USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 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 62 THR OG1 : rot 180:sc= -0.381 USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= -0.0103 F(o=-1.1,f=-0.39) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 GLN : amide:sc= -2.07! C(o=-2.1!,f=-8!) USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.078) USER MOD Single : A 8 GLN : amide:sc= -0.713 X(o=-0.71,f=-0.28) USER MOD Single : A 13 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.22) USER MOD Single : A 26 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.1) USER MOD Single : A 33 SER OG : rot 36:sc= 0.175 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.630 -10.600 12.630 1.00 0.00 N ATOM 2 CA GLN A 6 1.712 -9.497 12.888 1.00 0.00 C ATOM 3 C GLN A 6 2.481 -8.245 13.298 1.00 0.00 C ATOM 4 O GLN A 6 2.031 -7.123 13.064 1.00 0.00 O ATOM 5 CB GLN A 6 0.732 -9.883 13.998 1.00 0.00 C ATOM 6 CG GLN A 6 1.506 -10.171 15.286 1.00 0.00 C ATOM 7 CD GLN A 6 0.583 -10.820 16.313 1.00 0.00 C ATOM 8 OE1 GLN A 6 -0.707 -10.667 16.207 1.00 0.00 O flip ATOM 9 NE2 GLN A 6 1.053 -11.483 17.239 1.00 0.00 N flip ATOM 0 HA GLN A 6 1.159 -9.286 11.972 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.018 -9.077 14.163 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.158 -10.761 13.702 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.349 -10.829 15.075 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.918 -9.245 15.688 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.063 -11.602 17.320 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.432 -11.913 17.924 1.00 0.00 H new ATOM 18 N GLN A 7 3.644 -8.446 13.910 1.00 0.00 N ATOM 19 CA GLN A 7 4.468 -7.328 14.349 1.00 0.00 C ATOM 20 C GLN A 7 4.569 -6.272 13.253 1.00 0.00 C ATOM 21 O GLN A 7 4.164 -5.126 13.442 1.00 0.00 O ATOM 22 CB GLN A 7 5.869 -7.827 14.709 1.00 0.00 C ATOM 23 CG GLN A 7 5.791 -8.723 15.947 1.00 0.00 C ATOM 24 CD GLN A 7 5.574 -7.872 17.193 1.00 0.00 C ATOM 25 OE1 GLN A 7 4.622 -8.095 17.940 1.00 0.00 O ATOM 26 NE2 GLN A 7 6.407 -6.904 17.465 1.00 0.00 N ATOM 0 H GLN A 7 4.034 -9.367 14.112 1.00 0.00 H new ATOM 0 HA GLN A 7 4.003 -6.879 15.227 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.295 -8.381 13.873 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.529 -6.981 14.900 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.975 -9.438 15.838 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.710 -9.301 16.047 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.196 -6.720 16.845 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.269 -6.331 18.298 1.00 0.00 H new ATOM 35 N GLN A 8 5.110 -6.666 12.106 1.00 0.00 N ATOM 36 CA GLN A 8 5.259 -5.743 10.988 1.00 0.00 C ATOM 37 C GLN A 8 3.958 -4.989 10.728 1.00 0.00 C ATOM 38 O GLN A 8 3.975 -3.826 10.326 1.00 0.00 O ATOM 39 CB GLN A 8 5.663 -6.512 9.728 1.00 0.00 C ATOM 40 CG GLN A 8 6.134 -5.526 8.657 1.00 0.00 C ATOM 41 CD GLN A 8 7.517 -4.993 9.011 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.528 -5.561 8.597 1.00 0.00 O ATOM 43 NE2 GLN A 8 7.624 -3.928 9.758 1.00 0.00 N ATOM 0 H GLN A 8 5.450 -7.611 11.927 1.00 0.00 H new ATOM 0 HA GLN A 8 6.036 -5.022 11.243 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.458 -7.220 9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.818 -7.092 9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.163 -6.019 7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.427 -4.700 8.575 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.785 -3.459 10.100 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.546 -3.565 10.000 1.00 0.00 H new ATOM 52 N ALA A 9 2.833 -5.660 10.956 1.00 0.00 N ATOM 53 CA ALA A 9 1.529 -5.043 10.737 1.00 0.00 C ATOM 54 C ALA A 9 1.269 -3.938 11.758 1.00 0.00 C ATOM 55 O ALA A 9 1.151 -2.766 11.402 1.00 0.00 O ATOM 56 CB ALA A 9 0.427 -6.101 10.834 1.00 0.00 C ATOM 0 H ALA A 9 2.797 -6.623 11.290 1.00 0.00 H new ATOM 0 HA ALA A 9 1.525 -4.602 9.740 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.543 -5.632 10.669 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.592 -6.869 10.078 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.446 -6.557 11.824 1.00 0.00 H new ATOM 62 N VAL A 10 1.177 -4.318 13.029 1.00 0.00 N ATOM 63 CA VAL A 10 0.925 -3.344 14.087 1.00 0.00 C ATOM 64 C VAL A 10 2.059 -2.326 14.165 1.00 0.00 C ATOM 65 O VAL A 10 1.845 -1.171 14.532 1.00 0.00 O ATOM 66 CB VAL A 10 0.778 -4.059 15.431 1.00 0.00 C ATOM 67 CG1 VAL A 10 2.002 -4.941 15.679 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.661 -3.022 16.552 1.00 0.00 C ATOM 0 H VAL A 10 1.272 -5.282 13.349 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.000 -2.816 13.855 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.118 -4.679 15.414 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.896 -5.450 16.637 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.085 -5.681 14.883 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.899 -4.322 15.694 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.556 -3.532 17.510 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.556 -2.401 16.568 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.213 -2.395 16.377 1.00 0.00 H new ATOM 78 N LEU A 11 3.267 -2.759 13.817 1.00 0.00 N ATOM 79 CA LEU A 11 4.423 -1.871 13.854 1.00 0.00 C ATOM 80 C LEU A 11 4.305 -0.791 12.782 1.00 0.00 C ATOM 81 O LEU A 11 4.163 0.391 13.093 1.00 0.00 O ATOM 82 CB LEU A 11 5.712 -2.671 13.633 1.00 0.00 C ATOM 83 CG LEU A 11 6.064 -3.469 14.896 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.272 -4.364 14.603 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.408 -2.511 16.048 1.00 0.00 C ATOM 0 H LEU A 11 3.470 -3.710 13.509 1.00 0.00 H new ATOM 0 HA LEU A 11 4.456 -1.395 14.834 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.588 -3.349 12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.529 -1.995 13.381 1.00 0.00 H new ATOM 0 HG LEU A 11 5.209 -4.079 15.185 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.528 -4.934 15.496 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.028 -5.050 13.792 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.121 -3.745 14.312 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.656 -3.088 16.939 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.261 -1.894 15.766 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.551 -1.871 16.257 1.00 0.00 H new ATOM 97 N GLU A 12 4.366 -1.203 11.518 1.00 0.00 N ATOM 98 CA GLU A 12 4.266 -0.256 10.413 1.00 0.00 C ATOM 99 C GLU A 12 2.974 0.551 10.514 1.00 0.00 C ATOM 100 O GLU A 12 2.939 1.732 10.169 1.00 0.00 O ATOM 101 CB GLU A 12 4.315 -1.000 9.074 1.00 0.00 C ATOM 102 CG GLU A 12 2.953 -1.636 8.779 1.00 0.00 C ATOM 103 CD GLU A 12 3.100 -2.711 7.708 1.00 0.00 C ATOM 104 OE1 GLU A 12 4.182 -2.827 7.157 1.00 0.00 O ATOM 105 OE2 GLU A 12 2.127 -3.402 7.452 1.00 0.00 O ATOM 0 H GLU A 12 4.483 -2.176 11.236 1.00 0.00 H new ATOM 0 HA GLU A 12 5.111 0.430 10.470 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.584 -0.310 8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.086 -1.770 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.541 -2.072 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.251 -0.872 8.445 1.00 0.00 H new ATOM 112 N GLN A 13 1.913 -0.096 10.987 1.00 0.00 N ATOM 113 CA GLN A 13 0.626 0.573 11.129 1.00 0.00 C ATOM 114 C GLN A 13 0.724 1.703 12.149 1.00 0.00 C ATOM 115 O GLN A 13 0.260 2.816 11.903 1.00 0.00 O ATOM 116 CB GLN A 13 -0.440 -0.434 11.574 1.00 0.00 C ATOM 117 CG GLN A 13 -1.793 0.269 11.726 1.00 0.00 C ATOM 118 CD GLN A 13 -2.212 0.894 10.399 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.412 0.184 9.413 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.358 2.188 10.315 1.00 0.00 N ATOM 0 H GLN A 13 1.919 -1.074 11.276 1.00 0.00 H new ATOM 0 HA GLN A 13 0.344 0.994 10.164 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.519 -1.239 10.844 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.149 -0.890 12.520 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.548 -0.445 12.055 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.727 1.039 12.495 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.192 2.774 11.133 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.638 2.613 9.431 1.00 0.00 H new ATOM 129 N GLU A 14 1.333 1.408 13.292 1.00 0.00 N ATOM 130 CA GLU A 14 1.487 2.409 14.342 1.00 0.00 C ATOM 131 C GLU A 14 2.431 3.519 13.889 1.00 0.00 C ATOM 132 O GLU A 14 2.065 4.694 13.883 1.00 0.00 O ATOM 133 CB GLU A 14 2.037 1.753 15.611 1.00 0.00 C ATOM 134 CG GLU A 14 0.929 0.945 16.291 1.00 0.00 C ATOM 135 CD GLU A 14 -0.038 1.883 17.004 1.00 0.00 C ATOM 136 OE1 GLU A 14 0.211 2.194 18.158 1.00 0.00 O ATOM 137 OE2 GLU A 14 -1.014 2.277 16.387 1.00 0.00 O ATOM 0 H GLU A 14 1.725 0.493 13.514 1.00 0.00 H new ATOM 0 HA GLU A 14 0.509 2.843 14.552 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.876 1.102 15.362 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.416 2.515 16.292 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.393 0.352 15.550 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.364 0.246 17.005 1.00 0.00 H new ATOM 144 N ARG A 15 3.647 3.138 13.508 1.00 0.00 N ATOM 145 CA ARG A 15 4.633 4.111 13.054 1.00 0.00 C ATOM 146 C ARG A 15 4.017 5.055 12.025 1.00 0.00 C ATOM 147 O ARG A 15 4.152 6.274 12.128 1.00 0.00 O ATOM 148 CB ARG A 15 5.833 3.390 12.436 1.00 0.00 C ATOM 149 CG ARG A 15 6.680 2.760 13.544 1.00 0.00 C ATOM 150 CD ARG A 15 7.930 2.125 12.932 1.00 0.00 C ATOM 151 NE ARG A 15 8.910 1.833 13.973 1.00 0.00 N ATOM 152 CZ ARG A 15 10.198 1.683 13.681 1.00 0.00 C ATOM 153 NH1 ARG A 15 10.604 1.796 12.446 1.00 0.00 N ATOM 154 NH2 ARG A 15 11.055 1.421 14.629 1.00 0.00 N ATOM 0 H ARG A 15 3.970 2.171 13.505 1.00 0.00 H new ATOM 0 HA ARG A 15 4.965 4.694 13.913 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.491 2.621 11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.435 4.093 11.859 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.964 3.518 14.274 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.100 2.006 14.076 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.661 1.208 12.408 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.364 2.799 12.193 1.00 0.00 H new ATOM 0 HE ARG A 15 8.601 1.742 14.941 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.933 1.999 11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.592 1.681 12.222 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.737 1.331 15.594 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.043 1.306 14.405 1.00 0.00 H new ATOM 168 N ARG A 16 3.343 4.482 11.034 1.00 0.00 N ATOM 169 CA ARG A 16 2.710 5.282 9.992 1.00 0.00 C ATOM 170 C ARG A 16 1.662 6.212 10.593 1.00 0.00 C ATOM 171 O ARG A 16 1.778 7.434 10.503 1.00 0.00 O ATOM 172 CB ARG A 16 2.052 4.366 8.959 1.00 0.00 C ATOM 173 CG ARG A 16 1.708 5.173 7.704 1.00 0.00 C ATOM 174 CD ARG A 16 1.148 4.236 6.633 1.00 0.00 C ATOM 175 NE ARG A 16 1.129 4.902 5.337 1.00 0.00 N ATOM 176 CZ ARG A 16 0.860 4.229 4.223 1.00 0.00 C ATOM 177 NH1 ARG A 16 0.608 2.949 4.279 1.00 0.00 N ATOM 178 NH2 ARG A 16 0.848 4.846 3.073 1.00 0.00 N ATOM 0 H ARG A 16 3.221 3.475 10.930 1.00 0.00 H new ATOM 0 HA ARG A 16 3.477 5.885 9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.724 3.546 8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.149 3.920 9.376 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.978 5.946 7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.597 5.680 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.756 3.333 6.576 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.139 3.925 6.904 1.00 0.00 H new ATOM 0 HE ARG A 16 1.325 5.901 5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.618 2.466 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.401 2.432 3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.045 5.846 3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.641 4.328 2.219 1.00 0.00 H new ATOM 192 N ASP A 17 0.640 5.626 11.207 1.00 0.00 N ATOM 193 CA ASP A 17 -0.425 6.413 11.820 1.00 0.00 C ATOM 194 C ASP A 17 0.152 7.618 12.556 1.00 0.00 C ATOM 195 O ASP A 17 -0.248 8.756 12.312 1.00 0.00 O ATOM 196 CB ASP A 17 -1.218 5.546 12.800 1.00 0.00 C ATOM 197 CG ASP A 17 -2.434 6.314 13.307 1.00 0.00 C ATOM 198 OD1 ASP A 17 -2.318 7.516 13.486 1.00 0.00 O ATOM 199 OD2 ASP A 17 -3.462 5.689 13.509 1.00 0.00 O ATOM 0 H ASP A 17 0.526 4.616 11.294 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.087 6.768 11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.537 4.626 12.309 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.584 5.257 13.638 1.00 0.00 H new ATOM 204 N ARG A 18 1.094 7.359 13.457 1.00 0.00 N ATOM 205 CA ARG A 18 1.720 8.430 14.223 1.00 0.00 C ATOM 206 C ARG A 18 2.334 9.468 13.288 1.00 0.00 C ATOM 207 O ARG A 18 2.040 10.658 13.387 1.00 0.00 O ATOM 208 CB ARG A 18 2.804 7.856 15.136 1.00 0.00 C ATOM 209 CG ARG A 18 2.150 7.075 16.277 1.00 0.00 C ATOM 210 CD ARG A 18 3.234 6.452 17.159 1.00 0.00 C ATOM 211 NE ARG A 18 2.643 5.907 18.375 1.00 0.00 N ATOM 212 CZ ARG A 18 2.322 6.697 19.397 1.00 0.00 C ATOM 213 NH1 ARG A 18 2.536 7.981 19.320 1.00 0.00 N ATOM 214 NH2 ARG A 18 1.796 6.185 20.475 1.00 0.00 N ATOM 0 H ARG A 18 1.439 6.424 13.674 1.00 0.00 H new ATOM 0 HA ARG A 18 0.954 8.913 14.830 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.465 7.203 14.567 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.419 8.661 15.538 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.520 7.738 16.871 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.503 6.296 15.874 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.749 5.663 16.611 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.981 7.203 17.414 1.00 0.00 H new ATOM 0 HE ARG A 18 2.473 4.904 18.444 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.949 8.380 18.477 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.290 8.587 20.103 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.631 5.180 20.534 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.550 6.789 21.259 1.00 0.00 H new ATOM 228 N GLU A 19 3.191 9.007 12.381 1.00 0.00 N ATOM 229 CA GLU A 19 3.842 9.905 11.434 1.00 0.00 C ATOM 230 C GLU A 19 2.817 10.828 10.780 1.00 0.00 C ATOM 231 O GLU A 19 2.821 12.037 11.011 1.00 0.00 O ATOM 232 CB GLU A 19 4.563 9.093 10.355 1.00 0.00 C ATOM 233 CG GLU A 19 5.849 8.501 10.934 1.00 0.00 C ATOM 234 CD GLU A 19 6.377 7.404 10.015 1.00 0.00 C ATOM 235 OE1 GLU A 19 5.831 6.313 10.052 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.319 7.671 9.287 1.00 0.00 O ATOM 0 H GLU A 19 3.449 8.025 12.282 1.00 0.00 H new ATOM 0 HA GLU A 19 4.567 10.512 11.976 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.915 8.296 9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.796 9.729 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.600 9.283 11.049 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.657 8.094 11.927 1.00 0.00 H new ATOM 243 N LEU A 20 1.942 10.251 9.964 1.00 0.00 N ATOM 244 CA LEU A 20 0.917 11.033 9.284 1.00 0.00 C ATOM 245 C LEU A 20 0.259 12.009 10.254 1.00 0.00 C ATOM 246 O LEU A 20 0.364 13.225 10.094 1.00 0.00 O ATOM 247 CB LEU A 20 -0.144 10.100 8.688 1.00 0.00 C ATOM 248 CG LEU A 20 0.330 9.581 7.327 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.696 8.910 7.480 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.680 8.564 6.791 1.00 0.00 C ATOM 0 H LEU A 20 1.922 9.252 9.758 1.00 0.00 H new ATOM 0 HA LEU A 20 1.389 11.600 8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.327 9.264 9.363 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.089 10.632 8.576 1.00 0.00 H new ATOM 0 HG LEU A 20 0.413 10.415 6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.031 8.542 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.416 9.634 7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.616 8.076 8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.344 8.194 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.763 7.731 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.653 9.042 6.679 1.00 0.00 H new ATOM 262 N ALA A 21 -0.417 11.469 11.263 1.00 0.00 N ATOM 263 CA ALA A 21 -1.087 12.304 12.254 1.00 0.00 C ATOM 264 C ALA A 21 -0.167 13.430 12.719 1.00 0.00 C ATOM 265 O ALA A 21 -0.617 14.550 12.962 1.00 0.00 O ATOM 266 CB ALA A 21 -1.505 11.453 13.456 1.00 0.00 C ATOM 0 H ALA A 21 -0.515 10.465 11.416 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.972 12.742 11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.005 12.083 14.192 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.187 10.669 13.127 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.622 11.000 13.906 1.00 0.00 H new ATOM 272 N LEU A 22 1.121 13.125 12.839 1.00 0.00 N ATOM 273 CA LEU A 22 2.094 14.120 13.276 1.00 0.00 C ATOM 274 C LEU A 22 2.337 15.149 12.177 1.00 0.00 C ATOM 275 O LEU A 22 2.460 16.343 12.448 1.00 0.00 O ATOM 276 CB LEU A 22 3.416 13.434 13.638 1.00 0.00 C ATOM 277 CG LEU A 22 4.279 14.381 14.485 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.937 14.206 15.968 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.760 14.056 14.269 1.00 0.00 C ATOM 0 H LEU A 22 1.513 12.204 12.642 1.00 0.00 H new ATOM 0 HA LEU A 22 1.697 14.629 14.154 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.220 12.515 14.190 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.951 13.153 12.731 1.00 0.00 H new ATOM 0 HG LEU A 22 4.081 15.410 14.184 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.552 14.880 16.565 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.884 14.437 16.128 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.132 13.176 16.267 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.372 14.729 14.870 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.954 13.026 14.567 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.010 14.182 13.216 1.00 0.00 H new ATOM 291 N ARG A 23 2.404 14.678 10.936 1.00 0.00 N ATOM 292 CA ARG A 23 2.632 15.567 9.804 1.00 0.00 C ATOM 293 C ARG A 23 1.473 16.547 9.653 1.00 0.00 C ATOM 294 O ARG A 23 1.680 17.751 9.504 1.00 0.00 O ATOM 295 CB ARG A 23 2.779 14.748 8.520 1.00 0.00 C ATOM 296 CG ARG A 23 4.084 13.951 8.566 1.00 0.00 C ATOM 297 CD ARG A 23 4.361 13.340 7.191 1.00 0.00 C ATOM 298 NE ARG A 23 3.128 12.813 6.615 1.00 0.00 N ATOM 299 CZ ARG A 23 3.156 11.872 5.677 1.00 0.00 C ATOM 300 NH1 ARG A 23 4.298 11.402 5.257 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.040 11.418 5.176 1.00 0.00 N ATOM 0 H ARG A 23 2.304 13.693 10.690 1.00 0.00 H new ATOM 0 HA ARG A 23 3.548 16.129 9.984 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.932 14.071 8.409 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.775 15.409 7.653 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.909 14.601 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.015 13.164 9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.787 14.094 6.529 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.098 12.542 7.281 1.00 0.00 H new ATOM 0 HE ARG A 23 2.230 13.173 6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.171 11.757 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.318 10.680 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.147 11.785 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.061 10.696 4.456 1.00 0.00 H new ATOM 315 N ILE A 24 0.253 16.022 9.694 1.00 0.00 N ATOM 316 CA ILE A 24 -0.933 16.858 9.563 1.00 0.00 C ATOM 317 C ILE A 24 -1.084 17.769 10.777 1.00 0.00 C ATOM 318 O ILE A 24 -1.474 18.930 10.650 1.00 0.00 O ATOM 319 CB ILE A 24 -2.177 15.979 9.423 1.00 0.00 C ATOM 320 CG1 ILE A 24 -1.937 14.928 8.337 1.00 0.00 C ATOM 321 CG2 ILE A 24 -3.378 16.845 9.035 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.194 14.075 8.162 1.00 0.00 C ATOM 0 H ILE A 24 0.061 15.028 9.816 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.823 17.476 8.672 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.379 15.485 10.373 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.682 15.415 7.396 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.091 14.296 8.609 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.263 16.216 8.936 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.550 17.595 9.807 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.177 17.341 8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.021 13.327 7.388 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.429 13.577 9.102 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.029 14.713 7.871 1.00 0.00 H new ATOM 334 N ALA A 25 -0.771 17.235 11.954 1.00 0.00 N ATOM 335 CA ALA A 25 -0.877 18.009 13.185 1.00 0.00 C ATOM 336 C ALA A 25 0.185 19.104 13.225 1.00 0.00 C ATOM 337 O ALA A 25 -0.100 20.245 13.585 1.00 0.00 O ATOM 338 CB ALA A 25 -0.708 17.089 14.395 1.00 0.00 C ATOM 0 H ALA A 25 -0.444 16.277 12.081 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.862 18.474 13.215 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.788 17.674 15.311 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.486 16.325 14.383 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.271 16.611 14.355 1.00 0.00 H new ATOM 344 N GLN A 26 1.411 18.749 12.856 1.00 0.00 N ATOM 345 CA GLN A 26 2.507 19.710 12.856 1.00 0.00 C ATOM 346 C GLN A 26 2.285 20.783 11.794 1.00 0.00 C ATOM 347 O GLN A 26 2.616 21.951 11.999 1.00 0.00 O ATOM 348 CB GLN A 26 3.832 18.992 12.590 1.00 0.00 C ATOM 349 CG GLN A 26 4.235 18.186 13.827 1.00 0.00 C ATOM 350 CD GLN A 26 4.755 19.122 14.913 1.00 0.00 C ATOM 351 OE1 GLN A 26 5.483 20.070 14.620 1.00 0.00 O ATOM 352 NE2 GLN A 26 4.423 18.910 16.157 1.00 0.00 N ATOM 0 H GLN A 26 1.669 17.809 12.555 1.00 0.00 H new ATOM 0 HA GLN A 26 2.543 20.189 13.835 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.733 18.331 11.729 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.608 19.718 12.347 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.379 17.624 14.200 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.003 17.459 13.563 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.819 18.123 16.397 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.767 19.531 16.890 1.00 0.00 H new ATOM 361 N SER A 27 1.726 20.378 10.658 1.00 0.00 N ATOM 362 CA SER A 27 1.468 21.314 9.569 1.00 0.00 C ATOM 363 C SER A 27 0.324 22.258 9.927 1.00 0.00 C ATOM 364 O SER A 27 0.492 23.476 9.931 1.00 0.00 O ATOM 365 CB SER A 27 1.116 20.547 8.295 1.00 0.00 C ATOM 366 OG SER A 27 0.913 21.470 7.233 1.00 0.00 O ATOM 0 H SER A 27 1.445 19.416 10.468 1.00 0.00 H new ATOM 0 HA SER A 27 2.370 21.903 9.404 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.917 19.853 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.217 19.952 8.452 1.00 0.00 H new ATOM 0 HG SER A 27 0.688 20.982 6.414 1.00 0.00 H new ATOM 372 N GLU A 28 -0.838 21.686 10.225 1.00 0.00 N ATOM 373 CA GLU A 28 -2.002 22.490 10.578 1.00 0.00 C ATOM 374 C GLU A 28 -1.715 23.335 11.816 1.00 0.00 C ATOM 375 O GLU A 28 -2.238 24.440 11.958 1.00 0.00 O ATOM 376 CB GLU A 28 -3.208 21.580 10.836 1.00 0.00 C ATOM 377 CG GLU A 28 -3.024 20.832 12.163 1.00 0.00 C ATOM 378 CD GLU A 28 -3.482 21.700 13.333 1.00 0.00 C ATOM 379 OE1 GLU A 28 -3.940 22.804 13.086 1.00 0.00 O ATOM 380 OE2 GLU A 28 -3.367 21.247 14.459 1.00 0.00 O ATOM 0 H GLU A 28 -0.998 20.679 10.229 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.227 23.157 9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.122 22.173 10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.318 20.867 10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.594 19.903 12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.976 20.560 12.292 1.00 0.00 H new ATOM 387 N ALA A 29 -0.880 22.811 12.708 1.00 0.00 N ATOM 388 CA ALA A 29 -0.534 23.531 13.928 1.00 0.00 C ATOM 389 C ALA A 29 0.375 24.714 13.613 1.00 0.00 C ATOM 390 O ALA A 29 0.164 25.821 14.111 1.00 0.00 O ATOM 391 CB ALA A 29 0.170 22.594 14.911 1.00 0.00 C ATOM 0 H ALA A 29 -0.434 21.899 12.611 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.455 23.902 14.378 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.424 23.142 15.818 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.492 21.765 15.161 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.081 22.206 14.455 1.00 0.00 H new ATOM 397 N GLU A 30 1.387 24.474 12.784 1.00 0.00 N ATOM 398 CA GLU A 30 2.321 25.530 12.412 1.00 0.00 C ATOM 399 C GLU A 30 1.719 26.426 11.335 1.00 0.00 C ATOM 400 O GLU A 30 2.089 27.593 11.205 1.00 0.00 O ATOM 401 CB GLU A 30 3.625 24.915 11.899 1.00 0.00 C ATOM 402 CG GLU A 30 4.378 24.271 13.065 1.00 0.00 C ATOM 403 CD GLU A 30 4.994 25.350 13.948 1.00 0.00 C ATOM 404 OE1 GLU A 30 4.324 25.790 14.867 1.00 0.00 O ATOM 405 OE2 GLU A 30 6.128 25.722 13.691 1.00 0.00 O ATOM 0 H GLU A 30 1.580 23.566 12.361 1.00 0.00 H new ATOM 0 HA GLU A 30 2.527 26.135 13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.411 24.169 11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.243 25.682 11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.697 23.654 13.652 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.158 23.612 12.685 1.00 0.00 H new ATOM 412 N LEU A 31 0.785 25.874 10.568 1.00 0.00 N ATOM 413 CA LEU A 31 0.134 26.633 9.506 1.00 0.00 C ATOM 414 C LEU A 31 1.167 27.349 8.639 1.00 0.00 C ATOM 415 O LEU A 31 0.966 28.496 8.239 1.00 0.00 O ATOM 416 CB LEU A 31 -0.826 27.661 10.115 1.00 0.00 C ATOM 417 CG LEU A 31 -1.837 28.125 9.056 1.00 0.00 C ATOM 418 CD1 LEU A 31 -3.040 27.177 9.037 1.00 0.00 C ATOM 419 CD2 LEU A 31 -2.317 29.540 9.393 1.00 0.00 C ATOM 0 H LEU A 31 0.463 24.910 10.660 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.424 25.937 8.879 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.351 27.223 10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.265 28.515 10.494 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.357 28.122 8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.754 27.511 8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.704 26.168 8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.519 27.177 10.016 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.034 29.869 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.793 29.539 10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.465 30.220 9.404 1.00 0.00 H new ATOM 450 N SER A 33 3.284 25.466 5.891 1.00 0.00 N ATOM 451 CA SER A 33 3.183 24.892 4.555 1.00 0.00 C ATOM 452 C SER A 33 1.755 24.997 4.030 1.00 0.00 C ATOM 453 O SER A 33 1.183 24.014 3.559 1.00 0.00 O ATOM 454 CB SER A 33 3.610 23.425 4.582 1.00 0.00 C ATOM 455 OG SER A 33 4.913 23.326 5.143 1.00 0.00 O ATOM 0 HA SER A 33 3.843 25.451 3.892 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.903 22.839 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.604 23.014 3.573 1.00 0.00 H new ATOM 0 HG SER A 33 5.013 23.989 5.857 1.00 0.00 H new ATOM 461 N ASP A 34 1.184 26.194 4.113 1.00 0.00 N ATOM 462 CA ASP A 34 -0.178 26.412 3.640 1.00 0.00 C ATOM 463 C ASP A 34 -0.351 25.839 2.237 1.00 0.00 C ATOM 464 O ASP A 34 -1.442 25.408 1.863 1.00 0.00 O ATOM 465 CB ASP A 34 -0.493 27.909 3.626 1.00 0.00 C ATOM 466 CG ASP A 34 -1.992 28.123 3.449 1.00 0.00 C ATOM 467 OD1 ASP A 34 -2.536 27.605 2.487 1.00 0.00 O ATOM 468 OD2 ASP A 34 -2.576 28.802 4.277 1.00 0.00 O ATOM 0 H ASP A 34 1.638 27.021 4.500 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.866 25.905 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.159 28.368 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.051 28.396 2.817 1.00 0.00 H new ATOM 473 N GLU A 35 0.734 25.834 1.468 1.00 0.00 N ATOM 474 CA GLU A 35 0.690 25.308 0.108 1.00 0.00 C ATOM 475 C GLU A 35 0.137 23.887 0.105 1.00 0.00 C ATOM 476 O GLU A 35 -0.797 23.576 -0.633 1.00 0.00 O ATOM 477 CB GLU A 35 2.094 25.312 -0.500 1.00 0.00 C ATOM 478 CG GLU A 35 2.047 24.691 -1.898 1.00 0.00 C ATOM 479 CD GLU A 35 3.328 25.019 -2.657 1.00 0.00 C ATOM 480 OE1 GLU A 35 4.364 25.107 -2.021 1.00 0.00 O ATOM 481 OE2 GLU A 35 3.253 25.179 -3.864 1.00 0.00 O ATOM 0 H GLU A 35 1.646 26.185 1.760 1.00 0.00 H new ATOM 0 HA GLU A 35 0.036 25.944 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.475 26.332 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.779 24.751 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.927 23.610 -1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.183 25.070 -2.445 1.00 0.00 H new ATOM 488 N ALA A 36 0.718 23.030 0.937 1.00 0.00 N ATOM 489 CA ALA A 36 0.274 21.645 1.023 1.00 0.00 C ATOM 490 C ALA A 36 -1.231 21.581 1.264 1.00 0.00 C ATOM 491 O ALA A 36 -1.977 21.030 0.455 1.00 0.00 O ATOM 492 CB ALA A 36 1.006 20.928 2.159 1.00 0.00 C ATOM 0 H ALA A 36 1.492 23.268 1.557 1.00 0.00 H new ATOM 0 HA ALA A 36 0.502 21.151 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.667 19.894 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.079 20.948 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.794 21.431 3.103 1.00 0.00 H new ATOM 498 N GLN A 37 -1.672 22.153 2.381 1.00 0.00 N ATOM 499 CA GLN A 37 -3.092 22.155 2.716 1.00 0.00 C ATOM 500 C GLN A 37 -3.928 22.522 1.494 1.00 0.00 C ATOM 501 O GLN A 37 -4.922 21.864 1.189 1.00 0.00 O ATOM 502 CB GLN A 37 -3.362 23.154 3.844 1.00 0.00 C ATOM 503 CG GLN A 37 -2.272 23.034 4.914 1.00 0.00 C ATOM 504 CD GLN A 37 -2.073 21.572 5.299 1.00 0.00 C ATOM 505 OE1 GLN A 37 -1.514 20.796 4.525 1.00 0.00 O ATOM 506 NE2 GLN A 37 -2.500 21.147 6.457 1.00 0.00 N ATOM 0 H GLN A 37 -1.073 22.617 3.064 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.371 21.154 3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.384 24.169 3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.340 22.963 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.337 23.450 4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.550 23.615 5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.963 21.792 7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.370 20.170 6.721 1.00 0.00 H new ATOM 515 N ALA A 38 -3.516 23.577 0.797 1.00 0.00 N ATOM 516 CA ALA A 38 -4.235 24.022 -0.392 1.00 0.00 C ATOM 517 C ALA A 38 -4.261 22.919 -1.446 1.00 0.00 C ATOM 518 O ALA A 38 -5.300 22.645 -2.045 1.00 0.00 O ATOM 519 CB ALA A 38 -3.566 25.269 -0.972 1.00 0.00 C ATOM 0 H ALA A 38 -2.695 24.135 1.032 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.259 24.260 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.109 25.594 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.575 26.066 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.536 25.037 -1.242 1.00 0.00 H new ATOM 525 N ASP A 39 -3.111 22.289 -1.665 1.00 0.00 N ATOM 526 CA ASP A 39 -3.015 21.217 -2.649 1.00 0.00 C ATOM 527 C ASP A 39 -3.970 20.081 -2.300 1.00 0.00 C ATOM 528 O ASP A 39 -4.928 19.817 -3.027 1.00 0.00 O ATOM 529 CB ASP A 39 -1.581 20.682 -2.702 1.00 0.00 C ATOM 530 CG ASP A 39 -0.655 21.735 -3.299 1.00 0.00 C ATOM 531 OD1 ASP A 39 -1.006 22.902 -3.249 1.00 0.00 O ATOM 532 OD2 ASP A 39 0.393 21.359 -3.799 1.00 0.00 O ATOM 0 H ASP A 39 -2.240 22.500 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.289 21.620 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.245 20.417 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.545 19.772 -3.301 1.00 0.00 H new ATOM 537 N LEU A 40 -3.706 19.414 -1.181 1.00 0.00 N ATOM 538 CA LEU A 40 -4.552 18.308 -0.746 1.00 0.00 C ATOM 539 C LEU A 40 -6.026 18.683 -0.875 1.00 0.00 C ATOM 540 O LEU A 40 -6.837 17.896 -1.364 1.00 0.00 O ATOM 541 CB LEU A 40 -4.236 17.948 0.710 1.00 0.00 C ATOM 542 CG LEU A 40 -3.023 17.016 0.759 1.00 0.00 C ATOM 543 CD1 LEU A 40 -1.841 17.677 0.048 1.00 0.00 C ATOM 544 CD2 LEU A 40 -2.650 16.742 2.219 1.00 0.00 C ATOM 0 H LEU A 40 -2.920 19.617 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.351 17.446 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.035 18.853 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.097 17.464 1.170 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.267 16.077 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.977 17.013 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.105 17.874 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.597 18.616 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.786 16.078 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.407 17.682 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.491 16.271 2.727 1.00 0.00 H new ATOM 556 N ALA A 41 -6.365 19.891 -0.435 1.00 0.00 N ATOM 557 CA ALA A 41 -7.745 20.359 -0.508 1.00 0.00 C ATOM 558 C ALA A 41 -8.227 20.381 -1.955 1.00 0.00 C ATOM 559 O ALA A 41 -9.332 19.932 -2.258 1.00 0.00 O ATOM 560 CB ALA A 41 -7.853 21.762 0.091 1.00 0.00 C ATOM 0 H ALA A 41 -5.710 20.558 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.373 19.673 0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.886 22.104 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.537 21.738 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.212 22.446 -0.466 1.00 0.00 H new ATOM 566 N LEU A 42 -7.391 20.905 -2.846 1.00 0.00 N ATOM 567 CA LEU A 42 -7.745 20.979 -4.259 1.00 0.00 C ATOM 568 C LEU A 42 -7.826 19.580 -4.861 1.00 0.00 C ATOM 569 O LEU A 42 -8.719 19.285 -5.656 1.00 0.00 O ATOM 570 CB LEU A 42 -6.703 21.805 -5.020 1.00 0.00 C ATOM 571 CG LEU A 42 -6.894 23.297 -4.712 1.00 0.00 C ATOM 572 CD1 LEU A 42 -5.559 24.030 -4.866 1.00 0.00 C ATOM 573 CD2 LEU A 42 -7.913 23.900 -5.685 1.00 0.00 C ATOM 0 H LEU A 42 -6.471 21.282 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.720 21.460 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.699 21.491 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.800 21.630 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.256 23.406 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.698 25.089 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.830 23.608 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.197 23.916 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.046 24.959 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.552 23.786 -6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.867 23.385 -5.578 1.00 0.00 H new ATOM 585 N ARG A 43 -6.888 18.723 -4.475 1.00 0.00 N ATOM 586 CA ARG A 43 -6.861 17.356 -4.982 1.00 0.00 C ATOM 587 C ARG A 43 -8.063 16.572 -4.467 1.00 0.00 C ATOM 588 O ARG A 43 -8.560 15.666 -5.136 1.00 0.00 O ATOM 589 CB ARG A 43 -5.570 16.661 -4.544 1.00 0.00 C ATOM 590 CG ARG A 43 -5.589 15.203 -5.006 1.00 0.00 C ATOM 591 CD ARG A 43 -4.198 14.592 -4.830 1.00 0.00 C ATOM 592 NE ARG A 43 -3.302 15.070 -5.877 1.00 0.00 N ATOM 593 CZ ARG A 43 -3.288 14.508 -7.080 1.00 0.00 C ATOM 594 NH1 ARG A 43 -4.084 13.507 -7.341 1.00 0.00 N ATOM 595 NH2 ARG A 43 -2.479 14.955 -8.002 1.00 0.00 N ATOM 0 H ARG A 43 -6.141 18.948 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.902 17.391 -6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.707 17.176 -4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.470 16.708 -3.460 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.321 14.638 -4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.893 15.146 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.798 14.856 -3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.263 13.505 -4.866 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.675 15.850 -5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.716 13.157 -6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.074 13.075 -8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.856 15.737 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.469 14.522 -8.926 1.00 0.00 H new ATOM 609 N ARG A 44 -8.526 16.928 -3.273 1.00 0.00 N ATOM 610 CA ARG A 44 -9.670 16.256 -2.673 1.00 0.00 C ATOM 611 C ARG A 44 -10.972 16.890 -3.154 1.00 0.00 C ATOM 612 O ARG A 44 -11.961 16.196 -3.392 1.00 0.00 O ATOM 613 CB ARG A 44 -9.573 16.349 -1.146 1.00 0.00 C ATOM 614 CG ARG A 44 -10.935 16.041 -0.520 1.00 0.00 C ATOM 615 CD ARG A 44 -10.754 15.709 0.963 1.00 0.00 C ATOM 616 NE ARG A 44 -12.033 15.337 1.557 1.00 0.00 N ATOM 617 CZ ARG A 44 -12.131 15.042 2.850 1.00 0.00 C ATOM 618 NH1 ARG A 44 -11.070 15.083 3.609 1.00 0.00 N ATOM 619 NH2 ARG A 44 -13.286 14.712 3.359 1.00 0.00 N ATOM 0 H ARG A 44 -8.127 17.675 -2.705 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.665 15.208 -2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.826 15.647 -0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -9.245 17.347 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -11.601 16.897 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.403 15.203 -1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.041 14.892 1.076 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.338 16.569 1.487 1.00 0.00 H new ATOM 0 HE ARG A 44 -12.867 15.303 0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.167 15.341 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.144 14.857 4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.115 14.680 2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.360 14.486 4.351 1.00 0.00 H new ATOM 633 N SER A 45 -10.964 18.213 -3.297 1.00 0.00 N ATOM 634 CA SER A 45 -12.149 18.933 -3.752 1.00 0.00 C ATOM 635 C SER A 45 -12.050 19.240 -5.243 1.00 0.00 C ATOM 636 O SER A 45 -11.734 20.363 -5.636 1.00 0.00 O ATOM 637 CB SER A 45 -12.296 20.240 -2.972 1.00 0.00 C ATOM 638 OG SER A 45 -12.508 19.944 -1.597 1.00 0.00 O ATOM 0 H SER A 45 -10.155 18.805 -3.106 1.00 0.00 H new ATOM 0 HA SER A 45 -13.022 18.304 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.401 20.851 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.132 20.819 -3.364 1.00 0.00 H new ATOM 0 HG SER A 45 -12.601 20.779 -1.093 1.00 0.00 H new ATOM 644 N LEU A 46 -12.323 18.234 -6.069 1.00 0.00 N ATOM 645 CA LEU A 46 -12.261 18.407 -7.515 1.00 0.00 C ATOM 646 C LEU A 46 -13.408 19.292 -7.995 1.00 0.00 C ATOM 647 O LEU A 46 -13.425 19.736 -9.143 1.00 0.00 O ATOM 648 CB LEU A 46 -12.340 17.040 -8.207 1.00 0.00 C ATOM 649 CG LEU A 46 -11.635 17.101 -9.570 1.00 0.00 C ATOM 650 CD1 LEU A 46 -10.139 16.821 -9.393 1.00 0.00 C ATOM 651 CD2 LEU A 46 -12.236 16.049 -10.505 1.00 0.00 C ATOM 0 H LEU A 46 -12.587 17.297 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.316 18.887 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.874 16.279 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.382 16.750 -8.340 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.771 18.094 -9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.643 16.865 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.705 17.569 -8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.003 15.830 -8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.735 16.093 -11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.102 15.058 -10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.300 16.246 -10.638 1.00 0.00 H new ATOM 663 N ASP A 47 -14.362 19.541 -7.106 1.00 0.00 N ATOM 664 CA ASP A 47 -15.513 20.373 -7.443 1.00 0.00 C ATOM 665 C ASP A 47 -15.079 21.807 -7.733 1.00 0.00 C ATOM 666 O ASP A 47 -15.913 22.703 -7.856 1.00 0.00 O ATOM 667 CB ASP A 47 -16.516 20.368 -6.289 1.00 0.00 C ATOM 668 CG ASP A 47 -16.971 18.942 -5.998 1.00 0.00 C ATOM 669 OD1 ASP A 47 -17.910 18.498 -6.639 1.00 0.00 O ATOM 670 OD2 ASP A 47 -16.375 18.313 -5.139 1.00 0.00 O ATOM 0 H ASP A 47 -14.363 19.182 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.981 19.961 -8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.060 20.802 -5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.376 20.988 -6.541 1.00 0.00 H new ATOM 675 N SER A 48 -13.770 22.017 -7.842 1.00 0.00 N ATOM 676 CA SER A 48 -13.239 23.348 -8.117 1.00 0.00 C ATOM 677 C SER A 48 -14.090 24.061 -9.164 1.00 0.00 C ATOM 678 O SER A 48 -14.497 25.206 -8.972 1.00 0.00 O ATOM 679 CB SER A 48 -11.798 23.242 -8.614 1.00 0.00 C ATOM 680 OG SER A 48 -11.340 24.530 -9.003 1.00 0.00 O ATOM 0 H SER A 48 -13.063 21.289 -7.745 1.00 0.00 H new ATOM 0 HA SER A 48 -13.263 23.926 -7.193 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.159 22.838 -7.829 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.741 22.553 -9.457 1.00 0.00 H new ATOM 0 HG SER A 48 -10.415 24.466 -9.321 1.00 0.00 H new ATOM 894 N THR A 62 -33.686 37.607 -27.110 1.00 0.00 N ATOM 895 CA THR A 62 -34.531 38.643 -27.691 1.00 0.00 C ATOM 896 C THR A 62 -33.969 39.093 -29.041 1.00 0.00 C ATOM 897 O THR A 62 -32.754 39.091 -29.242 1.00 0.00 O ATOM 898 CB THR A 62 -34.609 39.842 -26.743 1.00 0.00 C ATOM 899 OG1 THR A 62 -33.294 40.274 -26.422 1.00 0.00 O ATOM 900 CG2 THR A 62 -35.340 39.437 -25.464 1.00 0.00 C ATOM 0 HA THR A 62 -35.530 38.234 -27.842 1.00 0.00 H new ATOM 0 HB THR A 62 -35.152 40.654 -27.227 1.00 0.00 H new ATOM 0 HG1 THR A 62 -33.341 41.043 -25.816 1.00 0.00 H new ATOM 0 HG21 THR A 62 -35.395 40.292 -24.790 1.00 0.00 H new ATOM 0 HG22 THR A 62 -36.348 39.104 -25.711 1.00 0.00 H new ATOM 0 HG23 THR A 62 -34.799 38.625 -24.977 1.00 0.00 H new ATOM 908 N PRO A 63 -34.819 39.475 -29.962 1.00 0.00 N ATOM 909 CA PRO A 63 -34.384 39.935 -31.309 1.00 0.00 C ATOM 910 C PRO A 63 -33.106 40.771 -31.250 1.00 0.00 C ATOM 911 O PRO A 63 -32.234 40.649 -32.109 1.00 0.00 O ATOM 912 CB PRO A 63 -35.568 40.772 -31.790 1.00 0.00 C ATOM 913 CG PRO A 63 -36.769 40.171 -31.128 1.00 0.00 C ATOM 914 CD PRO A 63 -36.285 39.516 -29.826 1.00 0.00 C ATOM 0 HA PRO A 63 -34.140 39.105 -31.973 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -35.448 41.819 -31.513 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -35.659 40.738 -32.876 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -37.517 40.936 -30.920 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -37.239 39.434 -31.779 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -36.587 40.095 -28.953 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -36.701 38.516 -29.705 1.00 0.00 H new ATOM 922 N GLU A 64 -33.006 41.616 -30.229 1.00 0.00 N ATOM 923 CA GLU A 64 -31.832 42.468 -30.068 1.00 0.00 C ATOM 924 C GLU A 64 -30.582 41.624 -29.838 1.00 0.00 C ATOM 925 O GLU A 64 -29.513 41.924 -30.368 1.00 0.00 O ATOM 926 CB GLU A 64 -32.036 43.414 -28.883 1.00 0.00 C ATOM 927 CG GLU A 64 -30.986 44.526 -28.930 1.00 0.00 C ATOM 928 CD GLU A 64 -31.237 45.528 -27.807 1.00 0.00 C ATOM 929 OE1 GLU A 64 -30.707 45.322 -26.728 1.00 0.00 O ATOM 930 OE2 GLU A 64 -31.954 46.486 -28.044 1.00 0.00 O ATOM 0 H GLU A 64 -33.717 41.729 -29.506 1.00 0.00 H new ATOM 0 HA GLU A 64 -31.699 43.049 -30.981 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -33.037 43.843 -28.915 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -31.955 42.863 -27.946 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -29.988 44.099 -28.832 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -31.023 45.032 -29.895 1.00 0.00 H new ATOM 937 N GLN A 65 -30.724 40.568 -29.043 1.00 0.00 N ATOM 938 CA GLN A 65 -29.596 39.689 -28.749 1.00 0.00 C ATOM 939 C GLN A 65 -29.141 38.958 -30.010 1.00 0.00 C ATOM 940 O GLN A 65 -28.045 39.196 -30.515 1.00 0.00 O ATOM 941 CB GLN A 65 -29.994 38.667 -27.681 1.00 0.00 C ATOM 942 CG GLN A 65 -30.130 39.371 -26.329 1.00 0.00 C ATOM 943 CD GLN A 65 -30.419 38.347 -25.236 1.00 0.00 C ATOM 944 OE1 GLN A 65 -29.813 37.192 -25.261 1.00 0.00 O flip ATOM 945 NE2 GLN A 65 -31.218 38.606 -24.336 1.00 0.00 N flip ATOM 0 H GLN A 65 -31.600 40.301 -28.594 1.00 0.00 H new ATOM 0 HA GLN A 65 -28.772 40.299 -28.379 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -30.936 38.190 -27.951 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -29.244 37.879 -27.619 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -29.213 39.913 -26.098 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -30.933 40.107 -26.372 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -31.691 39.510 -24.318 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -31.407 37.917 -23.608 1.00 0.00 H new ATOM 954 N MET A 66 -29.990 38.066 -30.510 1.00 0.00 N ATOM 955 CA MET A 66 -29.662 37.305 -31.711 1.00 0.00 C ATOM 956 C MET A 66 -29.180 38.234 -32.821 1.00 0.00 C ATOM 957 O MET A 66 -28.213 37.931 -33.520 1.00 0.00 O ATOM 958 CB MET A 66 -30.889 36.521 -32.187 1.00 0.00 C ATOM 959 CG MET A 66 -32.139 37.395 -32.056 1.00 0.00 C ATOM 960 SD MET A 66 -33.543 36.558 -32.834 1.00 0.00 S ATOM 961 CE MET A 66 -33.352 37.274 -34.485 1.00 0.00 C ATOM 0 H MET A 66 -30.902 37.853 -30.107 1.00 0.00 H new ATOM 0 HA MET A 66 -28.861 36.607 -31.468 1.00 0.00 H new ATOM 0 HB2 MET A 66 -30.756 36.212 -33.224 1.00 0.00 H new ATOM 0 HB3 MET A 66 -31.004 35.613 -31.596 1.00 0.00 H new ATOM 0 HG2 MET A 66 -32.353 37.587 -31.005 1.00 0.00 H new ATOM 0 HG3 MET A 66 -31.971 38.363 -32.529 1.00 0.00 H new ATOM 0 HE1 MET A 66 -34.131 36.887 -35.142 1.00 0.00 H new ATOM 0 HE2 MET A 66 -33.436 38.359 -34.423 1.00 0.00 H new ATOM 0 HE3 MET A 66 -32.374 37.008 -34.886 1.00 0.00 H new ATOM 971 N ALA A 67 -29.859 39.366 -32.980 1.00 0.00 N ATOM 972 CA ALA A 67 -29.487 40.329 -34.010 1.00 0.00 C ATOM 973 C ALA A 67 -28.054 40.808 -33.804 1.00 0.00 C ATOM 974 O ALA A 67 -27.192 40.602 -34.657 1.00 0.00 O ATOM 975 CB ALA A 67 -30.439 41.526 -33.976 1.00 0.00 C ATOM 0 H ALA A 67 -30.663 39.637 -32.414 1.00 0.00 H new ATOM 0 HA ALA A 67 -29.557 39.839 -34.981 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -30.154 42.240 -34.749 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -31.459 41.185 -34.156 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -30.384 42.007 -32.999 1.00 0.00 H new ATOM 981 N LYS A 68 -27.809 41.448 -32.666 1.00 0.00 N ATOM 982 CA LYS A 68 -26.476 41.953 -32.359 1.00 0.00 C ATOM 983 C LYS A 68 -25.422 40.890 -32.651 1.00 0.00 C ATOM 984 O LYS A 68 -24.429 41.156 -33.329 1.00 0.00 O ATOM 985 CB LYS A 68 -26.399 42.358 -30.885 1.00 0.00 C ATOM 986 CG LYS A 68 -25.077 43.081 -30.622 1.00 0.00 C ATOM 987 CD LYS A 68 -25.089 43.669 -29.210 1.00 0.00 C ATOM 988 CE LYS A 68 -23.722 44.285 -28.902 1.00 0.00 C ATOM 989 NZ LYS A 68 -23.764 44.949 -27.569 1.00 0.00 N ATOM 0 H LYS A 68 -28.509 41.628 -31.946 1.00 0.00 H new ATOM 0 HA LYS A 68 -26.283 42.823 -32.986 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -27.237 43.007 -30.631 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -26.475 41.475 -30.250 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -24.243 42.388 -30.732 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.931 43.873 -31.356 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -25.868 44.427 -29.127 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -25.322 42.891 -28.483 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -22.953 43.513 -28.911 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -23.456 45.009 -29.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.835 45.367 -27.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -24.487 45.697 -27.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -24.000 44.247 -26.839 1.00 0.00 H new ATOM 1003 N GLU A 69 -25.645 39.686 -32.136 1.00 0.00 N ATOM 1004 CA GLU A 69 -24.708 38.589 -32.350 1.00 0.00 C ATOM 1005 C GLU A 69 -24.509 38.335 -33.841 1.00 0.00 C ATOM 1006 O GLU A 69 -23.390 38.402 -34.347 1.00 0.00 O ATOM 1007 CB GLU A 69 -25.231 37.318 -31.678 1.00 0.00 C ATOM 1008 CG GLU A 69 -25.157 37.476 -30.158 1.00 0.00 C ATOM 1009 CD GLU A 69 -23.710 37.356 -29.691 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -23.206 36.246 -29.671 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -23.128 38.376 -29.360 1.00 0.00 O ATOM 0 H GLU A 69 -26.460 39.446 -31.572 1.00 0.00 H new ATOM 0 HA GLU A 69 -23.749 38.864 -31.911 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.260 37.129 -31.985 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.641 36.458 -31.994 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -25.563 38.444 -29.865 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -25.768 36.714 -29.675 1.00 0.00 H new ATOM 1018 N MET A 70 -25.603 38.043 -34.538 1.00 0.00 N ATOM 1019 CA MET A 70 -25.535 37.781 -35.970 1.00 0.00 C ATOM 1020 C MET A 70 -24.731 38.869 -36.675 1.00 0.00 C ATOM 1021 O MET A 70 -23.780 38.581 -37.401 1.00 0.00 O ATOM 1022 CB MET A 70 -26.945 37.725 -36.560 1.00 0.00 C ATOM 1023 CG MET A 70 -27.628 36.425 -36.133 1.00 0.00 C ATOM 1024 SD MET A 70 -29.376 36.481 -36.599 1.00 0.00 S ATOM 1025 CE MET A 70 -29.793 34.787 -36.117 1.00 0.00 C ATOM 0 H MET A 70 -26.539 37.982 -34.138 1.00 0.00 H new ATOM 0 HA MET A 70 -25.040 36.822 -36.121 1.00 0.00 H new ATOM 0 HB2 MET A 70 -27.527 38.582 -36.220 1.00 0.00 H new ATOM 0 HB3 MET A 70 -26.898 37.783 -37.647 1.00 0.00 H new ATOM 0 HG2 MET A 70 -27.141 35.573 -36.608 1.00 0.00 H new ATOM 0 HG3 MET A 70 -27.532 36.288 -35.056 1.00 0.00 H new ATOM 0 HE1 MET A 70 -30.847 34.600 -36.321 1.00 0.00 H new ATOM 0 HE2 MET A 70 -29.183 34.086 -36.687 1.00 0.00 H new ATOM 0 HE3 MET A 70 -29.600 34.654 -35.052 1.00 0.00 H new ATOM 1035 N SER A 71 -25.119 40.121 -36.455 1.00 0.00 N ATOM 1036 CA SER A 71 -24.428 41.245 -37.073 1.00 0.00 C ATOM 1037 C SER A 71 -22.946 41.226 -36.712 1.00 0.00 C ATOM 1038 O SER A 71 -22.091 41.536 -37.541 1.00 0.00 O ATOM 1039 CB SER A 71 -25.052 42.560 -36.609 1.00 0.00 C ATOM 1040 OG SER A 71 -24.159 43.630 -36.892 1.00 0.00 O ATOM 0 H SER A 71 -25.903 40.381 -35.857 1.00 0.00 H new ATOM 0 HA SER A 71 -24.528 41.159 -38.155 1.00 0.00 H new ATOM 0 HB2 SER A 71 -26.004 42.722 -37.114 1.00 0.00 H new ATOM 0 HB3 SER A 71 -25.262 42.519 -35.540 1.00 0.00 H new ATOM 0 HG SER A 71 -24.557 44.475 -36.597 1.00 0.00 H new ATOM 1046 N GLU A 72 -22.650 40.863 -35.468 1.00 0.00 N ATOM 1047 CA GLU A 72 -21.268 40.808 -35.006 1.00 0.00 C ATOM 1048 C GLU A 72 -20.596 39.521 -35.477 1.00 0.00 C ATOM 1049 O GLU A 72 -19.372 39.445 -35.567 1.00 0.00 O ATOM 1050 CB GLU A 72 -21.223 40.881 -33.479 1.00 0.00 C ATOM 1051 CG GLU A 72 -21.514 42.313 -33.025 1.00 0.00 C ATOM 1052 CD GLU A 72 -21.466 42.399 -31.504 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -21.398 41.357 -30.874 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -21.497 43.506 -30.992 1.00 0.00 O ATOM 0 H GLU A 72 -23.343 40.604 -34.766 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.731 41.659 -35.425 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -21.955 40.197 -33.050 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.244 40.566 -33.118 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.784 42.996 -33.459 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -22.495 42.625 -33.384 1.00 0.00 H new ATOM 1061 N PHE A 73 -21.407 38.510 -35.774 1.00 0.00 N ATOM 1062 CA PHE A 73 -20.880 37.230 -36.233 1.00 0.00 C ATOM 1063 C PHE A 73 -20.575 37.280 -37.727 1.00 0.00 C ATOM 1064 O PHE A 73 -19.435 37.078 -38.145 1.00 0.00 O ATOM 1065 CB PHE A 73 -21.893 36.118 -35.954 1.00 0.00 C ATOM 1066 CG PHE A 73 -21.219 34.773 -36.097 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -20.604 34.178 -34.989 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -21.209 34.124 -37.337 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -19.980 32.932 -35.121 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -20.584 32.877 -37.469 1.00 0.00 C ATOM 1071 CZ PHE A 73 -19.969 32.282 -36.361 1.00 0.00 C ATOM 0 H PHE A 73 -22.424 38.552 -35.706 1.00 0.00 H new ATOM 0 HA PHE A 73 -19.956 37.024 -35.692 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -22.301 36.227 -34.949 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -22.731 36.192 -36.648 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -20.611 34.680 -34.033 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -21.683 34.584 -38.192 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -19.507 32.472 -34.266 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -20.577 32.375 -38.425 1.00 0.00 H new ATOM 0 HZ PHE A 73 -19.486 31.321 -36.463 1.00 0.00 H new ATOM 1081 N LEU A 74 -21.601 37.552 -38.527 1.00 0.00 N ATOM 1082 CA LEU A 74 -21.431 37.626 -39.974 1.00 0.00 C ATOM 1083 C LEU A 74 -20.227 38.495 -40.325 1.00 0.00 C ATOM 1084 O LEU A 74 -19.751 38.484 -41.461 1.00 0.00 O ATOM 1085 CB LEU A 74 -22.690 38.209 -40.621 1.00 0.00 C ATOM 1086 CG LEU A 74 -23.907 37.352 -40.257 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -25.188 38.148 -40.511 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -23.923 36.080 -41.113 1.00 0.00 C ATOM 0 H LEU A 74 -22.552 37.724 -38.201 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.263 36.618 -40.354 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -22.842 39.234 -40.283 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -22.570 38.245 -41.704 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.848 37.078 -39.204 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -26.053 37.538 -40.252 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -25.184 39.050 -39.899 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -25.242 38.425 -41.564 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.791 35.475 -40.849 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.977 36.352 -42.167 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.013 35.508 -40.932 1.00 0.00 H new