USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 306 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 THR N :NH3+ 145:sc= 0.0841 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 160:sc= 0.0542 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0195 (180deg=-0.212) USER MOD Single : A 7 LYS NZ :NH3+ -112:sc= 0.844 (180deg=-0.553) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 24 CYS SG : rot 96:sc= 0.292 USER MOD Single : A 25 THR OG1 : rot -89:sc= 1.49 USER MOD Single : A 29 SER OG : rot 83:sc= 0.694 USER MOD Single : A 33 LYS NZ :NH3+ -140:sc= -1.18 (180deg=-3.44!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -20.192 -0.357 -5.536 1.00 0.00 N ATOM 2 CA THR A 1 -20.152 -1.465 -4.560 1.00 0.00 C ATOM 3 C THR A 1 -21.380 -1.420 -3.660 1.00 0.00 C ATOM 4 O THR A 1 -21.448 -0.626 -2.723 1.00 0.00 O ATOM 5 CB THR A 1 -18.882 -1.387 -3.690 1.00 0.00 C ATOM 6 OG1 THR A 1 -17.735 -1.142 -4.516 1.00 0.00 O ATOM 7 CG2 THR A 1 -18.681 -2.681 -2.914 1.00 0.00 C ATOM 0 H1 THR A 1 -19.226 -0.015 -5.713 1.00 0.00 H new ATOM 0 H2 THR A 1 -20.609 -0.694 -6.427 1.00 0.00 H new ATOM 0 H3 THR A 1 -20.769 0.420 -5.156 1.00 0.00 H new ATOM 0 HA THR A 1 -20.141 -2.401 -5.118 1.00 0.00 H new ATOM 0 HB THR A 1 -19.003 -0.567 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 1 -17.008 -0.780 -3.967 1.00 0.00 H new ATOM 0 HG21 THR A 1 -17.779 -2.605 -2.307 1.00 0.00 H new ATOM 0 HG22 THR A 1 -19.541 -2.855 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 1 -18.579 -3.512 -3.612 1.00 0.00 H new ATOM 17 N TRP A 2 -22.350 -2.274 -3.961 1.00 0.00 N ATOM 18 CA TRP A 2 -23.599 -2.326 -3.217 1.00 0.00 C ATOM 19 C TRP A 2 -23.342 -2.697 -1.764 1.00 0.00 C ATOM 20 O TRP A 2 -23.910 -2.111 -0.842 1.00 0.00 O ATOM 21 CB TRP A 2 -24.541 -3.340 -3.870 1.00 0.00 C ATOM 22 CG TRP A 2 -25.920 -3.372 -3.284 1.00 0.00 C ATOM 23 CD1 TRP A 2 -27.020 -2.700 -3.734 1.00 0.00 C ATOM 24 CD2 TRP A 2 -26.348 -4.119 -2.144 1.00 0.00 C ATOM 25 NE1 TRP A 2 -28.104 -2.989 -2.941 1.00 0.00 N ATOM 26 CE2 TRP A 2 -27.716 -3.859 -1.959 1.00 0.00 C ATOM 27 CE3 TRP A 2 -25.700 -4.984 -1.265 1.00 0.00 C ATOM 28 CZ2 TRP A 2 -28.448 -4.436 -0.926 1.00 0.00 C ATOM 29 CZ3 TRP A 2 -26.425 -5.556 -0.240 1.00 0.00 C ATOM 30 CH2 TRP A 2 -27.789 -5.283 -0.079 1.00 0.00 C ATOM 0 H TRP A 2 -22.292 -2.947 -4.725 1.00 0.00 H new ATOM 0 HA TRP A 2 -24.065 -1.341 -3.236 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -24.617 -3.114 -4.934 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -24.101 -4.333 -3.785 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -27.036 -2.039 -4.588 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -29.045 -2.616 -3.064 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -24.649 -5.203 -1.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -29.499 -4.222 -0.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -25.932 -6.225 0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -28.331 -5.751 0.730 1.00 0.00 H new ATOM 41 N SER A 3 -22.468 -3.660 -1.566 1.00 0.00 N ATOM 42 CA SER A 3 -22.167 -4.149 -0.237 1.00 0.00 C ATOM 43 C SER A 3 -20.945 -3.430 0.332 1.00 0.00 C ATOM 44 O SER A 3 -19.842 -3.976 0.355 1.00 0.00 O ATOM 45 CB SER A 3 -21.939 -5.665 -0.275 1.00 0.00 C ATOM 46 OG SER A 3 -21.959 -6.229 1.027 1.00 0.00 O ATOM 0 H SER A 3 -21.950 -4.123 -2.313 1.00 0.00 H new ATOM 0 HA SER A 3 -23.015 -3.943 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.709 -6.134 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.981 -5.878 -0.750 1.00 0.00 H new ATOM 0 HG SER A 3 -21.812 -7.196 0.967 1.00 0.00 H new ATOM 52 N GLY A 4 -21.147 -2.190 0.768 1.00 0.00 N ATOM 53 CA GLY A 4 -20.080 -1.443 1.405 1.00 0.00 C ATOM 54 C GLY A 4 -19.308 -0.571 0.435 1.00 0.00 C ATOM 55 O GLY A 4 -18.322 -1.011 -0.154 1.00 0.00 O ATOM 0 H GLY A 4 -22.032 -1.690 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.501 -0.817 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.393 -2.139 1.885 1.00 0.00 H new ATOM 59 N THR A 5 -19.744 0.670 0.285 1.00 0.00 N ATOM 60 CA THR A 5 -19.101 1.602 -0.628 1.00 0.00 C ATOM 61 C THR A 5 -17.792 2.136 -0.049 1.00 0.00 C ATOM 62 O THR A 5 -16.715 1.923 -0.610 1.00 0.00 O ATOM 63 CB THR A 5 -20.034 2.785 -0.955 1.00 0.00 C ATOM 64 OG1 THR A 5 -20.669 3.257 0.243 1.00 0.00 O ATOM 65 CG2 THR A 5 -21.093 2.383 -1.966 1.00 0.00 C ATOM 0 H THR A 5 -20.544 1.056 0.786 1.00 0.00 H new ATOM 0 HA THR A 5 -18.882 1.053 -1.544 1.00 0.00 H new ATOM 0 HB THR A 5 -19.428 3.582 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 5 -21.258 4.009 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 5 -21.737 3.237 -2.178 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.611 2.055 -2.887 1.00 0.00 H new ATOM 0 HG23 THR A 5 -21.693 1.568 -1.560 1.00 0.00 H new ATOM 73 N LYS A 6 -17.892 2.799 1.096 1.00 0.00 N ATOM 74 CA LYS A 6 -16.745 3.456 1.709 1.00 0.00 C ATOM 75 C LYS A 6 -15.742 2.441 2.241 1.00 0.00 C ATOM 76 O LYS A 6 -14.536 2.675 2.190 1.00 0.00 O ATOM 77 CB LYS A 6 -17.197 4.386 2.835 1.00 0.00 C ATOM 78 CG LYS A 6 -18.087 5.525 2.364 1.00 0.00 C ATOM 79 CD LYS A 6 -18.459 6.454 3.509 1.00 0.00 C ATOM 80 CE LYS A 6 -19.423 7.543 3.061 1.00 0.00 C ATOM 81 NZ LYS A 6 -20.734 6.990 2.630 1.00 0.00 N ATOM 0 H LYS A 6 -18.761 2.896 1.621 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.252 4.047 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.733 3.803 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.317 4.803 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.574 6.091 1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.993 5.118 1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.912 5.876 4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.556 6.911 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.579 8.247 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.979 8.103 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.425 7.762 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.626 6.519 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.069 6.302 3.334 1.00 0.00 H new ATOM 95 N LYS A 7 -16.230 1.311 2.739 1.00 0.00 N ATOM 96 CA LYS A 7 -15.344 0.283 3.269 1.00 0.00 C ATOM 97 C LYS A 7 -14.505 -0.312 2.141 1.00 0.00 C ATOM 98 O LYS A 7 -13.366 -0.724 2.352 1.00 0.00 O ATOM 99 CB LYS A 7 -16.133 -0.811 4.020 1.00 0.00 C ATOM 100 CG LYS A 7 -16.987 -1.723 3.142 1.00 0.00 C ATOM 101 CD LYS A 7 -16.177 -2.877 2.565 1.00 0.00 C ATOM 102 CE LYS A 7 -17.022 -3.767 1.672 1.00 0.00 C ATOM 103 NZ LYS A 7 -18.104 -4.446 2.428 1.00 0.00 N ATOM 0 H LYS A 7 -17.224 1.085 2.787 1.00 0.00 H new ATOM 0 HA LYS A 7 -14.674 0.745 3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.427 -1.428 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.781 -0.330 4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.816 -2.119 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -17.421 -1.142 2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.337 -2.482 1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.759 -3.470 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.459 -3.168 0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.386 -4.515 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.913 -5.468 2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -18.144 -4.065 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -19.015 -4.282 1.954 1.00 0.00 H new ATOM 117 N ARG A 8 -15.072 -0.331 0.938 1.00 0.00 N ATOM 118 CA ARG A 8 -14.367 -0.832 -0.228 1.00 0.00 C ATOM 119 C ARG A 8 -13.301 0.177 -0.630 1.00 0.00 C ATOM 120 O ARG A 8 -12.160 -0.185 -0.896 1.00 0.00 O ATOM 121 CB ARG A 8 -15.355 -1.090 -1.377 1.00 0.00 C ATOM 122 CG ARG A 8 -14.771 -1.840 -2.572 1.00 0.00 C ATOM 123 CD ARG A 8 -13.971 -0.929 -3.491 1.00 0.00 C ATOM 124 NE ARG A 8 -13.448 -1.641 -4.657 1.00 0.00 N ATOM 125 CZ ARG A 8 -12.897 -1.035 -5.707 1.00 0.00 C ATOM 126 NH1 ARG A 8 -12.782 0.284 -5.731 1.00 0.00 N ATOM 127 NH2 ARG A 8 -12.452 -1.750 -6.733 1.00 0.00 N ATOM 0 H ARG A 8 -16.019 -0.004 0.749 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.884 -1.780 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.201 -1.657 -0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.745 -0.133 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.130 -2.645 -2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.579 -2.304 -3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.603 -0.106 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.143 -0.490 -2.934 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.509 -2.659 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.116 0.839 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.359 0.744 -6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.532 -2.767 -6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.031 -1.283 -7.536 1.00 0.00 H new ATOM 141 N ALA A 9 -13.682 1.447 -0.643 1.00 0.00 N ATOM 142 CA ALA A 9 -12.753 2.523 -0.942 1.00 0.00 C ATOM 143 C ALA A 9 -11.592 2.523 0.044 1.00 0.00 C ATOM 144 O ALA A 9 -10.429 2.502 -0.350 1.00 0.00 O ATOM 145 CB ALA A 9 -13.475 3.860 -0.911 1.00 0.00 C ATOM 0 H ALA A 9 -14.634 1.756 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.350 2.364 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.770 4.660 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.273 3.860 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.901 4.021 0.079 1.00 0.00 H new ATOM 151 N GLN A 10 -11.923 2.511 1.330 1.00 0.00 N ATOM 152 CA GLN A 10 -10.921 2.550 2.386 1.00 0.00 C ATOM 153 C GLN A 10 -10.016 1.320 2.358 1.00 0.00 C ATOM 154 O GLN A 10 -8.834 1.412 2.690 1.00 0.00 O ATOM 155 CB GLN A 10 -11.591 2.674 3.756 1.00 0.00 C ATOM 156 CG GLN A 10 -12.249 4.026 3.991 1.00 0.00 C ATOM 157 CD GLN A 10 -12.911 4.134 5.354 1.00 0.00 C ATOM 158 OE1 GLN A 10 -13.425 3.026 5.866 1.00 0.00 O flip ATOM 159 NE2 GLN A 10 -12.965 5.211 5.945 1.00 0.00 N flip ATOM 0 H GLN A 10 -12.885 2.474 1.667 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.298 3.427 2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.343 1.891 3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.846 2.502 4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.499 4.811 3.894 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.995 4.201 3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.559 6.046 5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.416 5.270 6.858 1.00 0.00 H new ATOM 168 N ARG A 11 -10.555 0.171 1.964 1.00 0.00 N ATOM 169 CA ARG A 11 -9.752 -1.045 1.940 1.00 0.00 C ATOM 170 C ARG A 11 -8.757 -0.996 0.783 1.00 0.00 C ATOM 171 O ARG A 11 -7.674 -1.569 0.870 1.00 0.00 O ATOM 172 CB ARG A 11 -10.626 -2.307 1.859 1.00 0.00 C ATOM 173 CG ARG A 11 -11.122 -2.649 0.465 1.00 0.00 C ATOM 174 CD ARG A 11 -11.997 -3.892 0.477 1.00 0.00 C ATOM 175 NE ARG A 11 -11.306 -5.053 1.043 1.00 0.00 N ATOM 176 CZ ARG A 11 -10.835 -6.071 0.319 1.00 0.00 C ATOM 177 NH1 ARG A 11 -10.931 -6.053 -1.003 1.00 0.00 N ATOM 178 NH2 ARG A 11 -10.260 -7.105 0.923 1.00 0.00 N ATOM 0 H ARG A 11 -11.523 0.057 1.663 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.199 -1.099 2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.056 -3.152 2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.487 -2.178 2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.687 -1.808 0.062 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.271 -2.808 -0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.900 -3.692 1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.313 -4.121 -0.541 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.177 -5.086 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.366 -5.259 -1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.569 -6.833 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.178 -7.121 1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.900 -7.883 0.370 1.00 0.00 H new ATOM 192 N ILE A 12 -9.117 -0.283 -0.285 1.00 0.00 N ATOM 193 CA ILE A 12 -8.208 -0.083 -1.411 1.00 0.00 C ATOM 194 C ILE A 12 -6.965 0.669 -0.945 1.00 0.00 C ATOM 195 O ILE A 12 -5.847 0.379 -1.377 1.00 0.00 O ATOM 196 CB ILE A 12 -8.885 0.698 -2.563 1.00 0.00 C ATOM 197 CG1 ILE A 12 -10.056 -0.103 -3.143 1.00 0.00 C ATOM 198 CG2 ILE A 12 -7.882 1.038 -3.657 1.00 0.00 C ATOM 199 CD1 ILE A 12 -9.659 -1.450 -3.716 1.00 0.00 C ATOM 0 H ILE A 12 -10.028 0.163 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.928 -1.066 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.271 1.632 -2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.800 -0.257 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.534 0.487 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.385 1.586 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.084 1.653 -3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.458 0.118 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.543 -1.954 -4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.939 -1.305 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.209 -2.060 -2.933 1.00 0.00 H new ATOM 211 N LEU A 13 -7.175 1.613 -0.031 1.00 0.00 N ATOM 212 CA LEU A 13 -6.089 2.387 0.553 1.00 0.00 C ATOM 213 C LEU A 13 -5.077 1.482 1.240 1.00 0.00 C ATOM 214 O LEU A 13 -3.886 1.784 1.265 1.00 0.00 O ATOM 215 CB LEU A 13 -6.626 3.416 1.555 1.00 0.00 C ATOM 216 CG LEU A 13 -7.062 4.762 0.966 1.00 0.00 C ATOM 217 CD1 LEU A 13 -8.177 4.586 -0.050 1.00 0.00 C ATOM 218 CD2 LEU A 13 -7.503 5.696 2.078 1.00 0.00 C ATOM 0 H LEU A 13 -8.099 1.860 0.323 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.591 2.914 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.477 2.977 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.855 3.602 2.303 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.208 5.199 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.463 5.559 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.831 3.948 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.039 4.124 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.811 6.650 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.341 5.252 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.674 5.858 2.767 1.00 0.00 H new ATOM 230 N ILE A 14 -5.556 0.374 1.787 1.00 0.00 N ATOM 231 CA ILE A 14 -4.684 -0.597 2.429 1.00 0.00 C ATOM 232 C ILE A 14 -3.728 -1.199 1.408 1.00 0.00 C ATOM 233 O ILE A 14 -2.514 -1.219 1.611 1.00 0.00 O ATOM 234 CB ILE A 14 -5.496 -1.724 3.103 1.00 0.00 C ATOM 235 CG1 ILE A 14 -6.437 -1.132 4.155 1.00 0.00 C ATOM 236 CG2 ILE A 14 -4.565 -2.756 3.733 1.00 0.00 C ATOM 237 CD1 ILE A 14 -7.330 -2.153 4.825 1.00 0.00 C ATOM 0 H ILE A 14 -6.545 0.126 1.799 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.116 -0.075 3.199 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.093 -2.228 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.843 -0.628 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.061 -0.372 3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.157 -3.541 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.930 -3.192 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.942 -2.273 4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.966 -1.655 5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.952 -2.640 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.715 -2.900 5.327 1.00 0.00 H new ATOM 249 N PHE A 15 -4.286 -1.653 0.295 1.00 0.00 N ATOM 250 CA PHE A 15 -3.508 -2.294 -0.756 1.00 0.00 C ATOM 251 C PHE A 15 -2.552 -1.308 -1.417 1.00 0.00 C ATOM 252 O PHE A 15 -1.416 -1.656 -1.744 1.00 0.00 O ATOM 253 CB PHE A 15 -4.436 -2.899 -1.807 1.00 0.00 C ATOM 254 CG PHE A 15 -5.316 -3.986 -1.266 1.00 0.00 C ATOM 255 CD1 PHE A 15 -4.862 -5.292 -1.193 1.00 0.00 C ATOM 256 CD2 PHE A 15 -6.594 -3.700 -0.828 1.00 0.00 C ATOM 257 CE1 PHE A 15 -5.672 -6.293 -0.689 1.00 0.00 C ATOM 258 CE2 PHE A 15 -7.408 -4.692 -0.323 1.00 0.00 C ATOM 259 CZ PHE A 15 -6.949 -5.991 -0.255 1.00 0.00 C ATOM 0 H PHE A 15 -5.284 -1.588 0.095 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.917 -3.087 -0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.061 -2.111 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.836 -3.300 -2.624 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.865 -5.531 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.961 -2.686 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.308 -7.308 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.404 -4.452 0.019 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.586 -6.770 0.136 1.00 0.00 H new ATOM 269 N LEU A 16 -3.013 -0.081 -1.616 1.00 0.00 N ATOM 270 CA LEU A 16 -2.179 0.946 -2.220 1.00 0.00 C ATOM 271 C LEU A 16 -1.050 1.330 -1.266 1.00 0.00 C ATOM 272 O LEU A 16 0.066 1.618 -1.696 1.00 0.00 O ATOM 273 CB LEU A 16 -3.037 2.160 -2.646 1.00 0.00 C ATOM 274 CG LEU A 16 -3.291 3.250 -1.601 1.00 0.00 C ATOM 275 CD1 LEU A 16 -2.089 4.170 -1.494 1.00 0.00 C ATOM 276 CD2 LEU A 16 -4.531 4.047 -1.970 1.00 0.00 C ATOM 0 H LEU A 16 -3.954 0.225 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.718 0.554 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.557 2.625 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.004 1.786 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.452 2.776 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.285 4.939 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.214 3.592 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.904 4.640 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.703 4.820 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.387 4.513 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.393 3.381 -2.009 1.00 0.00 H new ATOM 288 N LEU A 17 -1.338 1.306 0.032 1.00 0.00 N ATOM 289 CA LEU A 17 -0.331 1.605 1.040 1.00 0.00 C ATOM 290 C LEU A 17 0.708 0.487 1.057 1.00 0.00 C ATOM 291 O LEU A 17 1.913 0.743 1.081 1.00 0.00 O ATOM 292 CB LEU A 17 -0.994 1.761 2.418 1.00 0.00 C ATOM 293 CG LEU A 17 -0.229 2.609 3.446 1.00 0.00 C ATOM 294 CD1 LEU A 17 -1.138 2.974 4.608 1.00 0.00 C ATOM 295 CD2 LEU A 17 0.999 1.876 3.963 1.00 0.00 C ATOM 0 H LEU A 17 -2.259 1.083 0.408 1.00 0.00 H new ATOM 0 HA LEU A 17 0.166 2.545 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.980 2.202 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.147 0.767 2.839 1.00 0.00 H new ATOM 0 HG LEU A 17 0.102 3.519 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.583 3.575 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.990 3.545 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.494 2.064 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.518 2.503 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.693 0.945 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.667 1.654 3.131 1.00 0.00 H new ATOM 307 N GLU A 18 0.227 -0.753 1.016 1.00 0.00 N ATOM 308 CA GLU A 18 1.100 -1.916 0.948 1.00 0.00 C ATOM 309 C GLU A 18 1.987 -1.853 -0.290 1.00 0.00 C ATOM 310 O GLU A 18 3.169 -2.198 -0.232 1.00 0.00 O ATOM 311 CB GLU A 18 0.274 -3.201 0.936 1.00 0.00 C ATOM 312 CG GLU A 18 -0.439 -3.481 2.250 1.00 0.00 C ATOM 313 CD GLU A 18 0.525 -3.690 3.398 1.00 0.00 C ATOM 314 OE1 GLU A 18 1.454 -4.510 3.251 1.00 0.00 O ATOM 315 OE2 GLU A 18 0.364 -3.034 4.449 1.00 0.00 O ATOM 0 H GLU A 18 -0.768 -0.976 1.029 1.00 0.00 H new ATOM 0 HA GLU A 18 1.738 -1.915 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.465 -3.140 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.928 -4.041 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.103 -2.649 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.065 -4.367 2.139 1.00 0.00 H new ATOM 322 N PHE A 19 1.409 -1.407 -1.403 1.00 0.00 N ATOM 323 CA PHE A 19 2.158 -1.217 -2.638 1.00 0.00 C ATOM 324 C PHE A 19 3.287 -0.217 -2.427 1.00 0.00 C ATOM 325 O PHE A 19 4.435 -0.492 -2.767 1.00 0.00 O ATOM 326 CB PHE A 19 1.235 -0.735 -3.761 1.00 0.00 C ATOM 327 CG PHE A 19 1.963 -0.467 -5.047 1.00 0.00 C ATOM 328 CD1 PHE A 19 2.402 -1.514 -5.838 1.00 0.00 C ATOM 329 CD2 PHE A 19 2.222 0.830 -5.457 1.00 0.00 C ATOM 330 CE1 PHE A 19 3.083 -1.273 -7.014 1.00 0.00 C ATOM 331 CE2 PHE A 19 2.905 1.078 -6.630 1.00 0.00 C ATOM 332 CZ PHE A 19 3.335 0.024 -7.410 1.00 0.00 C ATOM 0 H PHE A 19 0.419 -1.170 -1.472 1.00 0.00 H new ATOM 0 HA PHE A 19 2.587 -2.177 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.464 -1.485 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.728 0.175 -3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.210 -2.532 -5.532 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.885 1.658 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.418 -2.099 -7.624 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.103 2.094 -6.937 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.868 0.214 -8.330 1.00 0.00 H new ATOM 342 N LEU A 20 2.955 0.936 -1.856 1.00 0.00 N ATOM 343 CA LEU A 20 3.939 1.983 -1.593 1.00 0.00 C ATOM 344 C LEU A 20 5.093 1.470 -0.736 1.00 0.00 C ATOM 345 O LEU A 20 6.237 1.883 -0.915 1.00 0.00 O ATOM 346 CB LEU A 20 3.267 3.175 -0.907 1.00 0.00 C ATOM 347 CG LEU A 20 2.764 4.288 -1.834 1.00 0.00 C ATOM 348 CD1 LEU A 20 2.006 3.724 -3.026 1.00 0.00 C ATOM 349 CD2 LEU A 20 1.874 5.237 -1.054 1.00 0.00 C ATOM 0 H LEU A 20 2.006 1.171 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 20 4.351 2.300 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.423 2.805 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.975 3.609 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 20 3.630 4.827 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.665 4.542 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.664 3.070 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.146 3.155 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.518 6.027 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.022 4.689 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.442 5.678 -0.235 1.00 0.00 H new ATOM 361 N LEU A 21 4.790 0.576 0.196 1.00 0.00 N ATOM 362 CA LEU A 21 5.814 -0.008 1.053 1.00 0.00 C ATOM 363 C LEU A 21 6.673 -0.985 0.267 1.00 0.00 C ATOM 364 O LEU A 21 7.895 -0.864 0.237 1.00 0.00 O ATOM 365 CB LEU A 21 5.172 -0.737 2.232 1.00 0.00 C ATOM 366 CG LEU A 21 4.196 0.094 3.057 1.00 0.00 C ATOM 367 CD1 LEU A 21 3.535 -0.772 4.114 1.00 0.00 C ATOM 368 CD2 LEU A 21 4.903 1.277 3.703 1.00 0.00 C ATOM 0 H LEU A 21 3.844 0.239 0.378 1.00 0.00 H new ATOM 0 HA LEU A 21 6.441 0.801 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.647 -1.614 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.963 -1.098 2.890 1.00 0.00 H new ATOM 0 HG LEU A 21 3.426 0.483 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.840 -0.168 4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.992 -1.585 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.297 -1.186 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.186 1.855 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.695 0.914 4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.335 1.910 2.928 1.00 0.00 H new ATOM 380 N ASP A 22 6.016 -1.944 -0.376 1.00 0.00 N ATOM 381 CA ASP A 22 6.707 -2.996 -1.122 1.00 0.00 C ATOM 382 C ASP A 22 7.536 -2.419 -2.265 1.00 0.00 C ATOM 383 O ASP A 22 8.673 -2.834 -2.489 1.00 0.00 O ATOM 384 CB ASP A 22 5.707 -4.012 -1.674 1.00 0.00 C ATOM 385 CG ASP A 22 6.371 -5.062 -2.542 1.00 0.00 C ATOM 386 OD1 ASP A 22 7.020 -5.981 -1.993 1.00 0.00 O ATOM 387 OD2 ASP A 22 6.252 -4.972 -3.780 1.00 0.00 O ATOM 0 H ASP A 22 4.999 -2.017 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 22 7.381 -3.497 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.194 -4.500 -0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.947 -3.491 -2.256 1.00 0.00 H new ATOM 392 N PHE A 23 6.963 -1.457 -2.976 1.00 0.00 N ATOM 393 CA PHE A 23 7.647 -0.805 -4.087 1.00 0.00 C ATOM 394 C PHE A 23 8.907 -0.098 -3.598 1.00 0.00 C ATOM 395 O PHE A 23 9.895 0.022 -4.323 1.00 0.00 O ATOM 396 CB PHE A 23 6.706 0.199 -4.761 1.00 0.00 C ATOM 397 CG PHE A 23 7.282 0.864 -5.981 1.00 0.00 C ATOM 398 CD1 PHE A 23 7.321 0.198 -7.196 1.00 0.00 C ATOM 399 CD2 PHE A 23 7.783 2.154 -5.913 1.00 0.00 C ATOM 400 CE1 PHE A 23 7.849 0.806 -8.318 1.00 0.00 C ATOM 401 CE2 PHE A 23 8.312 2.767 -7.032 1.00 0.00 C ATOM 402 CZ PHE A 23 8.345 2.092 -8.236 1.00 0.00 C ATOM 0 H PHE A 23 6.020 -1.109 -2.802 1.00 0.00 H new ATOM 0 HA PHE A 23 7.938 -1.564 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.786 -0.314 -5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.434 0.967 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.934 -0.808 -7.266 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.760 2.687 -4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.874 0.276 -9.259 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.699 3.773 -6.965 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.758 2.569 -9.112 1.00 0.00 H new ATOM 412 N CYS A 24 8.865 0.341 -2.351 1.00 0.00 N ATOM 413 CA CYS A 24 9.958 1.096 -1.763 1.00 0.00 C ATOM 414 C CYS A 24 10.686 0.284 -0.696 1.00 0.00 C ATOM 415 O CYS A 24 11.028 0.803 0.364 1.00 0.00 O ATOM 416 CB CYS A 24 9.413 2.374 -1.141 1.00 0.00 C ATOM 417 SG CYS A 24 8.476 3.413 -2.287 1.00 0.00 S ATOM 0 H CYS A 24 8.078 0.185 -1.722 1.00 0.00 H new ATOM 0 HA CYS A 24 10.670 1.335 -2.553 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.772 2.111 -0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.245 2.953 -0.740 1.00 0.00 H new ATOM 0 HG CYS A 24 7.207 3.156 -2.168 1.00 0.00 H new ATOM 423 N THR A 25 10.915 -0.986 -0.968 1.00 0.00 N ATOM 424 CA THR A 25 11.636 -1.831 -0.027 1.00 0.00 C ATOM 425 C THR A 25 13.128 -1.880 -0.354 1.00 0.00 C ATOM 426 O THR A 25 13.885 -0.980 0.019 1.00 0.00 O ATOM 427 CB THR A 25 11.063 -3.265 0.038 1.00 0.00 C ATOM 428 OG1 THR A 25 10.830 -3.777 -1.282 1.00 0.00 O ATOM 429 CG2 THR A 25 9.769 -3.298 0.835 1.00 0.00 C ATOM 0 H THR A 25 10.617 -1.455 -1.823 1.00 0.00 H new ATOM 0 HA THR A 25 11.504 -1.376 0.955 1.00 0.00 H new ATOM 0 HB THR A 25 11.799 -3.894 0.539 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.927 -3.531 -1.574 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.386 -4.318 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.958 -2.951 1.851 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.033 -2.649 0.361 1.00 0.00 H new ATOM 437 N GLY A 26 13.537 -2.901 -1.092 1.00 0.00 N ATOM 438 CA GLY A 26 14.946 -3.109 -1.360 1.00 0.00 C ATOM 439 C GLY A 26 15.484 -2.193 -2.438 1.00 0.00 C ATOM 440 O GLY A 26 16.681 -1.906 -2.474 1.00 0.00 O ATOM 0 H GLY A 26 12.916 -3.592 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.512 -2.952 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.104 -4.145 -1.659 1.00 0.00 H new ATOM 444 N GLU A 27 14.611 -1.736 -3.323 1.00 0.00 N ATOM 445 CA GLU A 27 15.023 -0.853 -4.408 1.00 0.00 C ATOM 446 C GLU A 27 15.138 0.587 -3.922 1.00 0.00 C ATOM 447 O GLU A 27 15.787 1.423 -4.555 1.00 0.00 O ATOM 448 CB GLU A 27 14.044 -0.947 -5.579 1.00 0.00 C ATOM 449 CG GLU A 27 14.002 -2.326 -6.218 1.00 0.00 C ATOM 450 CD GLU A 27 13.088 -2.386 -7.422 1.00 0.00 C ATOM 451 OE1 GLU A 27 13.489 -1.909 -8.506 1.00 0.00 O ATOM 452 OE2 GLU A 27 11.964 -2.915 -7.297 1.00 0.00 O ATOM 0 H GLU A 27 13.616 -1.960 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 27 16.006 -1.175 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.045 -0.685 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.321 -0.212 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.010 -2.613 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.670 -3.054 -5.478 1.00 0.00 H new ATOM 459 N ASP A 28 14.507 0.872 -2.794 1.00 0.00 N ATOM 460 CA ASP A 28 14.597 2.193 -2.188 1.00 0.00 C ATOM 461 C ASP A 28 15.728 2.232 -1.174 1.00 0.00 C ATOM 462 O ASP A 28 16.542 3.156 -1.173 1.00 0.00 O ATOM 463 CB ASP A 28 13.278 2.582 -1.515 1.00 0.00 C ATOM 464 CG ASP A 28 13.370 3.909 -0.784 1.00 0.00 C ATOM 465 OD1 ASP A 28 13.177 4.964 -1.424 1.00 0.00 O ATOM 466 OD2 ASP A 28 13.642 3.903 0.436 1.00 0.00 O ATOM 0 H ASP A 28 13.928 0.208 -2.280 1.00 0.00 H new ATOM 0 HA ASP A 28 14.802 2.913 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.492 2.639 -2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.989 1.802 -0.811 1.00 0.00 H new ATOM 471 N SER A 29 15.777 1.222 -0.316 1.00 0.00 N ATOM 472 CA SER A 29 16.817 1.126 0.695 1.00 0.00 C ATOM 473 C SER A 29 18.174 0.859 0.050 1.00 0.00 C ATOM 474 O SER A 29 18.253 0.274 -1.031 1.00 0.00 O ATOM 475 CB SER A 29 16.478 0.016 1.687 1.00 0.00 C ATOM 476 OG SER A 29 15.194 0.218 2.253 1.00 0.00 O ATOM 0 H SER A 29 15.105 0.455 -0.302 1.00 0.00 H new ATOM 0 HA SER A 29 16.872 2.076 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.510 -0.950 1.183 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.228 -0.012 2.478 1.00 0.00 H new ATOM 0 HG SER A 29 14.509 -0.128 1.643 1.00 0.00 H new ATOM 482 N VAL A 30 19.234 1.288 0.714 1.00 0.00 N ATOM 483 CA VAL A 30 20.579 1.119 0.194 1.00 0.00 C ATOM 484 C VAL A 30 21.344 0.102 1.050 1.00 0.00 C ATOM 485 O VAL A 30 22.269 0.424 1.801 1.00 0.00 O ATOM 486 CB VAL A 30 21.322 2.481 0.097 1.00 0.00 C ATOM 487 CG1 VAL A 30 21.413 3.176 1.449 1.00 0.00 C ATOM 488 CG2 VAL A 30 22.699 2.307 -0.526 1.00 0.00 C ATOM 0 H VAL A 30 19.188 1.758 1.618 1.00 0.00 H new ATOM 0 HA VAL A 30 20.519 0.727 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 30 20.734 3.126 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 30 21.939 4.124 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 30 20.409 3.362 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 30 21.956 2.541 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 30 23.198 3.275 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 30 23.292 1.628 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 30 22.595 1.894 -1.529 1.00 0.00 H new ATOM 498 N ASP A 31 20.908 -1.140 0.946 1.00 0.00 N ATOM 499 CA ASP A 31 21.510 -2.235 1.693 1.00 0.00 C ATOM 500 C ASP A 31 22.784 -2.707 1.009 1.00 0.00 C ATOM 501 O ASP A 31 23.010 -2.422 -0.169 1.00 0.00 O ATOM 502 CB ASP A 31 20.524 -3.397 1.815 1.00 0.00 C ATOM 503 CG ASP A 31 19.267 -3.014 2.569 1.00 0.00 C ATOM 504 OD1 ASP A 31 19.313 -2.966 3.818 1.00 0.00 O ATOM 505 OD2 ASP A 31 18.232 -2.751 1.917 1.00 0.00 O ATOM 0 H ASP A 31 20.132 -1.420 0.346 1.00 0.00 H new ATOM 0 HA ASP A 31 21.760 -1.875 2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.254 -3.746 0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 31 21.010 -4.230 2.324 1.00 0.00 H new ATOM 510 N GLY A 32 23.610 -3.435 1.749 1.00 0.00 N ATOM 511 CA GLY A 32 24.885 -3.888 1.230 1.00 0.00 C ATOM 512 C GLY A 32 24.760 -5.112 0.345 1.00 0.00 C ATOM 513 O GLY A 32 25.338 -6.159 0.635 1.00 0.00 O ATOM 0 H GLY A 32 23.417 -3.722 2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 32 25.348 -3.081 0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 32 25.551 -4.114 2.063 1.00 0.00 H new ATOM 517 N LYS A 33 24.006 -4.977 -0.738 1.00 0.00 N ATOM 518 CA LYS A 33 23.848 -6.057 -1.702 1.00 0.00 C ATOM 519 C LYS A 33 25.106 -6.206 -2.546 1.00 0.00 C ATOM 520 O LYS A 33 25.457 -7.305 -2.971 1.00 0.00 O ATOM 521 CB LYS A 33 22.646 -5.797 -2.609 1.00 0.00 C ATOM 522 CG LYS A 33 21.314 -5.799 -1.878 1.00 0.00 C ATOM 523 CD LYS A 33 20.141 -5.526 -2.817 1.00 0.00 C ATOM 524 CE LYS A 33 19.778 -6.735 -3.679 1.00 0.00 C ATOM 525 NZ LYS A 33 20.754 -6.980 -4.777 1.00 0.00 N ATOM 0 H LYS A 33 23.493 -4.127 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 33 23.679 -6.982 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.777 -4.834 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.622 -6.556 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.170 -6.763 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.332 -5.044 -1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.272 -5.231 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.388 -4.685 -3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.721 -7.621 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.787 -6.584 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.244 -7.257 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.297 -6.112 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.404 -7.743 -4.500 1.00 0.00 H new ATOM 539 N LYS A 34 25.791 -5.089 -2.775 1.00 0.00 N ATOM 540 CA LYS A 34 27.032 -5.090 -3.537 1.00 0.00 C ATOM 541 C LYS A 34 28.202 -5.481 -2.641 1.00 0.00 C ATOM 542 O LYS A 34 29.350 -5.549 -3.083 1.00 0.00 O ATOM 543 CB LYS A 34 27.281 -3.715 -4.161 1.00 0.00 C ATOM 544 CG LYS A 34 26.178 -3.265 -5.107 1.00 0.00 C ATOM 545 CD LYS A 34 26.420 -1.858 -5.630 1.00 0.00 C ATOM 546 CE LYS A 34 27.671 -1.784 -6.492 1.00 0.00 C ATOM 547 NZ LYS A 34 27.896 -0.415 -7.022 1.00 0.00 N ATOM 0 H LYS A 34 25.504 -4.169 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 34 26.943 -5.823 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.388 -2.978 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 34 28.226 -3.738 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 34 26.114 -3.958 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 34 25.219 -3.300 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 34 25.558 -1.533 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 34 26.516 -1.169 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.536 -2.093 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 34 27.582 -2.485 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 28.758 -0.405 -7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 27.082 -0.130 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 28.006 0.250 -6.230 1.00 0.00 H new ATOM 561 N ARG A 35 27.898 -5.725 -1.377 1.00 0.00 N ATOM 562 CA ARG A 35 28.891 -6.168 -0.418 1.00 0.00 C ATOM 563 C ARG A 35 29.032 -7.679 -0.508 1.00 0.00 C ATOM 564 O ARG A 35 28.056 -8.377 -0.782 1.00 0.00 O ATOM 565 CB ARG A 35 28.470 -5.756 0.993 1.00 0.00 C ATOM 566 CG ARG A 35 29.514 -6.029 2.062 1.00 0.00 C ATOM 567 CD ARG A 35 29.025 -5.584 3.429 1.00 0.00 C ATOM 568 NE ARG A 35 28.649 -4.172 3.441 1.00 0.00 N ATOM 569 CZ ARG A 35 27.898 -3.611 4.388 1.00 0.00 C ATOM 570 NH1 ARG A 35 27.474 -4.333 5.420 1.00 0.00 N ATOM 571 NH2 ARG A 35 27.579 -2.327 4.306 1.00 0.00 N ATOM 0 H ARG A 35 26.960 -5.622 -0.990 1.00 0.00 H new ATOM 0 HA ARG A 35 29.852 -5.704 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 35 28.236 -4.691 0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 35 27.553 -6.284 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 35 29.747 -7.094 2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 35 30.438 -5.506 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 35 28.168 -6.190 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 35 29.807 -5.758 4.168 1.00 0.00 H new ATOM 0 HE ARG A 35 28.981 -3.581 2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 35 27.723 -5.320 5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 35 26.899 -3.900 6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 35 27.908 -1.769 3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 35 27.004 -1.897 5.031 1.00 0.00 H new ATOM 585 N GLN A 36 30.233 -8.184 -0.299 1.00 0.00 N ATOM 586 CA GLN A 36 30.472 -9.613 -0.379 1.00 0.00 C ATOM 587 C GLN A 36 30.392 -10.244 1.006 1.00 0.00 C ATOM 588 O GLN A 36 29.265 -10.435 1.506 1.00 0.00 O ATOM 589 CB GLN A 36 31.833 -9.890 -1.026 1.00 0.00 C ATOM 590 CG GLN A 36 31.899 -9.499 -2.495 1.00 0.00 C ATOM 591 CD GLN A 36 30.895 -10.260 -3.342 1.00 0.00 C ATOM 592 OE1 GLN A 36 30.539 -11.399 -3.032 1.00 0.00 O ATOM 593 NE2 GLN A 36 30.437 -9.645 -4.418 1.00 0.00 N ATOM 594 OXT GLN A 36 31.451 -10.543 1.594 1.00 0.00 O ATOM 0 H GLN A 36 31.057 -7.627 -0.073 1.00 0.00 H new ATOM 0 HA GLN A 36 29.699 -10.062 -1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 36 32.603 -9.347 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 36 32.062 -10.951 -0.930 1.00 0.00 H new ATOM 0 HG2 GLN A 36 31.715 -8.429 -2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 36 32.904 -9.685 -2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 36 30.756 -8.702 -4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 36 29.765 -10.113 -5.026 1.00 0.00 H new TER 603 GLN A 36