USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 503 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 Set 1.1: A 45 GLN : amide:sc= -1.08 X(o=-1.9,f=-1.6) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.777 K(o=-1.9,f=-2.6!) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0599 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0895 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 32:sc= 0.144 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc=9.44e-05 K(o=9.4e-05,f=-0.75) USER MOD Single : A 15 ASN : amide:sc= -0.924 K(o=-0.92,f=-1.7) USER MOD Single : A 21 GLN : amide:sc=-0.00726 K(o=-0.0073,f=-1.9!) USER MOD Single : A 22 SER OG : rot 54:sc= 1.21 USER MOD Single : A 23 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -5.62! C(o=-5.6!,f=-16!) USER MOD Single : A 34 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.7) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.461 21.693 29.690 1.00 0.00 N ATOM 2 CA GLY A 1 37.444 22.461 28.456 1.00 0.00 C ATOM 3 C GLY A 1 38.200 21.729 27.345 1.00 0.00 C ATOM 4 O GLY A 1 39.073 20.908 27.620 1.00 0.00 O ATOM 0 H1 GLY A 1 36.504 21.341 29.893 1.00 0.00 H new ATOM 0 H2 GLY A 1 38.111 20.888 29.589 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.780 22.300 30.472 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.414 22.635 28.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 37.896 23.438 28.625 1.00 0.00 H new ATOM 8 N SER A 2 37.836 22.055 26.113 1.00 0.00 N ATOM 9 CA SER A 2 38.469 21.439 24.959 1.00 0.00 C ATOM 10 C SER A 2 38.688 22.483 23.863 1.00 0.00 C ATOM 11 O SER A 2 38.168 23.595 23.947 1.00 0.00 O ATOM 12 CB SER A 2 37.629 20.277 24.425 1.00 0.00 C ATOM 13 OG SER A 2 38.319 19.536 23.422 1.00 0.00 O ATOM 0 H SER A 2 37.111 22.737 25.889 1.00 0.00 H new ATOM 0 HA SER A 2 39.435 21.041 25.271 1.00 0.00 H new ATOM 0 HB2 SER A 2 37.364 19.613 25.248 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.696 20.663 24.013 1.00 0.00 H new ATOM 0 HG SER A 2 37.750 18.802 23.108 1.00 0.00 H new ATOM 19 N SER A 3 39.457 22.089 22.859 1.00 0.00 N ATOM 20 CA SER A 3 39.751 22.977 21.747 1.00 0.00 C ATOM 21 C SER A 3 38.934 22.567 20.520 1.00 0.00 C ATOM 22 O SER A 3 39.405 22.682 19.390 1.00 0.00 O ATOM 23 CB SER A 3 41.245 22.970 21.416 1.00 0.00 C ATOM 24 OG SER A 3 41.669 24.201 20.838 1.00 0.00 O ATOM 0 H SER A 3 39.886 21.166 22.792 1.00 0.00 H new ATOM 0 HA SER A 3 39.476 23.991 22.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 41.817 22.780 22.324 1.00 0.00 H new ATOM 0 HB3 SER A 3 41.460 22.153 20.727 1.00 0.00 H new ATOM 0 HG SER A 3 42.628 24.157 20.643 1.00 0.00 H new ATOM 30 N GLY A 4 37.723 22.099 20.785 1.00 0.00 N ATOM 31 CA GLY A 4 36.836 21.672 19.716 1.00 0.00 C ATOM 32 C GLY A 4 37.362 20.403 19.041 1.00 0.00 C ATOM 33 O GLY A 4 38.543 20.078 19.156 1.00 0.00 O ATOM 0 H GLY A 4 37.335 22.006 21.724 1.00 0.00 H new ATOM 0 HA2 GLY A 4 35.839 21.488 20.117 1.00 0.00 H new ATOM 0 HA3 GLY A 4 36.741 22.468 18.978 1.00 0.00 H new ATOM 37 N SER A 5 36.460 19.721 18.351 1.00 0.00 N ATOM 38 CA SER A 5 36.818 18.496 17.657 1.00 0.00 C ATOM 39 C SER A 5 37.501 18.827 16.328 1.00 0.00 C ATOM 40 O SER A 5 37.400 19.950 15.838 1.00 0.00 O ATOM 41 CB SER A 5 35.588 17.619 17.417 1.00 0.00 C ATOM 42 OG SER A 5 34.828 18.060 16.295 1.00 0.00 O ATOM 0 H SER A 5 35.482 19.994 18.258 1.00 0.00 H new ATOM 0 HA SER A 5 37.512 17.938 18.286 1.00 0.00 H new ATOM 0 HB2 SER A 5 35.904 16.588 17.258 1.00 0.00 H new ATOM 0 HB3 SER A 5 34.958 17.626 18.307 1.00 0.00 H new ATOM 0 HG SER A 5 34.052 17.473 16.174 1.00 0.00 H new ATOM 48 N SER A 6 38.181 17.829 15.784 1.00 0.00 N ATOM 49 CA SER A 6 38.881 18.000 14.522 1.00 0.00 C ATOM 50 C SER A 6 37.876 18.265 13.399 1.00 0.00 C ATOM 51 O SER A 6 36.999 17.444 13.139 1.00 0.00 O ATOM 52 CB SER A 6 39.732 16.772 14.193 1.00 0.00 C ATOM 53 OG SER A 6 38.977 15.565 14.262 1.00 0.00 O ATOM 0 H SER A 6 38.262 16.899 16.194 1.00 0.00 H new ATOM 0 HA SER A 6 39.549 18.857 14.614 1.00 0.00 H new ATOM 0 HB2 SER A 6 40.153 16.880 13.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 40.570 16.715 14.887 1.00 0.00 H new ATOM 0 HG SER A 6 38.048 15.745 14.005 1.00 0.00 H new ATOM 59 N GLY A 7 38.038 19.417 12.764 1.00 0.00 N ATOM 60 CA GLY A 7 37.156 19.801 11.675 1.00 0.00 C ATOM 61 C GLY A 7 36.023 20.699 12.177 1.00 0.00 C ATOM 62 O GLY A 7 35.600 20.586 13.326 1.00 0.00 O ATOM 0 H GLY A 7 38.767 20.096 12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 7 37.726 20.324 10.908 1.00 0.00 H new ATOM 0 HA3 GLY A 7 36.738 18.909 11.209 1.00 0.00 H new ATOM 66 N SER A 8 35.565 21.570 11.290 1.00 0.00 N ATOM 67 CA SER A 8 34.489 22.486 11.629 1.00 0.00 C ATOM 68 C SER A 8 33.551 22.658 10.432 1.00 0.00 C ATOM 69 O SER A 8 34.003 22.736 9.291 1.00 0.00 O ATOM 70 CB SER A 8 35.040 23.844 12.070 1.00 0.00 C ATOM 71 OG SER A 8 35.621 24.562 10.985 1.00 0.00 O ATOM 0 H SER A 8 35.919 21.661 10.338 1.00 0.00 H new ATOM 0 HA SER A 8 33.930 22.062 12.463 1.00 0.00 H new ATOM 0 HB2 SER A 8 34.237 24.436 12.508 1.00 0.00 H new ATOM 0 HB3 SER A 8 35.788 23.696 12.849 1.00 0.00 H new ATOM 0 HG SER A 8 35.959 25.424 11.307 1.00 0.00 H new ATOM 77 N ARG A 9 32.262 22.711 10.734 1.00 0.00 N ATOM 78 CA ARG A 9 31.257 22.872 9.698 1.00 0.00 C ATOM 79 C ARG A 9 29.854 22.810 10.305 1.00 0.00 C ATOM 80 O ARG A 9 29.658 22.218 11.366 1.00 0.00 O ATOM 81 CB ARG A 9 31.391 21.787 8.627 1.00 0.00 C ATOM 82 CG ARG A 9 31.292 20.391 9.246 1.00 0.00 C ATOM 83 CD ARG A 9 30.305 19.516 8.472 1.00 0.00 C ATOM 84 NE ARG A 9 30.401 18.114 8.933 1.00 0.00 N ATOM 85 CZ ARG A 9 31.393 17.278 8.596 1.00 0.00 C ATOM 86 NH1 ARG A 9 32.379 17.699 7.793 1.00 0.00 N ATOM 87 NH2 ARG A 9 31.398 16.022 9.063 1.00 0.00 N ATOM 0 H ARG A 9 31.891 22.645 11.682 1.00 0.00 H new ATOM 0 HA ARG A 9 31.413 23.846 9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 9 30.610 21.913 7.877 1.00 0.00 H new ATOM 0 HB3 ARG A 9 32.346 21.894 8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 9 32.275 19.920 9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 9 30.974 20.472 10.285 1.00 0.00 H new ATOM 0 HD2 ARG A 9 29.290 19.885 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 9 30.517 19.572 7.404 1.00 0.00 H new ATOM 0 HE ARG A 9 29.666 17.761 9.546 1.00 0.00 H new ATOM 0 HH11 ARG A 9 32.375 18.655 7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 9 33.134 17.063 7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 9 30.647 15.702 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 9 32.153 15.386 8.807 1.00 0.00 H new ATOM 101 N GLN A 10 28.913 23.427 9.606 1.00 0.00 N ATOM 102 CA GLN A 10 27.534 23.449 10.063 1.00 0.00 C ATOM 103 C GLN A 10 27.071 22.036 10.421 1.00 0.00 C ATOM 104 O GLN A 10 27.829 21.077 10.284 1.00 0.00 O ATOM 105 CB GLN A 10 26.618 24.076 9.010 1.00 0.00 C ATOM 106 CG GLN A 10 26.717 25.602 9.034 1.00 0.00 C ATOM 107 CD GLN A 10 27.468 26.123 7.807 1.00 0.00 C ATOM 108 OE1 GLN A 10 28.678 26.015 7.697 1.00 0.00 O ATOM 109 NE2 GLN A 10 26.685 26.692 6.895 1.00 0.00 N ATOM 0 H GLN A 10 29.078 23.916 8.726 1.00 0.00 H new ATOM 0 HA GLN A 10 27.478 24.066 10.960 1.00 0.00 H new ATOM 0 HB2 GLN A 10 26.889 23.706 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 10 25.587 23.772 9.193 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.717 26.034 9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 10 27.229 25.922 9.941 1.00 0.00 H new ATOM 0 HE21 GLN A 10 25.679 26.749 7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 10 27.091 27.071 6.040 1.00 0.00 H new ATOM 118 N ALA A 11 25.829 21.952 10.874 1.00 0.00 N ATOM 119 CA ALA A 11 25.256 20.672 11.254 1.00 0.00 C ATOM 120 C ALA A 11 24.821 19.919 9.995 1.00 0.00 C ATOM 121 O ALA A 11 24.381 20.530 9.022 1.00 0.00 O ATOM 122 CB ALA A 11 24.097 20.899 12.226 1.00 0.00 C ATOM 0 H ALA A 11 25.203 22.750 10.986 1.00 0.00 H new ATOM 0 HA ALA A 11 25.996 20.058 11.767 1.00 0.00 H new ATOM 0 HB1 ALA A 11 23.667 19.939 12.511 1.00 0.00 H new ATOM 0 HB2 ALA A 11 24.463 21.411 13.116 1.00 0.00 H new ATOM 0 HB3 ALA A 11 23.333 21.510 11.745 1.00 0.00 H new ATOM 128 N PRO A 12 24.964 18.568 10.055 1.00 0.00 N ATOM 129 CA PRO A 12 24.592 17.725 8.931 1.00 0.00 C ATOM 130 C PRO A 12 23.071 17.594 8.825 1.00 0.00 C ATOM 131 O PRO A 12 22.385 17.442 9.834 1.00 0.00 O ATOM 132 CB PRO A 12 25.285 16.397 9.188 1.00 0.00 C ATOM 133 CG PRO A 12 25.638 16.390 10.667 1.00 0.00 C ATOM 134 CD PRO A 12 25.482 17.809 11.190 1.00 0.00 C ATOM 0 HA PRO A 12 24.902 18.141 7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.632 15.561 8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 12 26.179 16.298 8.573 1.00 0.00 H new ATOM 0 HG2 PRO A 12 24.985 15.708 11.212 1.00 0.00 H new ATOM 0 HG3 PRO A 12 26.659 16.039 10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 12 24.797 17.846 12.037 1.00 0.00 H new ATOM 0 HD3 PRO A 12 26.435 18.211 11.534 1.00 0.00 H new ATOM 142 N ILE A 13 22.589 17.657 7.592 1.00 0.00 N ATOM 143 CA ILE A 13 21.162 17.548 7.340 1.00 0.00 C ATOM 144 C ILE A 13 20.897 16.332 6.451 1.00 0.00 C ATOM 145 O ILE A 13 21.611 16.104 5.475 1.00 0.00 O ATOM 146 CB ILE A 13 20.617 18.858 6.769 1.00 0.00 C ATOM 147 CG1 ILE A 13 21.156 19.108 5.359 1.00 0.00 C ATOM 148 CG2 ILE A 13 20.907 20.030 7.710 1.00 0.00 C ATOM 149 CD1 ILE A 13 20.174 18.606 4.299 1.00 0.00 C ATOM 0 H ILE A 13 23.161 17.782 6.757 1.00 0.00 H new ATOM 0 HA ILE A 13 20.622 17.385 8.273 1.00 0.00 H new ATOM 0 HB ILE A 13 19.533 18.771 6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 13 21.335 20.174 5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 13 22.115 18.605 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 13 20.509 20.949 7.280 1.00 0.00 H new ATOM 0 HG22 ILE A 13 20.435 19.847 8.675 1.00 0.00 H new ATOM 0 HG23 ILE A 13 21.984 20.130 7.846 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.582 18.796 3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 13 20.016 17.535 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.224 19.129 4.407 1.00 0.00 H new ATOM 161 N ALA A 14 19.869 15.582 6.819 1.00 0.00 N ATOM 162 CA ALA A 14 19.501 14.395 6.066 1.00 0.00 C ATOM 163 C ALA A 14 20.647 13.384 6.124 1.00 0.00 C ATOM 164 O ALA A 14 21.804 13.738 5.904 1.00 0.00 O ATOM 165 CB ALA A 14 19.144 14.790 4.631 1.00 0.00 C ATOM 0 H ALA A 14 19.279 15.773 7.629 1.00 0.00 H new ATOM 0 HA ALA A 14 18.621 13.922 6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.868 13.899 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 14 18.305 15.486 4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 14 20.004 15.266 4.160 1.00 0.00 H new ATOM 171 N ASN A 15 20.286 12.144 6.423 1.00 0.00 N ATOM 172 CA ASN A 15 21.271 11.079 6.513 1.00 0.00 C ATOM 173 C ASN A 15 21.042 10.082 5.376 1.00 0.00 C ATOM 174 O ASN A 15 19.901 9.791 5.021 1.00 0.00 O ATOM 175 CB ASN A 15 21.144 10.324 7.838 1.00 0.00 C ATOM 176 CG ASN A 15 22.300 9.338 8.019 1.00 0.00 C ATOM 177 OD1 ASN A 15 22.435 8.360 7.301 1.00 0.00 O ATOM 178 ND2 ASN A 15 23.124 9.647 9.016 1.00 0.00 N ATOM 0 H ASN A 15 19.326 11.853 6.606 1.00 0.00 H new ATOM 0 HA ASN A 15 22.262 11.528 6.447 1.00 0.00 H new ATOM 0 HB2 ASN A 15 21.133 11.033 8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 15 20.196 9.787 7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 15 23.926 9.051 9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 15 22.954 10.480 9.579 1.00 0.00 H new ATOM 185 N ALA A 16 22.145 9.584 4.837 1.00 0.00 N ATOM 186 CA ALA A 16 22.079 8.625 3.748 1.00 0.00 C ATOM 187 C ALA A 16 21.373 7.358 4.232 1.00 0.00 C ATOM 188 O ALA A 16 21.655 6.863 5.322 1.00 0.00 O ATOM 189 CB ALA A 16 23.491 8.344 3.229 1.00 0.00 C ATOM 0 H ALA A 16 23.090 9.827 5.134 1.00 0.00 H new ATOM 0 HA ALA A 16 21.500 9.027 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 16 23.442 7.624 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.938 9.271 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.101 7.936 4.035 1.00 0.00 H new ATOM 195 N ALA A 17 20.468 6.867 3.397 1.00 0.00 N ATOM 196 CA ALA A 17 19.719 5.667 3.727 1.00 0.00 C ATOM 197 C ALA A 17 20.528 4.436 3.311 1.00 0.00 C ATOM 198 O ALA A 17 21.117 4.412 2.232 1.00 0.00 O ATOM 199 CB ALA A 17 18.348 5.719 3.050 1.00 0.00 C ATOM 0 H ALA A 17 20.237 7.279 2.493 1.00 0.00 H new ATOM 0 HA ALA A 17 19.550 5.603 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.786 4.819 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 17 17.802 6.595 3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 17 18.478 5.780 1.969 1.00 0.00 H new ATOM 205 N VAL A 18 20.530 3.445 4.190 1.00 0.00 N ATOM 206 CA VAL A 18 21.257 2.214 3.928 1.00 0.00 C ATOM 207 C VAL A 18 20.651 1.082 4.761 1.00 0.00 C ATOM 208 O VAL A 18 20.705 1.114 5.989 1.00 0.00 O ATOM 209 CB VAL A 18 22.749 2.421 4.195 1.00 0.00 C ATOM 210 CG1 VAL A 18 23.514 1.101 4.081 1.00 0.00 C ATOM 211 CG2 VAL A 18 23.333 3.476 3.254 1.00 0.00 C ATOM 0 H VAL A 18 20.040 3.469 5.084 1.00 0.00 H new ATOM 0 HA VAL A 18 21.165 1.931 2.879 1.00 0.00 H new ATOM 0 HB VAL A 18 22.859 2.785 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 18 24.572 1.276 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 18 23.124 0.390 4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.392 0.695 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.395 3.604 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 18 23.205 3.153 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 18 22.816 4.424 3.405 1.00 0.00 H new ATOM 221 N LEU A 19 20.090 0.109 4.059 1.00 0.00 N ATOM 222 CA LEU A 19 19.475 -1.030 4.718 1.00 0.00 C ATOM 223 C LEU A 19 20.102 -2.321 4.187 1.00 0.00 C ATOM 224 O LEU A 19 20.482 -2.395 3.019 1.00 0.00 O ATOM 225 CB LEU A 19 17.953 -0.979 4.569 1.00 0.00 C ATOM 226 CG LEU A 19 17.394 -1.459 3.228 1.00 0.00 C ATOM 227 CD1 LEU A 19 15.916 -1.836 3.353 1.00 0.00 C ATOM 228 CD2 LEU A 19 17.630 -0.419 2.132 1.00 0.00 C ATOM 0 H LEU A 19 20.048 0.086 3.040 1.00 0.00 H new ATOM 0 HA LEU A 19 19.668 -0.999 5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 19 17.510 -1.582 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 19 17.626 0.048 4.729 1.00 0.00 H new ATOM 0 HG LEU A 19 17.932 -2.361 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 19 15.544 -2.174 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 19 15.805 -2.637 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.345 -0.966 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 19 17.223 -0.785 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.135 0.514 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.700 -0.243 2.021 1.00 0.00 H new ATOM 240 N PRO A 20 20.193 -3.331 5.092 1.00 0.00 N ATOM 241 CA PRO A 20 20.767 -4.615 4.726 1.00 0.00 C ATOM 242 C PRO A 20 19.794 -5.426 3.868 1.00 0.00 C ATOM 243 O PRO A 20 18.601 -5.129 3.826 1.00 0.00 O ATOM 244 CB PRO A 20 21.097 -5.289 6.048 1.00 0.00 C ATOM 245 CG PRO A 20 20.275 -4.565 7.102 1.00 0.00 C ATOM 246 CD PRO A 20 19.753 -3.279 6.483 1.00 0.00 C ATOM 0 HA PRO A 20 21.661 -4.516 4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 20 20.847 -6.350 6.019 1.00 0.00 H new ATOM 0 HB3 PRO A 20 22.162 -5.218 6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 20 19.448 -5.191 7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 20 20.885 -4.347 7.978 1.00 0.00 H new ATOM 0 HD2 PRO A 20 18.667 -3.219 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.154 -2.403 6.993 1.00 0.00 H new ATOM 254 N GLN A 21 20.341 -6.434 3.203 1.00 0.00 N ATOM 255 CA GLN A 21 19.536 -7.290 2.348 1.00 0.00 C ATOM 256 C GLN A 21 18.404 -7.931 3.153 1.00 0.00 C ATOM 257 O GLN A 21 18.655 -8.712 4.069 1.00 0.00 O ATOM 258 CB GLN A 21 20.400 -8.356 1.671 1.00 0.00 C ATOM 259 CG GLN A 21 19.545 -9.290 0.813 1.00 0.00 C ATOM 260 CD GLN A 21 19.401 -8.749 -0.611 1.00 0.00 C ATOM 261 OE1 GLN A 21 19.069 -7.597 -0.834 1.00 0.00 O ATOM 262 NE2 GLN A 21 19.668 -9.643 -1.559 1.00 0.00 N ATOM 0 H GLN A 21 21.331 -6.677 3.239 1.00 0.00 H new ATOM 0 HA GLN A 21 19.094 -6.675 1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 21 21.156 -7.876 1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.930 -8.935 2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.999 -10.281 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.559 -9.403 1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 21 19.941 -10.592 -1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.600 -9.380 -2.542 1.00 0.00 H new ATOM 271 N SER A 22 17.183 -7.578 2.781 1.00 0.00 N ATOM 272 CA SER A 22 16.011 -8.110 3.457 1.00 0.00 C ATOM 273 C SER A 22 15.851 -9.596 3.134 1.00 0.00 C ATOM 274 O SER A 22 15.181 -9.956 2.167 1.00 0.00 O ATOM 275 CB SER A 22 14.750 -7.341 3.060 1.00 0.00 C ATOM 276 OG SER A 22 14.308 -7.681 1.748 1.00 0.00 O ATOM 0 H SER A 22 16.979 -6.930 2.020 1.00 0.00 H new ATOM 0 HA SER A 22 16.152 -7.992 4.531 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.956 -7.552 3.776 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.948 -6.270 3.110 1.00 0.00 H new ATOM 0 HG SER A 22 14.207 -8.653 1.679 1.00 0.00 H new ATOM 282 N GLN A 23 16.476 -10.420 3.963 1.00 0.00 N ATOM 283 CA GLN A 23 16.411 -11.860 3.777 1.00 0.00 C ATOM 284 C GLN A 23 16.746 -12.579 5.085 1.00 0.00 C ATOM 285 O GLN A 23 17.917 -12.743 5.424 1.00 0.00 O ATOM 286 CB GLN A 23 17.341 -12.310 2.649 1.00 0.00 C ATOM 287 CG GLN A 23 16.716 -13.453 1.846 1.00 0.00 C ATOM 288 CD GLN A 23 17.614 -14.691 1.865 1.00 0.00 C ATOM 289 OE1 GLN A 23 18.363 -14.933 2.797 1.00 0.00 O ATOM 290 NE2 GLN A 23 17.497 -15.460 0.786 1.00 0.00 N ATOM 0 H GLN A 23 17.030 -10.118 4.765 1.00 0.00 H new ATOM 0 HA GLN A 23 15.393 -12.125 3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.551 -11.469 1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.295 -12.633 3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.739 -13.702 2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.554 -13.133 0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.850 -15.199 0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.054 -16.311 0.703 1.00 0.00 H new ATOM 299 N GLY A 24 15.698 -12.989 5.784 1.00 0.00 N ATOM 300 CA GLY A 24 15.867 -13.687 7.047 1.00 0.00 C ATOM 301 C GLY A 24 15.175 -12.935 8.186 1.00 0.00 C ATOM 302 O GLY A 24 14.207 -13.428 8.763 1.00 0.00 O ATOM 0 H GLY A 24 14.728 -12.851 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.456 -14.693 6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.929 -13.793 7.269 1.00 0.00 H new ATOM 306 N ARG A 25 15.698 -11.752 8.476 1.00 0.00 N ATOM 307 CA ARG A 25 15.143 -10.927 9.535 1.00 0.00 C ATOM 308 C ARG A 25 13.619 -10.867 9.417 1.00 0.00 C ATOM 309 O ARG A 25 13.068 -11.063 8.335 1.00 0.00 O ATOM 310 CB ARG A 25 15.709 -9.507 9.480 1.00 0.00 C ATOM 311 CG ARG A 25 16.403 -9.142 10.794 1.00 0.00 C ATOM 312 CD ARG A 25 15.976 -7.753 11.273 1.00 0.00 C ATOM 313 NE ARG A 25 17.097 -6.799 11.124 1.00 0.00 N ATOM 314 CZ ARG A 25 18.268 -6.909 11.767 1.00 0.00 C ATOM 315 NH1 ARG A 25 18.477 -7.932 12.607 1.00 0.00 N ATOM 316 NH2 ARG A 25 19.229 -5.996 11.571 1.00 0.00 N ATOM 0 H ARG A 25 16.501 -11.346 7.995 1.00 0.00 H new ATOM 0 HA ARG A 25 15.419 -11.379 10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 25 16.417 -9.426 8.656 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.905 -8.799 9.280 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.161 -9.883 11.555 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.484 -9.167 10.657 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.116 -7.409 10.698 1.00 0.00 H new ATOM 0 HD3 ARG A 25 15.663 -7.799 12.316 1.00 0.00 H new ATOM 0 HE ARG A 25 16.971 -6.008 10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.745 -8.627 12.757 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.368 -8.016 13.096 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.070 -5.217 10.932 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.120 -6.080 12.061 1.00 0.00 H new ATOM 330 N VAL A 26 12.980 -10.595 10.546 1.00 0.00 N ATOM 331 CA VAL A 26 11.531 -10.506 10.583 1.00 0.00 C ATOM 332 C VAL A 26 11.070 -9.372 9.665 1.00 0.00 C ATOM 333 O VAL A 26 11.825 -8.438 9.399 1.00 0.00 O ATOM 334 CB VAL A 26 11.053 -10.339 12.027 1.00 0.00 C ATOM 335 CG1 VAL A 26 11.892 -9.292 12.763 1.00 0.00 C ATOM 336 CG2 VAL A 26 9.566 -9.982 12.075 1.00 0.00 C ATOM 0 H VAL A 26 13.440 -10.433 11.442 1.00 0.00 H new ATOM 0 HA VAL A 26 11.082 -11.427 10.211 1.00 0.00 H new ATOM 0 HB VAL A 26 11.184 -11.294 12.536 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.532 -9.192 13.787 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.936 -9.605 12.774 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.806 -8.333 12.253 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.252 -9.869 13.113 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.399 -9.046 11.542 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.986 -10.776 11.605 1.00 0.00 H new ATOM 346 N ALA A 27 9.832 -9.491 9.206 1.00 0.00 N ATOM 347 CA ALA A 27 9.262 -8.487 8.324 1.00 0.00 C ATOM 348 C ALA A 27 9.021 -7.199 9.113 1.00 0.00 C ATOM 349 O ALA A 27 9.672 -6.958 10.128 1.00 0.00 O ATOM 350 CB ALA A 27 7.979 -9.033 7.692 1.00 0.00 C ATOM 0 H ALA A 27 9.209 -10.267 9.428 1.00 0.00 H new ATOM 0 HA ALA A 27 9.951 -8.252 7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.551 -8.280 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.209 -9.931 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.262 -9.277 8.476 1.00 0.00 H new ATOM 356 N ALA A 28 8.084 -6.405 8.616 1.00 0.00 N ATOM 357 CA ALA A 28 7.749 -5.147 9.261 1.00 0.00 C ATOM 358 C ALA A 28 9.031 -4.351 9.514 1.00 0.00 C ATOM 359 O ALA A 28 9.548 -4.337 10.630 1.00 0.00 O ATOM 360 CB ALA A 28 6.972 -5.425 10.550 1.00 0.00 C ATOM 0 H ALA A 28 7.546 -6.609 7.774 1.00 0.00 H new ATOM 0 HA ALA A 28 7.108 -4.545 8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.721 -4.481 11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.056 -5.967 10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.585 -6.025 11.222 1.00 0.00 H new ATOM 366 N SER A 29 9.507 -3.707 8.458 1.00 0.00 N ATOM 367 CA SER A 29 10.718 -2.910 8.551 1.00 0.00 C ATOM 368 C SER A 29 10.373 -1.422 8.472 1.00 0.00 C ATOM 369 O SER A 29 9.586 -1.007 7.623 1.00 0.00 O ATOM 370 CB SER A 29 11.709 -3.284 7.447 1.00 0.00 C ATOM 371 OG SER A 29 11.729 -4.688 7.200 1.00 0.00 O ATOM 0 H SER A 29 9.076 -3.721 7.534 1.00 0.00 H new ATOM 0 HA SER A 29 11.190 -3.116 9.512 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.445 -2.758 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.708 -2.951 7.729 1.00 0.00 H new ATOM 0 HG SER A 29 12.373 -4.886 6.488 1.00 0.00 H new ATOM 377 N GLU A 30 10.979 -0.658 9.370 1.00 0.00 N ATOM 378 CA GLU A 30 10.746 0.775 9.413 1.00 0.00 C ATOM 379 C GLU A 30 10.664 1.342 7.994 1.00 0.00 C ATOM 380 O GLU A 30 9.697 2.018 7.646 1.00 0.00 O ATOM 381 CB GLU A 30 11.832 1.484 10.225 1.00 0.00 C ATOM 382 CG GLU A 30 11.278 2.736 10.907 1.00 0.00 C ATOM 383 CD GLU A 30 12.297 3.876 10.872 1.00 0.00 C ATOM 384 OE1 GLU A 30 13.247 3.814 11.682 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.103 4.785 10.036 1.00 0.00 O ATOM 0 H GLU A 30 11.631 -1.005 10.073 1.00 0.00 H new ATOM 0 HA GLU A 30 9.793 0.953 9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.232 0.803 10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.660 1.758 9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.360 3.049 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.019 2.507 11.941 1.00 0.00 H new ATOM 392 N GLU A 31 11.693 1.047 7.213 1.00 0.00 N ATOM 393 CA GLU A 31 11.750 1.519 5.840 1.00 0.00 C ATOM 394 C GLU A 31 10.377 1.389 5.177 1.00 0.00 C ATOM 395 O GLU A 31 9.899 2.328 4.542 1.00 0.00 O ATOM 396 CB GLU A 31 12.817 0.764 5.044 1.00 0.00 C ATOM 397 CG GLU A 31 14.097 1.593 4.920 1.00 0.00 C ATOM 398 CD GLU A 31 14.215 2.215 3.527 1.00 0.00 C ATOM 399 OE1 GLU A 31 14.020 1.459 2.550 1.00 0.00 O ATOM 400 OE2 GLU A 31 14.497 3.431 3.470 1.00 0.00 O ATOM 0 H GLU A 31 12.494 0.487 7.505 1.00 0.00 H new ATOM 0 HA GLU A 31 12.029 2.573 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.039 -0.184 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.435 0.527 4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.100 2.379 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.964 0.961 5.115 1.00 0.00 H new ATOM 407 N GLN A 32 9.782 0.218 5.346 1.00 0.00 N ATOM 408 CA GLN A 32 8.474 -0.047 4.772 1.00 0.00 C ATOM 409 C GLN A 32 7.389 0.687 5.563 1.00 0.00 C ATOM 410 O GLN A 32 6.621 1.464 4.997 1.00 0.00 O ATOM 411 CB GLN A 32 8.192 -1.550 4.719 1.00 0.00 C ATOM 412 CG GLN A 32 9.423 -2.322 4.240 1.00 0.00 C ATOM 413 CD GLN A 32 10.053 -1.646 3.020 1.00 0.00 C ATOM 414 OE1 GLN A 32 10.427 -0.485 3.045 1.00 0.00 O ATOM 415 NE2 GLN A 32 10.149 -2.436 1.954 1.00 0.00 N ATOM 0 H GLN A 32 10.182 -0.559 5.873 1.00 0.00 H new ATOM 0 HA GLN A 32 8.466 0.327 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.898 -1.904 5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.354 -1.743 4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.155 -2.382 5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.141 -3.344 3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.816 -3.399 2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.556 -2.079 1.089 1.00 0.00 H new ATOM 424 N ILE A 33 7.359 0.414 6.859 1.00 0.00 N ATOM 425 CA ILE A 33 6.381 1.039 7.733 1.00 0.00 C ATOM 426 C ILE A 33 6.268 2.524 7.386 1.00 0.00 C ATOM 427 O ILE A 33 5.170 3.079 7.365 1.00 0.00 O ATOM 428 CB ILE A 33 6.727 0.775 9.200 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.462 -0.686 9.572 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.985 1.745 10.121 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.561 -1.226 10.490 1.00 0.00 C ATOM 0 H ILE A 33 7.996 -0.232 7.325 1.00 0.00 H new ATOM 0 HA ILE A 33 5.396 0.599 7.578 1.00 0.00 H new ATOM 0 HB ILE A 33 7.794 0.953 9.337 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.495 -0.769 10.068 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.409 -1.292 8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.249 1.536 11.158 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.267 2.769 9.874 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.910 1.623 9.988 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.349 -2.266 10.739 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.523 -1.164 9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.595 -0.633 11.404 1.00 0.00 H new ATOM 443 N GLN A 34 7.418 3.127 7.121 1.00 0.00 N ATOM 444 CA GLN A 34 7.461 4.537 6.776 1.00 0.00 C ATOM 445 C GLN A 34 6.956 4.750 5.348 1.00 0.00 C ATOM 446 O GLN A 34 6.227 5.704 5.079 1.00 0.00 O ATOM 447 CB GLN A 34 8.874 5.100 6.946 1.00 0.00 C ATOM 448 CG GLN A 34 9.340 4.981 8.399 1.00 0.00 C ATOM 449 CD GLN A 34 8.515 5.886 9.316 1.00 0.00 C ATOM 450 OE1 GLN A 34 7.813 6.782 8.878 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.638 5.602 10.609 1.00 0.00 N ATOM 0 H GLN A 34 8.327 2.664 7.138 1.00 0.00 H new ATOM 0 HA GLN A 34 6.804 5.078 7.458 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.564 4.564 6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.892 6.146 6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.252 3.946 8.729 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.394 5.250 8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.243 4.837 10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.127 6.149 11.302 1.00 0.00 H new ATOM 460 N LYS A 35 7.361 3.845 4.469 1.00 0.00 N ATOM 461 CA LYS A 35 6.958 3.921 3.075 1.00 0.00 C ATOM 462 C LYS A 35 5.437 3.792 2.981 1.00 0.00 C ATOM 463 O LYS A 35 4.828 4.263 2.021 1.00 0.00 O ATOM 464 CB LYS A 35 7.716 2.887 2.241 1.00 0.00 C ATOM 465 CG LYS A 35 8.784 3.557 1.374 1.00 0.00 C ATOM 466 CD LYS A 35 9.463 2.539 0.456 1.00 0.00 C ATOM 467 CE LYS A 35 8.591 2.232 -0.763 1.00 0.00 C ATOM 468 NZ LYS A 35 9.332 1.398 -1.734 1.00 0.00 N ATOM 0 H LYS A 35 7.965 3.055 4.696 1.00 0.00 H new ATOM 0 HA LYS A 35 7.223 4.891 2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.184 2.156 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.016 2.343 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.329 4.346 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.530 4.031 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.428 2.926 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.659 1.620 1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.685 1.715 -0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.279 3.162 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.725 1.199 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.184 1.905 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.608 0.503 -1.283 1.00 0.00 H new ATOM 482 N LEU A 36 4.866 3.152 3.990 1.00 0.00 N ATOM 483 CA LEU A 36 3.427 2.954 4.034 1.00 0.00 C ATOM 484 C LEU A 36 2.793 4.045 4.900 1.00 0.00 C ATOM 485 O LEU A 36 1.863 4.725 4.466 1.00 0.00 O ATOM 486 CB LEU A 36 3.094 1.533 4.493 1.00 0.00 C ATOM 487 CG LEU A 36 3.561 0.404 3.572 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.150 -0.961 4.127 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.058 0.618 2.143 1.00 0.00 C ATOM 0 H LEU A 36 5.374 2.763 4.784 1.00 0.00 H new ATOM 0 HA LEU A 36 2.999 3.049 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.535 1.378 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.013 1.455 4.612 1.00 0.00 H new ATOM 0 HG LEU A 36 4.650 0.422 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.494 -1.746 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.598 -1.104 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.064 -1.007 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.404 -0.199 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.968 0.642 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.443 1.563 1.760 1.00 0.00 H new ATOM 501 N VAL A 37 3.320 4.178 6.108 1.00 0.00 N ATOM 502 CA VAL A 37 2.817 5.174 7.038 1.00 0.00 C ATOM 503 C VAL A 37 2.768 6.536 6.343 1.00 0.00 C ATOM 504 O VAL A 37 1.913 7.365 6.653 1.00 0.00 O ATOM 505 CB VAL A 37 3.671 5.182 8.308 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.391 6.429 9.149 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.448 3.908 9.126 1.00 0.00 C ATOM 0 H VAL A 37 4.090 3.612 6.464 1.00 0.00 H new ATOM 0 HA VAL A 37 1.801 4.929 7.346 1.00 0.00 H new ATOM 0 HB VAL A 37 4.718 5.209 8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.011 6.410 10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.623 7.320 8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.339 6.446 9.435 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.066 3.939 10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.398 3.838 9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.720 3.039 8.527 1.00 0.00 H new ATOM 517 N ALA A 38 3.696 6.726 5.416 1.00 0.00 N ATOM 518 CA ALA A 38 3.769 7.973 4.674 1.00 0.00 C ATOM 519 C ALA A 38 2.614 8.034 3.672 1.00 0.00 C ATOM 520 O ALA A 38 2.059 9.103 3.423 1.00 0.00 O ATOM 521 CB ALA A 38 5.136 8.085 3.997 1.00 0.00 C ATOM 0 H ALA A 38 4.404 6.037 5.162 1.00 0.00 H new ATOM 0 HA ALA A 38 3.667 8.826 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.191 9.021 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.920 8.067 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.273 7.247 3.313 1.00 0.00 H new ATOM 527 N MET A 39 2.287 6.873 3.124 1.00 0.00 N ATOM 528 CA MET A 39 1.209 6.781 2.154 1.00 0.00 C ATOM 529 C MET A 39 -0.144 7.059 2.811 1.00 0.00 C ATOM 530 O MET A 39 -1.109 7.406 2.131 1.00 0.00 O ATOM 531 CB MET A 39 1.198 5.382 1.534 1.00 0.00 C ATOM 532 CG MET A 39 2.375 5.198 0.574 1.00 0.00 C ATOM 533 SD MET A 39 1.776 5.001 -1.096 1.00 0.00 S ATOM 534 CE MET A 39 2.752 3.597 -1.611 1.00 0.00 C ATOM 0 H MET A 39 2.749 5.988 3.333 1.00 0.00 H new ATOM 0 HA MET A 39 1.377 7.530 1.380 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.246 4.631 2.322 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.261 5.224 1.000 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.040 6.060 0.631 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.959 4.325 0.865 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.502 3.338 -2.640 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.811 3.847 -1.547 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.539 2.748 -0.961 1.00 0.00 H new ATOM 544 N GLY A 40 -0.173 6.895 4.125 1.00 0.00 N ATOM 545 CA GLY A 40 -1.392 7.124 4.882 1.00 0.00 C ATOM 546 C GLY A 40 -1.881 5.832 5.538 1.00 0.00 C ATOM 547 O GLY A 40 -3.076 5.540 5.529 1.00 0.00 O ATOM 0 H GLY A 40 0.629 6.606 4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.213 7.879 5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.166 7.516 4.222 1.00 0.00 H new ATOM 551 N PHE A 41 -0.932 5.091 6.092 1.00 0.00 N ATOM 552 CA PHE A 41 -1.252 3.836 6.751 1.00 0.00 C ATOM 553 C PHE A 41 -0.761 3.838 8.200 1.00 0.00 C ATOM 554 O PHE A 41 0.021 4.703 8.594 1.00 0.00 O ATOM 555 CB PHE A 41 -0.528 2.730 5.982 1.00 0.00 C ATOM 556 CG PHE A 41 -1.001 2.566 4.536 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.312 2.313 4.274 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.111 2.672 3.513 1.00 0.00 C ATOM 559 CE1 PHE A 41 -2.751 2.161 2.932 1.00 0.00 C ATOM 560 CE2 PHE A 41 -0.550 2.520 2.171 1.00 0.00 C ATOM 561 CZ PHE A 41 -1.861 2.268 1.909 1.00 0.00 C ATOM 0 H PHE A 41 0.058 5.336 6.098 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.331 3.685 6.761 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.541 2.942 5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.666 1.785 6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.019 2.228 5.086 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.930 2.872 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.792 1.960 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.157 2.604 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.195 2.153 0.888 1.00 0.00 H new ATOM 571 N ASP A 42 -1.239 2.860 8.955 1.00 0.00 N ATOM 572 CA ASP A 42 -0.859 2.738 10.352 1.00 0.00 C ATOM 573 C ASP A 42 0.263 1.707 10.482 1.00 0.00 C ATOM 574 O ASP A 42 0.195 0.631 9.889 1.00 0.00 O ATOM 575 CB ASP A 42 -2.038 2.264 11.205 1.00 0.00 C ATOM 576 CG ASP A 42 -2.614 3.317 12.154 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.804 4.108 12.683 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.851 3.307 12.329 1.00 0.00 O ATOM 0 H ASP A 42 -1.887 2.144 8.625 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.534 3.719 10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.832 1.921 10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.719 1.403 11.792 1.00 0.00 H new ATOM 583 N ARG A 43 1.271 2.070 11.263 1.00 0.00 N ATOM 584 CA ARG A 43 2.406 1.190 11.478 1.00 0.00 C ATOM 585 C ARG A 43 1.935 -0.259 11.619 1.00 0.00 C ATOM 586 O ARG A 43 2.518 -1.165 11.025 1.00 0.00 O ATOM 587 CB ARG A 43 3.183 1.590 12.734 1.00 0.00 C ATOM 588 CG ARG A 43 4.439 0.732 12.899 1.00 0.00 C ATOM 589 CD ARG A 43 5.534 1.500 13.641 1.00 0.00 C ATOM 590 NE ARG A 43 6.770 0.688 13.701 1.00 0.00 N ATOM 591 CZ ARG A 43 7.913 1.100 14.266 1.00 0.00 C ATOM 592 NH1 ARG A 43 7.985 2.316 14.823 1.00 0.00 N ATOM 593 NH2 ARG A 43 8.985 0.295 14.273 1.00 0.00 N ATOM 0 H ARG A 43 1.324 2.962 11.754 1.00 0.00 H new ATOM 0 HA ARG A 43 3.063 1.280 10.613 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.462 2.642 12.673 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.545 1.480 13.611 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.193 -0.178 13.447 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.805 0.425 11.919 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.734 2.445 13.135 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.199 1.743 14.649 1.00 0.00 H new ATOM 0 HE ARG A 43 6.750 -0.244 13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.170 2.929 14.817 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.855 2.629 15.253 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.930 -0.631 13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.855 0.608 14.703 1.00 0.00 H new ATOM 607 N THR A 44 0.885 -0.433 12.407 1.00 0.00 N ATOM 608 CA THR A 44 0.329 -1.756 12.633 1.00 0.00 C ATOM 609 C THR A 44 -0.157 -2.363 11.315 1.00 0.00 C ATOM 610 O THR A 44 0.378 -3.371 10.858 1.00 0.00 O ATOM 611 CB THR A 44 -0.774 -1.632 13.687 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.114 -1.061 14.814 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.259 -2.993 14.189 1.00 0.00 C ATOM 0 H THR A 44 0.404 0.321 12.898 1.00 0.00 H new ATOM 0 HA THR A 44 1.086 -2.443 13.012 1.00 0.00 H new ATOM 0 HB THR A 44 -1.615 -1.079 13.269 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.756 -0.944 15.545 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.041 -2.848 14.935 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.657 -3.568 13.353 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.425 -3.533 14.638 1.00 0.00 H new ATOM 621 N GLN A 45 -1.165 -1.722 10.741 1.00 0.00 N ATOM 622 CA GLN A 45 -1.728 -2.186 9.485 1.00 0.00 C ATOM 623 C GLN A 45 -0.611 -2.563 8.509 1.00 0.00 C ATOM 624 O GLN A 45 -0.790 -3.438 7.664 1.00 0.00 O ATOM 625 CB GLN A 45 -2.655 -1.131 8.877 1.00 0.00 C ATOM 626 CG GLN A 45 -3.819 -0.816 9.818 1.00 0.00 C ATOM 627 CD GLN A 45 -5.163 -1.067 9.130 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.939 -0.161 8.877 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.393 -2.345 8.843 1.00 0.00 N ATOM 0 H GLN A 45 -1.606 -0.885 11.123 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.325 -3.076 9.684 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.091 -0.221 8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.041 -1.488 7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.744 -1.432 10.714 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.760 0.224 10.140 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.700 -3.054 9.083 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.262 -2.616 8.383 1.00 0.00 H new ATOM 638 N VAL A 46 0.516 -1.883 8.660 1.00 0.00 N ATOM 639 CA VAL A 46 1.662 -2.136 7.802 1.00 0.00 C ATOM 640 C VAL A 46 2.307 -3.465 8.199 1.00 0.00 C ATOM 641 O VAL A 46 2.458 -4.359 7.367 1.00 0.00 O ATOM 642 CB VAL A 46 2.634 -0.956 7.868 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.856 -1.203 6.980 1.00 0.00 C ATOM 644 CG2 VAL A 46 1.936 0.352 7.490 1.00 0.00 C ATOM 0 H VAL A 46 0.660 -1.158 9.363 1.00 0.00 H new ATOM 0 HA VAL A 46 1.349 -2.225 6.762 1.00 0.00 H new ATOM 0 HB VAL A 46 2.981 -0.864 8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.531 -0.350 7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.374 -2.102 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.534 -1.334 5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.649 1.174 7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.547 0.277 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.114 0.538 8.181 1.00 0.00 H new ATOM 654 N GLU A 47 2.671 -3.554 9.470 1.00 0.00 N ATOM 655 CA GLU A 47 3.296 -4.759 9.987 1.00 0.00 C ATOM 656 C GLU A 47 2.416 -5.978 9.702 1.00 0.00 C ATOM 657 O GLU A 47 2.865 -6.940 9.081 1.00 0.00 O ATOM 658 CB GLU A 47 3.584 -4.629 11.484 1.00 0.00 C ATOM 659 CG GLU A 47 4.711 -3.626 11.740 1.00 0.00 C ATOM 660 CD GLU A 47 5.450 -3.953 13.039 1.00 0.00 C ATOM 661 OE1 GLU A 47 5.607 -5.162 13.315 1.00 0.00 O ATOM 662 OE2 GLU A 47 5.842 -2.986 13.727 1.00 0.00 O ATOM 0 H GLU A 47 2.545 -2.811 10.157 1.00 0.00 H new ATOM 0 HA GLU A 47 4.250 -4.897 9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.682 -4.309 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.859 -5.602 11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.412 -3.640 10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.300 -2.618 11.795 1.00 0.00 H new ATOM 669 N VAL A 48 1.179 -5.897 10.170 1.00 0.00 N ATOM 670 CA VAL A 48 0.232 -6.981 9.973 1.00 0.00 C ATOM 671 C VAL A 48 0.325 -7.478 8.529 1.00 0.00 C ATOM 672 O VAL A 48 0.689 -8.628 8.286 1.00 0.00 O ATOM 673 CB VAL A 48 -1.176 -6.523 10.358 1.00 0.00 C ATOM 674 CG1 VAL A 48 -1.440 -6.756 11.847 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.396 -5.056 9.985 1.00 0.00 C ATOM 0 H VAL A 48 0.811 -5.097 10.685 1.00 0.00 H new ATOM 0 HA VAL A 48 0.474 -7.822 10.623 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.890 -7.123 9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.448 -6.422 12.095 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.345 -7.818 12.072 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.716 -6.194 12.437 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.404 -4.756 10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.671 -4.434 10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.270 -4.931 8.910 1.00 0.00 H new ATOM 685 N ALA A 49 -0.011 -6.587 7.607 1.00 0.00 N ATOM 686 CA ALA A 49 0.030 -6.920 6.194 1.00 0.00 C ATOM 687 C ALA A 49 1.417 -7.461 5.842 1.00 0.00 C ATOM 688 O ALA A 49 1.553 -8.612 5.432 1.00 0.00 O ATOM 689 CB ALA A 49 -0.343 -5.687 5.367 1.00 0.00 C ATOM 0 H ALA A 49 -0.313 -5.634 7.812 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.696 -7.699 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.312 -5.937 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.348 -5.360 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.365 -4.884 5.571 1.00 0.00 H new ATOM 695 N LEU A 50 2.413 -6.603 6.014 1.00 0.00 N ATOM 696 CA LEU A 50 3.785 -6.980 5.720 1.00 0.00 C ATOM 697 C LEU A 50 4.021 -8.423 6.170 1.00 0.00 C ATOM 698 O LEU A 50 4.823 -9.140 5.575 1.00 0.00 O ATOM 699 CB LEU A 50 4.760 -5.976 6.336 1.00 0.00 C ATOM 700 CG LEU A 50 5.075 -4.740 5.491 1.00 0.00 C ATOM 701 CD1 LEU A 50 5.595 -3.596 6.364 1.00 0.00 C ATOM 702 CD2 LEU A 50 6.043 -5.083 4.357 1.00 0.00 C ATOM 0 H LEU A 50 2.297 -5.648 6.353 1.00 0.00 H new ATOM 0 HA LEU A 50 3.967 -6.948 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.353 -5.644 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.695 -6.493 6.550 1.00 0.00 H new ATOM 0 HG LEU A 50 4.149 -4.396 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.811 -2.730 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.839 -3.330 7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.505 -3.912 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.250 -4.187 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.974 -5.466 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.596 -5.841 3.714 1.00 0.00 H new ATOM 714 N ALA A 51 3.306 -8.806 7.218 1.00 0.00 N ATOM 715 CA ALA A 51 3.428 -10.151 7.756 1.00 0.00 C ATOM 716 C ALA A 51 2.892 -11.155 6.733 1.00 0.00 C ATOM 717 O ALA A 51 3.595 -12.086 6.345 1.00 0.00 O ATOM 718 CB ALA A 51 2.692 -10.234 9.094 1.00 0.00 C ATOM 0 H ALA A 51 2.640 -8.209 7.709 1.00 0.00 H new ATOM 0 HA ALA A 51 4.473 -10.396 7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.783 -11.242 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.129 -9.522 9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.639 -9.997 8.945 1.00 0.00 H new ATOM 724 N ALA A 52 1.652 -10.930 6.324 1.00 0.00 N ATOM 725 CA ALA A 52 1.014 -11.803 5.354 1.00 0.00 C ATOM 726 C ALA A 52 1.593 -11.525 3.966 1.00 0.00 C ATOM 727 O ALA A 52 1.422 -12.324 3.046 1.00 0.00 O ATOM 728 CB ALA A 52 -0.502 -11.601 5.404 1.00 0.00 C ATOM 0 H ALA A 52 1.072 -10.155 6.647 1.00 0.00 H new ATOM 0 HA ALA A 52 1.212 -12.848 5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.981 -12.256 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.868 -11.839 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.739 -10.563 5.169 1.00 0.00 H new ATOM 734 N ALA A 53 2.268 -10.390 3.857 1.00 0.00 N ATOM 735 CA ALA A 53 2.873 -9.996 2.597 1.00 0.00 C ATOM 736 C ALA A 53 4.212 -10.719 2.431 1.00 0.00 C ATOM 737 O ALA A 53 4.787 -10.727 1.344 1.00 0.00 O ATOM 738 CB ALA A 53 3.024 -8.474 2.555 1.00 0.00 C ATOM 0 H ALA A 53 2.409 -9.730 4.622 1.00 0.00 H new ATOM 0 HA ALA A 53 2.236 -10.283 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.478 -8.179 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.043 -8.008 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.659 -8.148 3.379 1.00 0.00 H new ATOM 744 N ASP A 54 4.669 -11.309 3.527 1.00 0.00 N ATOM 745 CA ASP A 54 5.929 -12.032 3.517 1.00 0.00 C ATOM 746 C ASP A 54 7.080 -11.041 3.340 1.00 0.00 C ATOM 747 O ASP A 54 8.043 -11.322 2.628 1.00 0.00 O ATOM 748 CB ASP A 54 5.982 -13.030 2.358 1.00 0.00 C ATOM 749 CG ASP A 54 6.874 -14.250 2.595 1.00 0.00 C ATOM 750 OD1 ASP A 54 7.143 -14.534 3.782 1.00 0.00 O ATOM 751 OD2 ASP A 54 7.267 -14.871 1.584 1.00 0.00 O ATOM 0 H ASP A 54 4.189 -11.301 4.427 1.00 0.00 H new ATOM 0 HA ASP A 54 6.016 -12.570 4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.969 -13.374 2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.333 -12.510 1.466 1.00 0.00 H new ATOM 756 N ASP A 55 6.943 -9.900 3.999 1.00 0.00 N ATOM 757 CA ASP A 55 7.960 -8.865 3.924 1.00 0.00 C ATOM 758 C ASP A 55 7.849 -8.144 2.579 1.00 0.00 C ATOM 759 O ASP A 55 8.704 -7.329 2.235 1.00 0.00 O ATOM 760 CB ASP A 55 9.364 -9.463 4.025 1.00 0.00 C ATOM 761 CG ASP A 55 10.272 -8.810 5.068 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.398 -7.567 5.012 1.00 0.00 O ATOM 763 OD2 ASP A 55 10.820 -9.567 5.897 1.00 0.00 O ATOM 0 H ASP A 55 6.143 -9.669 4.588 1.00 0.00 H new ATOM 0 HA ASP A 55 7.801 -8.176 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.275 -10.524 4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.845 -9.389 3.050 1.00 0.00 H new ATOM 768 N ASP A 56 6.789 -8.470 1.854 1.00 0.00 N ATOM 769 CA ASP A 56 6.555 -7.864 0.555 1.00 0.00 C ATOM 770 C ASP A 56 5.815 -6.538 0.741 1.00 0.00 C ATOM 771 O ASP A 56 4.843 -6.465 1.491 1.00 0.00 O ATOM 772 CB ASP A 56 5.690 -8.768 -0.327 1.00 0.00 C ATOM 773 CG ASP A 56 5.660 -8.388 -1.809 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.470 -7.183 -2.082 1.00 0.00 O ATOM 775 OD2 ASP A 56 5.828 -9.311 -2.635 1.00 0.00 O ATOM 0 H ASP A 56 6.082 -9.147 2.142 1.00 0.00 H new ATOM 0 HA ASP A 56 7.522 -7.710 0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.052 -9.792 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.670 -8.756 0.056 1.00 0.00 H new ATOM 780 N LEU A 57 6.304 -5.522 0.045 1.00 0.00 N ATOM 781 CA LEU A 57 5.702 -4.202 0.124 1.00 0.00 C ATOM 782 C LEU A 57 4.597 -4.086 -0.928 1.00 0.00 C ATOM 783 O LEU A 57 3.427 -3.915 -0.589 1.00 0.00 O ATOM 784 CB LEU A 57 6.774 -3.116 0.012 1.00 0.00 C ATOM 785 CG LEU A 57 6.339 -1.702 0.403 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.157 -1.740 1.373 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.517 -0.903 0.966 1.00 0.00 C ATOM 0 H LEU A 57 7.110 -5.586 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 57 5.233 -4.055 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.619 -3.401 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.134 -3.093 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 57 6.000 -1.188 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.868 -0.722 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.315 -2.246 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.444 -2.279 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.182 0.098 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.908 -1.406 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.302 -0.832 0.213 1.00 0.00 H new ATOM 799 N THR A 58 5.007 -4.185 -2.184 1.00 0.00 N ATOM 800 CA THR A 58 4.067 -4.093 -3.288 1.00 0.00 C ATOM 801 C THR A 58 2.778 -4.847 -2.955 1.00 0.00 C ATOM 802 O THR A 58 1.698 -4.465 -3.403 1.00 0.00 O ATOM 803 CB THR A 58 4.765 -4.611 -4.548 1.00 0.00 C ATOM 804 OG1 THR A 58 5.397 -3.456 -5.093 1.00 0.00 O ATOM 805 CG2 THR A 58 3.774 -5.040 -5.632 1.00 0.00 C ATOM 0 H THR A 58 5.978 -4.328 -2.462 1.00 0.00 H new ATOM 0 HA THR A 58 3.766 -3.061 -3.466 1.00 0.00 H new ATOM 0 HB THR A 58 5.406 -5.454 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.875 -3.701 -5.913 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.321 -5.399 -6.504 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.138 -5.838 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.156 -4.189 -5.917 1.00 0.00 H new ATOM 813 N VAL A 59 2.934 -5.903 -2.170 1.00 0.00 N ATOM 814 CA VAL A 59 1.796 -6.714 -1.771 1.00 0.00 C ATOM 815 C VAL A 59 1.126 -6.079 -0.551 1.00 0.00 C ATOM 816 O VAL A 59 -0.094 -5.924 -0.518 1.00 0.00 O ATOM 817 CB VAL A 59 2.241 -8.157 -1.526 1.00 0.00 C ATOM 818 CG1 VAL A 59 1.044 -9.053 -1.204 1.00 0.00 C ATOM 819 CG2 VAL A 59 3.027 -8.699 -2.722 1.00 0.00 C ATOM 0 H VAL A 59 3.831 -6.216 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 59 1.054 -6.749 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 59 2.904 -8.161 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.388 -10.073 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.545 -8.685 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.345 -9.041 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.331 -9.726 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.398 -8.674 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.912 -8.084 -2.885 1.00 0.00 H new ATOM 829 N ALA A 60 1.953 -5.730 0.423 1.00 0.00 N ATOM 830 CA ALA A 60 1.457 -5.116 1.643 1.00 0.00 C ATOM 831 C ALA A 60 0.565 -3.925 1.283 1.00 0.00 C ATOM 832 O ALA A 60 -0.589 -3.861 1.702 1.00 0.00 O ATOM 833 CB ALA A 60 2.637 -4.714 2.530 1.00 0.00 C ATOM 0 H ALA A 60 2.964 -5.861 0.392 1.00 0.00 H new ATOM 0 HA ALA A 60 0.851 -5.823 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.264 -4.253 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.221 -5.599 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.267 -4.003 1.997 1.00 0.00 H new ATOM 839 N VAL A 61 1.135 -3.013 0.510 1.00 0.00 N ATOM 840 CA VAL A 61 0.407 -1.828 0.089 1.00 0.00 C ATOM 841 C VAL A 61 -1.000 -2.231 -0.358 1.00 0.00 C ATOM 842 O VAL A 61 -1.982 -1.598 0.025 1.00 0.00 O ATOM 843 CB VAL A 61 1.191 -1.091 -0.999 1.00 0.00 C ATOM 844 CG1 VAL A 61 1.425 -1.992 -2.213 1.00 0.00 C ATOM 845 CG2 VAL A 61 0.482 0.203 -1.405 1.00 0.00 C ATOM 0 H VAL A 61 2.093 -3.071 0.164 1.00 0.00 H new ATOM 0 HA VAL A 61 0.298 -1.132 0.921 1.00 0.00 H new ATOM 0 HB VAL A 61 2.165 -0.825 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.984 -1.443 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.992 -2.872 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.465 -2.304 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.060 0.707 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.511 -0.031 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.391 0.856 -0.537 1.00 0.00 H new ATOM 855 N GLU A 62 -1.052 -3.283 -1.162 1.00 0.00 N ATOM 856 CA GLU A 62 -2.322 -3.778 -1.665 1.00 0.00 C ATOM 857 C GLU A 62 -3.235 -4.175 -0.503 1.00 0.00 C ATOM 858 O GLU A 62 -4.440 -3.936 -0.547 1.00 0.00 O ATOM 859 CB GLU A 62 -2.112 -4.953 -2.623 1.00 0.00 C ATOM 860 CG GLU A 62 -1.309 -4.521 -3.852 1.00 0.00 C ATOM 861 CD GLU A 62 -2.163 -3.667 -4.792 1.00 0.00 C ATOM 862 OE1 GLU A 62 -2.918 -4.274 -5.582 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.041 -2.427 -4.699 1.00 0.00 O ATOM 0 H GLU A 62 -0.235 -3.806 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.806 -2.977 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.589 -5.759 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.078 -5.349 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.432 -3.956 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.947 -5.402 -4.383 1.00 0.00 H new ATOM 870 N ILE A 63 -2.624 -4.774 0.509 1.00 0.00 N ATOM 871 CA ILE A 63 -3.367 -5.206 1.681 1.00 0.00 C ATOM 872 C ILE A 63 -3.821 -3.978 2.473 1.00 0.00 C ATOM 873 O ILE A 63 -4.986 -3.878 2.856 1.00 0.00 O ATOM 874 CB ILE A 63 -2.541 -6.197 2.503 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.406 -7.535 1.774 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.125 -6.365 3.907 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.213 -8.331 2.307 1.00 0.00 C ATOM 0 H ILE A 63 -1.624 -4.970 0.542 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.267 -5.745 1.385 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.536 -5.791 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.320 -8.115 1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.283 -7.360 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.519 -7.075 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.126 -5.402 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.147 -6.738 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.139 -9.278 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.298 -7.758 2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.351 -8.525 3.371 1.00 0.00 H new ATOM 889 N LEU A 64 -2.878 -3.074 2.694 1.00 0.00 N ATOM 890 CA LEU A 64 -3.166 -1.857 3.433 1.00 0.00 C ATOM 891 C LEU A 64 -4.341 -1.131 2.774 1.00 0.00 C ATOM 892 O LEU A 64 -5.258 -0.678 3.457 1.00 0.00 O ATOM 893 CB LEU A 64 -1.907 -0.998 3.564 1.00 0.00 C ATOM 894 CG LEU A 64 -0.875 -1.472 4.589 1.00 0.00 C ATOM 895 CD1 LEU A 64 -1.036 -0.726 5.915 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.942 -2.989 4.772 1.00 0.00 C ATOM 0 H LEU A 64 -1.913 -3.160 2.374 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.469 -2.094 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.423 -0.946 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.209 0.016 3.824 1.00 0.00 H new ATOM 0 HG LEU A 64 0.119 -1.237 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.290 -1.082 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.899 0.343 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.034 -0.906 6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.198 -3.300 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.936 -3.270 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.740 -3.480 3.820 1.00 0.00 H new ATOM 908 N MET A 65 -4.274 -1.042 1.453 1.00 0.00 N ATOM 909 CA MET A 65 -5.320 -0.379 0.694 1.00 0.00 C ATOM 910 C MET A 65 -6.691 -0.978 1.011 1.00 0.00 C ATOM 911 O MET A 65 -7.663 -0.248 1.201 1.00 0.00 O ATOM 912 CB MET A 65 -5.034 -0.522 -0.802 1.00 0.00 C ATOM 913 CG MET A 65 -4.063 0.559 -1.281 1.00 0.00 C ATOM 914 SD MET A 65 -4.888 1.662 -2.416 1.00 0.00 S ATOM 915 CE MET A 65 -4.670 3.211 -1.557 1.00 0.00 C ATOM 0 H MET A 65 -3.511 -1.418 0.890 1.00 0.00 H new ATOM 0 HA MET A 65 -5.332 0.675 0.972 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.614 -1.508 -1.003 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.966 -0.452 -1.362 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.682 1.120 -0.428 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.204 0.098 -1.769 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.130 4.014 -2.133 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.141 3.152 -0.576 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.606 3.414 -1.437 1.00 0.00 H new ATOM 925 N SER A 66 -6.727 -2.302 1.059 1.00 0.00 N ATOM 926 CA SER A 66 -7.963 -3.007 1.350 1.00 0.00 C ATOM 927 C SER A 66 -8.501 -2.578 2.717 1.00 0.00 C ATOM 928 O SER A 66 -9.713 -2.497 2.913 1.00 0.00 O ATOM 929 CB SER A 66 -7.755 -4.522 1.313 1.00 0.00 C ATOM 930 OG SER A 66 -8.742 -5.178 0.522 1.00 0.00 O ATOM 0 H SER A 66 -5.919 -2.905 0.901 1.00 0.00 H new ATOM 0 HA SER A 66 -8.693 -2.749 0.582 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.765 -4.742 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.784 -4.917 2.329 1.00 0.00 H new ATOM 0 HG SER A 66 -8.573 -6.143 0.522 1.00 0.00 H new ATOM 936 N GLN A 67 -7.574 -2.316 3.626 1.00 0.00 N ATOM 937 CA GLN A 67 -7.940 -1.898 4.969 1.00 0.00 C ATOM 938 C GLN A 67 -8.852 -0.671 4.912 1.00 0.00 C ATOM 939 O GLN A 67 -9.928 -0.665 5.507 1.00 0.00 O ATOM 940 CB GLN A 67 -6.695 -1.618 5.814 1.00 0.00 C ATOM 941 CG GLN A 67 -5.735 -2.809 5.787 1.00 0.00 C ATOM 942 CD GLN A 67 -6.467 -4.111 6.117 1.00 0.00 C ATOM 943 OE1 GLN A 67 -7.434 -4.139 6.861 1.00 0.00 O ATOM 944 NE2 GLN A 67 -5.953 -5.186 5.525 1.00 0.00 N ATOM 0 H GLN A 67 -6.570 -2.385 3.459 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.487 -2.711 5.446 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.188 -0.729 5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.989 -1.406 6.842 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.274 -2.887 4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.930 -2.648 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.142 -5.093 4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.370 -6.103 5.683 1.00 0.00 H new ATOM 953 N SER A 68 -8.387 0.340 4.192 1.00 0.00 N ATOM 954 CA SER A 68 -9.147 1.570 4.051 1.00 0.00 C ATOM 955 C SER A 68 -8.627 2.372 2.856 1.00 0.00 C ATOM 956 O SER A 68 -7.438 2.329 2.545 1.00 0.00 O ATOM 957 CB SER A 68 -9.076 2.412 5.326 1.00 0.00 C ATOM 958 OG SER A 68 -10.370 2.728 5.830 1.00 0.00 O ATOM 0 H SER A 68 -7.493 0.332 3.700 1.00 0.00 H new ATOM 0 HA SER A 68 -10.191 1.308 3.879 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.513 1.871 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.532 3.334 5.122 1.00 0.00 H new ATOM 0 HG SER A 68 -10.281 3.265 6.645 1.00 0.00 H new ATOM 964 N GLY A 69 -9.544 3.085 2.218 1.00 0.00 N ATOM 965 CA GLY A 69 -9.194 3.895 1.065 1.00 0.00 C ATOM 966 C GLY A 69 -9.666 3.236 -0.233 1.00 0.00 C ATOM 967 O GLY A 69 -9.003 2.341 -0.755 1.00 0.00 O ATOM 0 H GLY A 69 -10.530 3.118 2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.645 4.883 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.114 4.039 1.032 1.00 0.00 H new ATOM 971 N PRO A 70 -10.838 3.716 -0.728 1.00 0.00 N ATOM 972 CA PRO A 70 -11.406 3.183 -1.954 1.00 0.00 C ATOM 973 C PRO A 70 -10.642 3.689 -3.179 1.00 0.00 C ATOM 974 O PRO A 70 -11.040 4.673 -3.801 1.00 0.00 O ATOM 975 CB PRO A 70 -12.861 3.624 -1.938 1.00 0.00 C ATOM 976 CG PRO A 70 -12.937 4.772 -0.945 1.00 0.00 C ATOM 977 CD PRO A 70 -11.650 4.775 -0.136 1.00 0.00 C ATOM 0 HA PRO A 70 -11.333 2.097 -2.013 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -13.183 3.943 -2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.514 2.805 -1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -13.062 5.721 -1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -13.800 4.653 -0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -11.147 5.740 -0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.845 4.582 0.919 1.00 0.00 H new ATOM 985 N SER A 71 -9.557 2.994 -3.488 1.00 0.00 N ATOM 986 CA SER A 71 -8.733 3.361 -4.627 1.00 0.00 C ATOM 987 C SER A 71 -8.546 4.879 -4.671 1.00 0.00 C ATOM 988 O SER A 71 -9.217 5.569 -5.437 1.00 0.00 O ATOM 989 CB SER A 71 -9.349 2.865 -5.936 1.00 0.00 C ATOM 990 OG SER A 71 -8.758 1.645 -6.376 1.00 0.00 O ATOM 0 H SER A 71 -9.230 2.179 -2.969 1.00 0.00 H new ATOM 0 HA SER A 71 -7.760 2.884 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.421 2.720 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.225 3.626 -6.706 1.00 0.00 H new ATOM 0 HG SER A 71 -9.180 1.361 -7.214 1.00 0.00 H new ATOM 996 N SER A 72 -7.632 5.355 -3.838 1.00 0.00 N ATOM 997 CA SER A 72 -7.349 6.779 -3.772 1.00 0.00 C ATOM 998 C SER A 72 -5.962 7.064 -4.352 1.00 0.00 C ATOM 999 O SER A 72 -5.170 6.145 -4.556 1.00 0.00 O ATOM 1000 CB SER A 72 -7.439 7.292 -2.334 1.00 0.00 C ATOM 1001 OG SER A 72 -8.772 7.248 -1.833 1.00 0.00 O ATOM 0 H SER A 72 -7.078 4.780 -3.203 1.00 0.00 H new ATOM 0 HA SER A 72 -8.098 7.305 -4.364 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.792 6.692 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.069 8.317 -2.291 1.00 0.00 H new ATOM 0 HG SER A 72 -8.786 7.582 -0.912 1.00 0.00 H new ATOM 1007 N GLY A 73 -5.710 8.341 -4.600 1.00 0.00 N ATOM 1008 CA GLY A 73 -4.433 8.759 -5.152 1.00 0.00 C ATOM 1009 C GLY A 73 -4.229 8.186 -6.556 1.00 0.00 C ATOM 1010 O GLY A 73 -3.787 8.894 -7.460 1.00 0.00 O ATOM 0 H GLY A 73 -6.369 9.100 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.388 9.847 -5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.625 8.428 -4.499 1.00 0.00 H new TER 1014 GLY A 73