USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=17 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+ -123:sc= 0.0769 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -150:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.23! C(o=-5.2!,f=-6!) USER MOD Single : A 23 GLN : amide:sc= -3.91! C(o=-3.9!,f=-6.7!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.373 F(o=-1.1,f=-0.37) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot -57:sc= 0.652 USER MOD Single : A 42 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00184 USER MOD Single : A 56 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.038) USER MOD Single : A 57 ASN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 60 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.6!) 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 18.816 -6.506 -18.957 1.00 0.00 N ATOM 2 CA GLY A 1 18.726 -5.162 -19.498 1.00 0.00 C ATOM 3 C GLY A 1 17.441 -4.462 -19.101 1.00 0.00 C ATOM 4 O GLY A 1 16.666 -4.981 -18.298 1.00 0.00 O ATOM 0 H1 GLY A 1 19.682 -6.594 -18.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.988 -6.695 -18.357 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.843 -7.193 -19.737 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.577 -4.576 -19.151 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.791 -5.206 -20.585 1.00 0.00 H new ATOM 8 N SER A 2 17.216 -3.279 -19.663 1.00 0.00 N ATOM 9 CA SER A 2 16.019 -2.503 -19.359 1.00 0.00 C ATOM 10 C SER A 2 14.826 -3.007 -20.167 1.00 0.00 C ATOM 11 O SER A 2 14.721 -2.750 -21.366 1.00 0.00 O ATOM 12 CB SER A 2 16.258 -1.021 -19.651 1.00 0.00 C ATOM 13 OG SER A 2 16.911 -0.386 -18.566 1.00 0.00 O ATOM 0 H SER A 2 17.847 -2.837 -20.331 1.00 0.00 H new ATOM 0 HA SER A 2 15.796 -2.625 -18.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.861 -0.918 -20.553 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.306 -0.527 -19.846 1.00 0.00 H new ATOM 0 HG SER A 2 17.054 0.560 -18.778 1.00 0.00 H new ATOM 19 N SER A 3 13.929 -3.725 -19.500 1.00 0.00 N ATOM 20 CA SER A 3 12.745 -4.269 -20.155 1.00 0.00 C ATOM 21 C SER A 3 11.479 -3.884 -19.395 1.00 0.00 C ATOM 22 O SER A 3 11.532 -3.518 -18.222 1.00 0.00 O ATOM 23 CB SER A 3 12.847 -5.791 -20.259 1.00 0.00 C ATOM 24 OG SER A 3 13.854 -6.173 -21.181 1.00 0.00 O ATOM 0 H SER A 3 13.999 -3.944 -18.506 1.00 0.00 H new ATOM 0 HA SER A 3 12.689 -3.847 -21.158 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.069 -6.212 -19.278 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.888 -6.202 -20.572 1.00 0.00 H new ATOM 0 HG SER A 3 13.901 -7.151 -21.228 1.00 0.00 H new ATOM 30 N GLY A 4 10.339 -3.969 -20.075 1.00 0.00 N ATOM 31 CA GLY A 4 9.075 -3.627 -19.450 1.00 0.00 C ATOM 32 C GLY A 4 7.897 -3.805 -20.387 1.00 0.00 C ATOM 33 O GLY A 4 6.898 -4.428 -20.028 1.00 0.00 O ATOM 0 H GLY A 4 10.269 -4.269 -21.047 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.930 -4.249 -18.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.110 -2.592 -19.109 1.00 0.00 H new ATOM 37 N SER A 5 8.013 -3.255 -21.592 1.00 0.00 N ATOM 38 CA SER A 5 6.947 -3.352 -22.582 1.00 0.00 C ATOM 39 C SER A 5 7.507 -3.739 -23.947 1.00 0.00 C ATOM 40 O SER A 5 7.152 -4.777 -24.504 1.00 0.00 O ATOM 41 CB SER A 5 6.195 -2.023 -22.684 1.00 0.00 C ATOM 42 OG SER A 5 5.189 -1.929 -21.691 1.00 0.00 O ATOM 0 H SER A 5 8.834 -2.738 -21.906 1.00 0.00 H new ATOM 0 HA SER A 5 6.254 -4.129 -22.260 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.896 -1.196 -22.575 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.745 -1.931 -23.672 1.00 0.00 H new ATOM 0 HG SER A 5 4.724 -1.070 -21.776 1.00 0.00 H new ATOM 48 N SER A 6 8.385 -2.895 -24.480 1.00 0.00 N ATOM 49 CA SER A 6 8.993 -3.146 -25.782 1.00 0.00 C ATOM 50 C SER A 6 7.974 -3.736 -26.752 1.00 0.00 C ATOM 51 O SER A 6 8.279 -4.662 -27.502 1.00 0.00 O ATOM 52 CB SER A 6 10.185 -4.093 -25.638 1.00 0.00 C ATOM 53 OG SER A 6 11.168 -3.548 -24.774 1.00 0.00 O ATOM 0 H SER A 6 8.691 -2.032 -24.031 1.00 0.00 H new ATOM 0 HA SER A 6 9.341 -2.194 -26.183 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.846 -5.053 -25.249 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.623 -4.283 -26.618 1.00 0.00 H new ATOM 0 HG SER A 6 11.919 -4.173 -24.697 1.00 0.00 H new ATOM 59 N GLY A 7 6.761 -3.192 -26.731 1.00 0.00 N ATOM 60 CA GLY A 7 5.715 -3.677 -27.612 1.00 0.00 C ATOM 61 C GLY A 7 4.331 -3.516 -27.013 1.00 0.00 C ATOM 62 O GLY A 7 3.870 -2.396 -26.793 1.00 0.00 O ATOM 0 H GLY A 7 6.484 -2.424 -26.119 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.763 -3.138 -28.558 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.891 -4.729 -27.835 1.00 0.00 H new ATOM 66 N ARG A 8 3.668 -4.637 -26.751 1.00 0.00 N ATOM 67 CA ARG A 8 2.328 -4.616 -26.177 1.00 0.00 C ATOM 68 C ARG A 8 2.339 -3.971 -24.794 1.00 0.00 C ATOM 69 O ARG A 8 3.298 -4.120 -24.037 1.00 0.00 O ATOM 70 CB ARG A 8 1.766 -6.036 -26.085 1.00 0.00 C ATOM 71 CG ARG A 8 1.140 -6.528 -27.380 1.00 0.00 C ATOM 72 CD ARG A 8 -0.337 -6.172 -27.455 1.00 0.00 C ATOM 73 NE ARG A 8 -0.808 -6.084 -28.834 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.686 -4.994 -29.585 1.00 0.00 C ATOM 75 NH1 ARG A 8 -0.109 -3.907 -29.091 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.140 -4.991 -30.831 1.00 0.00 N ATOM 0 H ARG A 8 4.037 -5.572 -26.927 1.00 0.00 H new ATOM 0 HA ARG A 8 1.690 -4.022 -26.831 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.567 -6.717 -25.797 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.018 -6.071 -25.293 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.665 -6.089 -28.229 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.259 -7.609 -27.455 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.919 -6.923 -26.920 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.507 -5.220 -26.952 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.255 -6.904 -29.244 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.242 -3.906 -28.133 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.016 -3.072 -29.669 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.583 -5.826 -31.214 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.046 -4.154 -31.406 1.00 0.00 H new ATOM 90 N SER A 9 1.267 -3.255 -24.472 1.00 0.00 N ATOM 91 CA SER A 9 1.155 -2.584 -23.182 1.00 0.00 C ATOM 92 C SER A 9 0.583 -3.526 -22.127 1.00 0.00 C ATOM 93 O SER A 9 1.165 -3.705 -21.057 1.00 0.00 O ATOM 94 CB SER A 9 0.272 -1.341 -23.304 1.00 0.00 C ATOM 95 OG SER A 9 0.720 -0.499 -24.352 1.00 0.00 O ATOM 0 H SER A 9 0.463 -3.124 -25.086 1.00 0.00 H new ATOM 0 HA SER A 9 2.155 -2.281 -22.870 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.760 -1.640 -23.489 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.280 -0.791 -22.363 1.00 0.00 H new ATOM 0 HG SER A 9 0.138 0.288 -24.411 1.00 0.00 H new ATOM 101 N SER A 10 -0.561 -4.127 -22.438 1.00 0.00 N ATOM 102 CA SER A 10 -1.215 -5.049 -21.516 1.00 0.00 C ATOM 103 C SER A 10 -1.108 -4.548 -20.079 1.00 0.00 C ATOM 104 O SER A 10 -0.844 -5.322 -19.159 1.00 0.00 O ATOM 105 CB SER A 10 -0.596 -6.443 -21.630 1.00 0.00 C ATOM 106 OG SER A 10 -0.905 -7.037 -22.879 1.00 0.00 O ATOM 0 H SER A 10 -1.054 -3.992 -23.321 1.00 0.00 H new ATOM 0 HA SER A 10 -2.270 -5.105 -21.785 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.486 -6.375 -21.514 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.964 -7.075 -20.822 1.00 0.00 H new ATOM 0 HG SER A 10 -0.497 -7.927 -22.928 1.00 0.00 H new ATOM 112 N ARG A 11 -1.314 -3.248 -19.895 1.00 0.00 N ATOM 113 CA ARG A 11 -1.239 -2.642 -18.571 1.00 0.00 C ATOM 114 C ARG A 11 -2.190 -3.337 -17.601 1.00 0.00 C ATOM 115 O ARG A 11 -3.312 -3.695 -17.962 1.00 0.00 O ATOM 116 CB ARG A 11 -1.573 -1.151 -18.650 1.00 0.00 C ATOM 117 CG ARG A 11 -0.413 -0.292 -19.125 1.00 0.00 C ATOM 118 CD ARG A 11 -0.888 1.073 -19.599 1.00 0.00 C ATOM 119 NE ARG A 11 0.089 1.720 -20.471 1.00 0.00 N ATOM 120 CZ ARG A 11 -0.169 2.815 -21.177 1.00 0.00 C ATOM 121 NH1 ARG A 11 -1.365 3.382 -21.115 1.00 0.00 N ATOM 122 NH2 ARG A 11 0.773 3.346 -21.947 1.00 0.00 N ATOM 0 H ARG A 11 -1.534 -2.594 -20.646 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.220 -2.760 -18.201 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.418 -1.012 -19.325 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.891 -0.806 -17.666 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.305 -0.167 -18.314 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.108 -0.799 -19.937 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.833 0.963 -20.132 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.081 1.710 -18.736 1.00 0.00 H new ATOM 0 HE ARG A 11 1.020 1.309 -20.542 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.091 2.978 -20.524 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.560 4.223 -21.659 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.695 2.913 -21.997 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.575 4.187 -22.489 1.00 0.00 H new ATOM 136 N THR A 12 -1.734 -3.526 -16.367 1.00 0.00 N ATOM 137 CA THR A 12 -2.542 -4.179 -15.345 1.00 0.00 C ATOM 138 C THR A 12 -3.162 -3.158 -14.398 1.00 0.00 C ATOM 139 O THR A 12 -2.511 -2.193 -13.997 1.00 0.00 O ATOM 140 CB THR A 12 -1.709 -5.182 -14.525 1.00 0.00 C ATOM 141 OG1 THR A 12 -1.065 -6.115 -15.400 1.00 0.00 O ATOM 142 CG2 THR A 12 -2.585 -5.931 -13.533 1.00 0.00 C ATOM 0 H THR A 12 -0.809 -3.236 -16.051 1.00 0.00 H new ATOM 0 HA THR A 12 -3.335 -4.716 -15.866 1.00 0.00 H new ATOM 0 HB THR A 12 -0.955 -4.625 -13.970 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.953 -6.972 -14.939 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.974 -6.633 -12.966 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.050 -5.221 -12.850 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.360 -6.477 -14.071 1.00 0.00 H new ATOM 150 N ARG A 13 -4.425 -3.376 -14.044 1.00 0.00 N ATOM 151 CA ARG A 13 -5.133 -2.473 -13.145 1.00 0.00 C ATOM 152 C ARG A 13 -5.585 -3.206 -11.885 1.00 0.00 C ATOM 153 O ARG A 13 -6.154 -4.295 -11.957 1.00 0.00 O ATOM 154 CB ARG A 13 -6.342 -1.859 -13.852 1.00 0.00 C ATOM 155 CG ARG A 13 -5.973 -0.967 -15.026 1.00 0.00 C ATOM 156 CD ARG A 13 -7.171 -0.705 -15.925 1.00 0.00 C ATOM 157 NE ARG A 13 -8.052 0.324 -15.378 1.00 0.00 N ATOM 158 CZ ARG A 13 -9.328 0.458 -15.722 1.00 0.00 C ATOM 159 NH1 ARG A 13 -9.869 -0.367 -16.607 1.00 0.00 N ATOM 160 NH2 ARG A 13 -10.065 1.419 -15.180 1.00 0.00 N ATOM 0 H ARG A 13 -4.978 -4.170 -14.366 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.447 -1.677 -12.856 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.991 -2.660 -14.205 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.917 -1.277 -13.131 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.581 -0.020 -14.655 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.178 -1.437 -15.605 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.824 -0.398 -16.911 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.733 -1.629 -16.059 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.666 0.975 -14.694 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.305 -1.107 -17.026 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.849 -0.262 -16.869 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.652 2.056 -14.499 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.045 1.521 -15.445 1.00 0.00 H new ATOM 174 N PHE A 14 -5.326 -2.601 -10.730 1.00 0.00 N ATOM 175 CA PHE A 14 -5.705 -3.196 -9.454 1.00 0.00 C ATOM 176 C PHE A 14 -6.850 -2.420 -8.810 1.00 0.00 C ATOM 177 O PHE A 14 -7.030 -1.228 -9.066 1.00 0.00 O ATOM 178 CB PHE A 14 -4.503 -3.231 -8.507 1.00 0.00 C ATOM 179 CG PHE A 14 -3.211 -3.578 -9.191 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.513 -2.620 -9.908 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.696 -4.862 -9.117 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.324 -2.935 -10.538 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.507 -5.183 -9.745 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.821 -4.219 -10.457 1.00 0.00 C ATOM 0 H PHE A 14 -4.855 -1.699 -10.652 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.041 -4.215 -9.643 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.401 -2.258 -8.027 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.694 -3.958 -7.717 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.903 -1.615 -9.975 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.229 -5.620 -8.563 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.789 -2.179 -11.093 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.115 -6.187 -9.679 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.107 -4.468 -10.950 1.00 0.00 H new ATOM 194 N THR A 15 -7.625 -3.104 -7.974 1.00 0.00 N ATOM 195 CA THR A 15 -8.754 -2.481 -7.295 1.00 0.00 C ATOM 196 C THR A 15 -8.460 -2.278 -5.813 1.00 0.00 C ATOM 197 O THR A 15 -7.603 -2.953 -5.242 1.00 0.00 O ATOM 198 CB THR A 15 -10.033 -3.326 -7.442 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.181 -2.541 -7.101 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.973 -4.559 -6.553 1.00 0.00 C ATOM 0 H THR A 15 -7.491 -4.090 -7.751 1.00 0.00 H new ATOM 0 HA THR A 15 -8.912 -1.511 -7.767 1.00 0.00 H new ATOM 0 HB THR A 15 -10.110 -3.650 -8.480 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.990 -3.085 -7.199 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.887 -5.140 -6.674 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.115 -5.170 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.873 -4.252 -5.512 1.00 0.00 H new ATOM 208 N ASP A 16 -9.177 -1.346 -5.195 1.00 0.00 N ATOM 209 CA ASP A 16 -8.995 -1.056 -3.778 1.00 0.00 C ATOM 210 C ASP A 16 -8.630 -2.321 -3.006 1.00 0.00 C ATOM 211 O ASP A 16 -7.702 -2.320 -2.197 1.00 0.00 O ATOM 212 CB ASP A 16 -10.266 -0.437 -3.194 1.00 0.00 C ATOM 213 CG ASP A 16 -10.566 0.929 -3.780 1.00 0.00 C ATOM 214 OD1 ASP A 16 -9.835 1.888 -3.455 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.531 1.039 -4.565 1.00 0.00 O ATOM 0 H ASP A 16 -9.890 -0.778 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.176 -0.344 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.109 -1.102 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.161 -0.350 -2.113 1.00 0.00 H new ATOM 220 N TYR A 17 -9.367 -3.396 -3.262 1.00 0.00 N ATOM 221 CA TYR A 17 -9.123 -4.667 -2.589 1.00 0.00 C ATOM 222 C TYR A 17 -7.681 -5.121 -2.788 1.00 0.00 C ATOM 223 O TYR A 17 -6.991 -5.468 -1.830 1.00 0.00 O ATOM 224 CB TYR A 17 -10.083 -5.737 -3.112 1.00 0.00 C ATOM 225 CG TYR A 17 -9.658 -7.148 -2.775 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.197 -7.471 -1.505 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.717 -8.158 -3.727 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.807 -8.759 -1.192 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.330 -9.449 -3.423 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.876 -9.745 -2.155 1.00 0.00 C ATOM 231 OH TYR A 17 -8.489 -11.029 -1.849 1.00 0.00 O ATOM 0 H TYR A 17 -10.138 -3.413 -3.930 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.295 -4.523 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.075 -5.557 -2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.167 -5.640 -4.194 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.142 -6.702 -0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.071 -7.930 -4.721 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.450 -8.993 -0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.383 -10.223 -4.175 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.600 -11.601 -2.637 1.00 0.00 H new ATOM 241 N GLN A 18 -7.232 -5.114 -4.039 1.00 0.00 N ATOM 242 CA GLN A 18 -5.872 -5.525 -4.365 1.00 0.00 C ATOM 243 C GLN A 18 -4.861 -4.488 -3.887 1.00 0.00 C ATOM 244 O GLN A 18 -3.900 -4.818 -3.191 1.00 0.00 O ATOM 245 CB GLN A 18 -5.728 -5.738 -5.873 1.00 0.00 C ATOM 246 CG GLN A 18 -6.723 -6.735 -6.445 1.00 0.00 C ATOM 247 CD GLN A 18 -6.204 -7.429 -7.688 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.670 -6.788 -8.594 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.357 -8.747 -7.739 1.00 0.00 N ATOM 0 H GLN A 18 -7.790 -4.828 -4.843 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.671 -6.465 -3.852 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.853 -4.781 -6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.717 -6.083 -6.088 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.959 -7.483 -5.688 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.653 -6.219 -6.683 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.805 -9.239 -6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.026 -9.268 -8.551 1.00 0.00 H new ATOM 258 N LEU A 19 -5.083 -3.235 -4.265 1.00 0.00 N ATOM 259 CA LEU A 19 -4.190 -2.148 -3.875 1.00 0.00 C ATOM 260 C LEU A 19 -4.018 -2.103 -2.360 1.00 0.00 C ATOM 261 O LEU A 19 -2.969 -1.699 -1.857 1.00 0.00 O ATOM 262 CB LEU A 19 -4.734 -0.810 -4.378 1.00 0.00 C ATOM 263 CG LEU A 19 -4.575 -0.541 -5.875 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.204 0.792 -6.248 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.105 -0.568 -6.269 1.00 0.00 C ATOM 0 H LEU A 19 -5.873 -2.945 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.215 -2.330 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.794 -0.755 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.237 -0.009 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.092 -1.329 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.081 0.966 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.266 0.774 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.717 1.593 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.011 -0.375 -7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.565 0.198 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.685 -1.547 -6.039 1.00 0.00 H new ATOM 277 N ARG A 20 -5.053 -2.521 -1.639 1.00 0.00 N ATOM 278 CA ARG A 20 -5.015 -2.529 -0.182 1.00 0.00 C ATOM 279 C ARG A 20 -4.002 -3.549 0.330 1.00 0.00 C ATOM 280 O ARG A 20 -3.220 -3.262 1.238 1.00 0.00 O ATOM 281 CB ARG A 20 -6.401 -2.843 0.384 1.00 0.00 C ATOM 282 CG ARG A 20 -6.494 -2.682 1.892 1.00 0.00 C ATOM 283 CD ARG A 20 -6.236 -1.245 2.316 1.00 0.00 C ATOM 284 NE ARG A 20 -6.422 -1.055 3.752 1.00 0.00 N ATOM 285 CZ ARG A 20 -7.609 -0.872 4.321 1.00 0.00 C ATOM 286 NH1 ARG A 20 -8.708 -0.853 3.579 1.00 0.00 N ATOM 287 NH2 ARG A 20 -7.697 -0.707 5.635 1.00 0.00 N ATOM 0 H ARG A 20 -5.928 -2.858 -2.040 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.709 -1.538 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.134 -2.189 -0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.669 -3.866 0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.483 -2.991 2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.771 -3.340 2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.219 -0.963 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.908 -0.581 1.773 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.596 -1.063 4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.644 -0.979 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.618 -0.712 4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.853 -0.721 6.208 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.608 -0.567 6.071 1.00 0.00 H new ATOM 301 N VAL A 21 -4.021 -4.741 -0.257 1.00 0.00 N ATOM 302 CA VAL A 21 -3.104 -5.803 0.139 1.00 0.00 C ATOM 303 C VAL A 21 -1.688 -5.516 -0.347 1.00 0.00 C ATOM 304 O VAL A 21 -0.717 -5.711 0.386 1.00 0.00 O ATOM 305 CB VAL A 21 -3.557 -7.169 -0.411 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.609 -8.268 0.043 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.983 -7.471 0.023 1.00 0.00 C ATOM 0 H VAL A 21 -4.662 -4.996 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.111 -5.838 1.228 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.534 -7.129 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.945 -9.226 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.604 -8.056 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.598 -8.312 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.287 -8.439 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.035 -7.493 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.650 -6.697 -0.357 1.00 0.00 H new ATOM 317 N LEU A 22 -1.577 -5.053 -1.587 1.00 0.00 N ATOM 318 CA LEU A 22 -0.278 -4.738 -2.172 1.00 0.00 C ATOM 319 C LEU A 22 0.393 -3.590 -1.424 1.00 0.00 C ATOM 320 O LEU A 22 1.577 -3.658 -1.098 1.00 0.00 O ATOM 321 CB LEU A 22 -0.437 -4.374 -3.650 1.00 0.00 C ATOM 322 CG LEU A 22 -0.890 -5.505 -4.574 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.316 -4.952 -5.925 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.220 -6.533 -4.742 1.00 0.00 C ATOM 0 H LEU A 22 -2.370 -4.887 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 22 0.355 -5.622 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.156 -3.558 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.517 -3.994 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.749 -5.998 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.635 -5.771 -6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.143 -4.255 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.476 -4.433 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.120 -7.331 -5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.098 -6.053 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.478 -6.952 -3.769 1.00 0.00 H new ATOM 336 N GLN A 23 -0.374 -2.539 -1.153 1.00 0.00 N ATOM 337 CA GLN A 23 0.146 -1.377 -0.442 1.00 0.00 C ATOM 338 C GLN A 23 0.378 -1.700 1.031 1.00 0.00 C ATOM 339 O GLN A 23 1.325 -1.206 1.643 1.00 0.00 O ATOM 340 CB GLN A 23 -0.820 -0.198 -0.572 1.00 0.00 C ATOM 341 CG GLN A 23 -0.155 1.156 -0.390 1.00 0.00 C ATOM 342 CD GLN A 23 0.733 1.210 0.838 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.288 0.935 1.952 1.00 0.00 O ATOM 344 NE2 GLN A 23 1.997 1.566 0.639 1.00 0.00 N ATOM 0 H GLN A 23 -1.357 -2.468 -1.415 1.00 0.00 H new ATOM 0 HA GLN A 23 1.101 -1.105 -0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.292 -0.233 -1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.614 -0.306 0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.440 1.386 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.923 1.926 -0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.323 1.785 -0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.642 1.620 1.427 1.00 0.00 H new ATOM 353 N ASP A 24 -0.493 -2.530 1.594 1.00 0.00 N ATOM 354 CA ASP A 24 -0.383 -2.919 2.995 1.00 0.00 C ATOM 355 C ASP A 24 0.898 -3.710 3.240 1.00 0.00 C ATOM 356 O ASP A 24 1.570 -3.525 4.255 1.00 0.00 O ATOM 357 CB ASP A 24 -1.597 -3.750 3.412 1.00 0.00 C ATOM 358 CG ASP A 24 -1.505 -4.229 4.848 1.00 0.00 C ATOM 359 OD1 ASP A 24 -1.559 -3.379 5.762 1.00 0.00 O ATOM 360 OD2 ASP A 24 -1.381 -5.453 5.058 1.00 0.00 O ATOM 0 H ASP A 24 -1.283 -2.947 1.102 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.349 -2.011 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.501 -3.154 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.689 -4.611 2.750 1.00 0.00 H new ATOM 365 N PHE A 25 1.231 -4.593 2.304 1.00 0.00 N ATOM 366 CA PHE A 25 2.431 -5.413 2.419 1.00 0.00 C ATOM 367 C PHE A 25 3.685 -4.584 2.157 1.00 0.00 C ATOM 368 O PHE A 25 4.761 -4.883 2.675 1.00 0.00 O ATOM 369 CB PHE A 25 2.368 -6.587 1.439 1.00 0.00 C ATOM 370 CG PHE A 25 3.394 -7.650 1.710 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.740 -7.403 1.492 1.00 0.00 C ATOM 372 CD2 PHE A 25 3.013 -8.895 2.181 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.687 -8.379 1.741 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.956 -9.875 2.432 1.00 0.00 C ATOM 375 CZ PHE A 25 5.294 -9.616 2.210 1.00 0.00 C ATOM 0 H PHE A 25 0.687 -4.759 1.458 1.00 0.00 H new ATOM 0 HA PHE A 25 2.479 -5.800 3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.374 -7.033 1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.505 -6.211 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.053 -6.437 1.123 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.968 -9.103 2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.733 -8.174 1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.646 -10.842 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.032 -10.380 2.403 1.00 0.00 H new ATOM 385 N PHE A 26 3.538 -3.540 1.348 1.00 0.00 N ATOM 386 CA PHE A 26 4.657 -2.667 1.014 1.00 0.00 C ATOM 387 C PHE A 26 5.026 -1.779 2.199 1.00 0.00 C ATOM 388 O PHE A 26 6.198 -1.657 2.556 1.00 0.00 O ATOM 389 CB PHE A 26 4.313 -1.802 -0.199 1.00 0.00 C ATOM 390 CG PHE A 26 5.383 -0.808 -0.550 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.513 0.372 0.166 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.260 -1.053 -1.594 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.496 1.289 -0.155 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.246 -0.140 -1.919 1.00 0.00 C ATOM 395 CZ PHE A 26 7.364 1.032 -1.198 1.00 0.00 C ATOM 0 H PHE A 26 2.654 -3.278 0.911 1.00 0.00 H new ATOM 0 HA PHE A 26 5.515 -3.294 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.134 -2.449 -1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.383 -1.268 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.838 0.577 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.172 -1.968 -2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.585 2.206 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.923 -0.343 -2.736 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.134 1.746 -1.449 1.00 0.00 H new ATOM 405 N ASP A 27 4.018 -1.160 2.803 1.00 0.00 N ATOM 406 CA ASP A 27 4.234 -0.283 3.947 1.00 0.00 C ATOM 407 C ASP A 27 5.029 -0.996 5.036 1.00 0.00 C ATOM 408 O ASP A 27 5.789 -0.371 5.774 1.00 0.00 O ATOM 409 CB ASP A 27 2.895 0.198 4.509 1.00 0.00 C ATOM 410 CG ASP A 27 3.037 1.452 5.350 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.114 2.553 4.765 1.00 0.00 O ATOM 412 OD2 ASP A 27 3.070 1.331 6.592 1.00 0.00 O ATOM 0 H ASP A 27 3.042 -1.250 2.519 1.00 0.00 H new ATOM 0 HA ASP A 27 4.808 0.579 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.207 0.392 3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.453 -0.594 5.114 1.00 0.00 H new ATOM 417 N ALA A 28 4.848 -2.310 5.130 1.00 0.00 N ATOM 418 CA ALA A 28 5.549 -3.108 6.128 1.00 0.00 C ATOM 419 C ALA A 28 6.833 -3.699 5.555 1.00 0.00 C ATOM 420 O ALA A 28 7.867 -3.723 6.221 1.00 0.00 O ATOM 421 CB ALA A 28 4.644 -4.214 6.650 1.00 0.00 C ATOM 0 H ALA A 28 4.222 -2.844 4.527 1.00 0.00 H new ATOM 0 HA ALA A 28 5.819 -2.453 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.181 -4.802 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.757 -3.774 7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.345 -4.860 5.824 1.00 0.00 H new ATOM 427 N ASN A 29 6.758 -4.175 4.317 1.00 0.00 N ATOM 428 CA ASN A 29 7.915 -4.768 3.655 1.00 0.00 C ATOM 429 C ASN A 29 7.853 -4.543 2.147 1.00 0.00 C ATOM 430 O ASN A 29 6.853 -4.859 1.503 1.00 0.00 O ATOM 431 CB ASN A 29 7.990 -6.266 3.956 1.00 0.00 C ATOM 432 CG ASN A 29 9.304 -6.880 3.513 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.229 -8.043 2.878 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.373 -6.314 3.740 1.00 0.00 N flip ATOM 0 H ASN A 29 5.909 -4.162 3.752 1.00 0.00 H new ATOM 0 HA ASN A 29 8.811 -4.282 4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.860 -6.426 5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.167 -6.776 3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.383 -5.420 4.232 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.249 -6.738 3.436 1.00 0.00 H new ATOM 441 N ALA A 30 8.929 -3.996 1.591 1.00 0.00 N ATOM 442 CA ALA A 30 8.998 -3.732 0.159 1.00 0.00 C ATOM 443 C ALA A 30 10.165 -4.477 -0.481 1.00 0.00 C ATOM 444 O ALA A 30 10.514 -4.228 -1.635 1.00 0.00 O ATOM 445 CB ALA A 30 9.121 -2.237 -0.096 1.00 0.00 C ATOM 0 H ALA A 30 9.765 -3.727 2.110 1.00 0.00 H new ATOM 0 HA ALA A 30 8.076 -4.093 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.172 -2.054 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.253 -1.724 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.027 -1.860 0.379 1.00 0.00 H new ATOM 451 N TYR A 31 10.763 -5.390 0.275 1.00 0.00 N ATOM 452 CA TYR A 31 11.893 -6.169 -0.218 1.00 0.00 C ATOM 453 C TYR A 31 11.723 -7.648 0.119 1.00 0.00 C ATOM 454 O TYR A 31 12.665 -8.332 0.518 1.00 0.00 O ATOM 455 CB TYR A 31 13.200 -5.646 0.380 1.00 0.00 C ATOM 456 CG TYR A 31 13.374 -4.151 0.239 1.00 0.00 C ATOM 457 CD1 TYR A 31 12.845 -3.277 1.180 1.00 0.00 C ATOM 458 CD2 TYR A 31 14.070 -3.612 -0.837 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.002 -1.910 1.054 1.00 0.00 C ATOM 460 CE2 TYR A 31 14.232 -2.246 -0.970 1.00 0.00 C ATOM 461 CZ TYR A 31 13.696 -1.400 -0.022 1.00 0.00 C ATOM 462 OH TYR A 31 13.855 -0.039 -0.151 1.00 0.00 O ATOM 0 H TYR A 31 10.485 -5.609 1.231 1.00 0.00 H new ATOM 0 HA TYR A 31 11.929 -6.063 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.237 -5.910 1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.038 -6.148 -0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.301 -3.673 2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.491 -4.272 -1.581 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.583 -1.245 1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.775 -1.843 -1.812 1.00 0.00 H new ATOM 0 HH TYR A 31 14.369 0.155 -0.963 1.00 0.00 H new ATOM 472 N PRO A 32 10.492 -8.154 -0.048 1.00 0.00 N ATOM 473 CA PRO A 32 10.168 -9.556 0.231 1.00 0.00 C ATOM 474 C PRO A 32 10.802 -10.508 -0.777 1.00 0.00 C ATOM 475 O PRO A 32 11.205 -10.099 -1.866 1.00 0.00 O ATOM 476 CB PRO A 32 8.642 -9.596 0.118 1.00 0.00 C ATOM 477 CG PRO A 32 8.299 -8.465 -0.788 1.00 0.00 C ATOM 478 CD PRO A 32 9.321 -7.396 -0.521 1.00 0.00 C ATOM 0 HA PRO A 32 10.546 -9.877 1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.300 -10.547 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.170 -9.479 1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.326 -8.779 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.291 -8.099 -0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.549 -6.824 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.973 -6.685 0.229 1.00 0.00 H new ATOM 486 N LYS A 33 10.887 -11.782 -0.408 1.00 0.00 N ATOM 487 CA LYS A 33 11.470 -12.795 -1.280 1.00 0.00 C ATOM 488 C LYS A 33 10.385 -13.537 -2.054 1.00 0.00 C ATOM 489 O LYS A 33 9.195 -13.377 -1.781 1.00 0.00 O ATOM 490 CB LYS A 33 12.297 -13.788 -0.461 1.00 0.00 C ATOM 491 CG LYS A 33 13.406 -13.136 0.347 1.00 0.00 C ATOM 492 CD LYS A 33 14.462 -14.147 0.761 1.00 0.00 C ATOM 493 CE LYS A 33 15.177 -13.717 2.033 1.00 0.00 C ATOM 494 NZ LYS A 33 15.957 -12.464 1.834 1.00 0.00 N ATOM 0 H LYS A 33 10.559 -12.138 0.490 1.00 0.00 H new ATOM 0 HA LYS A 33 12.121 -12.292 -1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.635 -14.328 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.735 -14.525 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.870 -12.345 -0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.983 -12.666 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.995 -15.120 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.188 -14.266 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.446 -13.567 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.846 -14.513 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.429 -12.204 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.672 -12.614 1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.315 -11.698 1.546 1.00 0.00 H new ATOM 508 N ASP A 34 10.803 -14.349 -3.019 1.00 0.00 N ATOM 509 CA ASP A 34 9.867 -15.117 -3.830 1.00 0.00 C ATOM 510 C ASP A 34 8.783 -15.747 -2.960 1.00 0.00 C ATOM 511 O ASP A 34 7.591 -15.532 -3.183 1.00 0.00 O ATOM 512 CB ASP A 34 10.608 -16.205 -4.610 1.00 0.00 C ATOM 513 CG ASP A 34 11.794 -15.658 -5.379 1.00 0.00 C ATOM 514 OD1 ASP A 34 12.816 -15.331 -4.740 1.00 0.00 O ATOM 515 OD2 ASP A 34 11.701 -15.559 -6.620 1.00 0.00 O ATOM 0 H ASP A 34 11.784 -14.492 -3.258 1.00 0.00 H new ATOM 0 HA ASP A 34 9.391 -14.435 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.951 -16.975 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.918 -16.684 -5.304 1.00 0.00 H new ATOM 520 N ASP A 35 9.205 -16.526 -1.970 1.00 0.00 N ATOM 521 CA ASP A 35 8.271 -17.187 -1.066 1.00 0.00 C ATOM 522 C ASP A 35 7.160 -16.233 -0.640 1.00 0.00 C ATOM 523 O ASP A 35 5.980 -16.578 -0.690 1.00 0.00 O ATOM 524 CB ASP A 35 9.007 -17.716 0.165 1.00 0.00 C ATOM 525 CG ASP A 35 8.349 -18.951 0.748 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.119 -19.915 -0.012 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.064 -18.954 1.963 1.00 0.00 O ATOM 0 H ASP A 35 10.188 -16.715 -1.773 1.00 0.00 H new ATOM 0 HA ASP A 35 7.821 -18.025 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.037 -17.950 -0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.045 -16.935 0.925 1.00 0.00 H new ATOM 532 N GLU A 36 7.547 -15.032 -0.219 1.00 0.00 N ATOM 533 CA GLU A 36 6.583 -14.030 0.219 1.00 0.00 C ATOM 534 C GLU A 36 5.711 -13.568 -0.946 1.00 0.00 C ATOM 535 O GLU A 36 4.484 -13.560 -0.852 1.00 0.00 O ATOM 536 CB GLU A 36 7.305 -12.830 0.835 1.00 0.00 C ATOM 537 CG GLU A 36 8.017 -13.153 2.138 1.00 0.00 C ATOM 538 CD GLU A 36 7.065 -13.255 3.314 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.602 -12.199 3.795 1.00 0.00 O ATOM 540 OE2 GLU A 36 6.782 -14.389 3.752 1.00 0.00 O ATOM 0 H GLU A 36 8.520 -14.730 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 36 5.942 -14.486 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.032 -12.447 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.582 -12.034 1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.556 -14.094 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.760 -12.382 2.343 1.00 0.00 H new ATOM 547 N PHE A 37 6.355 -13.185 -2.044 1.00 0.00 N ATOM 548 CA PHE A 37 5.639 -12.721 -3.227 1.00 0.00 C ATOM 549 C PHE A 37 4.544 -13.707 -3.622 1.00 0.00 C ATOM 550 O PHE A 37 3.517 -13.320 -4.178 1.00 0.00 O ATOM 551 CB PHE A 37 6.611 -12.526 -4.392 1.00 0.00 C ATOM 552 CG PHE A 37 7.191 -11.143 -4.464 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.511 -10.125 -5.113 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.417 -10.860 -3.882 1.00 0.00 C ATOM 555 CE1 PHE A 37 7.043 -8.851 -5.181 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.954 -9.588 -3.947 1.00 0.00 C ATOM 557 CZ PHE A 37 8.265 -8.582 -4.596 1.00 0.00 C ATOM 0 H PHE A 37 7.371 -13.187 -2.139 1.00 0.00 H new ATOM 0 HA PHE A 37 5.173 -11.765 -2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.423 -13.248 -4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.094 -12.743 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.554 -10.329 -5.571 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.959 -11.643 -3.372 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.504 -8.067 -5.691 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.911 -9.381 -3.491 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.681 -7.587 -4.646 1.00 0.00 H new ATOM 567 N GLU A 38 4.773 -14.984 -3.331 1.00 0.00 N ATOM 568 CA GLU A 38 3.807 -16.026 -3.658 1.00 0.00 C ATOM 569 C GLU A 38 2.511 -15.830 -2.877 1.00 0.00 C ATOM 570 O GLU A 38 1.418 -15.957 -3.428 1.00 0.00 O ATOM 571 CB GLU A 38 4.392 -17.408 -3.357 1.00 0.00 C ATOM 572 CG GLU A 38 5.474 -17.836 -4.335 1.00 0.00 C ATOM 573 CD GLU A 38 6.042 -19.205 -4.013 1.00 0.00 C ATOM 574 OE1 GLU A 38 6.698 -19.343 -2.959 1.00 0.00 O ATOM 575 OE2 GLU A 38 5.831 -20.138 -4.816 1.00 0.00 O ATOM 0 H GLU A 38 5.618 -15.321 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 38 3.584 -15.958 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.805 -17.407 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.589 -18.145 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.063 -17.845 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.279 -17.101 -4.325 1.00 0.00 H new ATOM 582 N GLN A 39 2.643 -15.521 -1.591 1.00 0.00 N ATOM 583 CA GLN A 39 1.482 -15.309 -0.734 1.00 0.00 C ATOM 584 C GLN A 39 0.509 -14.322 -1.370 1.00 0.00 C ATOM 585 O GLN A 39 -0.705 -14.531 -1.351 1.00 0.00 O ATOM 586 CB GLN A 39 1.922 -14.798 0.639 1.00 0.00 C ATOM 587 CG GLN A 39 2.525 -15.876 1.525 1.00 0.00 C ATOM 588 CD GLN A 39 1.486 -16.580 2.375 1.00 0.00 C ATOM 589 OE1 GLN A 39 0.984 -17.644 2.009 1.00 0.00 O ATOM 590 NE2 GLN A 39 1.156 -15.990 3.518 1.00 0.00 N ATOM 0 H GLN A 39 3.541 -15.412 -1.120 1.00 0.00 H new ATOM 0 HA GLN A 39 0.973 -16.265 -0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.652 -14.000 0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.063 -14.361 1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.037 -16.609 0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.278 -15.429 2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.596 -15.109 3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.462 -16.418 4.131 1.00 0.00 H new ATOM 599 N LEU A 40 1.049 -13.246 -1.931 1.00 0.00 N ATOM 600 CA LEU A 40 0.228 -12.225 -2.573 1.00 0.00 C ATOM 601 C LEU A 40 -0.360 -12.742 -3.881 1.00 0.00 C ATOM 602 O LEU A 40 -1.551 -12.575 -4.148 1.00 0.00 O ATOM 603 CB LEU A 40 1.058 -10.966 -2.836 1.00 0.00 C ATOM 604 CG LEU A 40 1.557 -10.221 -1.598 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.875 -9.521 -1.892 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.515 -9.221 -1.120 1.00 0.00 C ATOM 0 H LEU A 40 2.051 -13.058 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.593 -11.978 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.921 -11.244 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.459 -10.278 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 40 1.724 -10.948 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.215 -8.996 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.621 -10.259 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.734 -8.806 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.888 -8.700 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.315 -8.498 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.406 -9.747 -0.868 1.00 0.00 H new ATOM 618 N SER A 41 0.481 -13.373 -4.694 1.00 0.00 N ATOM 619 CA SER A 41 0.045 -13.914 -5.976 1.00 0.00 C ATOM 620 C SER A 41 -1.111 -14.892 -5.788 1.00 0.00 C ATOM 621 O SER A 41 -2.003 -14.985 -6.629 1.00 0.00 O ATOM 622 CB SER A 41 1.209 -14.612 -6.682 1.00 0.00 C ATOM 623 OG SER A 41 1.254 -15.989 -6.351 1.00 0.00 O ATOM 0 H SER A 41 1.469 -13.522 -4.488 1.00 0.00 H new ATOM 0 HA SER A 41 -0.300 -13.085 -6.594 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.105 -14.497 -7.761 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.148 -14.136 -6.399 1.00 0.00 H new ATOM 0 HG SER A 41 1.328 -16.090 -5.379 1.00 0.00 H new ATOM 629 N ASN A 42 -1.086 -15.621 -4.677 1.00 0.00 N ATOM 630 CA ASN A 42 -2.131 -16.594 -4.377 1.00 0.00 C ATOM 631 C ASN A 42 -3.351 -15.910 -3.767 1.00 0.00 C ATOM 632 O ASN A 42 -4.479 -16.380 -3.918 1.00 0.00 O ATOM 633 CB ASN A 42 -1.600 -17.664 -3.421 1.00 0.00 C ATOM 634 CG ASN A 42 -0.771 -18.715 -4.132 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.306 -19.687 -4.667 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.543 -18.525 -4.142 1.00 0.00 N ATOM 0 H ASN A 42 -0.354 -15.557 -3.970 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.432 -17.068 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.995 -17.189 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.438 -18.146 -2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.152 -19.199 -4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.943 -17.705 -3.686 1.00 0.00 H new ATOM 643 N LEU A 43 -3.117 -14.799 -3.078 1.00 0.00 N ATOM 644 CA LEU A 43 -4.197 -14.049 -2.445 1.00 0.00 C ATOM 645 C LEU A 43 -4.979 -13.244 -3.478 1.00 0.00 C ATOM 646 O LEU A 43 -6.188 -13.418 -3.632 1.00 0.00 O ATOM 647 CB LEU A 43 -3.635 -13.115 -1.372 1.00 0.00 C ATOM 648 CG LEU A 43 -4.567 -11.998 -0.900 1.00 0.00 C ATOM 649 CD1 LEU A 43 -5.870 -12.577 -0.372 1.00 0.00 C ATOM 650 CD2 LEU A 43 -3.886 -11.151 0.165 1.00 0.00 C ATOM 0 H LEU A 43 -2.189 -14.397 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.876 -14.762 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.353 -13.716 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.722 -12.661 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.798 -11.358 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.520 -11.767 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.365 -13.140 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.660 -13.240 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.563 -10.361 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.625 -11.779 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.981 -10.706 -0.248 1.00 0.00 H new ATOM 662 N LEU A 44 -4.280 -12.363 -4.186 1.00 0.00 N ATOM 663 CA LEU A 44 -4.908 -11.531 -5.207 1.00 0.00 C ATOM 664 C LEU A 44 -5.046 -12.293 -6.521 1.00 0.00 C ATOM 665 O LEU A 44 -5.641 -11.799 -7.477 1.00 0.00 O ATOM 666 CB LEU A 44 -4.092 -10.256 -5.427 1.00 0.00 C ATOM 667 CG LEU A 44 -3.704 -9.481 -4.167 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.568 -8.514 -4.463 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.908 -8.737 -3.608 1.00 0.00 C ATOM 0 H LEU A 44 -3.279 -12.206 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.905 -11.261 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.180 -10.520 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.662 -9.592 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.361 -10.193 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.306 -7.972 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.700 -9.070 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.883 -7.806 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.614 -8.191 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.281 -8.036 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.693 -9.451 -3.357 1.00 0.00 H new ATOM 681 N ASN A 45 -4.493 -13.501 -6.559 1.00 0.00 N ATOM 682 CA ASN A 45 -4.556 -14.333 -7.755 1.00 0.00 C ATOM 683 C ASN A 45 -3.878 -13.642 -8.934 1.00 0.00 C ATOM 684 O ASN A 45 -4.216 -13.891 -10.092 1.00 0.00 O ATOM 685 CB ASN A 45 -6.011 -14.651 -8.104 1.00 0.00 C ATOM 686 CG ASN A 45 -6.641 -15.626 -7.128 1.00 0.00 C ATOM 687 OD1 ASN A 45 -7.532 -15.263 -6.359 1.00 0.00 O ATOM 688 ND2 ASN A 45 -6.179 -16.870 -7.153 1.00 0.00 N ATOM 0 H ASN A 45 -3.996 -13.925 -5.776 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.027 -15.264 -7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.589 -13.727 -8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.058 -15.068 -9.110 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.563 -17.570 -6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.440 -17.126 -7.807 1.00 0.00 H new ATOM 695 N LEU A 46 -2.918 -12.775 -8.632 1.00 0.00 N ATOM 696 CA LEU A 46 -2.190 -12.048 -9.667 1.00 0.00 C ATOM 697 C LEU A 46 -0.787 -12.617 -9.847 1.00 0.00 C ATOM 698 O LEU A 46 -0.200 -13.190 -8.929 1.00 0.00 O ATOM 699 CB LEU A 46 -2.109 -10.562 -9.312 1.00 0.00 C ATOM 700 CG LEU A 46 -3.444 -9.825 -9.198 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.241 -8.445 -8.593 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.112 -9.719 -10.561 1.00 0.00 C ATOM 0 H LEU A 46 -2.625 -12.558 -7.679 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.731 -12.162 -10.606 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.581 -10.464 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.504 -10.061 -10.067 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.098 -10.396 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.202 -7.935 -8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.806 -8.544 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.570 -7.865 -9.227 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.061 -9.192 -10.461 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.462 -9.171 -11.243 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.292 -10.719 -10.957 1.00 0.00 H new ATOM 714 N PRO A 47 -0.233 -12.455 -11.058 1.00 0.00 N ATOM 715 CA PRO A 47 1.109 -12.943 -11.387 1.00 0.00 C ATOM 716 C PRO A 47 2.203 -12.156 -10.673 1.00 0.00 C ATOM 717 O PRO A 47 2.228 -10.926 -10.719 1.00 0.00 O ATOM 718 CB PRO A 47 1.202 -12.735 -12.901 1.00 0.00 C ATOM 719 CG PRO A 47 0.246 -11.629 -13.190 1.00 0.00 C ATOM 720 CD PRO A 47 -0.875 -11.782 -12.200 1.00 0.00 C ATOM 0 HA PRO A 47 1.254 -13.978 -11.076 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.216 -12.471 -13.203 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.934 -13.642 -13.443 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.730 -10.658 -13.085 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.125 -11.691 -14.213 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.293 -10.817 -11.914 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.693 -12.376 -12.608 1.00 0.00 H new ATOM 728 N THR A 48 3.108 -12.873 -10.014 1.00 0.00 N ATOM 729 CA THR A 48 4.204 -12.242 -9.290 1.00 0.00 C ATOM 730 C THR A 48 4.839 -11.129 -10.116 1.00 0.00 C ATOM 731 O THR A 48 5.170 -10.066 -9.592 1.00 0.00 O ATOM 732 CB THR A 48 5.289 -13.267 -8.908 1.00 0.00 C ATOM 733 OG1 THR A 48 5.409 -14.258 -9.935 1.00 0.00 O ATOM 734 CG2 THR A 48 4.957 -13.938 -7.584 1.00 0.00 C ATOM 0 H THR A 48 3.103 -13.892 -9.967 1.00 0.00 H new ATOM 0 HA THR A 48 3.780 -11.818 -8.380 1.00 0.00 H new ATOM 0 HB THR A 48 6.236 -12.739 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.102 -14.905 -9.686 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.737 -14.657 -7.335 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.895 -13.184 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.001 -14.454 -7.667 1.00 0.00 H new ATOM 742 N ARG A 49 5.007 -11.381 -11.410 1.00 0.00 N ATOM 743 CA ARG A 49 5.604 -10.400 -12.308 1.00 0.00 C ATOM 744 C ARG A 49 4.900 -9.052 -12.186 1.00 0.00 C ATOM 745 O ARG A 49 5.533 -8.000 -12.270 1.00 0.00 O ATOM 746 CB ARG A 49 5.536 -10.894 -13.755 1.00 0.00 C ATOM 747 CG ARG A 49 4.202 -10.621 -14.429 1.00 0.00 C ATOM 748 CD ARG A 49 4.197 -9.272 -15.129 1.00 0.00 C ATOM 749 NE ARG A 49 4.990 -9.288 -16.355 1.00 0.00 N ATOM 750 CZ ARG A 49 5.055 -8.267 -17.202 1.00 0.00 C ATOM 751 NH1 ARG A 49 4.377 -7.154 -16.958 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.799 -8.358 -18.297 1.00 0.00 N ATOM 0 H ARG A 49 4.738 -12.256 -11.860 1.00 0.00 H new ATOM 0 HA ARG A 49 6.648 -10.272 -12.023 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.329 -10.417 -14.331 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.730 -11.966 -13.773 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.991 -11.408 -15.153 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.405 -10.649 -13.686 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.171 -8.990 -15.365 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.589 -8.512 -14.454 1.00 0.00 H new ATOM 0 HE ARG A 49 5.523 -10.130 -16.573 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.803 -7.080 -16.118 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.429 -6.372 -17.610 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.322 -9.213 -18.489 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.848 -7.573 -18.947 1.00 0.00 H new ATOM 766 N VAL A 50 3.586 -9.092 -11.988 1.00 0.00 N ATOM 767 CA VAL A 50 2.796 -7.874 -11.853 1.00 0.00 C ATOM 768 C VAL A 50 3.008 -7.230 -10.488 1.00 0.00 C ATOM 769 O VAL A 50 3.050 -6.005 -10.369 1.00 0.00 O ATOM 770 CB VAL A 50 1.294 -8.155 -12.049 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.459 -7.034 -11.451 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.975 -8.340 -13.525 1.00 0.00 C ATOM 0 H VAL A 50 3.046 -9.955 -11.918 1.00 0.00 H new ATOM 0 HA VAL A 50 3.134 -7.189 -12.631 1.00 0.00 H new ATOM 0 HB VAL A 50 1.044 -9.079 -11.528 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.599 -7.250 -11.599 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.667 -6.954 -10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.709 -6.093 -11.941 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.090 -8.538 -13.645 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.240 -7.434 -14.071 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.547 -9.181 -13.918 1.00 0.00 H new ATOM 782 N ILE A 51 3.140 -8.062 -9.461 1.00 0.00 N ATOM 783 CA ILE A 51 3.349 -7.573 -8.104 1.00 0.00 C ATOM 784 C ILE A 51 4.760 -7.023 -7.929 1.00 0.00 C ATOM 785 O ILE A 51 4.986 -6.100 -7.146 1.00 0.00 O ATOM 786 CB ILE A 51 3.109 -8.683 -7.063 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.793 -9.407 -7.350 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.103 -8.099 -5.658 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.619 -10.683 -6.557 1.00 0.00 C ATOM 0 H ILE A 51 3.106 -9.078 -9.543 1.00 0.00 H new ATOM 0 HA ILE A 51 2.627 -6.772 -7.942 1.00 0.00 H new ATOM 0 HB ILE A 51 3.922 -9.406 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.963 -8.736 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.740 -9.640 -8.414 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.932 -8.895 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.064 -7.625 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.309 -7.357 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.664 -11.142 -6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.429 -11.373 -6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.639 -10.455 -5.491 1.00 0.00 H new ATOM 801 N VAL A 52 5.708 -7.595 -8.665 1.00 0.00 N ATOM 802 CA VAL A 52 7.098 -7.161 -8.594 1.00 0.00 C ATOM 803 C VAL A 52 7.266 -5.760 -9.172 1.00 0.00 C ATOM 804 O VAL A 52 7.830 -4.875 -8.529 1.00 0.00 O ATOM 805 CB VAL A 52 8.028 -8.131 -9.346 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.420 -7.534 -9.487 1.00 0.00 C ATOM 807 CG2 VAL A 52 8.084 -9.474 -8.635 1.00 0.00 C ATOM 0 H VAL A 52 5.538 -8.360 -9.317 1.00 0.00 H new ATOM 0 HA VAL A 52 7.373 -7.151 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 52 7.625 -8.292 -10.346 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.063 -8.233 -10.021 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.360 -6.599 -10.044 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.835 -7.342 -8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.746 -10.147 -9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.463 -9.334 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.084 -9.905 -8.592 1.00 0.00 H new ATOM 817 N VAL A 53 6.772 -5.567 -10.391 1.00 0.00 N ATOM 818 CA VAL A 53 6.866 -4.273 -11.057 1.00 0.00 C ATOM 819 C VAL A 53 6.220 -3.175 -10.219 1.00 0.00 C ATOM 820 O VAL A 53 6.714 -2.049 -10.167 1.00 0.00 O ATOM 821 CB VAL A 53 6.197 -4.306 -12.444 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.311 -2.950 -13.124 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.812 -5.398 -13.306 1.00 0.00 C ATOM 0 H VAL A 53 6.303 -6.290 -10.937 1.00 0.00 H new ATOM 0 HA VAL A 53 7.927 -4.056 -11.179 1.00 0.00 H new ATOM 0 HB VAL A 53 5.139 -4.532 -12.313 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.833 -2.992 -14.103 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.819 -2.194 -12.512 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.363 -2.691 -13.245 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.327 -5.407 -14.282 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.878 -5.206 -13.432 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.672 -6.365 -12.823 1.00 0.00 H new ATOM 833 N TRP A 54 5.115 -3.512 -9.564 1.00 0.00 N ATOM 834 CA TRP A 54 4.401 -2.554 -8.727 1.00 0.00 C ATOM 835 C TRP A 54 5.200 -2.228 -7.470 1.00 0.00 C ATOM 836 O TRP A 54 5.303 -1.068 -7.072 1.00 0.00 O ATOM 837 CB TRP A 54 3.027 -3.106 -8.344 1.00 0.00 C ATOM 838 CG TRP A 54 2.194 -2.136 -7.562 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.131 -1.412 -8.021 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.358 -1.783 -6.184 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.624 -0.630 -7.012 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.358 -0.839 -5.875 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.250 -2.173 -5.181 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.229 -0.282 -4.605 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.120 -1.618 -3.922 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.116 -0.682 -3.643 1.00 0.00 C ATOM 0 H TRP A 54 4.694 -4.441 -9.596 1.00 0.00 H new ATOM 0 HA TRP A 54 4.269 -1.636 -9.299 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.490 -3.386 -9.250 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.159 -4.015 -7.758 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.746 -1.449 -9.029 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.171 0.004 -7.096 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.027 -2.895 -5.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.456 0.440 -4.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.804 -1.911 -3.140 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.040 -0.268 -2.649 1.00 0.00 H new ATOM 857 N PHE A 55 5.764 -3.259 -6.849 1.00 0.00 N ATOM 858 CA PHE A 55 6.554 -3.081 -5.636 1.00 0.00 C ATOM 859 C PHE A 55 7.845 -2.323 -5.933 1.00 0.00 C ATOM 860 O PHE A 55 8.276 -1.480 -5.148 1.00 0.00 O ATOM 861 CB PHE A 55 6.879 -4.439 -5.010 1.00 0.00 C ATOM 862 CG PHE A 55 5.860 -4.895 -4.005 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.545 -5.113 -4.382 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.218 -5.105 -2.683 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.605 -5.533 -3.460 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.282 -5.525 -1.757 1.00 0.00 C ATOM 867 CZ PHE A 55 3.974 -5.738 -2.145 1.00 0.00 C ATOM 0 H PHE A 55 5.689 -4.226 -7.165 1.00 0.00 H new ATOM 0 HA PHE A 55 5.964 -2.495 -4.931 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.957 -5.185 -5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.854 -4.383 -4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.251 -4.953 -5.409 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.239 -4.939 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.583 -5.701 -3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.574 -5.687 -0.730 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.241 -6.064 -1.422 1.00 0.00 H new ATOM 877 N GLN A 56 8.456 -2.632 -7.073 1.00 0.00 N ATOM 878 CA GLN A 56 9.698 -1.981 -7.474 1.00 0.00 C ATOM 879 C GLN A 56 9.513 -0.471 -7.576 1.00 0.00 C ATOM 880 O GLN A 56 10.221 0.296 -6.926 1.00 0.00 O ATOM 881 CB GLN A 56 10.182 -2.540 -8.813 1.00 0.00 C ATOM 882 CG GLN A 56 10.937 -3.853 -8.687 1.00 0.00 C ATOM 883 CD GLN A 56 11.972 -4.038 -9.779 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.920 -3.259 -9.890 1.00 0.00 O ATOM 885 NE2 GLN A 56 11.797 -5.072 -10.593 1.00 0.00 N ATOM 0 H GLN A 56 8.112 -3.328 -7.734 1.00 0.00 H new ATOM 0 HA GLN A 56 10.449 -2.185 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.323 -2.686 -9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.827 -1.804 -9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.429 -3.893 -7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.228 -4.680 -8.720 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.997 -5.692 -10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.462 -5.246 -11.346 1.00 0.00 H new ATOM 894 N ASN A 57 8.556 -0.051 -8.398 1.00 0.00 N ATOM 895 CA ASN A 57 8.279 1.368 -8.587 1.00 0.00 C ATOM 896 C ASN A 57 7.915 2.032 -7.262 1.00 0.00 C ATOM 897 O ASN A 57 8.455 3.081 -6.913 1.00 0.00 O ATOM 898 CB ASN A 57 7.143 1.558 -9.594 1.00 0.00 C ATOM 899 CG ASN A 57 7.604 1.376 -11.027 1.00 0.00 C ATOM 900 OD1 ASN A 57 8.357 2.194 -11.556 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.153 0.301 -11.662 1.00 0.00 N ATOM 0 H ASN A 57 7.960 -0.673 -8.943 1.00 0.00 H new ATOM 0 HA ASN A 57 9.182 1.840 -8.975 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.347 0.845 -9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.719 2.555 -9.475 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.429 0.126 -12.628 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.530 -0.350 -11.184 1.00 0.00 H new ATOM 908 N ALA A 58 6.997 1.412 -6.528 1.00 0.00 N ATOM 909 CA ALA A 58 6.563 1.940 -5.241 1.00 0.00 C ATOM 910 C ALA A 58 7.755 2.391 -4.403 1.00 0.00 C ATOM 911 O ALA A 58 7.693 3.411 -3.716 1.00 0.00 O ATOM 912 CB ALA A 58 5.751 0.897 -4.489 1.00 0.00 C ATOM 0 H ALA A 58 6.539 0.543 -6.803 1.00 0.00 H new ATOM 0 HA ALA A 58 5.933 2.810 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.434 1.305 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.874 0.626 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.363 0.011 -4.321 1.00 0.00 H new ATOM 918 N ARG A 59 8.838 1.624 -4.463 1.00 0.00 N ATOM 919 CA ARG A 59 10.044 1.944 -3.707 1.00 0.00 C ATOM 920 C ARG A 59 10.707 3.206 -4.251 1.00 0.00 C ATOM 921 O ARG A 59 11.175 4.050 -3.487 1.00 0.00 O ATOM 922 CB ARG A 59 11.029 0.774 -3.759 1.00 0.00 C ATOM 923 CG ARG A 59 10.563 -0.449 -2.987 1.00 0.00 C ATOM 924 CD ARG A 59 11.700 -1.434 -2.765 1.00 0.00 C ATOM 925 NE ARG A 59 11.847 -2.362 -3.882 1.00 0.00 N ATOM 926 CZ ARG A 59 12.519 -2.076 -4.992 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.104 -0.894 -5.130 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.608 -2.973 -5.965 1.00 0.00 N ATOM 0 H ARG A 59 8.906 0.777 -5.027 1.00 0.00 H new ATOM 0 HA ARG A 59 9.757 2.123 -2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.194 0.495 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.989 1.101 -3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.155 -0.140 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.757 -0.939 -3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.632 -0.886 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.519 -1.996 -1.849 1.00 0.00 H new ATOM 0 HE ARG A 59 11.410 -3.280 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.039 -0.202 -4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.619 -0.677 -5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.160 -3.884 -5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.124 -2.752 -6.817 1.00 0.00 H new ATOM 942 N GLN A 60 10.743 3.327 -5.574 1.00 0.00 N ATOM 943 CA GLN A 60 11.350 4.485 -6.219 1.00 0.00 C ATOM 944 C GLN A 60 10.523 5.742 -5.969 1.00 0.00 C ATOM 945 O GLN A 60 11.069 6.821 -5.736 1.00 0.00 O ATOM 946 CB GLN A 60 11.491 4.243 -7.722 1.00 0.00 C ATOM 947 CG GLN A 60 12.349 3.036 -8.066 1.00 0.00 C ATOM 948 CD GLN A 60 12.177 2.588 -9.504 1.00 0.00 C ATOM 949 OE1 GLN A 60 11.209 1.907 -9.843 1.00 0.00 O ATOM 950 NE2 GLN A 60 13.118 2.970 -10.360 1.00 0.00 N ATOM 0 H GLN A 60 10.359 2.637 -6.220 1.00 0.00 H new ATOM 0 HA GLN A 60 12.340 4.632 -5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.500 4.109 -8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.923 5.130 -8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.397 3.277 -7.888 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.094 2.212 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.904 3.534 -10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.055 2.699 -11.341 1.00 0.00 H new ATOM 959 N LYS A 61 9.204 5.596 -6.021 1.00 0.00 N ATOM 960 CA LYS A 61 8.300 6.719 -5.800 1.00 0.00 C ATOM 961 C LYS A 61 8.383 7.209 -4.358 1.00 0.00 C ATOM 962 O LYS A 61 8.228 8.399 -4.087 1.00 0.00 O ATOM 963 CB LYS A 61 6.861 6.315 -6.130 1.00 0.00 C ATOM 964 CG LYS A 61 6.624 6.064 -7.609 1.00 0.00 C ATOM 965 CD LYS A 61 5.483 5.086 -7.833 1.00 0.00 C ATOM 966 CE LYS A 61 4.138 5.715 -7.506 1.00 0.00 C ATOM 967 NZ LYS A 61 3.057 4.694 -7.411 1.00 0.00 N ATOM 0 H LYS A 61 8.736 4.710 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 61 8.603 7.532 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.609 5.413 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.185 7.100 -5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.399 7.007 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.534 5.672 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.487 4.752 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.633 4.202 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.210 6.257 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.882 6.445 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.156 5.162 -7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.971 4.194 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.289 4.012 -6.661 1.00 0.00 H new ATOM 981 N ALA A 62 8.630 6.283 -3.436 1.00 0.00 N ATOM 982 CA ALA A 62 8.738 6.622 -2.023 1.00 0.00 C ATOM 983 C ALA A 62 9.831 7.659 -1.788 1.00 0.00 C ATOM 984 O ALA A 62 9.665 8.580 -0.989 1.00 0.00 O ATOM 985 CB ALA A 62 9.008 5.372 -1.199 1.00 0.00 C ATOM 0 H ALA A 62 8.759 5.293 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 62 7.789 7.055 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.086 5.641 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.190 4.664 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.941 4.915 -1.527 1.00 0.00 H new ATOM 991 N ARG A 63 10.949 7.502 -2.489 1.00 0.00 N ATOM 992 CA ARG A 63 12.071 8.424 -2.355 1.00 0.00 C ATOM 993 C ARG A 63 11.582 9.867 -2.281 1.00 0.00 C ATOM 994 O ARG A 63 10.957 10.372 -3.214 1.00 0.00 O ATOM 995 CB ARG A 63 13.035 8.261 -3.531 1.00 0.00 C ATOM 996 CG ARG A 63 13.693 6.892 -3.594 1.00 0.00 C ATOM 997 CD ARG A 63 14.701 6.707 -2.471 1.00 0.00 C ATOM 998 NE ARG A 63 15.886 7.541 -2.655 1.00 0.00 N ATOM 999 CZ ARG A 63 16.728 7.848 -1.674 1.00 0.00 C ATOM 1000 NH1 ARG A 63 16.518 7.390 -0.448 1.00 0.00 N ATOM 1001 NH2 ARG A 63 17.784 8.613 -1.920 1.00 0.00 N ATOM 0 H ARG A 63 11.102 6.745 -3.155 1.00 0.00 H new ATOM 0 HA ARG A 63 12.595 8.188 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.494 8.438 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.810 9.024 -3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.929 6.117 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.191 6.770 -4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.231 6.951 -1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.999 5.660 -2.421 1.00 0.00 H new ATOM 0 HE ARG A 63 16.078 7.908 -3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 63 15.708 6.800 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.166 7.627 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.950 8.966 -2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.430 8.848 -1.166 1.00 0.00 H new ATOM 1015 N LYS A 64 11.870 10.527 -1.164 1.00 0.00 N ATOM 1016 CA LYS A 64 11.462 11.913 -0.966 1.00 0.00 C ATOM 1017 C LYS A 64 12.305 12.856 -1.818 1.00 0.00 C ATOM 1018 O LYS A 64 13.472 12.580 -2.096 1.00 0.00 O ATOM 1019 CB LYS A 64 11.584 12.296 0.511 1.00 0.00 C ATOM 1020 CG LYS A 64 10.380 11.894 1.345 1.00 0.00 C ATOM 1021 CD LYS A 64 10.648 12.066 2.830 1.00 0.00 C ATOM 1022 CE LYS A 64 11.320 10.836 3.421 1.00 0.00 C ATOM 1023 NZ LYS A 64 11.493 10.952 4.896 1.00 0.00 N ATOM 0 H LYS A 64 12.385 10.124 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 64 10.421 12.006 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.476 11.828 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.725 13.374 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.519 12.498 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.124 10.855 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.281 12.939 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.709 12.255 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.724 9.952 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.293 10.693 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.954 10.094 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.083 11.781 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.562 11.063 5.347 1.00 0.00 H new ATOM 1037 N SER A 65 11.707 13.969 -2.229 1.00 0.00 N ATOM 1038 CA SER A 65 12.403 14.952 -3.052 1.00 0.00 C ATOM 1039 C SER A 65 11.776 16.334 -2.893 1.00 0.00 C ATOM 1040 O SER A 65 10.662 16.579 -3.354 1.00 0.00 O ATOM 1041 CB SER A 65 12.372 14.531 -4.522 1.00 0.00 C ATOM 1042 OG SER A 65 12.753 15.602 -5.367 1.00 0.00 O ATOM 0 H SER A 65 10.742 14.213 -2.006 1.00 0.00 H new ATOM 0 HA SER A 65 13.439 15.002 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.043 13.686 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.370 14.194 -4.786 1.00 0.00 H new ATOM 0 HG SER A 65 12.727 15.307 -6.301 1.00 0.00 H new ATOM 1048 N GLY A 66 12.502 17.235 -2.238 1.00 0.00 N ATOM 1049 CA GLY A 66 12.003 18.581 -2.029 1.00 0.00 C ATOM 1050 C GLY A 66 12.441 19.163 -0.700 1.00 0.00 C ATOM 1051 O GLY A 66 12.945 18.458 0.175 1.00 0.00 O ATOM 0 H GLY A 66 13.427 17.056 -1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.353 19.224 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.914 18.573 -2.077 1.00 0.00 H new ATOM 1055 N PRO A 67 12.252 20.481 -0.536 1.00 0.00 N ATOM 1056 CA PRO A 67 12.626 21.187 0.693 1.00 0.00 C ATOM 1057 C PRO A 67 11.734 20.812 1.872 1.00 0.00 C ATOM 1058 O PRO A 67 10.732 21.475 2.139 1.00 0.00 O ATOM 1059 CB PRO A 67 12.437 22.661 0.327 1.00 0.00 C ATOM 1060 CG PRO A 67 11.425 22.653 -0.766 1.00 0.00 C ATOM 1061 CD PRO A 67 11.658 21.383 -1.536 1.00 0.00 C ATOM 0 HA PRO A 67 13.638 20.939 1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.091 23.240 1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.374 23.110 -0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.413 22.684 -0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.538 23.526 -1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.728 20.981 -1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.328 21.543 -2.381 1.00 0.00 H new ATOM 1069 N SER A 68 12.106 19.746 2.574 1.00 0.00 N ATOM 1070 CA SER A 68 11.337 19.282 3.722 1.00 0.00 C ATOM 1071 C SER A 68 12.111 18.223 4.502 1.00 0.00 C ATOM 1072 O SER A 68 12.627 17.266 3.926 1.00 0.00 O ATOM 1073 CB SER A 68 9.992 18.713 3.266 1.00 0.00 C ATOM 1074 OG SER A 68 9.085 18.614 4.351 1.00 0.00 O ATOM 0 H SER A 68 12.935 19.188 2.368 1.00 0.00 H new ATOM 0 HA SER A 68 11.159 20.135 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.568 19.351 2.491 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.142 17.729 2.822 1.00 0.00 H new ATOM 0 HG SER A 68 8.233 18.249 4.033 1.00 0.00 H new ATOM 1080 N SER A 69 12.188 18.404 5.817 1.00 0.00 N ATOM 1081 CA SER A 69 12.902 17.468 6.677 1.00 0.00 C ATOM 1082 C SER A 69 11.925 16.580 7.442 1.00 0.00 C ATOM 1083 O SER A 69 11.950 15.357 7.315 1.00 0.00 O ATOM 1084 CB SER A 69 13.797 18.226 7.659 1.00 0.00 C ATOM 1085 OG SER A 69 14.759 19.008 6.973 1.00 0.00 O ATOM 0 H SER A 69 11.765 19.190 6.310 1.00 0.00 H new ATOM 0 HA SER A 69 13.524 16.834 6.045 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.185 18.869 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.301 17.518 8.317 1.00 0.00 H new ATOM 0 HG SER A 69 15.317 19.484 7.623 1.00 0.00 H new ATOM 1091 N GLY A 70 11.065 17.207 8.240 1.00 0.00 N ATOM 1092 CA GLY A 70 10.092 16.460 9.015 1.00 0.00 C ATOM 1093 C GLY A 70 9.608 17.225 10.230 1.00 0.00 C ATOM 1094 O GLY A 70 10.005 18.369 10.450 1.00 0.00 O ATOM 0 H GLY A 70 11.025 18.219 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.240 16.213 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.534 15.517 9.336 1.00 0.00 H new TER 1098 GLY A 70