USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=7 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 27 SER OG : rot -79:sc= 0.294 USER MOD Set 1.2: A 33 SER OG : rot 23:sc= 0.95 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 7 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 8 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.28) USER MOD Single : A 13 GLN : amide:sc= -0.833 K(o=-0.83,f=-0.19) USER MOD Single : A 26 GLN : amide:sc= -0.246 K(o=-0.25,f=-1) USER MOD Single : A 37 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.12) USER MOD Single : A 45 SER OG : rot 24:sc= 0.931 USER MOD Single : A 48 SER OG : rot -69:sc= 0.994 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 65 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.71) USER MOD Single : A 66 MET CE :methyl -157:sc= -0.156 (180deg=-1.29) 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 2.251 -10.582 12.686 1.00 0.00 N ATOM 2 CA GLN A 6 1.394 -9.413 12.850 1.00 0.00 C ATOM 3 C GLN A 6 2.216 -8.203 13.279 1.00 0.00 C ATOM 4 O GLN A 6 1.884 -7.065 12.948 1.00 0.00 O ATOM 5 CB GLN A 6 0.315 -9.699 13.897 1.00 0.00 C ATOM 6 CG GLN A 6 -0.586 -8.472 14.051 1.00 0.00 C ATOM 7 CD GLN A 6 -1.778 -8.810 14.940 1.00 0.00 C ATOM 8 OE1 GLN A 6 -1.622 -9.479 15.963 1.00 0.00 O ATOM 9 NE2 GLN A 6 -2.968 -8.387 14.610 1.00 0.00 N ATOM 0 HA GLN A 6 0.921 -9.195 11.893 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.278 -10.563 13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.777 -9.946 14.853 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.020 -7.647 14.485 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.934 -8.141 13.073 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.096 -7.833 13.763 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.770 -8.610 15.199 1.00 0.00 H new ATOM 18 N GLN A 7 3.291 -8.458 14.019 1.00 0.00 N ATOM 19 CA GLN A 7 4.156 -7.383 14.490 1.00 0.00 C ATOM 20 C GLN A 7 4.400 -6.364 13.381 1.00 0.00 C ATOM 21 O GLN A 7 4.064 -5.188 13.519 1.00 0.00 O ATOM 22 CB GLN A 7 5.493 -7.960 14.960 1.00 0.00 C ATOM 23 CG GLN A 7 5.290 -8.708 16.280 1.00 0.00 C ATOM 24 CD GLN A 7 5.116 -7.712 17.422 1.00 0.00 C ATOM 25 OE1 GLN A 7 6.054 -6.996 17.770 1.00 0.00 O ATOM 26 NE2 GLN A 7 3.963 -7.623 18.029 1.00 0.00 N ATOM 0 H GLN A 7 3.582 -9.393 14.304 1.00 0.00 H new ATOM 0 HA GLN A 7 3.662 -6.882 15.323 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.895 -8.635 14.205 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.221 -7.159 15.092 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.413 -9.352 16.211 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.146 -9.354 16.477 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.187 -8.218 17.739 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.839 -6.959 18.793 1.00 0.00 H new ATOM 35 N GLN A 8 4.985 -6.823 12.280 1.00 0.00 N ATOM 36 CA GLN A 8 5.268 -5.940 11.154 1.00 0.00 C ATOM 37 C GLN A 8 4.025 -5.139 10.774 1.00 0.00 C ATOM 38 O GLN A 8 4.120 -3.970 10.403 1.00 0.00 O ATOM 39 CB GLN A 8 5.735 -6.764 9.951 1.00 0.00 C ATOM 40 CG GLN A 8 7.171 -7.242 10.179 1.00 0.00 C ATOM 41 CD GLN A 8 8.152 -6.108 9.895 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.739 -6.050 8.814 1.00 0.00 O ATOM 43 NE2 GLN A 8 8.366 -5.199 10.806 1.00 0.00 N ATOM 0 H GLN A 8 5.270 -7.793 12.143 1.00 0.00 H new ATOM 0 HA GLN A 8 6.056 -5.247 11.448 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.075 -7.620 9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.681 -6.163 9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.289 -7.587 11.206 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.387 -8.091 9.531 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.879 -5.249 11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.021 -4.438 10.624 1.00 0.00 H new ATOM 52 N ALA A 9 2.864 -5.778 10.866 1.00 0.00 N ATOM 53 CA ALA A 9 1.609 -5.116 10.524 1.00 0.00 C ATOM 54 C ALA A 9 1.314 -3.978 11.497 1.00 0.00 C ATOM 55 O ALA A 9 1.321 -2.807 11.117 1.00 0.00 O ATOM 56 CB ALA A 9 0.461 -6.127 10.551 1.00 0.00 C ATOM 0 H ALA A 9 2.765 -6.746 11.172 1.00 0.00 H new ATOM 0 HA ALA A 9 1.703 -4.700 9.521 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.472 -5.625 10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.657 -6.919 9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.379 -6.558 11.549 1.00 0.00 H new ATOM 62 N VAL A 10 1.048 -4.329 12.751 1.00 0.00 N ATOM 63 CA VAL A 10 0.746 -3.325 13.765 1.00 0.00 C ATOM 64 C VAL A 10 1.882 -2.312 13.878 1.00 0.00 C ATOM 65 O VAL A 10 1.645 -1.104 13.891 1.00 0.00 O ATOM 66 CB VAL A 10 0.513 -3.997 15.121 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.721 -4.860 15.485 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.315 -2.923 16.194 1.00 0.00 C ATOM 0 H VAL A 10 1.035 -5.292 13.087 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.161 -2.799 13.465 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.375 -4.626 15.063 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.550 -5.336 16.451 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.864 -5.626 14.723 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.612 -4.234 15.541 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.149 -3.400 17.160 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.204 -2.294 16.248 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.549 -2.309 15.939 1.00 0.00 H new ATOM 78 N LEU A 11 3.113 -2.806 13.958 1.00 0.00 N ATOM 79 CA LEU A 11 4.269 -1.923 14.068 1.00 0.00 C ATOM 80 C LEU A 11 4.262 -0.893 12.944 1.00 0.00 C ATOM 81 O LEU A 11 4.213 0.312 13.194 1.00 0.00 O ATOM 82 CB LEU A 11 5.566 -2.736 14.005 1.00 0.00 C ATOM 83 CG LEU A 11 5.729 -3.567 15.285 1.00 0.00 C ATOM 84 CD1 LEU A 11 6.942 -4.488 15.136 1.00 0.00 C ATOM 85 CD2 LEU A 11 5.937 -2.639 16.492 1.00 0.00 C ATOM 0 H LEU A 11 3.335 -3.801 13.949 1.00 0.00 H new ATOM 0 HA LEU A 11 4.213 -1.406 15.026 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.551 -3.393 13.135 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.418 -2.067 13.885 1.00 0.00 H new ATOM 0 HG LEU A 11 4.830 -4.162 15.445 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.062 -5.081 16.043 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.792 -5.153 14.285 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.837 -3.887 14.974 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.052 -3.238 17.396 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.833 -2.038 16.339 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.074 -1.982 16.599 1.00 0.00 H new ATOM 97 N GLU A 12 4.312 -1.372 11.705 1.00 0.00 N ATOM 98 CA GLU A 12 4.310 -0.480 10.552 1.00 0.00 C ATOM 99 C GLU A 12 3.114 0.465 10.608 1.00 0.00 C ATOM 100 O GLU A 12 3.238 1.656 10.321 1.00 0.00 O ATOM 101 CB GLU A 12 4.257 -1.296 9.258 1.00 0.00 C ATOM 102 CG GLU A 12 5.582 -2.035 9.063 1.00 0.00 C ATOM 103 CD GLU A 12 5.417 -3.139 8.023 1.00 0.00 C ATOM 104 OE1 GLU A 12 4.302 -3.330 7.565 1.00 0.00 O ATOM 105 OE2 GLU A 12 6.407 -3.774 7.700 1.00 0.00 O ATOM 0 H GLU A 12 4.354 -2.365 11.475 1.00 0.00 H new ATOM 0 HA GLU A 12 5.227 0.109 10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.434 -2.009 9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.067 -0.639 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.354 -1.335 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.912 -2.463 10.010 1.00 0.00 H new ATOM 112 N GLN A 13 1.958 -0.074 10.979 1.00 0.00 N ATOM 113 CA GLN A 13 0.744 0.731 11.068 1.00 0.00 C ATOM 114 C GLN A 13 0.897 1.816 12.127 1.00 0.00 C ATOM 115 O GLN A 13 0.569 2.979 11.889 1.00 0.00 O ATOM 116 CB GLN A 13 -0.449 -0.162 11.416 1.00 0.00 C ATOM 117 CG GLN A 13 -1.748 0.623 11.220 1.00 0.00 C ATOM 118 CD GLN A 13 -1.997 0.854 9.734 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.115 -0.101 8.967 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.085 2.074 9.278 1.00 0.00 N ATOM 0 H GLN A 13 1.835 -1.057 11.221 1.00 0.00 H new ATOM 0 HA GLN A 13 0.573 1.206 10.102 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.449 -1.050 10.784 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.371 -0.505 12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.583 0.075 11.656 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.687 1.579 11.740 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.987 2.865 9.915 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.252 2.236 8.285 1.00 0.00 H new ATOM 129 N GLU A 14 1.395 1.430 13.298 1.00 0.00 N ATOM 130 CA GLU A 14 1.586 2.383 14.385 1.00 0.00 C ATOM 131 C GLU A 14 2.513 3.512 13.949 1.00 0.00 C ATOM 132 O GLU A 14 2.148 4.686 14.012 1.00 0.00 O ATOM 133 CB GLU A 14 2.178 1.673 15.605 1.00 0.00 C ATOM 134 CG GLU A 14 1.095 0.828 16.280 1.00 0.00 C ATOM 135 CD GLU A 14 1.721 -0.064 17.346 1.00 0.00 C ATOM 136 OE1 GLU A 14 2.718 -0.701 17.048 1.00 0.00 O ATOM 137 OE2 GLU A 14 1.194 -0.098 18.446 1.00 0.00 O ATOM 0 H GLU A 14 1.671 0.473 13.517 1.00 0.00 H new ATOM 0 HA GLU A 14 0.616 2.806 14.648 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.012 1.040 15.301 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.574 2.405 16.309 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.344 1.477 16.731 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.583 0.217 15.537 1.00 0.00 H new ATOM 144 N ARG A 15 3.711 3.149 13.504 1.00 0.00 N ATOM 145 CA ARG A 15 4.680 4.142 13.057 1.00 0.00 C ATOM 146 C ARG A 15 4.042 5.095 12.051 1.00 0.00 C ATOM 147 O ARG A 15 4.080 6.313 12.224 1.00 0.00 O ATOM 148 CB ARG A 15 5.882 3.448 12.414 1.00 0.00 C ATOM 149 CG ARG A 15 6.730 2.780 13.499 1.00 0.00 C ATOM 150 CD ARG A 15 7.995 2.193 12.870 1.00 0.00 C ATOM 151 NE ARG A 15 8.962 1.852 13.908 1.00 0.00 N ATOM 152 CZ ARG A 15 10.262 1.773 13.637 1.00 0.00 C ATOM 153 NH1 ARG A 15 10.691 2.004 12.426 1.00 0.00 N ATOM 154 NH2 ARG A 15 11.107 1.468 14.582 1.00 0.00 N ATOM 0 H ARG A 15 4.032 2.183 13.443 1.00 0.00 H new ATOM 0 HA ARG A 15 5.013 4.714 13.923 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.543 2.704 11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.482 4.173 11.864 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.996 3.507 14.266 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.157 1.994 13.990 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.743 1.304 12.291 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.433 2.912 12.177 1.00 0.00 H new ATOM 0 HE ARG A 15 8.636 1.671 14.857 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.030 2.245 11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.688 1.944 12.218 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.771 1.290 15.529 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.104 1.407 14.375 1.00 0.00 H new ATOM 168 N ARG A 16 3.456 4.530 11.000 1.00 0.00 N ATOM 169 CA ARG A 16 2.811 5.339 9.973 1.00 0.00 C ATOM 170 C ARG A 16 1.706 6.196 10.580 1.00 0.00 C ATOM 171 O ARG A 16 1.650 7.405 10.358 1.00 0.00 O ATOM 172 CB ARG A 16 2.220 4.432 8.890 1.00 0.00 C ATOM 173 CG ARG A 16 1.899 5.264 7.645 1.00 0.00 C ATOM 174 CD ARG A 16 1.075 4.424 6.667 1.00 0.00 C ATOM 175 NE ARG A 16 -0.305 4.322 7.128 1.00 0.00 N ATOM 176 CZ ARG A 16 -1.281 3.963 6.301 1.00 0.00 C ATOM 177 NH1 ARG A 16 -1.012 3.691 5.053 1.00 0.00 N ATOM 178 NH2 ARG A 16 -2.509 3.879 6.737 1.00 0.00 N ATOM 0 H ARG A 16 3.415 3.524 10.838 1.00 0.00 H new ATOM 0 HA ARG A 16 3.560 5.995 9.530 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.926 3.640 8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.316 3.948 9.260 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.346 6.160 7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.822 5.595 7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.102 4.876 5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.510 3.429 6.575 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.525 4.530 8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.053 3.754 4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.761 3.415 4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.719 4.089 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.258 3.603 6.102 1.00 0.00 H new ATOM 192 N ASP A 17 0.826 5.561 11.349 1.00 0.00 N ATOM 193 CA ASP A 17 -0.275 6.276 11.984 1.00 0.00 C ATOM 194 C ASP A 17 0.231 7.544 12.665 1.00 0.00 C ATOM 195 O ASP A 17 -0.307 8.630 12.453 1.00 0.00 O ATOM 196 CB ASP A 17 -0.955 5.377 13.017 1.00 0.00 C ATOM 197 CG ASP A 17 -2.181 6.077 13.593 1.00 0.00 C ATOM 198 OD1 ASP A 17 -2.029 6.781 14.576 1.00 0.00 O ATOM 199 OD2 ASP A 17 -3.254 5.900 13.040 1.00 0.00 O ATOM 0 H ASP A 17 0.853 4.561 11.546 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.995 6.553 11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.248 4.435 12.554 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.255 5.135 13.817 1.00 0.00 H new ATOM 204 N ARG A 18 1.268 7.397 13.484 1.00 0.00 N ATOM 205 CA ARG A 18 1.837 8.538 14.192 1.00 0.00 C ATOM 206 C ARG A 18 2.386 9.564 13.205 1.00 0.00 C ATOM 207 O ARG A 18 2.104 10.757 13.316 1.00 0.00 O ATOM 208 CB ARG A 18 2.959 8.069 15.121 1.00 0.00 C ATOM 209 CG ARG A 18 2.376 7.177 16.219 1.00 0.00 C ATOM 210 CD ARG A 18 3.414 6.981 17.324 1.00 0.00 C ATOM 211 NE ARG A 18 4.692 6.575 16.751 1.00 0.00 N ATOM 212 CZ ARG A 18 5.829 6.734 17.422 1.00 0.00 C ATOM 213 NH1 ARG A 18 5.813 7.262 18.615 1.00 0.00 N ATOM 214 NH2 ARG A 18 6.959 6.362 16.887 1.00 0.00 N ATOM 0 H ARG A 18 1.728 6.506 13.673 1.00 0.00 H new ATOM 0 HA ARG A 18 1.048 9.005 14.781 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.710 7.520 14.553 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.461 8.929 15.565 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.474 7.631 16.630 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.086 6.212 15.803 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.537 7.907 17.885 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.067 6.225 18.029 1.00 0.00 H new ATOM 0 HE ARG A 18 4.714 6.162 15.819 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.929 7.552 19.032 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.685 7.384 19.130 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.970 5.949 15.954 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.831 6.484 17.401 1.00 0.00 H new ATOM 228 N GLU A 19 3.169 9.092 12.240 1.00 0.00 N ATOM 229 CA GLU A 19 3.751 9.981 11.240 1.00 0.00 C ATOM 230 C GLU A 19 2.682 10.894 10.648 1.00 0.00 C ATOM 231 O GLU A 19 2.716 12.110 10.839 1.00 0.00 O ATOM 232 CB GLU A 19 4.399 9.160 10.123 1.00 0.00 C ATOM 233 CG GLU A 19 5.698 8.535 10.635 1.00 0.00 C ATOM 234 CD GLU A 19 6.766 9.612 10.795 1.00 0.00 C ATOM 235 OE1 GLU A 19 7.053 10.284 9.818 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.283 9.748 11.892 1.00 0.00 O ATOM 0 H GLU A 19 3.414 8.108 12.129 1.00 0.00 H new ATOM 0 HA GLU A 19 4.510 10.595 11.725 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.716 8.380 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.604 9.796 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.522 8.041 11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.042 7.770 9.939 1.00 0.00 H new ATOM 243 N LEU A 20 1.732 10.300 9.932 1.00 0.00 N ATOM 244 CA LEU A 20 0.658 11.072 9.319 1.00 0.00 C ATOM 245 C LEU A 20 -0.050 11.928 10.365 1.00 0.00 C ATOM 246 O LEU A 20 -0.070 13.155 10.265 1.00 0.00 O ATOM 247 CB LEU A 20 -0.350 10.127 8.655 1.00 0.00 C ATOM 248 CG LEU A 20 0.172 9.695 7.283 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.589 9.135 7.425 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.746 8.613 6.707 1.00 0.00 C ATOM 0 H LEU A 20 1.684 9.295 9.763 1.00 0.00 H new ATOM 0 HA LEU A 20 1.090 11.729 8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.512 9.252 9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.314 10.625 8.548 1.00 0.00 H new ATOM 0 HG LEU A 20 0.188 10.556 6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.959 8.828 6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.244 9.903 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.575 8.274 8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.376 8.304 5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.761 7.754 7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.756 9.010 6.603 1.00 0.00 H new ATOM 262 N ALA A 21 -0.628 11.274 11.367 1.00 0.00 N ATOM 263 CA ALA A 21 -1.334 11.988 12.427 1.00 0.00 C ATOM 264 C ALA A 21 -0.555 13.232 12.846 1.00 0.00 C ATOM 265 O ALA A 21 -1.141 14.278 13.126 1.00 0.00 O ATOM 266 CB ALA A 21 -1.525 11.072 13.637 1.00 0.00 C ATOM 0 H ALA A 21 -0.623 10.259 11.468 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.308 12.294 12.046 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.052 11.613 14.423 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.107 10.199 13.344 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.551 10.751 14.008 1.00 0.00 H new ATOM 272 N LEU A 22 0.768 13.110 12.883 1.00 0.00 N ATOM 273 CA LEU A 22 1.617 14.230 13.267 1.00 0.00 C ATOM 274 C LEU A 22 1.632 15.287 12.167 1.00 0.00 C ATOM 275 O LEU A 22 1.521 16.482 12.439 1.00 0.00 O ATOM 276 CB LEU A 22 3.045 13.739 13.526 1.00 0.00 C ATOM 277 CG LEU A 22 3.857 14.840 14.225 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.626 14.779 15.738 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.346 14.635 13.935 1.00 0.00 C ATOM 0 H LEU A 22 1.272 12.253 12.653 1.00 0.00 H new ATOM 0 HA LEU A 22 1.216 14.673 14.178 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.024 12.842 14.145 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.521 13.466 12.585 1.00 0.00 H new ATOM 0 HG LEU A 22 3.537 15.812 13.850 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.205 15.563 16.226 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.567 14.925 15.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.941 13.806 16.115 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.924 15.415 14.430 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.658 13.660 14.308 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.517 14.684 12.860 1.00 0.00 H new ATOM 291 N ARG A 23 1.765 14.836 10.925 1.00 0.00 N ATOM 292 CA ARG A 23 1.790 15.752 9.790 1.00 0.00 C ATOM 293 C ARG A 23 0.488 16.542 9.714 1.00 0.00 C ATOM 294 O ARG A 23 0.498 17.769 9.627 1.00 0.00 O ATOM 295 CB ARG A 23 1.992 14.970 8.491 1.00 0.00 C ATOM 296 CG ARG A 23 3.411 14.398 8.453 1.00 0.00 C ATOM 297 CD ARG A 23 3.698 13.834 7.060 1.00 0.00 C ATOM 298 NE ARG A 23 2.507 13.183 6.524 1.00 0.00 N ATOM 299 CZ ARG A 23 2.379 12.952 5.221 1.00 0.00 C ATOM 300 NH1 ARG A 23 3.326 13.310 4.398 1.00 0.00 N ATOM 301 NH2 ARG A 23 1.305 12.368 4.765 1.00 0.00 N ATOM 0 H ARG A 23 1.856 13.850 10.679 1.00 0.00 H new ATOM 0 HA ARG A 23 2.618 16.448 9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.262 14.164 8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.828 15.622 7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.134 15.176 8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.519 13.615 9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.014 14.636 6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.520 13.120 7.111 1.00 0.00 H new ATOM 0 HE ARG A 23 1.761 12.901 7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.165 13.767 4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.227 13.132 3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.564 12.089 5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.206 12.191 3.765 1.00 0.00 H new ATOM 315 N ILE A 24 -0.633 15.829 9.751 1.00 0.00 N ATOM 316 CA ILE A 24 -1.940 16.473 9.688 1.00 0.00 C ATOM 317 C ILE A 24 -2.146 17.376 10.900 1.00 0.00 C ATOM 318 O ILE A 24 -2.653 18.491 10.776 1.00 0.00 O ATOM 319 CB ILE A 24 -3.044 15.415 9.642 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.708 14.377 8.567 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.378 16.083 9.304 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.864 13.384 8.439 1.00 0.00 C ATOM 0 H ILE A 24 -0.663 14.812 9.824 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.984 17.079 8.783 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.119 14.925 10.613 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.531 14.871 7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.790 13.851 8.828 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.164 15.329 9.271 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.617 16.824 10.067 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.304 16.573 8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.626 12.645 7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.019 12.881 9.394 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.772 13.917 8.158 1.00 0.00 H new ATOM 334 N ALA A 25 -1.751 16.887 12.071 1.00 0.00 N ATOM 335 CA ALA A 25 -1.897 17.660 13.299 1.00 0.00 C ATOM 336 C ALA A 25 -1.074 18.942 13.224 1.00 0.00 C ATOM 337 O ALA A 25 -1.533 20.012 13.625 1.00 0.00 O ATOM 338 CB ALA A 25 -1.441 16.827 14.498 1.00 0.00 C ATOM 0 H ALA A 25 -1.330 15.966 12.195 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.948 17.922 13.419 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.553 17.412 15.411 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.050 15.925 14.567 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.395 16.549 14.371 1.00 0.00 H new ATOM 344 N GLN A 26 0.144 18.827 12.705 1.00 0.00 N ATOM 345 CA GLN A 26 1.019 19.986 12.579 1.00 0.00 C ATOM 346 C GLN A 26 0.523 20.907 11.470 1.00 0.00 C ATOM 347 O GLN A 26 0.675 22.126 11.546 1.00 0.00 O ATOM 348 CB GLN A 26 2.447 19.533 12.270 1.00 0.00 C ATOM 349 CG GLN A 26 3.051 18.865 13.507 1.00 0.00 C ATOM 350 CD GLN A 26 3.324 19.910 14.583 1.00 0.00 C ATOM 351 OE1 GLN A 26 3.784 21.011 14.279 1.00 0.00 O ATOM 352 NE2 GLN A 26 3.064 19.630 15.831 1.00 0.00 N ATOM 0 H GLN A 26 0.544 17.952 12.368 1.00 0.00 H new ATOM 0 HA GLN A 26 1.010 20.531 13.523 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.445 18.836 11.432 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.054 20.388 11.972 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.369 18.106 13.890 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.977 18.356 13.240 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.683 18.717 16.080 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.242 20.324 16.557 1.00 0.00 H new ATOM 361 N SER A 27 -0.075 20.314 10.442 1.00 0.00 N ATOM 362 CA SER A 27 -0.596 21.089 9.322 1.00 0.00 C ATOM 363 C SER A 27 -1.847 21.853 9.739 1.00 0.00 C ATOM 364 O SER A 27 -1.918 23.073 9.595 1.00 0.00 O ATOM 365 CB SER A 27 -0.927 20.161 8.154 1.00 0.00 C ATOM 366 OG SER A 27 -1.045 20.929 6.963 1.00 0.00 O ATOM 0 H SER A 27 -0.210 19.306 10.361 1.00 0.00 H new ATOM 0 HA SER A 27 0.166 21.803 9.011 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.146 19.409 8.040 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.857 19.628 8.350 1.00 0.00 H new ATOM 0 HG SER A 27 -1.925 21.359 6.937 1.00 0.00 H new ATOM 372 N GLU A 28 -2.832 21.128 10.260 1.00 0.00 N ATOM 373 CA GLU A 28 -4.076 21.750 10.697 1.00 0.00 C ATOM 374 C GLU A 28 -3.807 22.728 11.836 1.00 0.00 C ATOM 375 O GLU A 28 -4.428 23.788 11.916 1.00 0.00 O ATOM 376 CB GLU A 28 -5.067 20.676 11.156 1.00 0.00 C ATOM 377 CG GLU A 28 -4.571 20.030 12.455 1.00 0.00 C ATOM 378 CD GLU A 28 -4.974 20.878 13.660 1.00 0.00 C ATOM 379 OE1 GLU A 28 -5.663 21.865 13.464 1.00 0.00 O ATOM 380 OE2 GLU A 28 -4.586 20.526 14.762 1.00 0.00 O ATOM 0 H GLU A 28 -2.794 20.117 10.389 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.506 22.297 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.050 21.119 11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.179 19.917 10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.988 19.028 12.552 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.487 19.923 12.424 1.00 0.00 H new ATOM 387 N ALA A 29 -2.875 22.366 12.713 1.00 0.00 N ATOM 388 CA ALA A 29 -2.530 23.223 13.841 1.00 0.00 C ATOM 389 C ALA A 29 -1.860 24.501 13.351 1.00 0.00 C ATOM 390 O ALA A 29 -2.173 25.597 13.817 1.00 0.00 O ATOM 391 CB ALA A 29 -1.588 22.483 14.792 1.00 0.00 C ATOM 0 H ALA A 29 -2.350 21.493 12.665 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.446 23.484 14.371 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.336 23.131 15.631 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.079 21.583 15.163 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.677 22.207 14.260 1.00 0.00 H new ATOM 397 N GLU A 30 -0.939 24.355 12.403 1.00 0.00 N ATOM 398 CA GLU A 30 -0.232 25.505 11.854 1.00 0.00 C ATOM 399 C GLU A 30 -1.134 26.270 10.890 1.00 0.00 C ATOM 400 O GLU A 30 -0.953 27.468 10.672 1.00 0.00 O ATOM 401 CB GLU A 30 1.028 25.043 11.119 1.00 0.00 C ATOM 402 CG GLU A 30 2.069 24.572 12.137 1.00 0.00 C ATOM 403 CD GLU A 30 2.690 25.773 12.841 1.00 0.00 C ATOM 404 OE1 GLU A 30 3.337 26.560 12.170 1.00 0.00 O ATOM 405 OE2 GLU A 30 2.509 25.890 14.042 1.00 0.00 O ATOM 0 H GLU A 30 -0.667 23.458 12.002 1.00 0.00 H new ATOM 0 HA GLU A 30 0.050 26.164 12.675 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.784 24.233 10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.433 25.859 10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.602 23.913 12.869 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.844 23.993 11.635 1.00 0.00 H new ATOM 412 N LEU A 31 -2.108 25.568 10.320 1.00 0.00 N ATOM 413 CA LEU A 31 -3.039 26.188 9.385 1.00 0.00 C ATOM 414 C LEU A 31 -2.334 26.538 8.076 1.00 0.00 C ATOM 415 O LEU A 31 -2.572 27.598 7.496 1.00 0.00 O ATOM 416 CB LEU A 31 -3.637 27.456 10.007 1.00 0.00 C ATOM 417 CG LEU A 31 -5.033 27.719 9.421 1.00 0.00 C ATOM 418 CD1 LEU A 31 -6.084 26.927 10.206 1.00 0.00 C ATOM 419 CD2 LEU A 31 -5.354 29.213 9.516 1.00 0.00 C ATOM 0 H LEU A 31 -2.272 24.575 10.488 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.838 25.478 9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.703 27.344 11.089 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.986 28.308 9.814 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.047 27.405 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.072 27.117 9.786 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.861 25.862 10.140 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.068 27.237 11.251 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.344 29.400 9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.335 29.524 10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.612 29.781 8.955 1.00 0.00 H new ATOM 450 N SER A 33 -1.350 23.703 5.457 1.00 0.00 N ATOM 451 CA SER A 33 -1.891 22.771 4.474 1.00 0.00 C ATOM 452 C SER A 33 -1.800 23.337 3.057 1.00 0.00 C ATOM 453 O SER A 33 -2.804 23.440 2.352 1.00 0.00 O ATOM 454 CB SER A 33 -3.345 22.459 4.820 1.00 0.00 C ATOM 455 OG SER A 33 -3.517 22.538 6.229 1.00 0.00 O ATOM 0 HA SER A 33 -1.298 21.857 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.010 23.164 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.611 21.463 4.464 1.00 0.00 H new ATOM 0 HG SER A 33 -2.817 23.106 6.613 1.00 0.00 H new ATOM 461 N ASP A 34 -0.588 23.701 2.648 1.00 0.00 N ATOM 462 CA ASP A 34 -0.377 24.253 1.314 1.00 0.00 C ATOM 463 C ASP A 34 -1.130 23.437 0.269 1.00 0.00 C ATOM 464 O ASP A 34 -1.654 23.983 -0.701 1.00 0.00 O ATOM 465 CB ASP A 34 1.116 24.259 0.981 1.00 0.00 C ATOM 466 CG ASP A 34 1.674 22.842 1.067 1.00 0.00 C ATOM 467 OD1 ASP A 34 1.121 22.052 1.814 1.00 0.00 O ATOM 468 OD2 ASP A 34 2.647 22.568 0.384 1.00 0.00 O ATOM 0 H ASP A 34 0.256 23.625 3.216 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.756 25.275 1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.272 24.660 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.649 24.911 1.673 1.00 0.00 H new ATOM 473 N GLU A 35 -1.179 22.125 0.476 1.00 0.00 N ATOM 474 CA GLU A 35 -1.870 21.240 -0.452 1.00 0.00 C ATOM 475 C GLU A 35 -3.254 21.788 -0.787 1.00 0.00 C ATOM 476 O GLU A 35 -3.598 21.961 -1.956 1.00 0.00 O ATOM 477 CB GLU A 35 -2.004 19.849 0.167 1.00 0.00 C ATOM 478 CG GLU A 35 -2.476 18.858 -0.895 1.00 0.00 C ATOM 479 CD GLU A 35 -1.367 18.617 -1.915 1.00 0.00 C ATOM 480 OE1 GLU A 35 -0.244 19.009 -1.642 1.00 0.00 O ATOM 481 OE2 GLU A 35 -1.657 18.045 -2.953 1.00 0.00 O ATOM 0 H GLU A 35 -0.751 21.654 1.273 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.288 21.177 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.046 19.529 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.713 19.875 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.760 17.916 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.364 19.244 -1.396 1.00 0.00 H new ATOM 488 N ALA A 36 -4.044 22.059 0.248 1.00 0.00 N ATOM 489 CA ALA A 36 -5.389 22.586 0.052 1.00 0.00 C ATOM 490 C ALA A 36 -5.364 23.785 -0.892 1.00 0.00 C ATOM 491 O ALA A 36 -6.070 23.808 -1.900 1.00 0.00 O ATOM 492 CB ALA A 36 -5.986 23.006 1.396 1.00 0.00 C ATOM 0 H ALA A 36 -3.778 21.923 1.223 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.004 21.803 -0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.991 23.399 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.032 22.142 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.361 23.777 1.847 1.00 0.00 H new ATOM 498 N GLN A 37 -4.546 24.777 -0.558 1.00 0.00 N ATOM 499 CA GLN A 37 -4.436 25.975 -1.383 1.00 0.00 C ATOM 500 C GLN A 37 -4.106 25.605 -2.825 1.00 0.00 C ATOM 501 O GLN A 37 -4.862 25.915 -3.745 1.00 0.00 O ATOM 502 CB GLN A 37 -3.347 26.894 -0.827 1.00 0.00 C ATOM 503 CG GLN A 37 -3.518 27.037 0.687 1.00 0.00 C ATOM 504 CD GLN A 37 -4.938 27.487 1.012 1.00 0.00 C ATOM 505 OE1 GLN A 37 -5.345 28.584 0.630 1.00 0.00 O ATOM 506 NE2 GLN A 37 -5.720 26.700 1.698 1.00 0.00 N ATOM 0 H GLN A 37 -3.953 24.776 0.272 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.394 26.495 -1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.362 26.486 -1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.405 27.873 -1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.308 26.086 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.801 27.760 1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.380 25.791 2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.672 26.993 1.919 1.00 0.00 H new ATOM 515 N ALA A 38 -2.971 24.940 -3.014 1.00 0.00 N ATOM 516 CA ALA A 38 -2.548 24.534 -4.349 1.00 0.00 C ATOM 517 C ALA A 38 -3.674 23.796 -5.067 1.00 0.00 C ATOM 518 O ALA A 38 -4.095 24.194 -6.153 1.00 0.00 O ATOM 519 CB ALA A 38 -1.321 23.625 -4.253 1.00 0.00 C ATOM 0 H ALA A 38 -2.332 24.672 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.295 25.429 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.011 23.326 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.507 24.163 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.570 22.738 -3.670 1.00 0.00 H new ATOM 525 N ASP A 39 -4.157 22.721 -4.454 1.00 0.00 N ATOM 526 CA ASP A 39 -5.235 21.935 -5.045 1.00 0.00 C ATOM 527 C ASP A 39 -6.353 22.847 -5.541 1.00 0.00 C ATOM 528 O ASP A 39 -6.603 22.943 -6.742 1.00 0.00 O ATOM 529 CB ASP A 39 -5.792 20.953 -4.014 1.00 0.00 C ATOM 530 CG ASP A 39 -6.602 19.866 -4.712 1.00 0.00 C ATOM 531 OD1 ASP A 39 -6.926 20.050 -5.874 1.00 0.00 O ATOM 532 OD2 ASP A 39 -6.886 18.864 -4.076 1.00 0.00 O ATOM 0 H ASP A 39 -3.823 22.375 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.832 21.380 -5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.975 20.503 -3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.420 21.483 -3.298 1.00 0.00 H new ATOM 537 N LEU A 40 -7.023 23.515 -4.608 1.00 0.00 N ATOM 538 CA LEU A 40 -8.113 24.416 -4.961 1.00 0.00 C ATOM 539 C LEU A 40 -7.691 25.347 -6.094 1.00 0.00 C ATOM 540 O LEU A 40 -8.417 25.517 -7.073 1.00 0.00 O ATOM 541 CB LEU A 40 -8.522 25.247 -3.741 1.00 0.00 C ATOM 542 CG LEU A 40 -9.148 24.336 -2.675 1.00 0.00 C ATOM 543 CD1 LEU A 40 -8.980 24.973 -1.294 1.00 0.00 C ATOM 544 CD2 LEU A 40 -10.641 24.146 -2.964 1.00 0.00 C ATOM 0 H LEU A 40 -6.832 23.450 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.961 23.817 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.652 25.758 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.234 26.018 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.648 23.367 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.425 24.326 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.919 25.105 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.476 25.943 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.079 23.499 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.141 25.114 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.766 23.689 -3.946 1.00 0.00 H new ATOM 556 N ALA A 41 -6.515 25.948 -5.951 1.00 0.00 N ATOM 557 CA ALA A 41 -6.005 26.860 -6.969 1.00 0.00 C ATOM 558 C ALA A 41 -5.901 26.155 -8.317 1.00 0.00 C ATOM 559 O ALA A 41 -6.211 26.737 -9.358 1.00 0.00 O ATOM 560 CB ALA A 41 -4.629 27.386 -6.557 1.00 0.00 C ATOM 0 H ALA A 41 -5.901 25.822 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.699 27.695 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.255 28.066 -7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.711 27.917 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.938 26.550 -6.446 1.00 0.00 H new ATOM 566 N LEU A 42 -5.462 24.901 -8.292 1.00 0.00 N ATOM 567 CA LEU A 42 -5.320 24.128 -9.521 1.00 0.00 C ATOM 568 C LEU A 42 -6.684 23.665 -10.022 1.00 0.00 C ATOM 569 O LEU A 42 -6.844 23.330 -11.196 1.00 0.00 O ATOM 570 CB LEU A 42 -4.424 22.912 -9.272 1.00 0.00 C ATOM 571 CG LEU A 42 -2.965 23.365 -9.110 1.00 0.00 C ATOM 572 CD1 LEU A 42 -2.204 22.346 -8.259 1.00 0.00 C ATOM 573 CD2 LEU A 42 -2.297 23.472 -10.485 1.00 0.00 C ATOM 0 H LEU A 42 -5.200 24.401 -7.442 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.864 24.765 -10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.752 22.384 -8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.507 22.212 -10.103 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.947 24.339 -8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.169 22.668 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.671 22.271 -7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.229 21.372 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.263 23.794 -10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.319 22.500 -10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.834 24.199 -11.095 1.00 0.00 H new ATOM 585 N ARG A 43 -7.666 23.649 -9.126 1.00 0.00 N ATOM 586 CA ARG A 43 -9.013 23.226 -9.492 1.00 0.00 C ATOM 587 C ARG A 43 -9.735 24.338 -10.247 1.00 0.00 C ATOM 588 O ARG A 43 -10.415 24.085 -11.241 1.00 0.00 O ATOM 589 CB ARG A 43 -9.807 22.858 -8.236 1.00 0.00 C ATOM 590 CG ARG A 43 -11.241 22.489 -8.625 1.00 0.00 C ATOM 591 CD ARG A 43 -11.965 21.890 -7.417 1.00 0.00 C ATOM 592 NE ARG A 43 -11.576 20.494 -7.233 1.00 0.00 N ATOM 593 CZ ARG A 43 -10.622 20.143 -6.372 1.00 0.00 C ATOM 594 NH1 ARG A 43 -10.004 21.051 -5.668 1.00 0.00 N ATOM 595 NH2 ARG A 43 -10.305 18.884 -6.233 1.00 0.00 N ATOM 0 H ARG A 43 -7.556 23.922 -8.149 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.936 22.352 -10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.331 22.021 -7.725 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.813 23.696 -7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.772 23.374 -8.977 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.232 21.774 -9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.726 22.462 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.043 21.958 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.046 19.771 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.251 22.035 -5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.274 20.777 -5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.787 18.173 -6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.575 18.612 -5.575 1.00 0.00 H new ATOM 609 N ARG A 44 -9.582 25.568 -9.768 1.00 0.00 N ATOM 610 CA ARG A 44 -10.225 26.711 -10.407 1.00 0.00 C ATOM 611 C ARG A 44 -9.419 27.174 -11.617 1.00 0.00 C ATOM 612 O ARG A 44 -9.786 28.139 -12.285 1.00 0.00 O ATOM 613 CB ARG A 44 -10.357 27.862 -9.408 1.00 0.00 C ATOM 614 CG ARG A 44 -8.971 28.268 -8.906 1.00 0.00 C ATOM 615 CD ARG A 44 -9.114 29.367 -7.851 1.00 0.00 C ATOM 616 NE ARG A 44 -9.402 30.646 -8.492 1.00 0.00 N ATOM 617 CZ ARG A 44 -8.430 31.393 -9.003 1.00 0.00 C ATOM 618 NH1 ARG A 44 -7.192 30.986 -8.939 1.00 0.00 N ATOM 619 NH2 ARG A 44 -8.713 32.534 -9.570 1.00 0.00 N ATOM 0 H ARG A 44 -9.023 25.798 -8.946 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.216 26.405 -10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.847 28.713 -9.881 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.984 27.559 -8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.459 27.405 -8.481 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.361 28.623 -9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.914 29.112 -7.156 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.196 29.443 -7.267 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.367 30.972 -8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.971 30.094 -8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.446 31.560 -9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.681 32.852 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.966 33.108 -9.962 1.00 0.00 H new ATOM 633 N SER A 45 -8.321 26.477 -11.891 1.00 0.00 N ATOM 634 CA SER A 45 -7.471 26.826 -13.024 1.00 0.00 C ATOM 635 C SER A 45 -8.316 27.093 -14.266 1.00 0.00 C ATOM 636 O SER A 45 -9.025 26.210 -14.748 1.00 0.00 O ATOM 637 CB SER A 45 -6.487 25.691 -13.308 1.00 0.00 C ATOM 638 OG SER A 45 -7.206 24.549 -13.757 1.00 0.00 O ATOM 0 H SER A 45 -8.001 25.674 -11.350 1.00 0.00 H new ATOM 0 HA SER A 45 -6.918 27.731 -12.774 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.765 26.001 -14.063 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.923 25.449 -12.407 1.00 0.00 H new ATOM 0 HG SER A 45 -8.061 24.832 -14.144 1.00 0.00 H new ATOM 644 N LEU A 46 -8.236 28.317 -14.777 1.00 0.00 N ATOM 645 CA LEU A 46 -9.000 28.690 -15.963 1.00 0.00 C ATOM 646 C LEU A 46 -8.336 28.138 -17.222 1.00 0.00 C ATOM 647 O LEU A 46 -8.992 27.529 -18.066 1.00 0.00 O ATOM 648 CB LEU A 46 -9.110 30.218 -16.061 1.00 0.00 C ATOM 649 CG LEU A 46 -7.855 30.872 -15.462 1.00 0.00 C ATOM 650 CD1 LEU A 46 -7.575 32.197 -16.176 1.00 0.00 C ATOM 651 CD2 LEU A 46 -8.074 31.141 -13.968 1.00 0.00 C ATOM 0 H LEU A 46 -7.655 29.062 -14.393 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.000 28.264 -15.878 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.224 30.517 -17.103 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.998 30.562 -15.531 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.007 30.200 -15.591 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.685 32.659 -15.750 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.414 32.011 -17.238 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.427 32.866 -16.050 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.182 31.605 -13.547 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.925 31.809 -13.840 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.271 30.200 -13.454 1.00 0.00 H new ATOM 663 N ASP A 47 -7.032 28.357 -17.339 1.00 0.00 N ATOM 664 CA ASP A 47 -6.287 27.879 -18.498 1.00 0.00 C ATOM 665 C ASP A 47 -6.245 26.354 -18.516 1.00 0.00 C ATOM 666 O ASP A 47 -5.964 25.743 -19.546 1.00 0.00 O ATOM 667 CB ASP A 47 -4.861 28.430 -18.468 1.00 0.00 C ATOM 668 CG ASP A 47 -4.164 28.148 -19.794 1.00 0.00 C ATOM 669 OD1 ASP A 47 -4.851 28.088 -20.800 1.00 0.00 O ATOM 670 OD2 ASP A 47 -2.954 27.997 -19.785 1.00 0.00 O ATOM 0 H ASP A 47 -6.471 28.859 -16.651 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.791 28.229 -19.399 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.881 29.503 -18.280 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.303 27.973 -17.650 1.00 0.00 H new ATOM 675 N SER A 48 -6.527 25.747 -17.368 1.00 0.00 N ATOM 676 CA SER A 48 -6.520 24.292 -17.261 1.00 0.00 C ATOM 677 C SER A 48 -5.219 23.720 -17.817 1.00 0.00 C ATOM 678 O SER A 48 -5.198 22.613 -18.357 1.00 0.00 O ATOM 679 CB SER A 48 -7.706 23.708 -18.029 1.00 0.00 C ATOM 680 OG SER A 48 -7.545 22.299 -18.141 1.00 0.00 O ATOM 0 H SER A 48 -6.762 26.236 -16.504 1.00 0.00 H new ATOM 0 HA SER A 48 -6.601 24.023 -16.208 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.638 23.939 -17.513 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.770 24.158 -19.020 1.00 0.00 H new ATOM 0 HG SER A 48 -6.793 22.102 -18.738 1.00 0.00 H new ATOM 894 N THR A 62 18.607 0.747 -23.360 1.00 0.00 N ATOM 895 CA THR A 62 18.997 -0.544 -22.802 1.00 0.00 C ATOM 896 C THR A 62 19.646 -1.419 -23.877 1.00 0.00 C ATOM 897 O THR A 62 19.292 -1.330 -25.052 1.00 0.00 O ATOM 898 CB THR A 62 17.766 -1.259 -22.240 1.00 0.00 C ATOM 899 OG1 THR A 62 17.121 -1.976 -23.282 1.00 0.00 O ATOM 900 CG2 THR A 62 16.799 -0.229 -21.653 1.00 0.00 C ATOM 0 HA THR A 62 19.718 -0.372 -22.003 1.00 0.00 H new ATOM 0 HB THR A 62 18.074 -1.952 -21.457 1.00 0.00 H new ATOM 0 HG1 THR A 62 16.333 -2.436 -22.924 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.923 -0.739 -21.253 1.00 0.00 H new ATOM 0 HG22 THR A 62 17.295 0.321 -20.853 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.489 0.466 -22.434 1.00 0.00 H new ATOM 908 N PRO A 63 20.577 -2.262 -23.500 1.00 0.00 N ATOM 909 CA PRO A 63 21.271 -3.167 -24.457 1.00 0.00 C ATOM 910 C PRO A 63 20.313 -3.749 -25.495 1.00 0.00 C ATOM 911 O PRO A 63 20.636 -3.824 -26.680 1.00 0.00 O ATOM 912 CB PRO A 63 21.838 -4.265 -23.556 1.00 0.00 C ATOM 913 CG PRO A 63 22.075 -3.606 -22.234 1.00 0.00 C ATOM 914 CD PRO A 63 21.074 -2.447 -22.124 1.00 0.00 C ATOM 0 HA PRO A 63 22.033 -2.649 -25.040 1.00 0.00 H new ATOM 0 HB2 PRO A 63 21.139 -5.096 -23.462 1.00 0.00 H new ATOM 0 HB3 PRO A 63 22.763 -4.671 -23.965 1.00 0.00 H new ATOM 0 HG2 PRO A 63 21.934 -4.316 -21.419 1.00 0.00 H new ATOM 0 HG3 PRO A 63 23.099 -3.239 -22.164 1.00 0.00 H new ATOM 0 HD2 PRO A 63 20.262 -2.686 -21.437 1.00 0.00 H new ATOM 0 HD3 PRO A 63 21.553 -1.542 -21.749 1.00 0.00 H new ATOM 922 N GLU A 64 19.135 -4.162 -25.037 1.00 0.00 N ATOM 923 CA GLU A 64 18.137 -4.737 -25.933 1.00 0.00 C ATOM 924 C GLU A 64 17.654 -3.695 -26.935 1.00 0.00 C ATOM 925 O GLU A 64 17.657 -3.933 -28.143 1.00 0.00 O ATOM 926 CB GLU A 64 16.949 -5.259 -25.123 1.00 0.00 C ATOM 927 CG GLU A 64 16.089 -6.169 -26.003 1.00 0.00 C ATOM 928 CD GLU A 64 14.737 -6.409 -25.338 1.00 0.00 C ATOM 929 OE1 GLU A 64 14.671 -6.312 -24.124 1.00 0.00 O ATOM 930 OE2 GLU A 64 13.789 -6.688 -26.054 1.00 0.00 O ATOM 0 H GLU A 64 18.850 -4.110 -24.059 1.00 0.00 H new ATOM 0 HA GLU A 64 18.596 -5.562 -26.478 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.304 -5.809 -24.251 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.353 -4.425 -24.753 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.946 -5.713 -26.983 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.598 -7.119 -26.165 1.00 0.00 H new ATOM 937 N GLN A 65 17.239 -2.541 -26.425 1.00 0.00 N ATOM 938 CA GLN A 65 16.755 -1.467 -27.285 1.00 0.00 C ATOM 939 C GLN A 65 17.715 -1.240 -28.449 1.00 0.00 C ATOM 940 O GLN A 65 17.312 -1.261 -29.612 1.00 0.00 O ATOM 941 CB GLN A 65 16.613 -0.176 -26.475 1.00 0.00 C ATOM 942 CG GLN A 65 15.365 -0.259 -25.593 1.00 0.00 C ATOM 943 CD GLN A 65 14.115 -0.036 -26.437 1.00 0.00 C ATOM 944 OE1 GLN A 65 13.555 -0.987 -26.983 1.00 0.00 O ATOM 945 NE2 GLN A 65 13.641 1.172 -26.577 1.00 0.00 N ATOM 0 H GLN A 65 17.228 -2.326 -25.428 1.00 0.00 H new ATOM 0 HA GLN A 65 15.782 -1.754 -27.684 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.498 -0.023 -25.857 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.541 0.680 -27.146 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.317 -1.234 -25.107 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.418 0.489 -24.802 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.107 1.958 -26.124 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.805 1.330 -27.140 1.00 0.00 H new ATOM 954 N MET A 66 18.986 -1.022 -28.128 1.00 0.00 N ATOM 955 CA MET A 66 19.994 -0.791 -29.157 1.00 0.00 C ATOM 956 C MET A 66 20.144 -2.024 -30.043 1.00 0.00 C ATOM 957 O MET A 66 20.117 -1.925 -31.271 1.00 0.00 O ATOM 958 CB MET A 66 21.340 -0.463 -28.507 1.00 0.00 C ATOM 959 CG MET A 66 21.237 0.870 -27.763 1.00 0.00 C ATOM 960 SD MET A 66 22.898 1.454 -27.338 1.00 0.00 S ATOM 961 CE MET A 66 23.414 0.001 -26.393 1.00 0.00 C ATOM 0 H MET A 66 19.341 -1.000 -27.172 1.00 0.00 H new ATOM 0 HA MET A 66 19.673 0.050 -29.771 1.00 0.00 H new ATOM 0 HB2 MET A 66 21.625 -1.256 -27.816 1.00 0.00 H new ATOM 0 HB3 MET A 66 22.119 -0.408 -29.267 1.00 0.00 H new ATOM 0 HG2 MET A 66 20.729 1.607 -28.384 1.00 0.00 H new ATOM 0 HG3 MET A 66 20.640 0.749 -26.859 1.00 0.00 H new ATOM 0 HE1 MET A 66 24.213 0.279 -25.706 1.00 0.00 H new ATOM 0 HE2 MET A 66 22.566 -0.384 -25.826 1.00 0.00 H new ATOM 0 HE3 MET A 66 23.774 -0.768 -27.076 1.00 0.00 H new ATOM 971 N ALA A 67 20.299 -3.184 -29.415 1.00 0.00 N ATOM 972 CA ALA A 67 20.451 -4.430 -30.157 1.00 0.00 C ATOM 973 C ALA A 67 19.384 -4.541 -31.241 1.00 0.00 C ATOM 974 O ALA A 67 19.691 -4.808 -32.403 1.00 0.00 O ATOM 975 CB ALA A 67 20.338 -5.622 -29.205 1.00 0.00 C ATOM 0 H ALA A 67 20.323 -3.288 -28.401 1.00 0.00 H new ATOM 0 HA ALA A 67 21.434 -4.433 -30.628 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.453 -6.549 -29.767 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.119 -5.558 -28.448 1.00 0.00 H new ATOM 0 HB3 ALA A 67 19.361 -5.610 -28.721 1.00 0.00 H new ATOM 981 N LYS A 68 18.129 -4.333 -30.853 1.00 0.00 N ATOM 982 CA LYS A 68 17.024 -4.412 -31.801 1.00 0.00 C ATOM 983 C LYS A 68 17.145 -3.320 -32.859 1.00 0.00 C ATOM 984 O LYS A 68 17.129 -3.599 -34.058 1.00 0.00 O ATOM 985 CB LYS A 68 15.691 -4.265 -31.063 1.00 0.00 C ATOM 986 CG LYS A 68 14.546 -4.688 -31.986 1.00 0.00 C ATOM 987 CD LYS A 68 13.219 -4.177 -31.423 1.00 0.00 C ATOM 988 CE LYS A 68 12.083 -4.533 -32.383 1.00 0.00 C ATOM 989 NZ LYS A 68 10.887 -3.702 -32.068 1.00 0.00 N ATOM 0 H LYS A 68 17.854 -4.110 -29.896 1.00 0.00 H new ATOM 0 HA LYS A 68 17.062 -5.384 -32.293 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.692 -4.879 -30.163 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.552 -3.232 -30.744 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.706 -4.288 -32.987 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.520 -5.774 -32.076 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.033 -4.619 -30.444 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.264 -3.097 -31.282 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.396 -4.363 -33.413 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.837 -5.591 -32.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.114 -3.944 -32.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.584 -3.886 -31.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.126 -2.695 -32.173 1.00 0.00 H new ATOM 1003 N GLU A 69 17.265 -2.076 -32.407 1.00 0.00 N ATOM 1004 CA GLU A 69 17.388 -0.948 -33.325 1.00 0.00 C ATOM 1005 C GLU A 69 18.458 -1.225 -34.374 1.00 0.00 C ATOM 1006 O GLU A 69 18.237 -1.028 -35.569 1.00 0.00 O ATOM 1007 CB GLU A 69 17.745 0.321 -32.548 1.00 0.00 C ATOM 1008 CG GLU A 69 16.510 0.830 -31.800 1.00 0.00 C ATOM 1009 CD GLU A 69 15.549 1.499 -32.776 1.00 0.00 C ATOM 1010 OE1 GLU A 69 15.812 2.628 -33.156 1.00 0.00 O ATOM 1011 OE2 GLU A 69 14.563 0.873 -33.129 1.00 0.00 O ATOM 0 H GLU A 69 17.280 -1.824 -31.419 1.00 0.00 H new ATOM 0 HA GLU A 69 16.432 -0.807 -33.829 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.550 0.113 -31.843 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.110 1.087 -33.232 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.012 0.001 -31.297 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.809 1.539 -31.028 1.00 0.00 H new ATOM 1018 N MET A 70 19.621 -1.683 -33.920 1.00 0.00 N ATOM 1019 CA MET A 70 20.720 -1.983 -34.830 1.00 0.00 C ATOM 1020 C MET A 70 20.325 -3.089 -35.803 1.00 0.00 C ATOM 1021 O MET A 70 20.253 -2.869 -37.012 1.00 0.00 O ATOM 1022 CB MET A 70 21.953 -2.416 -34.035 1.00 0.00 C ATOM 1023 CG MET A 70 22.526 -1.213 -33.285 1.00 0.00 C ATOM 1024 SD MET A 70 23.968 -1.733 -32.321 1.00 0.00 S ATOM 1025 CE MET A 70 24.536 -0.079 -31.853 1.00 0.00 C ATOM 0 H MET A 70 19.825 -1.853 -32.935 1.00 0.00 H new ATOM 0 HA MET A 70 20.952 -1.082 -35.398 1.00 0.00 H new ATOM 0 HB2 MET A 70 21.686 -3.204 -33.330 1.00 0.00 H new ATOM 0 HB3 MET A 70 22.705 -2.831 -34.707 1.00 0.00 H new ATOM 0 HG2 MET A 70 22.809 -0.432 -33.991 1.00 0.00 H new ATOM 0 HG3 MET A 70 21.769 -0.788 -32.626 1.00 0.00 H new ATOM 0 HE1 MET A 70 25.434 -0.162 -31.241 1.00 0.00 H new ATOM 0 HE2 MET A 70 24.761 0.496 -32.751 1.00 0.00 H new ATOM 0 HE3 MET A 70 23.755 0.426 -31.284 1.00 0.00 H new ATOM 1035 N SER A 71 20.071 -4.279 -35.268 1.00 0.00 N ATOM 1036 CA SER A 71 19.684 -5.413 -36.098 1.00 0.00 C ATOM 1037 C SER A 71 18.609 -5.004 -37.100 1.00 0.00 C ATOM 1038 O SER A 71 18.589 -5.484 -38.234 1.00 0.00 O ATOM 1039 CB SER A 71 19.160 -6.548 -35.220 1.00 0.00 C ATOM 1040 OG SER A 71 18.563 -7.542 -36.044 1.00 0.00 O ATOM 0 H SER A 71 20.126 -4.482 -34.270 1.00 0.00 H new ATOM 0 HA SER A 71 20.563 -5.754 -36.645 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.975 -6.981 -34.641 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.431 -6.164 -34.507 1.00 0.00 H new ATOM 0 HG SER A 71 18.227 -8.273 -35.484 1.00 0.00 H new ATOM 1046 N GLU A 72 17.717 -4.117 -36.675 1.00 0.00 N ATOM 1047 CA GLU A 72 16.641 -3.651 -37.543 1.00 0.00 C ATOM 1048 C GLU A 72 17.155 -2.595 -38.516 1.00 0.00 C ATOM 1049 O GLU A 72 16.699 -2.513 -39.656 1.00 0.00 O ATOM 1050 CB GLU A 72 15.507 -3.064 -36.701 1.00 0.00 C ATOM 1051 CG GLU A 72 14.331 -2.697 -37.610 1.00 0.00 C ATOM 1052 CD GLU A 72 13.078 -2.464 -36.773 1.00 0.00 C ATOM 1053 OE1 GLU A 72 13.037 -1.470 -36.067 1.00 0.00 O ATOM 1054 OE2 GLU A 72 12.177 -3.284 -36.851 1.00 0.00 O ATOM 0 H GLU A 72 17.716 -3.708 -35.741 1.00 0.00 H new ATOM 0 HA GLU A 72 16.267 -4.501 -38.113 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.187 -3.786 -35.949 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.857 -2.181 -36.167 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.569 -1.800 -38.181 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.154 -3.496 -38.330 1.00 0.00 H new ATOM 1061 N PHE A 73 18.108 -1.789 -38.058 1.00 0.00 N ATOM 1062 CA PHE A 73 18.677 -0.741 -38.897 1.00 0.00 C ATOM 1063 C PHE A 73 19.514 -1.347 -40.019 1.00 0.00 C ATOM 1064 O PHE A 73 19.264 -1.097 -41.198 1.00 0.00 O ATOM 1065 CB PHE A 73 19.550 0.188 -38.053 1.00 0.00 C ATOM 1066 CG PHE A 73 20.019 1.348 -38.900 1.00 0.00 C ATOM 1067 CD1 PHE A 73 19.140 2.397 -39.195 1.00 0.00 C ATOM 1068 CD2 PHE A 73 21.330 1.374 -39.389 1.00 0.00 C ATOM 1069 CE1 PHE A 73 19.573 3.472 -39.980 1.00 0.00 C ATOM 1070 CE2 PHE A 73 21.763 2.450 -40.174 1.00 0.00 C ATOM 1071 CZ PHE A 73 20.884 3.499 -40.469 1.00 0.00 C ATOM 0 H PHE A 73 18.500 -1.841 -37.118 1.00 0.00 H new ATOM 0 HA PHE A 73 17.859 -0.171 -39.337 1.00 0.00 H new ATOM 0 HB2 PHE A 73 18.986 0.555 -37.196 1.00 0.00 H new ATOM 0 HB3 PHE A 73 20.407 -0.359 -37.660 1.00 0.00 H new ATOM 0 HD1 PHE A 73 18.128 2.377 -38.817 1.00 0.00 H new ATOM 0 HD2 PHE A 73 22.008 0.565 -39.161 1.00 0.00 H new ATOM 0 HE1 PHE A 73 18.895 4.281 -40.208 1.00 0.00 H new ATOM 0 HE2 PHE A 73 22.775 2.471 -40.552 1.00 0.00 H new ATOM 0 HZ PHE A 73 21.218 4.329 -41.074 1.00 0.00 H new ATOM 1081 N LEU A 74 20.507 -2.146 -39.642 1.00 0.00 N ATOM 1082 CA LEU A 74 21.375 -2.784 -40.625 1.00 0.00 C ATOM 1083 C LEU A 74 20.548 -3.467 -41.708 1.00 0.00 C ATOM 1084 O LEU A 74 20.948 -3.514 -42.871 1.00 0.00 O ATOM 1085 CB LEU A 74 22.272 -3.816 -39.938 1.00 0.00 C ATOM 1086 CG LEU A 74 23.019 -3.159 -38.773 1.00 0.00 C ATOM 1087 CD1 LEU A 74 23.764 -4.232 -37.975 1.00 0.00 C ATOM 1088 CD2 LEU A 74 24.024 -2.135 -39.312 1.00 0.00 C ATOM 0 H LEU A 74 20.730 -2.366 -38.671 1.00 0.00 H new ATOM 0 HA LEU A 74 21.994 -2.015 -41.088 1.00 0.00 H new ATOM 0 HB2 LEU A 74 21.671 -4.649 -39.573 1.00 0.00 H new ATOM 0 HB3 LEU A 74 22.984 -4.226 -40.654 1.00 0.00 H new ATOM 0 HG LEU A 74 22.302 -2.653 -38.126 1.00 0.00 H new ATOM 0 HD11 LEU A 74 24.296 -3.765 -37.146 1.00 0.00 H new ATOM 0 HD12 LEU A 74 23.050 -4.957 -37.586 1.00 0.00 H new ATOM 0 HD13 LEU A 74 24.478 -4.739 -38.625 1.00 0.00 H new ATOM 0 HD21 LEU A 74 24.552 -1.671 -38.479 1.00 0.00 H new ATOM 0 HD22 LEU A 74 24.741 -2.636 -39.962 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.494 -1.369 -39.878 1.00 0.00 H new