.311 1.00 0.00 N ATOM 1353 CA VAL A 88 8.309 0.144 -10.359 1.00 0.00 C ATOM 1354 C VAL A 88 8.713 -1.240 -9.848 1.00 0.00 C ATOM 1355 O VAL A 88 8.904 -1.430 -8.647 1.00 0.00 O ATOM 1356 CB VAL A 88 9.501 0.976 -10.838 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.402 0.159 -11.765 1.00 0.00 C ATOM 1358 CG2 VAL A 88 9.032 2.263 -11.521 1.00 0.00 C ATOM 0 H VAL A 88 8.133 1.590 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 88 7.665 -0.005 -11.225 1.00 0.00 H new ATOM 0 HB VAL A 88 10.088 1.256 -9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.241 0.773 -12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.777 -0.714 -11.231 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.831 -0.166 -12.635 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.898 2.836 -11.852 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.412 2.013 -12.382 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.451 2.858 -10.816 1.00 0.00 H new ATOM 1368 N VAL A 89 8.831 -2.170 -10.783 1.00 0.00 N ATOM 1369 CA VAL A 89 9.209 -3.531 -10.442 1.00 0.00 C ATOM 1370 C VAL A 89 10.398 -3.958 -11.306 1.00 0.00 C ATOM 1371 O VAL A 89 10.305 -3.972 -12.532 1.00 0.00 O ATOM 1372 CB VAL A 89 8.002 -4.461 -10.585 1.00 0.00 C ATOM 1373 CG1 VAL A 89 8.305 -5.845 -10.006 1.00 0.00 C ATOM 1374 CG2 VAL A 89 6.761 -3.852 -9.930 1.00 0.00 C ATOM 0 H VAL A 89 8.672 -2.008 -11.777 1.00 0.00 H new ATOM 0 HA VAL A 89 9.526 -3.589 -9.401 1.00 0.00 H new ATOM 0 HB VAL A 89 7.795 -4.581 -11.648 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.431 -6.486 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.150 -6.284 -10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.550 -5.751 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.917 -4.533 -10.046 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.953 -3.688 -8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.527 -2.900 -10.407 1.00 0.00 H new ATOM 1384 N ASP A 90 11.488 -4.294 -10.631 1.00 0.00 N ATOM 1385 CA ASP A 90 12.693 -4.720 -11.322 1.00 0.00 C ATOM 1386 C ASP A 90 13.642 -5.381 -10.321 1.00 0.00 C ATOM 1387 O ASP A 90 13.309 -5.525 -9.145 1.00 0.00 O ATOM 1388 CB ASP A 90 13.421 -3.527 -11.946 1.00 0.00 C ATOM 1389 CG ASP A 90 12.632 -2.781 -13.024 1.00 0.00 C ATOM 1390 OD1 ASP A 90 12.272 -3.440 -14.023 1.00 0.00 O ATOM 1391 OD2 ASP A 90 12.406 -1.568 -12.824 1.00 0.00 O ATOM 0 H ASP A 90 11.562 -4.280 -9.614 1.00 0.00 H new ATOM 0 HA ASP A 90 12.403 -5.417 -12.108 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.680 -2.824 -11.154 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.357 -3.878 -12.380 1.00 0.00 H new ATOM 1396 N PHE A 91 14.806 -5.767 -10.823 1.00 0.00 N ATOM 1397 CA PHE A 91 15.806 -6.410 -9.988 1.00 0.00 C ATOM 1398 C PHE A 91 15.148 -7.296 -8.928 1.00 0.00 C ATOM 1399 O PHE A 91 14.158 -7.971 -9.206 1.00 0.00 O ATOM 1400 CB PHE A 91 16.589 -5.296 -9.289 1.00 0.00 C ATOM 1401 CG PHE A 91 18.037 -5.664 -8.961 1.00 0.00 C ATOM 1402 CD1 PHE A 91 18.833 -6.211 -9.919 1.00 0.00 C ATOM 1403 CD2 PHE A 91 18.528 -5.446 -7.712 1.00 0.00 C ATOM 1404 CE1 PHE A 91 20.177 -6.553 -9.614 1.00 0.00 C ATOM 1405 CE2 PHE A 91 19.872 -5.788 -7.407 1.00 0.00 C ATOM 1406 CZ PHE A 91 20.668 -6.334 -8.365 1.00 0.00 C ATOM 0 H PHE A 91 15.079 -5.647 -11.798 1.00 0.00 H new ATOM 0 HA PHE A 91 16.452 -7.040 -10.600 1.00 0.00 H new ATOM 0 HB2 PHE A 91 16.585 -4.410 -9.924 1.00 0.00 H new ATOM 0 HB3 PHE A 91 16.075 -5.029 -8.366 1.00 0.00 H new ATOM 0 HD1 PHE A 91 18.443 -6.385 -10.911 1.00 0.00 H new ATOM 0 HD2 PHE A 91 17.895 -5.013 -6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 91 20.809 -6.987 -10.374 1.00 0.00 H new ATOM 0 HE2 PHE A 91 20.262 -5.615 -6.415 1.00 0.00 H new ATOM 0 HZ PHE A 91 21.690 -6.594 -8.134 1.00 0.00 H new ATOM 1416 N MET A 92 15.724 -7.265 -7.736 1.00 0.00 N ATOM 1417 CA MET A 92 15.206 -8.057 -6.633 1.00 0.00 C ATOM 1418 C MET A 92 14.142 -7.282 -5.854 1.00 0.00 C ATOM 1419 O MET A 92 13.703 -7.720 -4.792 1.00 0.00 O ATOM 1420 CB MET A 92 16.352 -8.436 -5.693 1.00 0.00 C ATOM 1421 CG MET A 92 16.656 -9.934 -5.776 1.00 0.00 C ATOM 1422 SD MET A 92 18.400 -10.188 -6.057 1.00 0.00 S ATOM 1423 CE MET A 92 18.333 -11.529 -7.232 1.00 0.00 C ATOM 0 H MET A 92 16.545 -6.704 -7.509 1.00 0.00 H new ATOM 0 HA MET A 92 14.747 -8.957 -7.042 1.00 0.00 H new ATOM 0 HB2 MET A 92 17.244 -7.865 -5.952 1.00 0.00 H new ATOM 0 HB3 MET A 92 16.090 -8.170 -4.669 1.00 0.00 H new ATOM 0 HG2 MET A 92 16.352 -10.427 -4.852 1.00 0.00 H new ATOM 0 HG3 MET A 92 16.080 -10.386 -6.583 1.00 0.00 H new ATOM 0 HE1 MET A 92 19.346 -11.815 -7.516 1.00 0.00 H new ATOM 0 HE2 MET A 92 17.828 -12.383 -6.781 1.00 0.00 H new ATOM 0 HE3 MET A 92 17.784 -11.210 -8.118 1.00 0.00 H new ATOM 1433 N GLY A 93 13.757 -6.144 -6.413 1.00 0.00 N ATOM 1434 CA GLY A 93 12.752 -5.303 -5.783 1.00 0.00 C ATOM 1435 C GLY A 93 12.003 -4.471 -6.826 1.00 0.00 C ATOM 1436 O GLY A 93 11.118 -4.979 -7.512 1.00 0.00 O ATOM 0 H GLY A 93 14.122 -5.784 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.046 -5.924 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.228 -4.642 -5.058 1.00 0.00 H new ATOM 1440 N GLY A 94 12.386 -3.205 -6.911 1.00 0.00 N ATOM 1441 CA GLY A 94 11.761 -2.297 -7.858 1.00 0.00 C ATOM 1442 C GLY A 94 12.147 -0.846 -7.562 1.00 0.00 C ATOM 1443 O GLY A 94 13.188 -0.587 -6.961 1.00 0.00 O ATOM 0 H GLY A 94 13.121 -2.787 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.064 -2.558 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.677 -2.406 -7.811 1.00 0.00 H new ATOM 1447 N GLY A 95 11.286 0.062 -7.998 1.00 0.00 N ATOM 1448 CA GLY A 95 11.524 1.480 -7.787 1.00 0.00 C ATOM 1449 C GLY A 95 10.263 2.177 -7.271 1.00 0.00 C ATOM 1450 O GLY A 95 9.217 1.546 -7.125 1.00 0.00 O ATOM 0 H GLY A 95 10.423 -0.156 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.336 1.614 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.843 1.942 -8.721 1.00 0.00 H new ATOM 1454 N PHE A 96 10.405 3.467 -7.008 1.00 0.00 N ATOM 1455 CA PHE A 96 9.290 4.256 -6.510 1.00 0.00 C ATOM 1456 C PHE A 96 9.030 5.466 -7.410 1.00 0.00 C ATOM 1457 O PHE A 96 9.948 6.223 -7.720 1.00 0.00 O ATOM 1458 CB PHE A 96 9.678 4.748 -5.115 1.00 0.00 C ATOM 1459 CG PHE A 96 10.706 3.864 -4.406 1.00 0.00 C ATOM 1460 CD1 PHE A 96 10.306 2.724 -3.781 1.00 0.00 C ATOM 1461 CD2 PHE A 96 12.020 4.216 -4.402 1.00 0.00 C ATOM 1462 CE1 PHE A 96 11.260 1.903 -3.123 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.973 3.395 -3.745 1.00 0.00 C ATOM 1464 CZ PHE A 96 12.573 2.256 -3.119 1.00 0.00 C ATOM 0 H PHE A 96 11.274 3.986 -7.130 1.00 0.00 H new ATOM 0 HA PHE A 96 8.384 3.650 -6.490 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.078 5.759 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.780 4.808 -4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.263 2.443 -3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 96 12.338 5.121 -4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.943 0.998 -2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 96 14.016 3.675 -3.742 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.298 1.632 -2.619 1.00 0.00 H new ATOM 1474 N THR A 97 7.773 5.609 -7.806 1.00 0.00 N ATOM 1475 CA THR A 97 7.380 6.713 -8.664 1.00 0.00 C ATOM 1476 C THR A 97 6.019 7.265 -8.234 1.00 0.00 C ATOM 1477 O THR A 97 5.142 6.509 -7.819 1.00 0.00 O ATOM 1478 CB THR A 97 7.405 6.219 -10.112 1.00 0.00 C ATOM 1479 OG1 THR A 97 8.789 6.009 -10.383 1.00 0.00 O ATOM 1480 CG2 THR A 97 6.991 7.303 -11.108 1.00 0.00 C ATOM 0 H THR A 97 7.014 4.978 -7.548 1.00 0.00 H new ATOM 0 HA THR A 97 8.076 7.547 -8.578 1.00 0.00 H new ATOM 0 HB THR A 97 6.741 5.360 -10.214 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.897 5.686 -11.302 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.026 6.900 -12.120 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.977 7.634 -10.884 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.674 8.149 -11.030 1.00 0.00 H new ATOM 1488 N ILE A 98 5.885 8.578 -8.349 1.00 0.00 N ATOM 1489 CA ILE A 98 4.646 9.239 -7.977 1.00 0.00 C ATOM 1490 C ILE A 98 4.075 9.965 -9.197 1.00 0.00 C ATOM 1491 O ILE A 98 4.805 10.643 -9.919 1.00 0.00 O ATOM 1492 CB ILE A 98 4.866 10.149 -6.767 1.00 0.00 C ATOM 1493 CG1 ILE A 98 5.179 9.329 -5.514 1.00 0.00 C ATOM 1494 CG2 ILE A 98 3.672 11.083 -6.559 1.00 0.00 C ATOM 1495 CD1 ILE A 98 3.931 8.601 -5.010 1.00 0.00 C ATOM 0 H ILE A 98 6.614 9.202 -8.695 1.00 0.00 H new ATOM 0 HA ILE A 98 3.902 8.506 -7.664 1.00 0.00 H new ATOM 0 HB ILE A 98 5.735 10.777 -6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.963 8.604 -5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.563 9.985 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.854 11.719 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.538 11.705 -7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.772 10.491 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.181 8.025 -4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.158 9.330 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.564 7.928 -5.785 1.00 0.00 H new ATOM 1507 N ARG A 99 2.775 9.799 -9.389 1.00 0.00 N ATOM 1508 CA ARG A 99 2.097 10.430 -10.509 1.00 0.00 C ATOM 1509 C ARG A 99 1.027 11.400 -10.004 1.00 0.00 C ATOM 1510 O ARG A 99 0.371 11.136 -8.998 1.00 0.00 O ATOM 1511 CB ARG A 99 1.442 9.386 -11.416 1.00 0.00 C ATOM 1512 CG ARG A 99 2.320 9.089 -12.633 1.00 0.00 C ATOM 1513 CD ARG A 99 1.556 8.267 -13.673 1.00 0.00 C ATOM 1514 NE ARG A 99 1.886 8.742 -15.035 1.00 0.00 N ATOM 1515 CZ ARG A 99 1.539 9.944 -15.517 1.00 0.00 C ATOM 1516 NH1 ARG A 99 0.850 10.799 -14.750 1.00 0.00 N ATOM 1517 NH2 ARG A 99 1.882 10.290 -16.765 1.00 0.00 N ATOM 0 H ARG A 99 2.173 9.237 -8.788 1.00 0.00 H new ATOM 0 HA ARG A 99 2.845 10.976 -11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.270 8.468 -10.854 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.467 9.746 -11.745 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.657 10.024 -13.080 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.212 8.546 -12.319 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.812 7.212 -13.575 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.483 8.352 -13.499 1.00 0.00 H new ATOM 0 HE ARG A 99 2.410 8.116 -15.646 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.590 10.536 -13.800 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.586 11.714 -15.116 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.407 9.639 -17.349 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.618 11.204 -17.132 1.00 0.00 H new ATOM 1531 N ASN A 100 0.885 12.502 -10.726 1.00 0.00 N ATOM 1532 CA ASN A 100 -0.094 13.512 -10.363 1.00 0.00 C ATOM 1533 C ASN A 100 -1.058 13.725 -11.532 1.00 0.00 C ATOM 1534 O ASN A 100 -0.680 13.563 -12.691 1.00 0.00 O ATOM 1535 CB ASN A 100 0.582 14.851 -10.059 1.00 0.00 C ATOM 1536 CG ASN A 100 0.743 15.054 -8.551 1.00 0.00 C ATOM 1537 OD1 ASN A 100 1.432 14.314 -7.869 1.00 0.00 O ATOM 1538 ND2 ASN A 100 0.069 16.095 -8.071 1.00 0.00 N ATOM 0 H ASN A 100 1.431 12.717 -11.560 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.623 13.165 -9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.559 14.887 -10.541 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.010 15.665 -10.478 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.110 16.314 -7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.489 16.674 -8.698 1.00 0.00 H new ATOM 1545 N PRO A 101 -2.319 14.093 -11.178 1.00 0.00 N ATOM 1546 CA PRO A 101 -3.340 14.329 -12.184 1.00 0.00 C ATOM 1547 C PRO A 101 -3.112 15.665 -12.894 1.00 0.00 C ATOM 1548 O PRO A 101 -3.966 16.549 -12.850 1.00 0.00 O ATOM 1549 CB PRO A 101 -4.657 14.276 -11.427 1.00 0.00 C ATOM 1550 CG PRO A 101 -4.305 14.476 -9.962 1.00 0.00 C ATOM 1551 CD PRO A 101 -2.803 14.294 -9.815 1.00 0.00 C ATOM 0 HA PRO A 101 -3.324 13.587 -12.982 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.338 15.053 -11.774 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.158 13.320 -11.581 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.603 15.470 -9.630 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.839 13.758 -9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.341 15.168 -9.356 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.568 13.439 -9.181 1.00 0.00 H new TER 1559 PRO A 101