USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 6:sc= 0.497 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 13:sc= 0.217! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 145:sc= 0.125 USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00395 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.79! C(o=-5.8!,f=-6.4!) USER MOD Single : A 23 GLN : amide:sc= -3.63! C(o=-3.6!,f=-5.1!) USER MOD Single : A 29 ASN : amide:sc= -0.0305 K(o=-0.031,f=-0.79) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= -0.0989 (180deg=-1.11) USER MOD Single : A 39 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.4) USER MOD Single : A 41 SER OG : rot -52:sc= 0.75 USER MOD Single : A 42 ASN : amide:sc= 0.744 K(o=0.74,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.446 K(o=-0.45,f=-1.2) USER MOD Single : A 48 THR OG1 : rot 180:sc=0.000964 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.397 K(o=0.4,f=-0.26) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.455 -15.745 -22.290 1.00 0.00 N ATOM 2 CA GLY A 1 18.838 -15.763 -22.730 1.00 0.00 C ATOM 3 C GLY A 1 19.532 -14.432 -22.515 1.00 0.00 C ATOM 4 O GLY A 1 19.213 -13.444 -23.176 1.00 0.00 O ATOM 0 H1 GLY A 1 17.025 -16.677 -22.458 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.417 -15.524 -21.274 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.931 -15.021 -22.822 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.377 -16.542 -22.191 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.876 -16.023 -23.788 1.00 0.00 H new ATOM 8 N SER A 2 20.482 -14.405 -21.585 1.00 0.00 N ATOM 9 CA SER A 2 21.218 -13.185 -21.280 1.00 0.00 C ATOM 10 C SER A 2 20.281 -11.982 -21.234 1.00 0.00 C ATOM 11 O SER A 2 20.605 -10.908 -21.742 1.00 0.00 O ATOM 12 CB SER A 2 22.315 -12.952 -22.322 1.00 0.00 C ATOM 13 OG SER A 2 21.758 -12.648 -23.589 1.00 0.00 O ATOM 0 H SER A 2 20.759 -15.215 -21.030 1.00 0.00 H new ATOM 0 HA SER A 2 21.678 -13.303 -20.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.960 -12.135 -21.999 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.941 -13.841 -22.400 1.00 0.00 H new ATOM 0 HG SER A 2 20.785 -12.566 -23.507 1.00 0.00 H new ATOM 19 N SER A 3 19.117 -12.170 -20.621 1.00 0.00 N ATOM 20 CA SER A 3 18.130 -11.102 -20.511 1.00 0.00 C ATOM 21 C SER A 3 18.528 -10.104 -19.429 1.00 0.00 C ATOM 22 O SER A 3 19.278 -10.433 -18.510 1.00 0.00 O ATOM 23 CB SER A 3 16.750 -11.685 -20.201 1.00 0.00 C ATOM 24 OG SER A 3 15.719 -10.809 -20.623 1.00 0.00 O ATOM 0 H SER A 3 18.834 -13.052 -20.193 1.00 0.00 H new ATOM 0 HA SER A 3 18.089 -10.578 -21.466 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.639 -12.649 -20.698 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.661 -11.867 -19.130 1.00 0.00 H new ATOM 0 HG SER A 3 14.847 -11.206 -20.415 1.00 0.00 H new ATOM 30 N GLY A 4 18.019 -8.881 -19.544 1.00 0.00 N ATOM 31 CA GLY A 4 18.332 -7.852 -18.570 1.00 0.00 C ATOM 32 C GLY A 4 17.104 -7.086 -18.120 1.00 0.00 C ATOM 33 O GLY A 4 16.152 -6.923 -18.884 1.00 0.00 O ATOM 0 H GLY A 4 17.395 -8.585 -20.295 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.809 -8.310 -17.703 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.053 -7.156 -19.000 1.00 0.00 H new ATOM 37 N SER A 5 17.123 -6.617 -16.877 1.00 0.00 N ATOM 38 CA SER A 5 16.000 -5.869 -16.325 1.00 0.00 C ATOM 39 C SER A 5 15.529 -4.795 -17.301 1.00 0.00 C ATOM 40 O SER A 5 16.338 -4.136 -17.954 1.00 0.00 O ATOM 41 CB SER A 5 16.393 -5.226 -14.993 1.00 0.00 C ATOM 42 OG SER A 5 16.770 -6.208 -14.044 1.00 0.00 O ATOM 0 H SER A 5 17.904 -6.742 -16.233 1.00 0.00 H new ATOM 0 HA SER A 5 15.180 -6.567 -16.156 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.219 -4.532 -15.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.557 -4.644 -14.606 1.00 0.00 H new ATOM 0 HG SER A 5 17.018 -5.771 -13.202 1.00 0.00 H new ATOM 48 N SER A 6 14.214 -4.626 -17.396 1.00 0.00 N ATOM 49 CA SER A 6 13.633 -3.636 -18.295 1.00 0.00 C ATOM 50 C SER A 6 12.430 -2.955 -17.650 1.00 0.00 C ATOM 51 O SER A 6 11.926 -3.404 -16.621 1.00 0.00 O ATOM 52 CB SER A 6 13.215 -4.295 -19.611 1.00 0.00 C ATOM 53 OG SER A 6 13.144 -3.343 -20.658 1.00 0.00 O ATOM 0 H SER A 6 13.531 -5.162 -16.861 1.00 0.00 H new ATOM 0 HA SER A 6 14.390 -2.879 -18.500 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.929 -5.076 -19.873 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.246 -4.778 -19.488 1.00 0.00 H new ATOM 0 HG SER A 6 12.877 -3.789 -21.488 1.00 0.00 H new ATOM 59 N GLY A 7 11.975 -1.866 -18.262 1.00 0.00 N ATOM 60 CA GLY A 7 10.836 -1.139 -17.734 1.00 0.00 C ATOM 61 C GLY A 7 9.540 -1.913 -17.872 1.00 0.00 C ATOM 62 O GLY A 7 8.878 -2.211 -16.878 1.00 0.00 O ATOM 0 H GLY A 7 12.375 -1.474 -19.114 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.010 -0.912 -16.682 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.744 -0.186 -18.255 1.00 0.00 H new ATOM 66 N ARG A 8 9.175 -2.239 -19.108 1.00 0.00 N ATOM 67 CA ARG A 8 7.948 -2.980 -19.372 1.00 0.00 C ATOM 68 C ARG A 8 6.803 -2.463 -18.507 1.00 0.00 C ATOM 69 O ARG A 8 6.016 -3.242 -17.971 1.00 0.00 O ATOM 70 CB ARG A 8 8.163 -4.473 -19.113 1.00 0.00 C ATOM 71 CG ARG A 8 8.712 -5.226 -20.314 1.00 0.00 C ATOM 72 CD ARG A 8 9.184 -6.620 -19.928 1.00 0.00 C ATOM 73 NE ARG A 8 10.117 -7.172 -20.907 1.00 0.00 N ATOM 74 CZ ARG A 8 10.905 -8.213 -20.665 1.00 0.00 C ATOM 75 NH1 ARG A 8 10.873 -8.813 -19.483 1.00 0.00 N ATOM 76 NH2 ARG A 8 11.727 -8.658 -21.606 1.00 0.00 N ATOM 0 H ARG A 8 9.712 -2.001 -19.942 1.00 0.00 H new ATOM 0 HA ARG A 8 7.684 -2.834 -20.419 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.849 -4.593 -18.275 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.215 -4.922 -18.815 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.942 -5.301 -21.081 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.541 -4.667 -20.748 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.664 -6.582 -18.950 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.323 -7.282 -19.835 1.00 0.00 H new ATOM 0 HE ARG A 8 10.166 -6.734 -21.827 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.242 -8.475 -18.756 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.480 -9.612 -19.300 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.755 -8.200 -22.517 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.332 -9.458 -21.418 1.00 0.00 H new ATOM 90 N SER A 9 6.718 -1.143 -18.376 1.00 0.00 N ATOM 91 CA SER A 9 5.672 -0.521 -17.572 1.00 0.00 C ATOM 92 C SER A 9 4.289 -0.904 -18.090 1.00 0.00 C ATOM 93 O SER A 9 3.998 -0.763 -19.278 1.00 0.00 O ATOM 94 CB SER A 9 5.829 1.001 -17.582 1.00 0.00 C ATOM 95 OG SER A 9 5.364 1.554 -18.801 1.00 0.00 O ATOM 0 H SER A 9 7.360 -0.484 -18.816 1.00 0.00 H new ATOM 0 HA SER A 9 5.771 -0.883 -16.549 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.275 1.432 -16.749 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.877 1.263 -17.437 1.00 0.00 H new ATOM 0 HG SER A 9 4.857 0.876 -19.295 1.00 0.00 H new ATOM 101 N SER A 10 3.440 -1.389 -17.190 1.00 0.00 N ATOM 102 CA SER A 10 2.088 -1.797 -17.555 1.00 0.00 C ATOM 103 C SER A 10 1.074 -1.291 -16.534 1.00 0.00 C ATOM 104 O SER A 10 1.250 -1.467 -15.328 1.00 0.00 O ATOM 105 CB SER A 10 2.004 -3.320 -17.663 1.00 0.00 C ATOM 106 OG SER A 10 0.657 -3.753 -17.738 1.00 0.00 O ATOM 0 H SER A 10 3.664 -1.509 -16.202 1.00 0.00 H new ATOM 0 HA SER A 10 1.851 -1.358 -18.524 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.547 -3.655 -18.547 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.488 -3.776 -16.800 1.00 0.00 H new ATOM 0 HG SER A 10 0.631 -4.730 -17.808 1.00 0.00 H new ATOM 112 N ARG A 11 0.012 -0.662 -17.026 1.00 0.00 N ATOM 113 CA ARG A 11 -1.031 -0.130 -16.157 1.00 0.00 C ATOM 114 C ARG A 11 -2.092 -1.188 -15.869 1.00 0.00 C ATOM 115 O ARG A 11 -3.166 -1.187 -16.473 1.00 0.00 O ATOM 116 CB ARG A 11 -1.681 1.098 -16.798 1.00 0.00 C ATOM 117 CG ARG A 11 -2.328 0.812 -18.143 1.00 0.00 C ATOM 118 CD ARG A 11 -2.438 2.072 -18.988 1.00 0.00 C ATOM 119 NE ARG A 11 -2.916 1.785 -20.338 1.00 0.00 N ATOM 120 CZ ARG A 11 -2.733 2.600 -21.371 1.00 0.00 C ATOM 121 NH1 ARG A 11 -2.085 3.745 -21.209 1.00 0.00 N ATOM 122 NH2 ARG A 11 -3.198 2.270 -22.569 1.00 0.00 N ATOM 0 H ARG A 11 -0.149 -0.508 -18.021 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.569 0.162 -15.214 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.435 1.496 -16.119 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.926 1.874 -16.925 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.743 0.064 -18.678 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.320 0.389 -17.988 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.117 2.775 -18.505 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.464 2.557 -19.044 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.418 0.911 -20.496 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.726 4.002 -20.290 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.946 4.369 -22.004 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.697 1.390 -22.698 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.057 2.897 -23.361 1.00 0.00 H new ATOM 136 N THR A 12 -1.784 -2.091 -14.943 1.00 0.00 N ATOM 137 CA THR A 12 -2.710 -3.155 -14.577 1.00 0.00 C ATOM 138 C THR A 12 -4.060 -2.589 -14.154 1.00 0.00 C ATOM 139 O THR A 12 -5.108 -3.140 -14.492 1.00 0.00 O ATOM 140 CB THR A 12 -2.147 -4.019 -13.432 1.00 0.00 C ATOM 141 OG1 THR A 12 -0.906 -4.612 -13.830 1.00 0.00 O ATOM 142 CG2 THR A 12 -3.134 -5.108 -13.040 1.00 0.00 C ATOM 0 H THR A 12 -0.901 -2.106 -14.433 1.00 0.00 H new ATOM 0 HA THR A 12 -2.842 -3.777 -15.462 1.00 0.00 H new ATOM 0 HB THR A 12 -1.980 -3.375 -12.569 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.305 -4.662 -13.058 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.715 -5.705 -12.230 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.067 -4.652 -12.709 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.329 -5.749 -13.900 1.00 0.00 H new ATOM 150 N ARG A 13 -4.029 -1.485 -13.415 1.00 0.00 N ATOM 151 CA ARG A 13 -5.251 -0.844 -12.946 1.00 0.00 C ATOM 152 C ARG A 13 -5.916 -1.674 -11.852 1.00 0.00 C ATOM 153 O ARG A 13 -7.100 -2.000 -11.938 1.00 0.00 O ATOM 154 CB ARG A 13 -6.224 -0.641 -14.109 1.00 0.00 C ATOM 155 CG ARG A 13 -7.220 0.484 -13.881 1.00 0.00 C ATOM 156 CD ARG A 13 -6.685 1.814 -14.390 1.00 0.00 C ATOM 157 NE ARG A 13 -7.735 2.823 -14.494 1.00 0.00 N ATOM 158 CZ ARG A 13 -7.667 3.873 -15.305 1.00 0.00 C ATOM 159 NH1 ARG A 13 -6.605 4.049 -16.080 1.00 0.00 N ATOM 160 NH2 ARG A 13 -8.664 4.748 -15.344 1.00 0.00 N ATOM 0 H ARG A 13 -3.170 -1.016 -13.128 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.985 0.127 -12.529 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.655 -0.433 -15.015 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.770 -1.569 -14.281 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.157 0.250 -14.387 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.443 0.564 -12.817 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.904 2.171 -13.719 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.224 1.669 -15.367 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.566 2.716 -13.912 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.838 3.377 -16.054 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.555 4.856 -16.702 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.483 4.615 -14.751 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.611 5.554 -15.967 1.00 0.00 H new ATOM 174 N PHE A 14 -5.145 -2.015 -10.824 1.00 0.00 N ATOM 175 CA PHE A 14 -5.657 -2.809 -9.714 1.00 0.00 C ATOM 176 C PHE A 14 -6.796 -2.082 -9.006 1.00 0.00 C ATOM 177 O PHE A 14 -7.009 -0.886 -9.212 1.00 0.00 O ATOM 178 CB PHE A 14 -4.537 -3.117 -8.719 1.00 0.00 C ATOM 179 CG PHE A 14 -3.246 -3.517 -9.374 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.350 -2.557 -9.815 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.929 -4.855 -9.550 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.162 -2.922 -10.419 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.742 -5.226 -10.152 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.858 -4.258 -10.588 1.00 0.00 C ATOM 0 H PHE A 14 -4.163 -1.753 -10.737 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.042 -3.746 -10.117 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.363 -2.239 -8.097 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.862 -3.918 -8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.583 -1.510 -9.685 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.617 -5.616 -9.213 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.472 -2.163 -10.758 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.505 -6.272 -10.282 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.070 -4.546 -11.060 1.00 0.00 H new ATOM 194 N THR A 15 -7.528 -2.812 -8.169 1.00 0.00 N ATOM 195 CA THR A 15 -8.646 -2.239 -7.432 1.00 0.00 C ATOM 196 C THR A 15 -8.313 -2.097 -5.951 1.00 0.00 C ATOM 197 O THR A 15 -7.489 -2.840 -5.416 1.00 0.00 O ATOM 198 CB THR A 15 -9.917 -3.097 -7.581 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.012 -2.473 -6.900 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.695 -4.494 -7.022 1.00 0.00 C ATOM 0 H THR A 15 -7.365 -3.802 -7.985 1.00 0.00 H new ATOM 0 HA THR A 15 -8.831 -1.252 -7.856 1.00 0.00 H new ATOM 0 HB THR A 15 -10.150 -3.181 -8.642 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.816 -3.024 -7.001 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.606 -5.081 -7.138 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.880 -4.977 -7.562 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.439 -4.426 -5.965 1.00 0.00 H new ATOM 208 N ASP A 16 -8.959 -1.141 -5.293 1.00 0.00 N ATOM 209 CA ASP A 16 -8.732 -0.903 -3.872 1.00 0.00 C ATOM 210 C ASP A 16 -8.457 -2.213 -3.139 1.00 0.00 C ATOM 211 O ASP A 16 -7.528 -2.304 -2.337 1.00 0.00 O ATOM 212 CB ASP A 16 -9.941 -0.201 -3.251 1.00 0.00 C ATOM 213 CG ASP A 16 -10.130 1.205 -3.785 1.00 0.00 C ATOM 214 OD1 ASP A 16 -9.115 1.873 -4.074 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.294 1.638 -3.914 1.00 0.00 O ATOM 0 H ASP A 16 -9.644 -0.518 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.857 -0.260 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.839 -0.786 -3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.819 -0.162 -2.169 1.00 0.00 H new ATOM 220 N TYR A 17 -9.272 -3.224 -3.420 1.00 0.00 N ATOM 221 CA TYR A 17 -9.119 -4.528 -2.785 1.00 0.00 C ATOM 222 C TYR A 17 -7.698 -5.054 -2.958 1.00 0.00 C ATOM 223 O TYR A 17 -7.081 -5.530 -2.006 1.00 0.00 O ATOM 224 CB TYR A 17 -10.119 -5.524 -3.372 1.00 0.00 C ATOM 225 CG TYR A 17 -9.671 -6.965 -3.268 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.168 -7.472 -2.076 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.750 -7.818 -4.361 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.756 -8.786 -1.976 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.342 -9.135 -4.270 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.846 -9.614 -3.076 1.00 0.00 C ATOM 231 OH TYR A 17 -8.437 -10.925 -2.981 1.00 0.00 O ATOM 0 H TYR A 17 -10.045 -3.166 -4.083 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.316 -4.411 -1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.074 -5.411 -2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.289 -5.280 -4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.098 -6.827 -1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.137 -7.446 -5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.366 -9.163 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.411 -9.786 -5.129 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.568 -11.372 -3.843 1.00 0.00 H new ATOM 241 N GLN A 18 -7.185 -4.965 -4.181 1.00 0.00 N ATOM 242 CA GLN A 18 -5.837 -5.432 -4.480 1.00 0.00 C ATOM 243 C GLN A 18 -4.793 -4.441 -3.978 1.00 0.00 C ATOM 244 O GLN A 18 -3.832 -4.821 -3.308 1.00 0.00 O ATOM 245 CB GLN A 18 -5.671 -5.647 -5.986 1.00 0.00 C ATOM 246 CG GLN A 18 -6.677 -6.623 -6.576 1.00 0.00 C ATOM 247 CD GLN A 18 -6.125 -7.380 -7.767 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.605 -6.783 -8.710 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.237 -8.703 -7.732 1.00 0.00 N ATOM 0 H GLN A 18 -7.683 -4.574 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.687 -6.381 -3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.767 -4.688 -6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.663 -6.013 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.982 -7.334 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.571 -6.078 -6.879 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.675 -9.157 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.885 -9.265 -8.507 1.00 0.00 H new ATOM 258 N LEU A 19 -4.987 -3.168 -4.307 1.00 0.00 N ATOM 259 CA LEU A 19 -4.062 -2.120 -3.890 1.00 0.00 C ATOM 260 C LEU A 19 -3.946 -2.070 -2.369 1.00 0.00 C ATOM 261 O LEU A 19 -2.932 -1.629 -1.829 1.00 0.00 O ATOM 262 CB LEU A 19 -4.523 -0.763 -4.422 1.00 0.00 C ATOM 263 CG LEU A 19 -4.474 -0.586 -5.941 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.199 0.686 -6.353 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.033 -0.563 -6.428 1.00 0.00 C ATOM 0 H LEU A 19 -5.777 -2.837 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.080 -2.351 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.547 -0.593 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.907 0.012 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.979 -1.434 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.154 0.796 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.241 0.630 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.723 1.545 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.017 -0.436 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.503 0.265 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.545 -1.502 -6.165 1.00 0.00 H new ATOM 277 N ARG A 20 -4.991 -2.526 -1.686 1.00 0.00 N ATOM 278 CA ARG A 20 -5.006 -2.534 -0.228 1.00 0.00 C ATOM 279 C ARG A 20 -4.013 -3.555 0.320 1.00 0.00 C ATOM 280 O ARG A 20 -3.239 -3.257 1.230 1.00 0.00 O ATOM 281 CB ARG A 20 -6.412 -2.847 0.287 1.00 0.00 C ATOM 282 CG ARG A 20 -6.553 -2.710 1.794 1.00 0.00 C ATOM 283 CD ARG A 20 -6.375 -1.268 2.241 1.00 0.00 C ATOM 284 NE ARG A 20 -6.968 -1.025 3.554 1.00 0.00 N ATOM 285 CZ ARG A 20 -7.338 0.177 3.981 1.00 0.00 C ATOM 286 NH1 ARG A 20 -7.177 1.239 3.205 1.00 0.00 N ATOM 287 NH2 ARG A 20 -7.871 0.318 5.188 1.00 0.00 N ATOM 0 H ARG A 20 -5.838 -2.895 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.712 -1.544 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.124 -2.180 -0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.678 -3.863 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.535 -3.069 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.813 -3.339 2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.312 -1.027 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.831 -0.602 1.508 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.105 -1.821 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.768 1.135 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.462 2.161 3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.997 -0.497 5.788 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.155 1.241 5.515 1.00 0.00 H new ATOM 301 N VAL A 21 -4.042 -4.760 -0.239 1.00 0.00 N ATOM 302 CA VAL A 21 -3.144 -5.825 0.193 1.00 0.00 C ATOM 303 C VAL A 21 -1.720 -5.573 -0.290 1.00 0.00 C ATOM 304 O VAL A 21 -0.755 -5.809 0.438 1.00 0.00 O ATOM 305 CB VAL A 21 -3.614 -7.199 -0.322 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.651 -8.291 0.117 1.00 0.00 C ATOM 307 CG2 VAL A 21 -5.025 -7.495 0.163 1.00 0.00 C ATOM 0 H VAL A 21 -4.677 -5.024 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.159 -5.829 1.283 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.626 -7.175 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.999 -9.254 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.659 -8.084 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.604 -8.319 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.341 -8.469 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.041 -7.501 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.705 -6.727 -0.206 1.00 0.00 H new ATOM 317 N LEU A 22 -1.596 -5.093 -1.522 1.00 0.00 N ATOM 318 CA LEU A 22 -0.288 -4.808 -2.103 1.00 0.00 C ATOM 319 C LEU A 22 0.394 -3.657 -1.371 1.00 0.00 C ATOM 320 O LEU A 22 1.583 -3.727 -1.059 1.00 0.00 O ATOM 321 CB LEU A 22 -0.432 -4.469 -3.588 1.00 0.00 C ATOM 322 CG LEU A 22 -1.021 -5.567 -4.474 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.430 -5.001 -5.825 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.023 -6.703 -4.649 1.00 0.00 C ATOM 0 H LEU A 22 -2.384 -4.893 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 22 0.331 -5.699 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.059 -3.582 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.552 -4.205 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.911 -5.964 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.847 -5.797 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.180 -4.223 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.557 -4.577 -6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.459 -7.476 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.885 -6.321 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.220 -7.127 -3.675 1.00 0.00 H new ATOM 336 N GLN A 23 -0.366 -2.602 -1.098 1.00 0.00 N ATOM 337 CA GLN A 23 0.166 -1.438 -0.400 1.00 0.00 C ATOM 338 C GLN A 23 0.428 -1.755 1.069 1.00 0.00 C ATOM 339 O GLN A 23 1.417 -1.304 1.645 1.00 0.00 O ATOM 340 CB GLN A 23 -0.804 -0.261 -0.514 1.00 0.00 C ATOM 341 CG GLN A 23 -0.151 1.092 -0.280 1.00 0.00 C ATOM 342 CD GLN A 23 0.708 1.116 0.969 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.202 1.006 2.086 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.015 1.262 0.787 1.00 0.00 N ATOM 0 H GLN A 23 -1.352 -2.529 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 23 1.112 -1.167 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.257 -0.270 -1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.611 -0.395 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.462 1.350 -1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.925 1.856 -0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.392 1.350 -0.157 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.642 1.287 1.591 1.00 0.00 H new ATOM 353 N ASP A 24 -0.466 -2.534 1.668 1.00 0.00 N ATOM 354 CA ASP A 24 -0.331 -2.913 3.070 1.00 0.00 C ATOM 355 C ASP A 24 0.926 -3.748 3.289 1.00 0.00 C ATOM 356 O ASP A 24 1.604 -3.613 4.308 1.00 0.00 O ATOM 357 CB ASP A 24 -1.563 -3.694 3.530 1.00 0.00 C ATOM 358 CG ASP A 24 -1.501 -4.061 5.000 1.00 0.00 C ATOM 359 OD1 ASP A 24 -0.718 -4.967 5.352 1.00 0.00 O ATOM 360 OD2 ASP A 24 -2.236 -3.442 5.798 1.00 0.00 O ATOM 0 H ASP A 24 -1.291 -2.915 1.205 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.247 -2.001 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.457 -3.099 3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.656 -4.603 2.935 1.00 0.00 H new ATOM 365 N PHE A 25 1.232 -4.612 2.327 1.00 0.00 N ATOM 366 CA PHE A 25 2.407 -5.471 2.415 1.00 0.00 C ATOM 367 C PHE A 25 3.684 -4.672 2.176 1.00 0.00 C ATOM 368 O PHE A 25 4.747 -5.007 2.699 1.00 0.00 O ATOM 369 CB PHE A 25 2.308 -6.612 1.400 1.00 0.00 C ATOM 370 CG PHE A 25 3.273 -7.733 1.662 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.636 -7.545 1.500 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.816 -8.976 2.071 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.526 -8.574 1.742 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.701 -10.009 2.314 1.00 0.00 C ATOM 375 CZ PHE A 25 5.058 -9.808 2.148 1.00 0.00 C ATOM 0 H PHE A 25 0.682 -4.736 1.477 1.00 0.00 H new ATOM 0 HA PHE A 25 2.445 -5.891 3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.293 -7.008 1.408 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.487 -6.215 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.007 -6.582 1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.756 -9.139 2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.586 -8.413 1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.332 -10.973 2.633 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.751 -10.615 2.335 1.00 0.00 H new ATOM 385 N PHE A 26 3.572 -3.612 1.381 1.00 0.00 N ATOM 386 CA PHE A 26 4.718 -2.765 1.071 1.00 0.00 C ATOM 387 C PHE A 26 5.077 -1.879 2.260 1.00 0.00 C ATOM 388 O PHE A 26 6.247 -1.745 2.617 1.00 0.00 O ATOM 389 CB PHE A 26 4.420 -1.898 -0.154 1.00 0.00 C ATOM 390 CG PHE A 26 5.516 -0.924 -0.479 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.677 0.232 0.268 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.385 -1.164 -1.531 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.684 1.131 -0.030 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.394 -0.269 -1.833 1.00 0.00 C ATOM 395 CZ PHE A 26 7.545 0.879 -1.081 1.00 0.00 C ATOM 0 H PHE A 26 2.700 -3.320 0.940 1.00 0.00 H new ATOM 0 HA PHE A 26 5.568 -3.411 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.252 -2.545 -1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.495 -1.348 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.008 0.433 1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.273 -2.061 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.798 2.030 0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.064 -0.468 -2.657 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.334 1.578 -1.314 1.00 0.00 H new ATOM 405 N ASP A 27 4.062 -1.276 2.868 1.00 0.00 N ATOM 406 CA ASP A 27 4.269 -0.402 4.018 1.00 0.00 C ATOM 407 C ASP A 27 4.998 -1.140 5.136 1.00 0.00 C ATOM 408 O ASP A 27 5.703 -0.530 5.939 1.00 0.00 O ATOM 409 CB ASP A 27 2.929 0.130 4.529 1.00 0.00 C ATOM 410 CG ASP A 27 3.094 1.317 5.458 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.979 2.157 5.195 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.337 1.405 6.447 1.00 0.00 O ATOM 0 H ASP A 27 3.087 -1.376 2.584 1.00 0.00 H new ATOM 0 HA ASP A 27 4.886 0.438 3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.309 0.420 3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.401 -0.667 5.053 1.00 0.00 H new ATOM 417 N ALA A 28 4.822 -2.457 5.183 1.00 0.00 N ATOM 418 CA ALA A 28 5.463 -3.277 6.202 1.00 0.00 C ATOM 419 C ALA A 28 6.733 -3.929 5.663 1.00 0.00 C ATOM 420 O ALA A 28 7.735 -4.033 6.369 1.00 0.00 O ATOM 421 CB ALA A 28 4.498 -4.338 6.710 1.00 0.00 C ATOM 0 H ALA A 28 4.241 -2.978 4.527 1.00 0.00 H new ATOM 0 HA ALA A 28 5.743 -2.628 7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.991 -4.943 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.621 -3.856 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.190 -4.976 5.882 1.00 0.00 H new ATOM 427 N ASN A 29 6.682 -4.366 4.409 1.00 0.00 N ATOM 428 CA ASN A 29 7.828 -5.008 3.777 1.00 0.00 C ATOM 429 C ASN A 29 7.857 -4.718 2.279 1.00 0.00 C ATOM 430 O ASN A 29 6.893 -4.994 1.565 1.00 0.00 O ATOM 431 CB ASN A 29 7.787 -6.519 4.014 1.00 0.00 C ATOM 432 CG ASN A 29 9.090 -7.199 3.638 1.00 0.00 C ATOM 433 OD1 ASN A 29 10.171 -6.639 3.822 1.00 0.00 O ATOM 434 ND2 ASN A 29 8.992 -8.412 3.107 1.00 0.00 N ATOM 0 H ASN A 29 5.860 -4.287 3.811 1.00 0.00 H new ATOM 0 HA ASN A 29 8.734 -4.600 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.569 -6.714 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.973 -6.953 3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.834 -8.918 2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.075 -8.837 2.973 1.00 0.00 H new ATOM 441 N ALA A 30 8.968 -4.160 1.811 1.00 0.00 N ATOM 442 CA ALA A 30 9.124 -3.835 0.399 1.00 0.00 C ATOM 443 C ALA A 30 10.301 -4.588 -0.212 1.00 0.00 C ATOM 444 O ALA A 30 10.721 -4.300 -1.333 1.00 0.00 O ATOM 445 CB ALA A 30 9.304 -2.335 0.219 1.00 0.00 C ATOM 0 H ALA A 30 9.774 -3.923 2.390 1.00 0.00 H new ATOM 0 HA ALA A 30 8.218 -4.146 -0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.419 -2.107 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.430 -1.814 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.192 -2.008 0.759 1.00 0.00 H new ATOM 451 N TYR A 31 10.830 -5.553 0.533 1.00 0.00 N ATOM 452 CA TYR A 31 11.962 -6.345 0.066 1.00 0.00 C ATOM 453 C TYR A 31 11.711 -7.834 0.283 1.00 0.00 C ATOM 454 O TYR A 31 12.596 -8.586 0.691 1.00 0.00 O ATOM 455 CB TYR A 31 13.241 -5.921 0.789 1.00 0.00 C ATOM 456 CG TYR A 31 13.290 -4.446 1.119 1.00 0.00 C ATOM 457 CD1 TYR A 31 13.155 -3.487 0.123 1.00 0.00 C ATOM 458 CD2 TYR A 31 13.472 -4.012 2.426 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.200 -2.138 0.419 1.00 0.00 C ATOM 460 CE2 TYR A 31 13.516 -2.666 2.732 1.00 0.00 C ATOM 461 CZ TYR A 31 13.380 -1.733 1.725 1.00 0.00 C ATOM 462 OH TYR A 31 13.425 -0.391 2.026 1.00 0.00 O ATOM 0 H TYR A 31 10.493 -5.805 1.462 1.00 0.00 H new ATOM 0 HA TYR A 31 12.081 -6.167 -1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.334 -6.494 1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.100 -6.175 0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.012 -3.801 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.581 -4.740 3.217 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.095 -1.405 -0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.656 -2.346 3.754 1.00 0.00 H new ATOM 0 HH TYR A 31 13.556 -0.276 2.990 1.00 0.00 H new ATOM 472 N PRO A 32 10.474 -8.271 0.003 1.00 0.00 N ATOM 473 CA PRO A 32 10.077 -9.674 0.158 1.00 0.00 C ATOM 474 C PRO A 32 10.737 -10.581 -0.874 1.00 0.00 C ATOM 475 O PRO A 32 11.135 -10.131 -1.948 1.00 0.00 O ATOM 476 CB PRO A 32 8.561 -9.638 -0.053 1.00 0.00 C ATOM 477 CG PRO A 32 8.324 -8.432 -0.895 1.00 0.00 C ATOM 478 CD PRO A 32 9.369 -7.431 -0.487 1.00 0.00 C ATOM 0 HA PRO A 32 10.378 -10.078 1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.209 -10.542 -0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.031 -9.568 0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.407 -8.673 -1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.321 -8.036 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.679 -6.809 -1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.001 -6.759 0.288 1.00 0.00 H new ATOM 486 N LYS A 33 10.851 -11.863 -0.541 1.00 0.00 N ATOM 487 CA LYS A 33 11.462 -12.835 -1.440 1.00 0.00 C ATOM 488 C LYS A 33 10.398 -13.584 -2.236 1.00 0.00 C ATOM 489 O LYS A 33 9.205 -13.474 -1.952 1.00 0.00 O ATOM 490 CB LYS A 33 12.313 -13.829 -0.646 1.00 0.00 C ATOM 491 CG LYS A 33 13.466 -13.182 0.101 1.00 0.00 C ATOM 492 CD LYS A 33 14.621 -14.152 0.292 1.00 0.00 C ATOM 493 CE LYS A 33 14.353 -15.119 1.435 1.00 0.00 C ATOM 494 NZ LYS A 33 13.472 -16.243 1.015 1.00 0.00 N ATOM 0 H LYS A 33 10.528 -12.252 0.345 1.00 0.00 H new ATOM 0 HA LYS A 33 12.101 -12.295 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.676 -14.351 0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.710 -14.581 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.812 -12.307 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.120 -12.831 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.784 -14.712 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.536 -13.595 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.299 -15.517 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.888 -14.583 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.735 -17.104 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.481 -16.003 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.583 -16.408 -0.006 1.00 0.00 H new ATOM 508 N ASP A 34 10.837 -14.344 -3.233 1.00 0.00 N ATOM 509 CA ASP A 34 9.922 -15.113 -4.069 1.00 0.00 C ATOM 510 C ASP A 34 8.862 -15.806 -3.219 1.00 0.00 C ATOM 511 O ASP A 34 7.670 -15.736 -3.518 1.00 0.00 O ATOM 512 CB ASP A 34 10.694 -16.148 -4.889 1.00 0.00 C ATOM 513 CG ASP A 34 11.524 -15.514 -5.988 1.00 0.00 C ATOM 514 OD1 ASP A 34 10.992 -14.639 -6.702 1.00 0.00 O ATOM 515 OD2 ASP A 34 12.704 -15.895 -6.135 1.00 0.00 O ATOM 0 H ASP A 34 11.821 -14.444 -3.482 1.00 0.00 H new ATOM 0 HA ASP A 34 9.422 -14.423 -4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.347 -16.718 -4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.992 -16.855 -5.330 1.00 0.00 H new ATOM 520 N ASP A 35 9.305 -16.476 -2.161 1.00 0.00 N ATOM 521 CA ASP A 35 8.394 -17.182 -1.267 1.00 0.00 C ATOM 522 C ASP A 35 7.284 -16.256 -0.780 1.00 0.00 C ATOM 523 O ASP A 35 6.110 -16.626 -0.782 1.00 0.00 O ATOM 524 CB ASP A 35 9.159 -17.754 -0.073 1.00 0.00 C ATOM 525 CG ASP A 35 8.513 -19.008 0.482 1.00 0.00 C ATOM 526 OD1 ASP A 35 7.382 -18.913 1.002 1.00 0.00 O ATOM 527 OD2 ASP A 35 9.139 -20.086 0.397 1.00 0.00 O ATOM 0 H ASP A 35 10.289 -16.545 -1.901 1.00 0.00 H new ATOM 0 HA ASP A 35 7.940 -18.002 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.182 -17.979 -0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.217 -17.000 0.712 1.00 0.00 H new ATOM 532 N GLU A 36 7.664 -15.053 -0.362 1.00 0.00 N ATOM 533 CA GLU A 36 6.700 -14.076 0.130 1.00 0.00 C ATOM 534 C GLU A 36 5.757 -13.633 -0.986 1.00 0.00 C ATOM 535 O GLU A 36 4.535 -13.681 -0.836 1.00 0.00 O ATOM 536 CB GLU A 36 7.424 -12.861 0.712 1.00 0.00 C ATOM 537 CG GLU A 36 8.232 -13.174 1.960 1.00 0.00 C ATOM 538 CD GLU A 36 7.382 -13.200 3.215 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.299 -12.577 3.210 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.798 -13.843 4.202 1.00 0.00 O ATOM 0 H GLU A 36 8.632 -14.732 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 36 6.110 -14.549 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.088 -12.447 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.690 -12.090 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.722 -14.140 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.019 -12.429 2.075 1.00 0.00 H new ATOM 547 N PHE A 37 6.332 -13.202 -2.103 1.00 0.00 N ATOM 548 CA PHE A 37 5.544 -12.749 -3.243 1.00 0.00 C ATOM 549 C PHE A 37 4.429 -13.741 -3.562 1.00 0.00 C ATOM 550 O PHE A 37 3.336 -13.350 -3.969 1.00 0.00 O ATOM 551 CB PHE A 37 6.442 -12.563 -4.468 1.00 0.00 C ATOM 552 CG PHE A 37 7.055 -11.195 -4.560 1.00 0.00 C ATOM 553 CD1 PHE A 37 8.271 -10.924 -3.953 1.00 0.00 C ATOM 554 CD2 PHE A 37 6.415 -10.179 -5.252 1.00 0.00 C ATOM 555 CE1 PHE A 37 8.838 -9.667 -4.035 1.00 0.00 C ATOM 556 CE2 PHE A 37 6.978 -8.919 -5.337 1.00 0.00 C ATOM 557 CZ PHE A 37 8.190 -8.663 -4.727 1.00 0.00 C ATOM 0 H PHE A 37 7.341 -13.157 -2.243 1.00 0.00 H new ATOM 0 HA PHE A 37 5.092 -11.792 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.237 -13.308 -4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.858 -12.752 -5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.782 -11.705 -3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.466 -10.374 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.787 -9.470 -3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.470 -8.136 -5.880 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.631 -7.679 -4.791 1.00 0.00 H new ATOM 567 N GLU A 38 4.716 -15.025 -3.374 1.00 0.00 N ATOM 568 CA GLU A 38 3.737 -16.073 -3.642 1.00 0.00 C ATOM 569 C GLU A 38 2.489 -15.884 -2.785 1.00 0.00 C ATOM 570 O GLU A 38 1.366 -16.026 -3.268 1.00 0.00 O ATOM 571 CB GLU A 38 4.348 -17.451 -3.379 1.00 0.00 C ATOM 572 CG GLU A 38 5.100 -18.021 -4.569 1.00 0.00 C ATOM 573 CD GLU A 38 4.211 -18.845 -5.481 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.700 -19.890 -5.027 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.027 -18.444 -6.649 1.00 0.00 O ATOM 0 H GLU A 38 5.617 -15.365 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 38 3.448 -16.006 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.028 -17.381 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.555 -18.143 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.542 -17.204 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.922 -18.641 -4.211 1.00 0.00 H new ATOM 582 N GLN A 39 2.696 -15.565 -1.512 1.00 0.00 N ATOM 583 CA GLN A 39 1.588 -15.359 -0.587 1.00 0.00 C ATOM 584 C GLN A 39 0.570 -14.381 -1.166 1.00 0.00 C ATOM 585 O GLN A 39 -0.633 -14.644 -1.158 1.00 0.00 O ATOM 586 CB GLN A 39 2.106 -14.839 0.755 1.00 0.00 C ATOM 587 CG GLN A 39 3.070 -15.791 1.445 1.00 0.00 C ATOM 588 CD GLN A 39 2.377 -17.014 2.013 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.882 -17.862 1.270 1.00 0.00 O ATOM 590 NE2 GLN A 39 2.339 -17.111 3.337 1.00 0.00 N ATOM 0 H GLN A 39 3.620 -15.444 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 39 1.095 -16.319 -0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.604 -13.882 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.258 -14.652 1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.833 -16.108 0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.583 -15.263 2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.762 -16.384 3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.886 -17.912 3.777 1.00 0.00 H new ATOM 599 N LEU A 40 1.061 -13.253 -1.666 1.00 0.00 N ATOM 600 CA LEU A 40 0.194 -12.234 -2.250 1.00 0.00 C ATOM 601 C LEU A 40 -0.343 -12.686 -3.604 1.00 0.00 C ATOM 602 O LEU A 40 -1.512 -12.472 -3.922 1.00 0.00 O ATOM 603 CB LEU A 40 0.955 -10.917 -2.404 1.00 0.00 C ATOM 604 CG LEU A 40 1.458 -10.277 -1.109 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.734 -9.489 -1.364 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.387 -9.379 -0.506 1.00 0.00 C ATOM 0 H LEU A 40 2.054 -13.020 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.651 -12.082 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.811 -11.089 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.306 -10.203 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 40 1.681 -11.071 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.077 -9.041 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.503 -10.158 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.537 -8.703 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.763 -8.932 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.132 -8.591 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.502 -9.970 -0.286 1.00 0.00 H new ATOM 618 N SER A 41 0.520 -13.315 -4.396 1.00 0.00 N ATOM 619 CA SER A 41 0.133 -13.796 -5.717 1.00 0.00 C ATOM 620 C SER A 41 -1.013 -14.799 -5.616 1.00 0.00 C ATOM 621 O SER A 41 -1.839 -14.906 -6.522 1.00 0.00 O ATOM 622 CB SER A 41 1.330 -14.442 -6.419 1.00 0.00 C ATOM 623 OG SER A 41 1.397 -15.829 -6.138 1.00 0.00 O ATOM 0 H SER A 41 1.491 -13.503 -4.146 1.00 0.00 H new ATOM 0 HA SER A 41 -0.205 -12.941 -6.303 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.251 -14.289 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.251 -13.957 -6.095 1.00 0.00 H new ATOM 0 HG SER A 41 1.359 -15.969 -5.169 1.00 0.00 H new ATOM 629 N ASN A 42 -1.055 -15.530 -4.507 1.00 0.00 N ATOM 630 CA ASN A 42 -2.099 -16.524 -4.287 1.00 0.00 C ATOM 631 C ASN A 42 -3.371 -15.869 -3.757 1.00 0.00 C ATOM 632 O ASN A 42 -4.482 -16.300 -4.071 1.00 0.00 O ATOM 633 CB ASN A 42 -1.615 -17.593 -3.304 1.00 0.00 C ATOM 634 CG ASN A 42 -0.821 -18.689 -3.988 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.387 -19.564 -4.644 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.498 -18.646 -3.836 1.00 0.00 N ATOM 0 H ASN A 42 -0.379 -15.453 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.325 -16.995 -5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.998 -17.125 -2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.474 -18.032 -2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.085 -19.357 -4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.924 -17.902 -3.283 1.00 0.00 H new ATOM 643 N LEU A 43 -3.202 -14.825 -2.953 1.00 0.00 N ATOM 644 CA LEU A 43 -4.336 -14.109 -2.380 1.00 0.00 C ATOM 645 C LEU A 43 -5.068 -13.303 -3.448 1.00 0.00 C ATOM 646 O LEU A 43 -6.261 -13.501 -3.682 1.00 0.00 O ATOM 647 CB LEU A 43 -3.865 -13.182 -1.258 1.00 0.00 C ATOM 648 CG LEU A 43 -4.821 -12.052 -0.875 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.142 -12.617 -0.376 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.191 -11.154 0.179 1.00 0.00 C ATOM 0 H LEU A 43 -2.290 -14.456 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.028 -14.844 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.674 -13.786 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.913 -12.741 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.018 -11.452 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.810 -11.798 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.601 -13.217 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.963 -13.241 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.886 -10.356 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.964 -11.741 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.271 -10.721 -0.215 1.00 0.00 H new ATOM 662 N LEU A 44 -4.345 -12.395 -4.095 1.00 0.00 N ATOM 663 CA LEU A 44 -4.925 -11.560 -5.141 1.00 0.00 C ATOM 664 C LEU A 44 -5.072 -12.342 -6.443 1.00 0.00 C ATOM 665 O LEU A 44 -5.702 -11.875 -7.391 1.00 0.00 O ATOM 666 CB LEU A 44 -4.057 -10.322 -5.372 1.00 0.00 C ATOM 667 CG LEU A 44 -3.716 -9.500 -4.129 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.595 -8.517 -4.429 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.948 -8.766 -3.620 1.00 0.00 C ATOM 0 H LEU A 44 -3.357 -12.218 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.916 -11.246 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.125 -10.639 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.567 -9.673 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.375 -10.182 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.366 -7.941 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.707 -9.064 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.907 -7.841 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.686 -8.186 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.319 -8.096 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.722 -9.489 -3.364 1.00 0.00 H new ATOM 681 N ASN A 45 -4.487 -13.535 -6.480 1.00 0.00 N ATOM 682 CA ASN A 45 -4.555 -14.382 -7.665 1.00 0.00 C ATOM 683 C ASN A 45 -3.883 -13.706 -8.857 1.00 0.00 C ATOM 684 O ASN A 45 -4.272 -13.920 -10.006 1.00 0.00 O ATOM 685 CB ASN A 45 -6.011 -14.707 -8.003 1.00 0.00 C ATOM 686 CG ASN A 45 -6.132 -15.800 -9.048 1.00 0.00 C ATOM 687 OD1 ASN A 45 -5.340 -16.742 -9.072 1.00 0.00 O ATOM 688 ND2 ASN A 45 -7.128 -15.678 -9.918 1.00 0.00 N ATOM 0 H ASN A 45 -3.961 -13.937 -5.704 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.024 -15.309 -7.449 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.531 -15.016 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.507 -13.806 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.260 -16.382 -10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.761 -14.880 -9.860 1.00 0.00 H new ATOM 695 N LEU A 46 -2.874 -12.890 -8.575 1.00 0.00 N ATOM 696 CA LEU A 46 -2.147 -12.182 -9.623 1.00 0.00 C ATOM 697 C LEU A 46 -0.735 -12.738 -9.777 1.00 0.00 C ATOM 698 O LEU A 46 -0.148 -13.277 -8.838 1.00 0.00 O ATOM 699 CB LEU A 46 -2.087 -10.686 -9.309 1.00 0.00 C ATOM 700 CG LEU A 46 -3.433 -9.967 -9.209 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.253 -8.576 -8.621 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.098 -9.888 -10.575 1.00 0.00 C ATOM 0 H LEU A 46 -2.540 -12.702 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.680 -12.328 -10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.556 -10.554 -8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.493 -10.197 -10.081 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.080 -10.539 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.221 -8.080 -8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.820 -8.656 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.588 -7.994 -9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.055 -9.373 -10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.454 -9.339 -11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.263 -10.895 -10.958 1.00 0.00 H new ATOM 714 N PRO A 47 -0.174 -12.602 -10.987 1.00 0.00 N ATOM 715 CA PRO A 47 1.178 -13.082 -11.292 1.00 0.00 C ATOM 716 C PRO A 47 2.256 -12.261 -10.593 1.00 0.00 C ATOM 717 O PRO A 47 2.250 -11.031 -10.650 1.00 0.00 O ATOM 718 CB PRO A 47 1.279 -12.915 -12.810 1.00 0.00 C ATOM 719 CG PRO A 47 0.312 -11.831 -13.138 1.00 0.00 C ATOM 720 CD PRO A 47 -0.815 -11.970 -12.152 1.00 0.00 C ATOM 0 HA PRO A 47 1.334 -14.105 -10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.291 -12.647 -13.112 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.027 -13.840 -13.328 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.782 -10.851 -13.058 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.051 -11.928 -14.161 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.247 -11.002 -11.897 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.623 -12.585 -12.549 1.00 0.00 H new ATOM 728 N THR A 48 3.181 -12.949 -9.931 1.00 0.00 N ATOM 729 CA THR A 48 4.265 -12.284 -9.220 1.00 0.00 C ATOM 730 C THR A 48 4.881 -11.177 -10.068 1.00 0.00 C ATOM 731 O THR A 48 5.180 -10.092 -9.567 1.00 0.00 O ATOM 732 CB THR A 48 5.368 -13.281 -8.817 1.00 0.00 C ATOM 733 OG1 THR A 48 5.538 -14.264 -9.844 1.00 0.00 O ATOM 734 CG2 THR A 48 5.025 -13.966 -7.503 1.00 0.00 C ATOM 0 H THR A 48 3.201 -13.967 -9.873 1.00 0.00 H new ATOM 0 HA THR A 48 3.832 -11.849 -8.319 1.00 0.00 H new ATOM 0 HB THR A 48 6.298 -12.727 -8.687 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.242 -14.893 -9.581 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.818 -14.665 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.925 -13.217 -6.717 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.085 -14.507 -7.609 1.00 0.00 H new ATOM 742 N ARG A 49 5.069 -11.457 -11.353 1.00 0.00 N ATOM 743 CA ARG A 49 5.650 -10.484 -12.270 1.00 0.00 C ATOM 744 C ARG A 49 4.924 -9.145 -12.174 1.00 0.00 C ATOM 745 O ARG A 49 5.536 -8.085 -12.302 1.00 0.00 O ATOM 746 CB ARG A 49 5.590 -11.007 -13.707 1.00 0.00 C ATOM 747 CG ARG A 49 4.261 -10.744 -14.396 1.00 0.00 C ATOM 748 CD ARG A 49 4.266 -9.408 -15.123 1.00 0.00 C ATOM 749 NE ARG A 49 4.949 -9.489 -16.411 1.00 0.00 N ATOM 750 CZ ARG A 49 4.712 -8.660 -17.422 1.00 0.00 C ATOM 751 NH1 ARG A 49 3.814 -7.693 -17.294 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.375 -8.797 -18.564 1.00 0.00 N ATOM 0 H ARG A 49 4.827 -12.350 -11.783 1.00 0.00 H new ATOM 0 HA ARG A 49 6.692 -10.334 -11.988 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.388 -10.544 -14.287 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.781 -12.080 -13.702 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.053 -11.545 -15.105 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.459 -10.755 -13.658 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.240 -9.075 -15.277 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.754 -8.658 -14.500 1.00 0.00 H new ATOM 0 HE ARG A 49 5.646 -10.222 -16.542 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.303 -7.584 -16.418 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.634 -7.058 -18.072 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.067 -9.539 -18.666 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.192 -8.160 -19.339 1.00 0.00 H new ATOM 766 N VAL A 50 3.616 -9.202 -11.948 1.00 0.00 N ATOM 767 CA VAL A 50 2.806 -7.995 -11.835 1.00 0.00 C ATOM 768 C VAL A 50 2.999 -7.330 -10.477 1.00 0.00 C ATOM 769 O VAL A 50 3.024 -6.103 -10.373 1.00 0.00 O ATOM 770 CB VAL A 50 1.310 -8.301 -12.036 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.455 -7.174 -11.478 1.00 0.00 C ATOM 772 CG2 VAL A 50 1.008 -8.532 -13.509 1.00 0.00 C ATOM 0 H VAL A 50 3.094 -10.072 -11.839 1.00 0.00 H new ATOM 0 HA VAL A 50 3.139 -7.316 -12.620 1.00 0.00 H new ATOM 0 HB VAL A 50 1.066 -9.213 -11.491 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.599 -7.408 -11.629 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.652 -7.061 -10.412 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.698 -6.244 -11.992 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.053 -8.747 -13.633 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.266 -7.639 -14.078 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.594 -9.376 -13.873 1.00 0.00 H new ATOM 782 N ILE A 51 3.136 -8.147 -9.438 1.00 0.00 N ATOM 783 CA ILE A 51 3.329 -7.638 -8.086 1.00 0.00 C ATOM 784 C ILE A 51 4.733 -7.070 -7.907 1.00 0.00 C ATOM 785 O ILE A 51 4.947 -6.153 -7.114 1.00 0.00 O ATOM 786 CB ILE A 51 3.094 -8.736 -7.032 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.807 -9.503 -7.341 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.033 -8.128 -5.638 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.603 -10.720 -6.466 1.00 0.00 C ATOM 0 H ILE A 51 3.117 -9.164 -9.507 1.00 0.00 H new ATOM 0 HA ILE A 51 2.597 -6.844 -7.941 1.00 0.00 H new ATOM 0 HB ILE A 51 3.929 -9.436 -7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.956 -8.832 -7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.822 -9.815 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.866 -8.917 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.974 -7.622 -5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.215 -7.409 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.671 -11.214 -6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.435 -11.411 -6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.556 -10.413 -5.421 1.00 0.00 H new ATOM 801 N VAL A 52 5.687 -7.619 -8.652 1.00 0.00 N ATOM 802 CA VAL A 52 7.071 -7.165 -8.579 1.00 0.00 C ATOM 803 C VAL A 52 7.217 -5.755 -9.138 1.00 0.00 C ATOM 804 O VAL A 52 7.675 -4.845 -8.446 1.00 0.00 O ATOM 805 CB VAL A 52 8.013 -8.111 -9.348 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.398 -7.496 -9.476 1.00 0.00 C ATOM 807 CG2 VAL A 52 8.083 -9.466 -8.661 1.00 0.00 C ATOM 0 H VAL A 52 5.527 -8.379 -9.313 1.00 0.00 H new ATOM 0 HA VAL A 52 7.349 -7.165 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 52 7.613 -8.259 -10.351 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.050 -8.178 -10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.328 -6.551 -10.015 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.810 -7.317 -8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.753 -10.122 -9.217 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.459 -9.340 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.087 -9.908 -8.627 1.00 0.00 H new ATOM 817 N VAL A 53 6.823 -5.579 -10.395 1.00 0.00 N ATOM 818 CA VAL A 53 6.908 -4.278 -11.048 1.00 0.00 C ATOM 819 C VAL A 53 6.248 -3.194 -10.203 1.00 0.00 C ATOM 820 O VAL A 53 6.746 -2.072 -10.114 1.00 0.00 O ATOM 821 CB VAL A 53 6.247 -4.303 -12.439 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.343 -2.937 -13.101 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.884 -5.374 -13.311 1.00 0.00 C ATOM 0 H VAL A 53 6.442 -6.321 -10.982 1.00 0.00 H new ATOM 0 HA VAL A 53 7.968 -4.051 -11.162 1.00 0.00 H new ATOM 0 HB VAL A 53 5.192 -4.546 -12.317 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.871 -2.974 -14.083 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.836 -2.196 -12.482 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.391 -2.660 -13.213 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.405 -5.378 -14.290 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.947 -5.163 -13.428 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.757 -6.349 -12.841 1.00 0.00 H new ATOM 833 N TRP A 54 5.124 -3.538 -9.583 1.00 0.00 N ATOM 834 CA TRP A 54 4.395 -2.594 -8.744 1.00 0.00 C ATOM 835 C TRP A 54 5.194 -2.249 -7.492 1.00 0.00 C ATOM 836 O TRP A 54 5.307 -1.081 -7.119 1.00 0.00 O ATOM 837 CB TRP A 54 3.035 -3.175 -8.351 1.00 0.00 C ATOM 838 CG TRP A 54 2.181 -2.215 -7.579 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.125 -1.492 -8.056 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.311 -1.874 -6.195 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.591 -0.722 -7.051 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.300 -0.938 -5.900 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.182 -2.269 -5.176 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.140 -0.393 -4.629 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.022 -1.726 -3.915 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.006 -0.797 -3.650 1.00 0.00 C ATOM 0 H TRP A 54 4.698 -4.463 -9.646 1.00 0.00 H new ATOM 0 HA TRP A 54 4.241 -1.680 -9.318 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.503 -3.479 -9.253 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.190 -4.074 -7.754 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.763 -1.521 -9.073 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.205 -0.091 -7.147 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.966 -2.986 -5.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.359 0.324 -4.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.691 -2.022 -3.121 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.905 -0.392 -2.654 1.00 0.00 H new ATOM 857 N PHE A 55 5.749 -3.270 -6.848 1.00 0.00 N ATOM 858 CA PHE A 55 6.538 -3.073 -5.638 1.00 0.00 C ATOM 859 C PHE A 55 7.807 -2.282 -5.938 1.00 0.00 C ATOM 860 O PHE A 55 8.210 -1.417 -5.161 1.00 0.00 O ATOM 861 CB PHE A 55 6.900 -4.423 -5.015 1.00 0.00 C ATOM 862 CG PHE A 55 5.898 -4.906 -4.005 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.581 -5.132 -4.370 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.273 -5.133 -2.691 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.656 -5.577 -3.444 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.353 -5.577 -1.760 1.00 0.00 C ATOM 867 CZ PHE A 55 4.043 -5.799 -2.137 1.00 0.00 C ATOM 0 H PHE A 55 5.667 -4.243 -7.144 1.00 0.00 H new ATOM 0 HA PHE A 55 5.936 -2.503 -4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.993 -5.166 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.876 -4.343 -4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.273 -4.958 -5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.296 -4.961 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.633 -5.751 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.658 -5.750 -0.739 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.322 -6.146 -1.411 1.00 0.00 H new ATOM 877 N GLN A 56 8.432 -2.586 -7.071 1.00 0.00 N ATOM 878 CA GLN A 56 9.656 -1.904 -7.474 1.00 0.00 C ATOM 879 C GLN A 56 9.417 -0.407 -7.640 1.00 0.00 C ATOM 880 O GLN A 56 10.118 0.413 -7.049 1.00 0.00 O ATOM 881 CB GLN A 56 10.188 -2.495 -8.781 1.00 0.00 C ATOM 882 CG GLN A 56 10.937 -3.804 -8.596 1.00 0.00 C ATOM 883 CD GLN A 56 12.022 -4.008 -9.636 1.00 0.00 C ATOM 884 OE1 GLN A 56 13.167 -3.598 -9.444 1.00 0.00 O ATOM 885 NE2 GLN A 56 11.666 -4.645 -10.746 1.00 0.00 N ATOM 0 H GLN A 56 8.111 -3.299 -7.726 1.00 0.00 H new ATOM 0 HA GLN A 56 10.398 -2.050 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.353 -2.657 -9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.851 -1.771 -9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.383 -3.825 -7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.231 -4.633 -8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.705 -4.968 -10.863 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.353 -4.812 -11.481 1.00 0.00 H new ATOM 894 N ASN A 57 8.421 -0.058 -8.448 1.00 0.00 N ATOM 895 CA ASN A 57 8.089 1.341 -8.692 1.00 0.00 C ATOM 896 C ASN A 57 7.706 2.044 -7.393 1.00 0.00 C ATOM 897 O ASN A 57 8.199 3.132 -7.096 1.00 0.00 O ATOM 898 CB ASN A 57 6.942 1.447 -9.699 1.00 0.00 C ATOM 899 CG ASN A 57 7.392 1.162 -11.120 1.00 0.00 C ATOM 900 OD1 ASN A 57 8.150 1.933 -11.709 1.00 0.00 O ATOM 901 ND2 ASN A 57 6.926 0.050 -11.676 1.00 0.00 N ATOM 0 H ASN A 57 7.830 -0.725 -8.945 1.00 0.00 H new ATOM 0 HA ASN A 57 8.971 1.831 -9.103 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.154 0.747 -9.423 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.511 2.447 -9.651 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.194 -0.195 -12.629 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.300 -0.560 -11.150 1.00 0.00 H new ATOM 908 N ALA A 58 6.824 1.414 -6.624 1.00 0.00 N ATOM 909 CA ALA A 58 6.377 1.978 -5.356 1.00 0.00 C ATOM 910 C ALA A 58 7.553 2.528 -4.555 1.00 0.00 C ATOM 911 O ALA A 58 7.437 3.562 -3.897 1.00 0.00 O ATOM 912 CB ALA A 58 5.630 0.928 -4.547 1.00 0.00 C ATOM 0 H ALA A 58 6.405 0.514 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 58 5.700 2.805 -5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.302 1.362 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.762 0.585 -5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.291 0.084 -4.348 1.00 0.00 H new ATOM 918 N ARG A 59 8.682 1.830 -4.614 1.00 0.00 N ATOM 919 CA ARG A 59 9.878 2.248 -3.893 1.00 0.00 C ATOM 920 C ARG A 59 10.466 3.516 -4.504 1.00 0.00 C ATOM 921 O ARG A 59 10.860 4.436 -3.788 1.00 0.00 O ATOM 922 CB ARG A 59 10.923 1.131 -3.904 1.00 0.00 C ATOM 923 CG ARG A 59 10.606 -0.009 -2.950 1.00 0.00 C ATOM 924 CD ARG A 59 11.874 -0.669 -2.430 1.00 0.00 C ATOM 925 NE ARG A 59 12.778 0.295 -1.810 1.00 0.00 N ATOM 926 CZ ARG A 59 12.524 0.906 -0.658 1.00 0.00 C ATOM 927 NH1 ARG A 59 11.398 0.654 -0.005 1.00 0.00 N ATOM 928 NH2 ARG A 59 13.397 1.771 -0.157 1.00 0.00 N ATOM 0 H ARG A 59 8.794 0.972 -5.154 1.00 0.00 H new ATOM 0 HA ARG A 59 9.594 2.460 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.008 0.734 -4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.895 1.551 -3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.021 0.369 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.991 -0.751 -3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.611 -1.438 -1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.386 -1.169 -3.252 1.00 0.00 H new ATOM 0 HE ARG A 59 13.653 0.511 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.725 -0.010 -0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.205 1.124 0.879 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.264 1.967 -0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.201 2.239 0.728 1.00 0.00 H new ATOM 942 N GLN A 60 10.522 3.556 -5.832 1.00 0.00 N ATOM 943 CA GLN A 60 11.064 4.710 -6.539 1.00 0.00 C ATOM 944 C GLN A 60 10.306 5.981 -6.167 1.00 0.00 C ATOM 945 O GLN A 60 10.907 7.031 -5.941 1.00 0.00 O ATOM 946 CB GLN A 60 10.997 4.486 -8.051 1.00 0.00 C ATOM 947 CG GLN A 60 11.929 3.392 -8.545 1.00 0.00 C ATOM 948 CD GLN A 60 11.821 3.164 -10.040 1.00 0.00 C ATOM 949 OE1 GLN A 60 11.146 2.239 -10.491 1.00 0.00 O ATOM 950 NE2 GLN A 60 12.487 4.010 -10.817 1.00 0.00 N ATOM 0 H GLN A 60 10.199 2.803 -6.439 1.00 0.00 H new ATOM 0 HA GLN A 60 12.106 4.830 -6.243 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.974 4.232 -8.327 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.243 5.418 -8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.957 3.655 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.702 2.463 -8.022 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.034 4.763 -10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.451 3.907 -11.831 1.00 0.00 H new ATOM 959 N LYS A 61 8.983 5.878 -6.107 1.00 0.00 N ATOM 960 CA LYS A 61 8.141 7.018 -5.762 1.00 0.00 C ATOM 961 C LYS A 61 8.205 7.308 -4.266 1.00 0.00 C ATOM 962 O LYS A 61 8.315 8.462 -3.853 1.00 0.00 O ATOM 963 CB LYS A 61 6.693 6.754 -6.180 1.00 0.00 C ATOM 964 CG LYS A 61 6.531 6.463 -7.662 1.00 0.00 C ATOM 965 CD LYS A 61 5.082 6.177 -8.019 1.00 0.00 C ATOM 966 CE LYS A 61 4.972 5.407 -9.326 1.00 0.00 C ATOM 967 NZ LYS A 61 3.666 4.700 -9.445 1.00 0.00 N ATOM 0 H LYS A 61 8.470 5.016 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 61 8.514 7.890 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.307 5.910 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.085 7.620 -5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.888 7.314 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.150 5.608 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.615 5.604 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.534 7.116 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.091 6.094 -10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.784 4.683 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.630 4.187 -10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.564 4.026 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.891 5.393 -9.409 1.00 0.00 H new ATOM 981 N ALA A 62 8.136 6.254 -3.460 1.00 0.00 N ATOM 982 CA ALA A 62 8.190 6.396 -2.010 1.00 0.00 C ATOM 983 C ALA A 62 9.467 7.106 -1.575 1.00 0.00 C ATOM 984 O ALA A 62 9.443 7.963 -0.691 1.00 0.00 O ATOM 985 CB ALA A 62 8.087 5.033 -1.342 1.00 0.00 C ATOM 0 H ALA A 62 8.043 5.292 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 62 7.342 7.006 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.129 5.154 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.143 4.563 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.915 4.404 -1.669 1.00 0.00 H new ATOM 991 N ARG A 63 10.583 6.743 -2.200 1.00 0.00 N ATOM 992 CA ARG A 63 11.871 7.344 -1.875 1.00 0.00 C ATOM 993 C ARG A 63 11.831 8.856 -2.076 1.00 0.00 C ATOM 994 O ARG A 63 11.421 9.344 -3.130 1.00 0.00 O ATOM 995 CB ARG A 63 12.975 6.733 -2.740 1.00 0.00 C ATOM 996 CG ARG A 63 13.418 5.355 -2.277 1.00 0.00 C ATOM 997 CD ARG A 63 14.715 4.932 -2.949 1.00 0.00 C ATOM 998 NE ARG A 63 14.526 4.632 -4.365 1.00 0.00 N ATOM 999 CZ ARG A 63 15.519 4.595 -5.248 1.00 0.00 C ATOM 1000 NH1 ARG A 63 16.763 4.838 -4.861 1.00 0.00 N ATOM 1001 NH2 ARG A 63 15.267 4.314 -6.520 1.00 0.00 N ATOM 0 H ARG A 63 10.621 6.036 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 63 12.085 7.140 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.623 6.666 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.836 7.401 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.552 5.359 -1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.638 4.627 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.454 5.726 -2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.116 4.054 -2.443 1.00 0.00 H new ATOM 0 HE ARG A 63 13.580 4.440 -4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.960 5.054 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.523 4.809 -5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.311 4.126 -6.821 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.030 4.286 -7.197 1.00 0.00 H new ATOM 1015 N LYS A 64 12.259 9.594 -1.058 1.00 0.00 N ATOM 1016 CA LYS A 64 12.274 11.051 -1.121 1.00 0.00 C ATOM 1017 C LYS A 64 13.144 11.537 -2.275 1.00 0.00 C ATOM 1018 O LYS A 64 14.356 11.693 -2.129 1.00 0.00 O ATOM 1019 CB LYS A 64 12.787 11.634 0.198 1.00 0.00 C ATOM 1020 CG LYS A 64 11.893 11.327 1.387 1.00 0.00 C ATOM 1021 CD LYS A 64 10.543 12.012 1.261 1.00 0.00 C ATOM 1022 CE LYS A 64 9.811 12.050 2.594 1.00 0.00 C ATOM 1023 NZ LYS A 64 9.092 10.775 2.869 1.00 0.00 N ATOM 0 H LYS A 64 12.601 9.207 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 64 11.253 11.392 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.785 11.243 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.882 12.715 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.749 10.249 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.383 11.652 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.682 13.028 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.934 11.486 0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.525 12.244 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.099 12.876 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.606 10.841 3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.393 10.602 2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.774 9.990 2.895 1.00 0.00 H new ATOM 1037 N SER A 65 12.517 11.775 -3.423 1.00 0.00 N ATOM 1038 CA SER A 65 13.235 12.241 -4.604 1.00 0.00 C ATOM 1039 C SER A 65 14.197 13.369 -4.244 1.00 0.00 C ATOM 1040 O SER A 65 15.313 13.436 -4.759 1.00 0.00 O ATOM 1041 CB SER A 65 12.248 12.718 -5.671 1.00 0.00 C ATOM 1042 OG SER A 65 11.429 13.764 -5.178 1.00 0.00 O ATOM 0 H SER A 65 11.514 11.653 -3.560 1.00 0.00 H new ATOM 0 HA SER A 65 13.813 11.407 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.795 13.063 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.624 11.884 -5.992 1.00 0.00 H new ATOM 0 HG SER A 65 10.808 14.052 -5.880 1.00 0.00 H new ATOM 1048 N GLY A 66 13.756 14.255 -3.357 1.00 0.00 N ATOM 1049 CA GLY A 66 14.589 15.369 -2.943 1.00 0.00 C ATOM 1050 C GLY A 66 15.956 14.924 -2.464 1.00 0.00 C ATOM 1051 O GLY A 66 16.106 13.879 -1.831 1.00 0.00 O ATOM 0 H GLY A 66 12.836 14.221 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.707 16.060 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.088 15.916 -2.144 1.00 0.00 H new ATOM 1055 N PRO A 67 16.985 15.728 -2.771 1.00 0.00 N ATOM 1056 CA PRO A 67 18.366 15.432 -2.378 1.00 0.00 C ATOM 1057 C PRO A 67 18.583 15.564 -0.875 1.00 0.00 C ATOM 1058 O PRO A 67 17.660 15.901 -0.133 1.00 0.00 O ATOM 1059 CB PRO A 67 19.183 16.485 -3.131 1.00 0.00 C ATOM 1060 CG PRO A 67 18.236 17.614 -3.349 1.00 0.00 C ATOM 1061 CD PRO A 67 16.880 16.990 -3.523 1.00 0.00 C ATOM 0 HA PRO A 67 18.646 14.406 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.050 16.802 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.557 16.094 -4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.244 18.299 -2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.515 18.193 -4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.090 17.629 -3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.651 16.813 -4.574 1.00 0.00 H new ATOM 1069 N SER A 68 19.807 15.298 -0.432 1.00 0.00 N ATOM 1070 CA SER A 68 20.144 15.385 0.984 1.00 0.00 C ATOM 1071 C SER A 68 20.163 16.837 1.450 1.00 0.00 C ATOM 1072 O SER A 68 20.039 17.761 0.645 1.00 0.00 O ATOM 1073 CB SER A 68 21.504 14.735 1.247 1.00 0.00 C ATOM 1074 OG SER A 68 22.553 15.498 0.678 1.00 0.00 O ATOM 0 H SER A 68 20.583 15.020 -1.033 1.00 0.00 H new ATOM 0 HA SER A 68 19.379 14.851 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.662 14.638 2.321 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.516 13.728 0.831 1.00 0.00 H new ATOM 0 HG SER A 68 23.411 15.062 0.862 1.00 0.00 H new ATOM 1080 N SER A 69 20.321 17.032 2.755 1.00 0.00 N ATOM 1081 CA SER A 69 20.353 18.371 3.330 1.00 0.00 C ATOM 1082 C SER A 69 21.109 18.375 4.655 1.00 0.00 C ATOM 1083 O SER A 69 21.192 17.356 5.339 1.00 0.00 O ATOM 1084 CB SER A 69 18.930 18.893 3.541 1.00 0.00 C ATOM 1085 OG SER A 69 18.935 20.276 3.851 1.00 0.00 O ATOM 0 H SER A 69 20.429 16.279 3.434 1.00 0.00 H new ATOM 0 HA SER A 69 20.873 19.027 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.339 18.721 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.452 18.338 4.348 1.00 0.00 H new ATOM 0 HG SER A 69 18.014 20.586 3.979 1.00 0.00 H new ATOM 1091 N GLY A 70 21.660 19.532 5.011 1.00 0.00 N ATOM 1092 CA GLY A 70 22.403 19.649 6.253 1.00 0.00 C ATOM 1093 C GLY A 70 23.153 20.962 6.358 1.00 0.00 C ATOM 1094 O GLY A 70 22.599 22.025 6.079 1.00 0.00 O ATOM 0 H GLY A 70 21.605 20.390 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 70 21.716 19.558 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 70 23.110 18.823 6.329 1.00 0.00 H new TER 1098 GLY A 70