USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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+ -124:sc= 0.0727 (180deg=0) USER MOD Single : A 6 SER OG : rot -23:sc= 0.23 USER MOD Single : A 8 GLN : amide:sc= -4.39! K(o=-4.4!,f=-0.23) USER MOD Single : A 13 SER OG : rot 16:sc= 0.226 USER MOD Single : A 14 GLN : amide:sc= -4.24! K(o=-4.2!,f=-0.5) USER MOD Single : A 18 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0761 (180deg=-0.426) USER MOD Single : A 22 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.8) USER MOD Single : A 24 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.068) USER MOD Single : A 26 ASN : amide:sc= -0.909 X(o=-0.91,f=-0.69) USER MOD Single : A 27 MET CE :methyl 157:sc= -0.329 (180deg=-1.02) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= -0.525 (180deg=-2.79!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 138:sc= -0.63 (180deg=-2.41!) USER MOD Single : A 42 SER OG : rot 180:sc= -1.93! USER MOD Single : A 45 GLN : amide:sc= -5.29 K(o=-5.3,f=-12!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.935 13.543 15.472 1.00 0.00 N ATOM 2 CA GLY A 1 -6.326 13.378 14.969 1.00 0.00 C ATOM 3 C GLY A 1 -6.801 11.941 15.047 1.00 0.00 C ATOM 4 O GLY A 1 -6.175 11.108 15.701 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.922 14.254 16.231 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.590 12.635 15.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.319 13.856 14.694 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.997 14.012 15.549 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.379 13.720 13.935 1.00 0.00 H new ATOM 10 N ARG A 2 -7.912 11.651 14.378 1.00 0.00 N ATOM 11 CA ARG A 2 -8.472 10.306 14.375 1.00 0.00 C ATOM 12 C ARG A 2 -9.119 9.988 13.031 1.00 0.00 C ATOM 13 O ARG A 2 -10.219 9.436 12.973 1.00 0.00 O ATOM 14 CB ARG A 2 -9.491 10.142 15.510 1.00 0.00 C ATOM 15 CG ARG A 2 -10.631 11.150 15.479 1.00 0.00 C ATOM 16 CD ARG A 2 -10.209 12.501 16.038 1.00 0.00 C ATOM 17 NE ARG A 2 -9.518 12.375 17.320 1.00 0.00 N ATOM 18 CZ ARG A 2 -8.905 13.384 17.930 1.00 0.00 C ATOM 19 NH1 ARG A 2 -8.900 14.593 17.383 1.00 0.00 N ATOM 20 NH2 ARG A 2 -8.294 13.188 19.091 1.00 0.00 N ATOM 0 H ARG A 2 -8.442 12.330 13.831 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.656 9.602 14.536 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.909 9.137 15.464 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.971 10.228 16.464 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.978 11.274 14.453 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.472 10.765 16.056 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.556 13.001 15.322 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.089 13.132 16.162 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.506 11.461 17.772 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.368 14.751 16.491 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.428 15.364 17.855 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.294 12.261 19.517 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.824 13.964 19.557 1.00 0.00 H new ATOM 34 N ARG A 3 -8.429 10.340 11.950 1.00 0.00 N ATOM 35 CA ARG A 3 -8.934 10.092 10.606 1.00 0.00 C ATOM 36 C ARG A 3 -7.992 9.173 9.825 1.00 0.00 C ATOM 37 O ARG A 3 -7.858 7.995 10.151 1.00 0.00 O ATOM 38 CB ARG A 3 -9.133 11.415 9.861 1.00 0.00 C ATOM 39 CG ARG A 3 -10.086 12.370 10.561 1.00 0.00 C ATOM 40 CD ARG A 3 -10.267 13.653 9.767 1.00 0.00 C ATOM 41 NE ARG A 3 -9.024 14.412 9.662 1.00 0.00 N ATOM 42 CZ ARG A 3 -8.937 15.614 9.101 1.00 0.00 C ATOM 43 NH1 ARG A 3 -10.018 16.196 8.602 1.00 0.00 N ATOM 44 NH2 ARG A 3 -7.768 16.238 9.044 1.00 0.00 N ATOM 0 H ARG A 3 -7.518 10.798 11.980 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.898 9.590 10.692 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.166 11.903 9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.511 11.206 8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.053 11.886 10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.703 12.606 11.554 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.630 13.413 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.029 14.270 10.244 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.173 13.996 10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.920 15.722 8.648 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.948 17.118 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.934 15.796 9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.703 17.160 8.613 1.00 0.00 H new ATOM 58 N ARG A 4 -7.332 9.719 8.804 1.00 0.00 N ATOM 59 CA ARG A 4 -6.412 8.948 7.981 1.00 0.00 C ATOM 60 C ARG A 4 -5.057 9.638 7.893 1.00 0.00 C ATOM 61 O ARG A 4 -4.151 9.158 7.213 1.00 0.00 O ATOM 62 CB ARG A 4 -6.988 8.749 6.577 1.00 0.00 C ATOM 63 CG ARG A 4 -8.335 8.040 6.559 1.00 0.00 C ATOM 64 CD ARG A 4 -8.289 6.728 7.328 1.00 0.00 C ATOM 65 NE ARG A 4 -7.260 5.826 6.819 1.00 0.00 N ATOM 66 CZ ARG A 4 -7.436 4.517 6.661 1.00 0.00 C ATOM 67 NH1 ARG A 4 -8.599 3.958 6.967 1.00 0.00 N ATOM 68 NH2 ARG A 4 -6.447 3.765 6.195 1.00 0.00 N ATOM 0 H ARG A 4 -7.421 10.697 8.529 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.276 7.973 8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.094 9.722 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.278 8.175 5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.095 8.690 6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.632 7.848 5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.101 6.933 8.382 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.261 6.239 7.267 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.354 6.222 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.362 4.532 7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.730 2.954 6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.551 4.191 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.583 2.761 6.074 1.00 0.00 H new ATOM 82 N ARG A 5 -4.928 10.770 8.577 1.00 0.00 N ATOM 83 CA ARG A 5 -3.673 11.512 8.588 1.00 0.00 C ATOM 84 C ARG A 5 -2.695 10.863 9.560 1.00 0.00 C ATOM 85 O ARG A 5 -1.959 11.542 10.276 1.00 0.00 O ATOM 86 CB ARG A 5 -3.916 12.976 8.966 1.00 0.00 C ATOM 87 CG ARG A 5 -4.634 13.159 10.294 1.00 0.00 C ATOM 88 CD ARG A 5 -3.725 13.786 11.340 1.00 0.00 C ATOM 89 NE ARG A 5 -3.081 15.001 10.849 1.00 0.00 N ATOM 90 CZ ARG A 5 -3.245 16.200 11.398 1.00 0.00 C ATOM 91 NH1 ARG A 5 -4.044 16.350 12.446 1.00 0.00 N ATOM 92 NH2 ARG A 5 -2.613 17.254 10.898 1.00 0.00 N ATOM 0 H ARG A 5 -5.674 11.192 9.129 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.242 11.488 7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.958 13.494 9.008 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.501 13.452 8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.512 13.788 10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.990 12.193 10.652 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.306 14.019 12.232 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.962 13.066 11.636 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.469 14.925 10.037 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.535 15.544 12.833 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.168 17.272 12.865 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.000 17.145 10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.741 18.173 11.321 1.00 0.00 H new ATOM 106 N SER A 6 -2.696 9.534 9.566 1.00 0.00 N ATOM 107 CA SER A 6 -1.825 8.763 10.445 1.00 0.00 C ATOM 108 C SER A 6 -1.363 7.483 9.769 1.00 0.00 C ATOM 109 O SER A 6 -0.460 6.805 10.260 1.00 0.00 O ATOM 110 CB SER A 6 -2.541 8.438 11.757 1.00 0.00 C ATOM 111 OG SER A 6 -1.681 7.756 12.653 1.00 0.00 O ATOM 0 H SER A 6 -3.295 8.965 8.967 1.00 0.00 H new ATOM 0 HA SER A 6 -0.947 9.370 10.664 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.896 9.359 12.219 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.419 7.825 11.553 1.00 0.00 H new ATOM 0 HG SER A 6 -0.966 7.316 12.148 1.00 0.00 H new ATOM 117 N VAL A 7 -1.987 7.157 8.646 1.00 0.00 N ATOM 118 CA VAL A 7 -1.632 5.960 7.896 1.00 0.00 C ATOM 119 C VAL A 7 -1.837 6.180 6.399 1.00 0.00 C ATOM 120 O VAL A 7 -1.533 5.311 5.581 1.00 0.00 O ATOM 121 CB VAL A 7 -2.444 4.734 8.357 1.00 0.00 C ATOM 122 CG1 VAL A 7 -2.480 4.647 9.872 1.00 0.00 C ATOM 123 CG2 VAL A 7 -3.849 4.767 7.777 1.00 0.00 C ATOM 0 H VAL A 7 -2.742 7.705 8.234 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.578 5.762 8.090 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.948 3.838 7.983 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.059 3.774 10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.464 4.558 10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.943 5.547 10.277 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.403 3.892 8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.359 5.671 8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.793 4.762 6.688 1.00 0.00 H new ATOM 133 N GLN A 8 -2.357 7.353 6.057 1.00 0.00 N ATOM 134 CA GLN A 8 -2.626 7.715 4.671 1.00 0.00 C ATOM 135 C GLN A 8 -2.107 9.104 4.386 1.00 0.00 C ATOM 136 O GLN A 8 -2.874 10.058 4.246 1.00 0.00 O ATOM 137 CB GLN A 8 -4.116 7.668 4.415 1.00 0.00 C ATOM 138 CG GLN A 8 -4.676 6.264 4.453 1.00 0.00 C ATOM 139 CD GLN A 8 -5.880 6.088 3.546 1.00 0.00 C ATOM 140 OE1 GLN A 8 -5.741 5.714 2.381 1.00 0.00 O ATOM 141 NE2 GLN A 8 -7.068 6.360 4.072 1.00 0.00 N ATOM 0 H GLN A 8 -2.603 8.078 6.731 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.121 7.006 4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.627 8.278 5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.326 8.111 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.898 5.559 4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.958 6.018 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.138 6.667 5.042 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.911 6.262 3.506 1.00 0.00 H new ATOM 150 N TRP A 9 -0.801 9.208 4.303 1.00 0.00 N ATOM 151 CA TRP A 9 -0.168 10.489 4.097 1.00 0.00 C ATOM 152 C TRP A 9 1.138 10.437 3.292 1.00 0.00 C ATOM 153 O TRP A 9 1.125 10.255 2.076 1.00 0.00 O ATOM 154 CB TRP A 9 0.054 11.106 5.467 1.00 0.00 C ATOM 155 CG TRP A 9 0.355 10.115 6.556 1.00 0.00 C ATOM 156 CD1 TRP A 9 0.033 10.282 7.850 1.00 0.00 C ATOM 157 CD2 TRP A 9 1.000 8.829 6.478 1.00 0.00 C ATOM 158 NE1 TRP A 9 0.416 9.212 8.592 1.00 0.00 N ATOM 159 CE2 TRP A 9 1.012 8.304 7.783 1.00 0.00 C ATOM 160 CE3 TRP A 9 1.560 8.063 5.459 1.00 0.00 C ATOM 161 CZ2 TRP A 9 1.556 7.069 8.089 1.00 0.00 C ATOM 162 CZ3 TRP A 9 2.089 6.838 5.771 1.00 0.00 C ATOM 163 CH2 TRP A 9 2.085 6.348 7.072 1.00 0.00 C ATOM 0 H TRP A 9 -0.156 8.421 4.375 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.829 11.099 3.481 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.878 11.817 5.402 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.835 11.673 5.745 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -0.465 11.154 8.248 1.00 0.00 H new ATOM 0 HE1 TRP A 9 0.277 9.108 9.597 1.00 0.00 H new ATOM 0 HE3 TRP A 9 1.577 8.427 4.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.559 6.694 9.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.521 6.237 4.985 1.00 0.00 H new ATOM 0 HH2 TRP A 9 2.511 5.376 7.275 1.00 0.00 H new ATOM 174 N CYS A 10 2.258 10.615 3.994 1.00 0.00 N ATOM 175 CA CYS A 10 3.586 10.635 3.381 1.00 0.00 C ATOM 176 C CYS A 10 4.049 9.254 2.938 1.00 0.00 C ATOM 177 O CYS A 10 4.242 8.994 1.751 1.00 0.00 O ATOM 178 CB CYS A 10 4.590 11.200 4.396 1.00 0.00 C ATOM 179 SG CYS A 10 6.245 10.425 4.347 1.00 0.00 S ATOM 0 H CYS A 10 2.269 10.750 5.005 1.00 0.00 H new ATOM 0 HA CYS A 10 3.529 11.260 2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.700 12.270 4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.178 11.082 5.398 1.00 0.00 H new ATOM 184 N ALA A 11 4.230 8.390 3.917 1.00 0.00 N ATOM 185 CA ALA A 11 4.716 7.037 3.703 1.00 0.00 C ATOM 186 C ALA A 11 3.672 6.115 3.064 1.00 0.00 C ATOM 187 O ALA A 11 3.320 5.088 3.637 1.00 0.00 O ATOM 188 CB ALA A 11 5.149 6.497 5.055 1.00 0.00 C ATOM 0 H ALA A 11 4.042 8.608 4.896 1.00 0.00 H new ATOM 0 HA ALA A 11 5.547 7.067 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.522 5.479 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.939 7.128 5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.298 6.495 5.736 1.00 0.00 H new ATOM 194 N VAL A 12 3.197 6.454 1.868 1.00 0.00 N ATOM 195 CA VAL A 12 2.194 5.629 1.203 1.00 0.00 C ATOM 196 C VAL A 12 2.834 4.479 0.438 1.00 0.00 C ATOM 197 O VAL A 12 3.797 4.666 -0.306 1.00 0.00 O ATOM 198 CB VAL A 12 1.341 6.428 0.214 1.00 0.00 C ATOM 199 CG1 VAL A 12 -0.132 6.090 0.381 1.00 0.00 C ATOM 200 CG2 VAL A 12 1.577 7.923 0.357 1.00 0.00 C ATOM 0 H VAL A 12 3.486 7.282 1.346 1.00 0.00 H new ATOM 0 HA VAL A 12 1.559 5.246 2.002 1.00 0.00 H new ATOM 0 HB VAL A 12 1.645 6.144 -0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.721 6.668 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.284 5.026 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.448 6.333 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.956 8.460 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.318 8.237 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.627 8.146 0.165 1.00 0.00 H new ATOM 210 N SER A 13 2.286 3.292 0.635 1.00 0.00 N ATOM 211 CA SER A 13 2.770 2.092 -0.024 1.00 0.00 C ATOM 212 C SER A 13 1.627 1.115 -0.266 1.00 0.00 C ATOM 213 O SER A 13 0.711 1.002 0.549 1.00 0.00 O ATOM 214 CB SER A 13 3.862 1.437 0.816 1.00 0.00 C ATOM 215 OG SER A 13 5.101 2.107 0.658 1.00 0.00 O ATOM 0 H SER A 13 1.493 3.134 1.257 1.00 0.00 H new ATOM 0 HA SER A 13 3.190 2.371 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.572 1.447 1.867 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.971 0.392 0.525 1.00 0.00 H new ATOM 0 HG SER A 13 4.948 2.988 0.257 1.00 0.00 H new ATOM 221 N GLN A 14 1.685 0.415 -1.388 1.00 0.00 N ATOM 222 CA GLN A 14 0.660 -0.559 -1.736 1.00 0.00 C ATOM 223 C GLN A 14 1.187 -1.992 -1.580 1.00 0.00 C ATOM 224 O GLN A 14 0.543 -2.820 -0.937 1.00 0.00 O ATOM 225 CB GLN A 14 0.142 -0.300 -3.164 1.00 0.00 C ATOM 226 CG GLN A 14 -0.002 -1.544 -4.036 1.00 0.00 C ATOM 227 CD GLN A 14 -1.214 -2.388 -3.687 1.00 0.00 C ATOM 228 OE1 GLN A 14 -1.774 -3.070 -4.545 1.00 0.00 O ATOM 229 NE2 GLN A 14 -1.630 -2.349 -2.427 1.00 0.00 N ATOM 0 H GLN A 14 2.433 0.503 -2.076 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.177 -0.445 -1.047 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.828 0.193 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.820 0.395 -3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.069 -1.240 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.896 -2.153 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.138 -1.771 -1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.441 -2.897 -2.141 1.00 0.00 H new ATOM 238 N PRO A 15 2.363 -2.309 -2.160 1.00 0.00 N ATOM 239 CA PRO A 15 2.955 -3.646 -2.077 1.00 0.00 C ATOM 240 C PRO A 15 3.732 -3.865 -0.783 1.00 0.00 C ATOM 241 O PRO A 15 3.455 -4.798 -0.029 1.00 0.00 O ATOM 242 CB PRO A 15 3.911 -3.691 -3.283 1.00 0.00 C ATOM 243 CG PRO A 15 3.755 -2.375 -3.982 1.00 0.00 C ATOM 244 CD PRO A 15 3.208 -1.423 -2.962 1.00 0.00 C ATOM 0 HA PRO A 15 2.192 -4.424 -2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.941 -3.841 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.662 -4.518 -3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.712 -2.024 -4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.080 -2.464 -4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.996 -0.960 -2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.637 -0.615 -3.420 1.00 0.00 H new ATOM 252 N GLU A 16 4.708 -2.997 -0.536 1.00 0.00 N ATOM 253 CA GLU A 16 5.542 -3.091 0.659 1.00 0.00 C ATOM 254 C GLU A 16 4.719 -2.921 1.934 1.00 0.00 C ATOM 255 O GLU A 16 5.092 -3.427 2.991 1.00 0.00 O ATOM 256 CB GLU A 16 6.649 -2.034 0.609 1.00 0.00 C ATOM 257 CG GLU A 16 7.596 -2.080 1.799 1.00 0.00 C ATOM 258 CD GLU A 16 8.727 -1.078 1.682 1.00 0.00 C ATOM 259 OE1 GLU A 16 8.553 0.070 2.143 1.00 0.00 O ATOM 260 OE2 GLU A 16 9.786 -1.439 1.130 1.00 0.00 O ATOM 0 H GLU A 16 4.942 -2.217 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 16 5.987 -4.086 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.225 -2.167 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.193 -1.045 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.035 -1.884 2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.012 -3.083 1.889 1.00 0.00 H new ATOM 267 N ALA A 17 3.599 -2.213 1.828 1.00 0.00 N ATOM 268 CA ALA A 17 2.740 -1.977 2.984 1.00 0.00 C ATOM 269 C ALA A 17 1.835 -3.170 3.258 1.00 0.00 C ATOM 270 O ALA A 17 1.911 -3.764 4.329 1.00 0.00 O ATOM 271 CB ALA A 17 1.912 -0.718 2.784 1.00 0.00 C ATOM 0 H ALA A 17 3.266 -1.795 0.959 1.00 0.00 H new ATOM 0 HA ALA A 17 3.383 -1.840 3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.277 -0.558 3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.575 0.137 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.289 -0.830 1.897 1.00 0.00 H new ATOM 277 N THR A 18 0.967 -3.523 2.308 1.00 0.00 N ATOM 278 CA THR A 18 0.090 -4.665 2.521 1.00 0.00 C ATOM 279 C THR A 18 0.891 -5.797 3.105 1.00 0.00 C ATOM 280 O THR A 18 0.486 -6.395 4.086 1.00 0.00 O ATOM 281 CB THR A 18 -0.588 -5.181 1.254 1.00 0.00 C ATOM 282 OG1 THR A 18 0.341 -5.217 0.165 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.795 -4.337 0.889 1.00 0.00 C ATOM 0 H THR A 18 0.857 -3.049 1.412 1.00 0.00 H new ATOM 0 HA THR A 18 -0.697 -4.317 3.191 1.00 0.00 H new ATOM 0 HB THR A 18 -0.935 -6.195 1.454 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.579 -4.302 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.254 -4.732 -0.017 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.518 -4.365 1.704 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.481 -3.307 0.718 1.00 0.00 H new ATOM 291 N LYS A 19 2.024 -6.100 2.476 1.00 0.00 N ATOM 292 CA LYS A 19 2.902 -7.132 2.978 1.00 0.00 C ATOM 293 C LYS A 19 3.183 -6.861 4.439 1.00 0.00 C ATOM 294 O LYS A 19 2.791 -7.620 5.307 1.00 0.00 O ATOM 295 CB LYS A 19 4.214 -7.157 2.191 1.00 0.00 C ATOM 296 CG LYS A 19 4.699 -8.559 1.876 1.00 0.00 C ATOM 297 CD LYS A 19 3.655 -9.325 1.088 1.00 0.00 C ATOM 298 CE LYS A 19 3.520 -8.780 -0.321 1.00 0.00 C ATOM 299 NZ LYS A 19 4.781 -8.924 -1.098 1.00 0.00 N ATOM 0 H LYS A 19 2.347 -5.644 1.623 1.00 0.00 H new ATOM 0 HA LYS A 19 2.420 -8.103 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.081 -6.608 1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.982 -6.634 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.627 -8.508 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.923 -9.088 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.928 -10.380 1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.694 -9.263 1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.715 -9.303 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.239 -7.728 -0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.573 -8.849 -2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.445 -8.172 -0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.207 -9.852 -0.899 1.00 0.00 H new ATOM 313 N CYS A 20 3.808 -5.731 4.710 1.00 0.00 N ATOM 314 CA CYS A 20 4.130 -5.351 6.076 1.00 0.00 C ATOM 315 C CYS A 20 2.914 -5.467 6.986 1.00 0.00 C ATOM 316 O CYS A 20 3.026 -5.360 8.202 1.00 0.00 O ATOM 317 CB CYS A 20 4.627 -3.905 6.103 1.00 0.00 C ATOM 318 SG CYS A 20 3.325 -2.622 6.308 1.00 0.00 S ATOM 0 H CYS A 20 4.104 -5.058 4.003 1.00 0.00 H new ATOM 0 HA CYS A 20 4.904 -6.028 6.437 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.345 -3.802 6.916 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.165 -3.707 5.176 1.00 0.00 H new ATOM 323 N PHE A 21 1.759 -5.699 6.385 1.00 0.00 N ATOM 324 CA PHE A 21 0.513 -5.781 7.113 1.00 0.00 C ATOM 325 C PHE A 21 -0.063 -7.196 7.100 1.00 0.00 C ATOM 326 O PHE A 21 -0.722 -7.616 8.050 1.00 0.00 O ATOM 327 CB PHE A 21 -0.457 -4.790 6.485 1.00 0.00 C ATOM 328 CG PHE A 21 -1.232 -4.021 7.497 1.00 0.00 C ATOM 329 CD1 PHE A 21 -2.200 -4.654 8.248 1.00 0.00 C ATOM 330 CD2 PHE A 21 -0.992 -2.666 7.697 1.00 0.00 C ATOM 331 CE1 PHE A 21 -2.931 -3.956 9.189 1.00 0.00 C ATOM 332 CE2 PHE A 21 -1.720 -1.965 8.640 1.00 0.00 C ATOM 333 CZ PHE A 21 -2.692 -2.609 9.384 1.00 0.00 C ATOM 0 H PHE A 21 1.663 -5.835 5.379 1.00 0.00 H new ATOM 0 HA PHE A 21 0.685 -5.534 8.160 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.098 -4.095 5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.149 -5.327 5.836 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.388 -5.707 8.099 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.236 -2.161 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.687 -4.462 9.771 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.530 -0.913 8.796 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.264 -2.059 10.117 1.00 0.00 H new ATOM 343 N GLN A 22 0.187 -7.919 6.020 1.00 0.00 N ATOM 344 CA GLN A 22 -0.275 -9.288 5.886 1.00 0.00 C ATOM 345 C GLN A 22 0.881 -10.189 6.284 1.00 0.00 C ATOM 346 O GLN A 22 0.733 -11.114 7.080 1.00 0.00 O ATOM 347 CB GLN A 22 -0.723 -9.561 4.450 1.00 0.00 C ATOM 348 CG GLN A 22 -1.730 -8.550 3.924 1.00 0.00 C ATOM 349 CD GLN A 22 -2.158 -8.839 2.497 1.00 0.00 C ATOM 350 OE1 GLN A 22 -2.471 -7.924 1.735 1.00 0.00 O ATOM 351 NE2 GLN A 22 -2.177 -10.115 2.127 1.00 0.00 N ATOM 0 H GLN A 22 0.713 -7.574 5.217 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.137 -9.476 6.527 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.152 -9.562 3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.161 -10.558 4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.608 -8.549 4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.296 -7.551 3.974 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.910 -10.842 2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.459 -10.367 1.180 1.00 0.00 H new ATOM 360 N TRP A 23 2.034 -9.887 5.699 1.00 0.00 N ATOM 361 CA TRP A 23 3.280 -10.562 6.013 1.00 0.00 C ATOM 362 C TRP A 23 3.472 -10.534 7.515 1.00 0.00 C ATOM 363 O TRP A 23 3.784 -11.544 8.140 1.00 0.00 O ATOM 364 CB TRP A 23 4.443 -9.820 5.345 1.00 0.00 C ATOM 365 CG TRP A 23 5.787 -10.214 5.833 1.00 0.00 C ATOM 366 CD1 TRP A 23 6.579 -11.171 5.318 1.00 0.00 C ATOM 367 CD2 TRP A 23 6.495 -9.636 6.917 1.00 0.00 C ATOM 368 NE1 TRP A 23 7.752 -11.255 6.028 1.00 0.00 N ATOM 369 CE2 TRP A 23 7.724 -10.309 7.021 1.00 0.00 C ATOM 370 CE3 TRP A 23 6.203 -8.616 7.812 1.00 0.00 C ATOM 371 CZ2 TRP A 23 8.664 -9.985 7.995 1.00 0.00 C ATOM 372 CZ3 TRP A 23 7.127 -8.295 8.770 1.00 0.00 C ATOM 373 CH2 TRP A 23 8.348 -8.974 8.860 1.00 0.00 C ATOM 0 H TRP A 23 2.127 -9.161 4.989 1.00 0.00 H new ATOM 0 HA TRP A 23 3.251 -11.590 5.652 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.397 -9.991 4.270 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.313 -8.749 5.503 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.328 -11.786 4.467 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.514 -11.909 5.848 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.264 -8.085 7.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.605 -10.511 8.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.910 -7.502 9.470 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.054 -8.694 9.628 1.00 0.00 H new ATOM 384 N GLN A 24 3.301 -9.339 8.075 1.00 0.00 N ATOM 385 CA GLN A 24 3.422 -9.131 9.504 1.00 0.00 C ATOM 386 C GLN A 24 2.556 -10.126 10.262 1.00 0.00 C ATOM 387 O GLN A 24 2.929 -10.613 11.331 1.00 0.00 O ATOM 388 CB GLN A 24 3.024 -7.699 9.863 1.00 0.00 C ATOM 389 CG GLN A 24 4.193 -6.863 10.362 1.00 0.00 C ATOM 390 CD GLN A 24 4.692 -7.311 11.722 1.00 0.00 C ATOM 391 OE1 GLN A 24 4.228 -6.829 12.754 1.00 0.00 O ATOM 392 NE2 GLN A 24 5.644 -8.238 11.727 1.00 0.00 N ATOM 0 H GLN A 24 3.076 -8.495 7.548 1.00 0.00 H new ATOM 0 HA GLN A 24 4.461 -9.289 9.792 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.589 -7.218 8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.250 -7.725 10.630 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.010 -6.921 9.642 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.890 -5.817 10.417 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.999 -8.609 10.846 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.020 -8.578 12.612 1.00 0.00 H new ATOM 401 N ARG A 25 1.392 -10.417 9.695 1.00 0.00 N ATOM 402 CA ARG A 25 0.460 -11.365 10.287 1.00 0.00 C ATOM 403 C ARG A 25 0.895 -12.787 9.970 1.00 0.00 C ATOM 404 O ARG A 25 0.550 -13.729 10.682 1.00 0.00 O ATOM 405 CB ARG A 25 -0.952 -11.092 9.766 1.00 0.00 C ATOM 406 CG ARG A 25 -1.819 -10.309 10.740 1.00 0.00 C ATOM 407 CD ARG A 25 -1.326 -8.878 10.899 1.00 0.00 C ATOM 408 NE ARG A 25 -2.013 -8.178 11.981 1.00 0.00 N ATOM 409 CZ ARG A 25 -3.044 -7.358 11.792 1.00 0.00 C ATOM 410 NH1 ARG A 25 -3.512 -7.144 10.571 1.00 0.00 N ATOM 411 NH2 ARG A 25 -3.609 -6.753 12.828 1.00 0.00 N ATOM 0 H ARG A 25 1.070 -10.006 8.819 1.00 0.00 H new ATOM 0 HA ARG A 25 0.456 -11.246 11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.884 -10.540 8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.438 -12.042 9.542 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.850 -10.303 10.387 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.817 -10.805 11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.254 -8.884 11.095 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.476 -8.337 9.965 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.684 -8.326 12.935 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.082 -7.609 9.771 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.302 -6.515 10.431 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.253 -6.916 13.770 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.399 -6.125 12.683 1.00 0.00 H new ATOM 425 N ASN A 26 1.656 -12.928 8.894 1.00 0.00 N ATOM 426 CA ASN A 26 2.183 -14.221 8.495 1.00 0.00 C ATOM 427 C ASN A 26 3.513 -14.435 9.192 1.00 0.00 C ATOM 428 O ASN A 26 4.116 -15.501 9.113 1.00 0.00 O ATOM 429 CB ASN A 26 2.365 -14.280 6.980 1.00 0.00 C ATOM 430 CG ASN A 26 1.115 -13.862 6.234 1.00 0.00 C ATOM 431 OD1 ASN A 26 -0.003 -14.127 6.676 1.00 0.00 O ATOM 432 ND2 ASN A 26 1.298 -13.195 5.103 1.00 0.00 N ATOM 0 H ASN A 26 1.922 -12.158 8.281 1.00 0.00 H new ATOM 0 HA ASN A 26 1.483 -15.007 8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.192 -13.632 6.690 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.637 -15.294 6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.494 -12.879 4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.243 -12.998 4.775 1.00 0.00 H new ATOM 439 N MET A 27 3.952 -13.391 9.881 1.00 0.00 N ATOM 440 CA MET A 27 5.203 -13.414 10.619 1.00 0.00 C ATOM 441 C MET A 27 5.042 -14.185 11.914 1.00 0.00 C ATOM 442 O MET A 27 5.985 -14.332 12.690 1.00 0.00 O ATOM 443 CB MET A 27 5.639 -11.989 10.930 1.00 0.00 C ATOM 444 CG MET A 27 7.059 -11.675 10.498 1.00 0.00 C ATOM 445 SD MET A 27 7.963 -10.711 11.725 1.00 0.00 S ATOM 446 CE MET A 27 7.948 -11.834 13.121 1.00 0.00 C ATOM 0 H MET A 27 3.450 -12.505 9.943 1.00 0.00 H new ATOM 0 HA MET A 27 5.959 -13.906 10.008 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.958 -11.295 10.438 1.00 0.00 H new ATOM 0 HB3 MET A 27 5.549 -11.817 12.003 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.592 -12.607 10.310 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.035 -11.126 9.557 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.774 -11.594 13.790 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.005 -11.734 13.658 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.056 -12.859 12.765 1.00 0.00 H new ATOM 456 N ARG A 28 3.834 -14.677 12.136 1.00 0.00 N ATOM 457 CA ARG A 28 3.526 -15.427 13.340 1.00 0.00 C ATOM 458 C ARG A 28 3.542 -16.917 13.047 1.00 0.00 C ATOM 459 O ARG A 28 3.551 -17.742 13.961 1.00 0.00 O ATOM 460 CB ARG A 28 2.160 -15.002 13.894 1.00 0.00 C ATOM 461 CG ARG A 28 0.979 -15.556 13.112 1.00 0.00 C ATOM 462 CD ARG A 28 0.446 -16.836 13.736 1.00 0.00 C ATOM 463 NE ARG A 28 -0.525 -17.499 12.872 1.00 0.00 N ATOM 464 CZ ARG A 28 -1.493 -18.291 13.323 1.00 0.00 C ATOM 465 NH1 ARG A 28 -1.626 -18.509 14.624 1.00 0.00 N ATOM 466 NH2 ARG A 28 -2.332 -18.865 12.471 1.00 0.00 N ATOM 0 H ARG A 28 3.048 -14.569 11.494 1.00 0.00 H new ATOM 0 HA ARG A 28 4.285 -15.214 14.092 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.082 -15.328 14.931 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.103 -13.914 13.897 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.185 -14.811 13.075 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.282 -15.751 12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.275 -17.514 13.938 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.019 -16.606 14.695 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.457 -17.346 11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.984 -18.068 15.283 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.370 -19.117 14.966 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.235 -18.699 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.074 -19.473 12.817 1.00 0.00 H new ATOM 480 N LYS A 29 3.546 -17.255 11.762 1.00 0.00 N ATOM 481 CA LYS A 29 3.549 -18.656 11.355 1.00 0.00 C ATOM 482 C LYS A 29 4.676 -18.991 10.372 1.00 0.00 C ATOM 483 O LYS A 29 5.323 -20.029 10.508 1.00 0.00 O ATOM 484 CB LYS A 29 2.200 -19.018 10.734 1.00 0.00 C ATOM 485 CG LYS A 29 1.863 -18.202 9.496 1.00 0.00 C ATOM 486 CD LYS A 29 0.481 -18.539 8.958 1.00 0.00 C ATOM 487 CE LYS A 29 0.388 -19.986 8.499 1.00 0.00 C ATOM 488 NZ LYS A 29 1.380 -20.299 7.433 1.00 0.00 N ATOM 0 H LYS A 29 3.547 -16.587 10.992 1.00 0.00 H new ATOM 0 HA LYS A 29 3.724 -19.247 12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.202 -20.076 10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.416 -18.875 11.478 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.911 -17.140 9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.609 -18.388 8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.264 -18.355 9.732 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.245 -17.878 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.550 -20.647 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.617 -20.185 8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.902 -20.782 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.810 -19.417 7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.122 -20.917 7.820 1.00 0.00 H new ATOM 502 N VAL A 30 4.913 -18.125 9.386 1.00 0.00 N ATOM 503 CA VAL A 30 5.943 -18.399 8.385 1.00 0.00 C ATOM 504 C VAL A 30 7.104 -17.402 8.378 1.00 0.00 C ATOM 505 O VAL A 30 7.887 -17.343 9.328 1.00 0.00 O ATOM 506 CB VAL A 30 5.343 -18.460 6.986 1.00 0.00 C ATOM 507 CG1 VAL A 30 4.669 -19.795 6.759 1.00 0.00 C ATOM 508 CG2 VAL A 30 4.359 -17.331 6.798 1.00 0.00 C ATOM 0 H VAL A 30 4.416 -17.243 9.260 1.00 0.00 H new ATOM 0 HA VAL A 30 6.354 -19.366 8.674 1.00 0.00 H new ATOM 0 HB VAL A 30 6.143 -18.352 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.245 -19.823 5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.401 -20.595 6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.874 -19.930 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.934 -17.382 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.561 -17.418 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.870 -16.377 6.928 1.00 0.00 H new ATOM 518 N ARG A 31 7.209 -16.626 7.289 1.00 0.00 N ATOM 519 CA ARG A 31 8.286 -15.657 7.119 1.00 0.00 C ATOM 520 C ARG A 31 8.525 -14.880 8.393 1.00 0.00 C ATOM 521 O ARG A 31 7.602 -14.310 8.962 1.00 0.00 O ATOM 522 CB ARG A 31 7.967 -14.687 5.983 1.00 0.00 C ATOM 523 CG ARG A 31 7.927 -15.338 4.612 1.00 0.00 C ATOM 524 CD ARG A 31 9.223 -16.070 4.292 1.00 0.00 C ATOM 525 NE ARG A 31 9.240 -16.580 2.924 1.00 0.00 N ATOM 526 CZ ARG A 31 10.241 -17.296 2.416 1.00 0.00 C ATOM 527 NH1 ARG A 31 11.295 -17.594 3.163 1.00 0.00 N ATOM 528 NH2 ARG A 31 10.185 -17.715 1.159 1.00 0.00 N ATOM 0 H ARG A 31 6.551 -16.657 6.510 1.00 0.00 H new ATOM 0 HA ARG A 31 9.190 -16.213 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.003 -14.217 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.714 -13.893 5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.094 -16.039 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.744 -14.577 3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.066 -15.395 4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.353 -16.898 4.989 1.00 0.00 H new ATOM 0 HE ARG A 31 8.441 -16.376 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.341 -17.275 4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.060 -18.143 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.375 -17.489 0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.952 -18.264 0.770 1.00 0.00 H new ATOM 542 N GLY A 32 9.771 -14.857 8.835 1.00 0.00 N ATOM 543 CA GLY A 32 10.089 -14.143 10.044 1.00 0.00 C ATOM 544 C GLY A 32 11.279 -13.191 9.915 1.00 0.00 C ATOM 545 O GLY A 32 12.021 -13.016 10.883 1.00 0.00 O ATOM 0 H GLY A 32 10.560 -15.317 8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.214 -13.573 10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.299 -14.864 10.834 1.00 0.00 H new ATOM 549 N PRO A 33 11.503 -12.551 8.740 1.00 0.00 N ATOM 550 CA PRO A 33 12.621 -11.616 8.561 1.00 0.00 C ATOM 551 C PRO A 33 12.353 -10.260 9.222 1.00 0.00 C ATOM 552 O PRO A 33 11.223 -9.970 9.614 1.00 0.00 O ATOM 553 CB PRO A 33 12.712 -11.466 7.043 1.00 0.00 C ATOM 554 CG PRO A 33 11.322 -11.687 6.561 1.00 0.00 C ATOM 555 CD PRO A 33 10.707 -12.689 7.501 1.00 0.00 C ATOM 0 HA PRO A 33 13.540 -11.979 9.022 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.076 -10.477 6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.401 -12.193 6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.757 -10.755 6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.320 -12.061 5.537 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.653 -12.476 7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.765 -13.701 7.100 1.00 0.00 H new ATOM 563 N PRO A 34 13.393 -9.414 9.361 1.00 0.00 N ATOM 564 CA PRO A 34 13.258 -8.091 9.984 1.00 0.00 C ATOM 565 C PRO A 34 12.631 -7.048 9.060 1.00 0.00 C ATOM 566 O PRO A 34 13.295 -6.503 8.178 1.00 0.00 O ATOM 567 CB PRO A 34 14.704 -7.716 10.304 1.00 0.00 C ATOM 568 CG PRO A 34 15.510 -8.403 9.257 1.00 0.00 C ATOM 569 CD PRO A 34 14.784 -9.684 8.940 1.00 0.00 C ATOM 0 HA PRO A 34 12.595 -8.120 10.849 1.00 0.00 H new ATOM 0 HB2 PRO A 34 14.850 -6.636 10.272 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.988 -8.047 11.303 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.606 -7.780 8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 34 16.520 -8.606 9.614 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.841 -9.924 7.878 1.00 0.00 H new ATOM 0 HD3 PRO A 34 15.209 -10.529 9.481 1.00 0.00 H new ATOM 577 N VAL A 35 11.343 -6.776 9.271 1.00 0.00 N ATOM 578 CA VAL A 35 10.613 -5.795 8.483 1.00 0.00 C ATOM 579 C VAL A 35 9.588 -5.095 9.364 1.00 0.00 C ATOM 580 O VAL A 35 8.977 -5.717 10.234 1.00 0.00 O ATOM 581 CB VAL A 35 9.878 -6.429 7.281 1.00 0.00 C ATOM 582 CG1 VAL A 35 9.465 -5.356 6.285 1.00 0.00 C ATOM 583 CG2 VAL A 35 10.740 -7.486 6.606 1.00 0.00 C ATOM 0 H VAL A 35 10.782 -7.230 9.992 1.00 0.00 H new ATOM 0 HA VAL A 35 11.346 -5.088 8.095 1.00 0.00 H new ATOM 0 HB VAL A 35 8.979 -6.920 7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.949 -5.819 5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.799 -4.644 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.351 -4.835 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.197 -7.915 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.663 -7.029 6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.979 -8.272 7.322 1.00 0.00 H new ATOM 593 N SER A 36 9.405 -3.807 9.135 1.00 0.00 N ATOM 594 CA SER A 36 8.446 -3.030 9.903 1.00 0.00 C ATOM 595 C SER A 36 7.174 -2.909 9.093 1.00 0.00 C ATOM 596 O SER A 36 6.831 -3.829 8.352 1.00 0.00 O ATOM 597 CB SER A 36 9.006 -1.646 10.231 1.00 0.00 C ATOM 598 OG SER A 36 9.319 -0.928 9.051 1.00 0.00 O ATOM 0 H SER A 36 9.907 -3.276 8.424 1.00 0.00 H new ATOM 0 HA SER A 36 8.240 -3.532 10.848 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.278 -1.086 10.818 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.900 -1.749 10.845 1.00 0.00 H new ATOM 0 HG SER A 36 9.674 -0.046 9.289 1.00 0.00 H new ATOM 604 N CYS A 37 6.464 -1.797 9.218 1.00 0.00 N ATOM 605 CA CYS A 37 5.256 -1.634 8.438 1.00 0.00 C ATOM 606 C CYS A 37 5.158 -0.263 7.805 1.00 0.00 C ATOM 607 O CYS A 37 6.146 0.467 7.716 1.00 0.00 O ATOM 608 CB CYS A 37 4.010 -1.940 9.252 1.00 0.00 C ATOM 609 SG CYS A 37 2.686 -2.719 8.266 1.00 0.00 S ATOM 0 H CYS A 37 6.697 -1.018 9.834 1.00 0.00 H new ATOM 0 HA CYS A 37 5.318 -2.363 7.630 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.276 -2.599 10.078 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.633 -1.016 9.690 1.00 0.00 H new ATOM 614 N ILE A 38 3.957 0.078 7.361 1.00 0.00 N ATOM 615 CA ILE A 38 3.735 1.336 6.684 1.00 0.00 C ATOM 616 C ILE A 38 2.597 2.136 7.282 1.00 0.00 C ATOM 617 O ILE A 38 2.597 3.359 7.186 1.00 0.00 O ATOM 618 CB ILE A 38 3.507 1.079 5.190 1.00 0.00 C ATOM 619 CG1 ILE A 38 4.760 0.415 4.591 1.00 0.00 C ATOM 620 CG2 ILE A 38 3.157 2.369 4.460 1.00 0.00 C ATOM 621 CD1 ILE A 38 5.933 1.359 4.416 1.00 0.00 C ATOM 0 H ILE A 38 3.124 -0.503 7.460 1.00 0.00 H new ATOM 0 HA ILE A 38 4.629 1.946 6.817 1.00 0.00 H new ATOM 0 HB ILE A 38 2.660 0.405 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.064 -0.411 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.504 -0.013 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.001 2.158 3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.246 2.791 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.974 3.083 4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.776 0.816 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.649 2.172 3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.218 1.769 5.385 1.00 0.00 H new ATOM 633 N LYS A 39 1.617 1.477 7.882 1.00 0.00 N ATOM 634 CA LYS A 39 0.550 2.228 8.526 1.00 0.00 C ATOM 635 C LYS A 39 1.198 3.126 9.571 1.00 0.00 C ATOM 636 O LYS A 39 0.613 4.104 10.035 1.00 0.00 O ATOM 637 CB LYS A 39 -0.499 1.316 9.163 1.00 0.00 C ATOM 638 CG LYS A 39 -0.038 0.620 10.437 1.00 0.00 C ATOM 639 CD LYS A 39 0.993 -0.460 10.149 1.00 0.00 C ATOM 640 CE LYS A 39 1.065 -1.477 11.276 1.00 0.00 C ATOM 641 NZ LYS A 39 1.346 -0.837 12.592 1.00 0.00 N ATOM 0 H LYS A 39 1.537 0.462 7.937 1.00 0.00 H new ATOM 0 HA LYS A 39 0.016 2.818 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.388 1.906 9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.794 0.559 8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.387 1.356 11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.897 0.177 10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.741 -0.966 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.972 -0.002 10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.123 -2.022 11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.843 -2.208 11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.749 -1.272 13.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.348 -0.972 12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.138 0.180 12.535 1.00 0.00 H new ATOM 655 N ARG A 40 2.431 2.761 9.921 1.00 0.00 N ATOM 656 CA ARG A 40 3.238 3.519 10.858 1.00 0.00 C ATOM 657 C ARG A 40 3.962 4.600 10.083 1.00 0.00 C ATOM 658 O ARG A 40 3.646 4.844 8.926 1.00 0.00 O ATOM 659 CB ARG A 40 4.268 2.625 11.548 1.00 0.00 C ATOM 660 CG ARG A 40 3.795 1.200 11.766 1.00 0.00 C ATOM 661 CD ARG A 40 4.904 0.320 12.313 1.00 0.00 C ATOM 662 NE ARG A 40 5.396 0.793 13.603 1.00 0.00 N ATOM 663 CZ ARG A 40 6.237 0.106 14.369 1.00 0.00 C ATOM 664 NH1 ARG A 40 6.684 -1.079 13.972 1.00 0.00 N ATOM 665 NH2 ARG A 40 6.635 0.603 15.533 1.00 0.00 N ATOM 0 H ARG A 40 2.894 1.928 9.558 1.00 0.00 H new ATOM 0 HA ARG A 40 2.592 3.946 11.625 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.179 2.608 10.950 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.528 3.063 12.512 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.953 1.198 12.458 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.434 0.788 10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.537 -0.701 12.418 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.728 0.291 11.600 1.00 0.00 H new ATOM 0 HE ARG A 40 5.076 1.703 13.936 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.382 -1.464 13.077 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.329 -1.604 14.562 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.295 1.514 15.841 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.281 0.074 16.119 1.00 0.00 H new ATOM 679 N ASP A 41 4.925 5.250 10.703 1.00 0.00 N ATOM 680 CA ASP A 41 5.655 6.287 10.029 1.00 0.00 C ATOM 681 C ASP A 41 7.059 6.378 10.577 1.00 0.00 C ATOM 682 O ASP A 41 7.660 7.452 10.612 1.00 0.00 O ATOM 683 CB ASP A 41 4.903 7.592 10.149 1.00 0.00 C ATOM 684 CG ASP A 41 4.524 7.920 11.580 1.00 0.00 C ATOM 685 OD1 ASP A 41 5.416 8.332 12.352 1.00 0.00 O ATOM 686 OD2 ASP A 41 3.334 7.767 11.929 1.00 0.00 O ATOM 0 H ASP A 41 5.214 5.076 11.666 1.00 0.00 H new ATOM 0 HA ASP A 41 5.744 6.052 8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.516 8.398 9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.000 7.543 9.540 1.00 0.00 H new ATOM 691 N SER A 42 7.560 5.233 11.023 1.00 0.00 N ATOM 692 CA SER A 42 8.898 5.142 11.569 1.00 0.00 C ATOM 693 C SER A 42 9.869 5.893 10.673 1.00 0.00 C ATOM 694 O SER A 42 9.596 6.097 9.490 1.00 0.00 O ATOM 695 CB SER A 42 9.317 3.675 11.666 1.00 0.00 C ATOM 696 OG SER A 42 10.066 3.427 12.842 1.00 0.00 O ATOM 0 H SER A 42 7.050 4.350 11.015 1.00 0.00 H new ATOM 0 HA SER A 42 8.910 5.586 12.565 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.431 3.041 11.657 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.910 3.406 10.792 1.00 0.00 H new ATOM 0 HG SER A 42 10.318 2.480 12.876 1.00 0.00 H new ATOM 702 N PRO A 43 11.015 6.324 11.215 1.00 0.00 N ATOM 703 CA PRO A 43 12.020 7.036 10.431 1.00 0.00 C ATOM 704 C PRO A 43 12.659 6.129 9.385 1.00 0.00 C ATOM 705 O PRO A 43 13.770 6.387 8.923 1.00 0.00 O ATOM 706 CB PRO A 43 13.053 7.468 11.475 1.00 0.00 C ATOM 707 CG PRO A 43 12.877 6.514 12.606 1.00 0.00 C ATOM 708 CD PRO A 43 11.417 6.164 12.623 1.00 0.00 C ATOM 0 HA PRO A 43 11.596 7.872 9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.065 7.421 11.072 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.885 8.496 11.795 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.491 5.624 12.466 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.182 6.966 13.550 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.251 5.146 12.976 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.852 6.825 13.280 1.00 0.00 H new ATOM 716 N ILE A 44 11.946 5.063 9.015 1.00 0.00 N ATOM 717 CA ILE A 44 12.446 4.121 8.023 1.00 0.00 C ATOM 718 C ILE A 44 11.549 4.105 6.793 1.00 0.00 C ATOM 719 O ILE A 44 11.889 3.516 5.766 1.00 0.00 O ATOM 720 CB ILE A 44 12.543 2.694 8.602 1.00 0.00 C ATOM 721 CG1 ILE A 44 13.159 2.730 10.005 1.00 0.00 C ATOM 722 CG2 ILE A 44 13.363 1.801 7.679 1.00 0.00 C ATOM 723 CD1 ILE A 44 13.167 1.385 10.701 1.00 0.00 C ATOM 0 H ILE A 44 11.025 4.835 9.388 1.00 0.00 H new ATOM 0 HA ILE A 44 13.444 4.452 7.738 1.00 0.00 H new ATOM 0 HB ILE A 44 11.538 2.279 8.677 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.182 3.098 9.933 1.00 0.00 H new ATOM 0 HG13 ILE A 44 12.606 3.443 10.617 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.422 0.798 8.101 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.887 1.755 6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.368 2.211 7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 44 13.618 1.489 11.688 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.144 1.023 10.805 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.745 0.674 10.111 1.00 0.00 H new ATOM 735 N GLN A 45 10.400 4.764 6.901 1.00 0.00 N ATOM 736 CA GLN A 45 9.447 4.824 5.799 1.00 0.00 C ATOM 737 C GLN A 45 9.100 6.269 5.440 1.00 0.00 C ATOM 738 O GLN A 45 8.736 6.561 4.300 1.00 0.00 O ATOM 739 CB GLN A 45 8.175 4.054 6.163 1.00 0.00 C ATOM 740 CG GLN A 45 7.381 4.687 7.293 1.00 0.00 C ATOM 741 CD GLN A 45 6.071 3.970 7.553 1.00 0.00 C ATOM 742 OE1 GLN A 45 5.065 4.236 6.898 1.00 0.00 O ATOM 743 NE2 GLN A 45 6.070 3.063 8.521 1.00 0.00 N ATOM 0 H GLN A 45 10.106 5.264 7.740 1.00 0.00 H new ATOM 0 HA GLN A 45 9.912 4.363 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.540 3.981 5.280 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.445 3.037 6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.982 4.681 8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.179 5.730 7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.926 2.871 9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.213 2.557 8.745 1.00 0.00 H new ATOM 752 N CYS A 46 9.210 7.167 6.416 1.00 0.00 N ATOM 753 CA CYS A 46 8.906 8.579 6.197 1.00 0.00 C ATOM 754 C CYS A 46 9.917 9.462 6.906 1.00 0.00 C ATOM 755 O CYS A 46 10.144 9.320 8.109 1.00 0.00 O ATOM 756 CB CYS A 46 7.502 8.901 6.694 1.00 0.00 C ATOM 757 SG CYS A 46 6.915 10.578 6.267 1.00 0.00 S ATOM 0 H CYS A 46 9.507 6.942 7.366 1.00 0.00 H new ATOM 0 HA CYS A 46 8.960 8.776 5.126 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.807 8.170 6.281 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.478 8.786 7.778 1.00 0.00 H new ATOM 762 N ILE A 47 10.524 10.376 6.158 1.00 0.00 N ATOM 763 CA ILE A 47 11.528 11.269 6.717 1.00 0.00 C ATOM 764 C ILE A 47 11.425 12.668 6.117 1.00 0.00 C ATOM 765 O ILE A 47 11.833 13.650 6.736 1.00 0.00 O ATOM 766 CB ILE A 47 12.944 10.713 6.470 1.00 0.00 C ATOM 767 CG1 ILE A 47 12.979 9.211 6.771 1.00 0.00 C ATOM 768 CG2 ILE A 47 13.962 11.455 7.324 1.00 0.00 C ATOM 769 CD1 ILE A 47 14.150 8.493 6.138 1.00 0.00 C ATOM 0 H ILE A 47 10.338 10.517 5.165 1.00 0.00 H new ATOM 0 HA ILE A 47 11.343 11.335 7.789 1.00 0.00 H new ATOM 0 HB ILE A 47 13.203 10.864 5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.016 9.066 7.851 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.052 8.757 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.957 11.050 7.138 1.00 0.00 H new ATOM 0 HG22 ILE A 47 13.948 12.515 7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.712 11.332 8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.109 7.434 6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.104 8.606 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.082 8.920 6.508 1.00 0.00 H new ATOM 781 N GLN A 48 10.876 12.750 4.909 1.00 0.00 N ATOM 782 CA GLN A 48 10.719 14.031 4.229 1.00 0.00 C ATOM 783 C GLN A 48 9.568 14.830 4.833 1.00 0.00 C ATOM 784 O GLN A 48 8.409 14.656 4.454 1.00 0.00 O ATOM 785 CB GLN A 48 10.476 13.813 2.733 1.00 0.00 C ATOM 786 CG GLN A 48 11.668 13.212 2.006 1.00 0.00 C ATOM 787 CD GLN A 48 11.403 13.008 0.526 1.00 0.00 C ATOM 788 OE1 GLN A 48 10.631 13.747 -0.086 1.00 0.00 O ATOM 789 NE2 GLN A 48 12.045 12.003 -0.056 1.00 0.00 N ATOM 0 H GLN A 48 10.533 11.947 4.382 1.00 0.00 H new ATOM 0 HA GLN A 48 11.640 14.599 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.614 13.158 2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.222 14.767 2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.532 13.864 2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.923 12.255 2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.676 11.416 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.908 11.817 -1.050 1.00 0.00 H new ATOM 798 N ALA A 49 9.898 15.710 5.774 1.00 0.00 N ATOM 799 CA ALA A 49 8.894 16.537 6.433 1.00 0.00 C ATOM 800 C ALA A 49 8.308 17.562 5.468 1.00 0.00 C ATOM 801 O ALA A 49 7.276 17.256 4.836 1.00 0.00 O ATOM 802 CB ALA A 49 9.496 17.231 7.647 1.00 0.00 C ATOM 803 OXT ALA A 49 8.886 18.664 5.353 1.00 0.00 O ATOM 0 H ALA A 49 10.853 15.868 6.097 1.00 0.00 H new ATOM 0 HA ALA A 49 8.084 15.888 6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.735 17.845 8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.859 16.482 8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.326 17.863 7.331 1.00 0.00 H new TER 809 ALA A 49