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 27 SER OG : rot 130:sc= 0.968 USER MOD Set 1.2: A 33 SER OG : rot -108:sc= 0.243 USER MOD Single : A 6 GLN : amide:sc= -0.788 X(o=-0.79,f=-1.3) USER MOD Single : A 7 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.14) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.983 F(o=-3.4!,f=-0.98) USER MOD Single : A 13 GLN : amide:sc= -0.752 X(o=-0.75,f=-0.32) USER MOD Single : A 26 GLN : amide:sc= -0.0559 X(o=-0.056,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 45 SER OG : rot -80:sc= 0.856 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.68 K(o=-0.68,f=-3.1!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 166:sc=-0.00251 (180deg=-0.116) 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 1.636 -10.538 12.966 1.00 0.00 N ATOM 2 CA GLN A 6 0.857 -9.306 13.006 1.00 0.00 C ATOM 3 C GLN A 6 1.743 -8.126 13.393 1.00 0.00 C ATOM 4 O GLN A 6 1.449 -6.980 13.052 1.00 0.00 O ATOM 5 CB GLN A 6 -0.285 -9.443 14.015 1.00 0.00 C ATOM 6 CG GLN A 6 -1.301 -8.319 13.794 1.00 0.00 C ATOM 7 CD GLN A 6 -2.053 -8.547 12.486 1.00 0.00 C ATOM 8 OE1 GLN A 6 -2.350 -9.687 12.130 1.00 0.00 O ATOM 9 NE2 GLN A 6 -2.382 -7.522 11.747 1.00 0.00 N ATOM 0 HA GLN A 6 0.444 -9.126 12.014 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.770 -10.413 13.902 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.107 -9.399 15.031 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.004 -8.284 14.626 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.791 -7.356 13.767 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.135 -6.578 12.045 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.887 -7.665 10.872 1.00 0.00 H new ATOM 18 N GLN A 7 2.828 -8.414 14.107 1.00 0.00 N ATOM 19 CA GLN A 7 3.750 -7.369 14.533 1.00 0.00 C ATOM 20 C GLN A 7 4.002 -6.382 13.399 1.00 0.00 C ATOM 21 O GLN A 7 3.712 -5.194 13.520 1.00 0.00 O ATOM 22 CB GLN A 7 5.076 -7.992 14.974 1.00 0.00 C ATOM 23 CG GLN A 7 4.855 -8.823 16.239 1.00 0.00 C ATOM 24 CD GLN A 7 4.634 -7.902 17.435 1.00 0.00 C ATOM 25 OE1 GLN A 7 3.606 -7.989 18.105 1.00 0.00 O ATOM 26 NE2 GLN A 7 5.544 -7.019 17.744 1.00 0.00 N ATOM 0 H GLN A 7 3.088 -9.356 14.400 1.00 0.00 H new ATOM 0 HA GLN A 7 3.303 -6.835 15.371 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.477 -8.621 14.179 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.812 -7.210 15.164 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.993 -9.477 16.109 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.718 -9.465 16.418 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.396 -6.948 17.187 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.403 -6.400 18.542 1.00 0.00 H new ATOM 35 N GLN A 8 4.540 -6.883 12.293 1.00 0.00 N ATOM 36 CA GLN A 8 4.826 -6.035 11.142 1.00 0.00 C ATOM 37 C GLN A 8 3.632 -5.142 10.821 1.00 0.00 C ATOM 38 O GLN A 8 3.797 -3.981 10.447 1.00 0.00 O ATOM 39 CB GLN A 8 5.165 -6.905 9.926 1.00 0.00 C ATOM 40 CG GLN A 8 5.336 -6.025 8.683 1.00 0.00 C ATOM 41 CD GLN A 8 6.347 -4.917 8.955 1.00 0.00 C ATOM 42 OE1 GLN A 8 7.367 -5.152 9.735 1.00 0.00 O flip ATOM 43 NE2 GLN A 8 6.205 -3.806 8.444 1.00 0.00 N flip ATOM 0 H GLN A 8 4.786 -7.865 12.169 1.00 0.00 H new ATOM 0 HA GLN A 8 5.679 -5.401 11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.081 -7.466 10.114 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.373 -7.635 9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.670 -6.633 7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.377 -5.590 8.402 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.408 -3.623 7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.885 -3.068 8.630 1.00 0.00 H new ATOM 52 N ALA A 9 2.429 -5.690 10.966 1.00 0.00 N ATOM 53 CA ALA A 9 1.214 -4.934 10.682 1.00 0.00 C ATOM 54 C ALA A 9 1.043 -3.785 11.672 1.00 0.00 C ATOM 55 O ALA A 9 1.085 -2.615 11.293 1.00 0.00 O ATOM 56 CB ALA A 9 -0.004 -5.856 10.752 1.00 0.00 C ATOM 0 H ALA A 9 2.270 -6.649 11.276 1.00 0.00 H new ATOM 0 HA ALA A 9 1.299 -4.518 9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.907 -5.283 10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.101 -6.654 10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.076 -6.288 11.750 1.00 0.00 H new ATOM 62 N VAL A 10 0.842 -4.123 12.941 1.00 0.00 N ATOM 63 CA VAL A 10 0.660 -3.106 13.970 1.00 0.00 C ATOM 64 C VAL A 10 1.890 -2.205 14.060 1.00 0.00 C ATOM 65 O VAL A 10 1.784 -1.032 14.412 1.00 0.00 O ATOM 66 CB VAL A 10 0.408 -3.769 15.325 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.533 -4.759 15.624 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.365 -2.701 16.420 1.00 0.00 C ATOM 0 H VAL A 10 0.801 -5.084 13.280 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.202 -2.496 13.700 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.545 -4.297 15.297 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.354 -5.232 16.590 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.563 -5.522 14.846 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.486 -4.230 15.650 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.185 -3.176 17.385 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.317 -2.171 16.448 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.438 -1.995 16.208 1.00 0.00 H new ATOM 78 N LEU A 11 3.053 -2.761 13.737 1.00 0.00 N ATOM 79 CA LEU A 11 4.292 -1.993 13.786 1.00 0.00 C ATOM 80 C LEU A 11 4.275 -0.879 12.743 1.00 0.00 C ATOM 81 O LEU A 11 4.240 0.304 13.085 1.00 0.00 O ATOM 82 CB LEU A 11 5.492 -2.913 13.532 1.00 0.00 C ATOM 83 CG LEU A 11 5.817 -3.721 14.796 1.00 0.00 C ATOM 84 CD1 LEU A 11 6.866 -4.783 14.458 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.364 -2.791 15.891 1.00 0.00 C ATOM 0 H LEU A 11 3.164 -3.731 13.441 1.00 0.00 H new ATOM 0 HA LEU A 11 4.380 -1.548 14.777 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.273 -3.589 12.706 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.358 -2.320 13.238 1.00 0.00 H new ATOM 0 HG LEU A 11 4.908 -4.200 15.160 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.101 -5.360 15.352 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.475 -5.449 13.689 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.771 -4.297 14.092 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.591 -3.374 16.783 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.272 -2.304 15.535 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.617 -2.035 16.132 1.00 0.00 H new ATOM 97 N GLU A 12 4.305 -1.262 11.469 1.00 0.00 N ATOM 98 CA GLU A 12 4.298 -0.282 10.389 1.00 0.00 C ATOM 99 C GLU A 12 3.064 0.614 10.482 1.00 0.00 C ATOM 100 O GLU A 12 3.115 1.795 10.143 1.00 0.00 O ATOM 101 CB GLU A 12 4.324 -0.991 9.030 1.00 0.00 C ATOM 102 CG GLU A 12 2.958 -1.620 8.747 1.00 0.00 C ATOM 103 CD GLU A 12 3.070 -2.611 7.592 1.00 0.00 C ATOM 104 OE1 GLU A 12 4.114 -3.231 7.469 1.00 0.00 O ATOM 105 OE2 GLU A 12 2.111 -2.734 6.850 1.00 0.00 O ATOM 0 H GLU A 12 4.334 -2.234 11.162 1.00 0.00 H new ATOM 0 HA GLU A 12 5.189 0.339 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.577 -0.280 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.097 -1.760 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.590 -2.128 9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.234 -0.843 8.502 1.00 0.00 H new ATOM 112 N GLN A 13 1.958 0.043 10.947 1.00 0.00 N ATOM 113 CA GLN A 13 0.719 0.800 11.080 1.00 0.00 C ATOM 114 C GLN A 13 0.831 1.808 12.220 1.00 0.00 C ATOM 115 O GLN A 13 0.304 2.918 12.133 1.00 0.00 O ATOM 116 CB GLN A 13 -0.451 -0.150 11.345 1.00 0.00 C ATOM 117 CG GLN A 13 -1.770 0.616 11.218 1.00 0.00 C ATOM 118 CD GLN A 13 -2.023 0.982 9.759 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.643 0.214 9.024 1.00 0.00 O ATOM 120 NE2 GLN A 13 -1.576 2.117 9.295 1.00 0.00 N ATOM 0 H GLN A 13 1.894 -0.933 11.236 1.00 0.00 H new ATOM 0 HA GLN A 13 0.541 1.338 10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.429 -0.977 10.636 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.364 -0.582 12.342 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.591 0.007 11.596 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.736 1.519 11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.062 2.751 9.907 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.740 2.370 8.321 1.00 0.00 H new ATOM 129 N GLU A 14 1.518 1.415 13.287 1.00 0.00 N ATOM 130 CA GLU A 14 1.689 2.296 14.438 1.00 0.00 C ATOM 131 C GLU A 14 2.582 3.478 14.078 1.00 0.00 C ATOM 132 O GLU A 14 2.176 4.635 14.205 1.00 0.00 O ATOM 133 CB GLU A 14 2.306 1.517 15.606 1.00 0.00 C ATOM 134 CG GLU A 14 1.204 0.785 16.382 1.00 0.00 C ATOM 135 CD GLU A 14 0.522 1.742 17.354 1.00 0.00 C ATOM 136 OE1 GLU A 14 0.760 2.933 17.246 1.00 0.00 O ATOM 137 OE2 GLU A 14 -0.227 1.268 18.192 1.00 0.00 O ATOM 0 H GLU A 14 1.962 0.501 13.380 1.00 0.00 H new ATOM 0 HA GLU A 14 0.710 2.674 14.734 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.037 0.800 15.231 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.839 2.199 16.269 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.470 0.376 15.688 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.631 -0.057 16.928 1.00 0.00 H new ATOM 144 N ARG A 15 3.799 3.186 13.628 1.00 0.00 N ATOM 145 CA ARG A 15 4.732 4.244 13.256 1.00 0.00 C ATOM 146 C ARG A 15 4.128 5.124 12.166 1.00 0.00 C ATOM 147 O ARG A 15 4.193 6.351 12.240 1.00 0.00 O ATOM 148 CB ARG A 15 6.055 3.640 12.769 1.00 0.00 C ATOM 149 CG ARG A 15 5.877 3.062 11.364 1.00 0.00 C ATOM 150 CD ARG A 15 7.079 2.181 11.019 1.00 0.00 C ATOM 151 NE ARG A 15 8.310 2.962 11.080 1.00 0.00 N ATOM 152 CZ ARG A 15 9.476 2.437 10.718 1.00 0.00 C ATOM 153 NH1 ARG A 15 9.534 1.201 10.302 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.563 3.157 10.780 1.00 0.00 N ATOM 0 H ARG A 15 4.159 2.238 13.513 1.00 0.00 H new ATOM 0 HA ARG A 15 4.928 4.858 14.135 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.833 4.404 12.762 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.382 2.858 13.455 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.958 2.478 11.313 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.783 3.868 10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.136 1.343 11.714 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.956 1.760 10.021 1.00 0.00 H new ATOM 0 HE ARG A 15 8.275 3.928 11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.685 0.638 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.429 0.798 10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.517 4.122 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.458 2.754 10.502 1.00 0.00 H new ATOM 168 N ARG A 16 3.536 4.491 11.157 1.00 0.00 N ATOM 169 CA ARG A 16 2.919 5.231 10.065 1.00 0.00 C ATOM 170 C ARG A 16 1.774 6.091 10.589 1.00 0.00 C ATOM 171 O ARG A 16 1.720 7.294 10.334 1.00 0.00 O ATOM 172 CB ARG A 16 2.390 4.259 9.008 1.00 0.00 C ATOM 173 CG ARG A 16 1.836 5.045 7.819 1.00 0.00 C ATOM 174 CD ARG A 16 1.353 4.069 6.745 1.00 0.00 C ATOM 175 NE ARG A 16 2.415 3.133 6.398 1.00 0.00 N ATOM 176 CZ ARG A 16 2.146 1.987 5.781 1.00 0.00 C ATOM 177 NH1 ARG A 16 0.915 1.684 5.473 1.00 0.00 N ATOM 178 NH2 ARG A 16 3.114 1.163 5.483 1.00 0.00 N ATOM 0 H ARG A 16 3.471 3.476 11.074 1.00 0.00 H new ATOM 0 HA ARG A 16 3.671 5.879 9.615 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.189 3.595 8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.610 3.630 9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.014 5.683 8.142 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.606 5.700 7.411 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.481 3.523 7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.040 4.620 5.858 1.00 0.00 H new ATOM 0 HE ARG A 16 3.381 3.361 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.158 2.327 5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.710 0.804 4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.077 1.399 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.907 0.283 5.009 1.00 0.00 H new ATOM 192 N ASP A 17 0.863 5.465 11.327 1.00 0.00 N ATOM 193 CA ASP A 17 -0.277 6.183 11.886 1.00 0.00 C ATOM 194 C ASP A 17 0.186 7.466 12.569 1.00 0.00 C ATOM 195 O ASP A 17 -0.335 8.548 12.300 1.00 0.00 O ATOM 196 CB ASP A 17 -1.007 5.297 12.898 1.00 0.00 C ATOM 197 CG ASP A 17 -2.101 6.095 13.599 1.00 0.00 C ATOM 198 OD1 ASP A 17 -3.203 6.137 13.076 1.00 0.00 O ATOM 199 OD2 ASP A 17 -1.822 6.652 14.647 1.00 0.00 O ATOM 0 H ASP A 17 0.891 4.470 11.551 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.957 6.440 11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.442 4.435 12.392 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.300 4.911 13.632 1.00 0.00 H new ATOM 204 N ARG A 18 1.170 7.337 13.454 1.00 0.00 N ATOM 205 CA ARG A 18 1.696 8.492 14.169 1.00 0.00 C ATOM 206 C ARG A 18 2.257 9.518 13.189 1.00 0.00 C ATOM 207 O ARG A 18 1.891 10.692 13.228 1.00 0.00 O ATOM 208 CB ARG A 18 2.797 8.052 15.138 1.00 0.00 C ATOM 209 CG ARG A 18 2.190 7.173 16.234 1.00 0.00 C ATOM 210 CD ARG A 18 3.295 6.693 17.176 1.00 0.00 C ATOM 211 NE ARG A 18 3.672 7.757 18.099 1.00 0.00 N ATOM 212 CZ ARG A 18 4.252 7.486 19.263 1.00 0.00 C ATOM 213 NH1 ARG A 18 4.495 6.248 19.598 1.00 0.00 N ATOM 214 NH2 ARG A 18 4.579 8.456 20.072 1.00 0.00 N ATOM 0 H ARG A 18 1.616 6.451 13.691 1.00 0.00 H new ATOM 0 HA ARG A 18 0.882 8.950 14.731 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.570 7.501 14.602 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.277 8.925 15.581 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.441 7.735 16.792 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.681 6.318 15.789 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.953 5.822 17.735 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.164 6.379 16.598 1.00 0.00 H new ATOM 0 HE ARG A 18 3.487 8.728 17.846 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.240 5.489 18.966 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.940 6.039 20.492 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.389 9.424 19.811 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.024 8.247 20.965 1.00 0.00 H new ATOM 228 N GLU A 19 3.146 9.065 12.310 1.00 0.00 N ATOM 229 CA GLU A 19 3.748 9.953 11.322 1.00 0.00 C ATOM 230 C GLU A 19 2.682 10.830 10.671 1.00 0.00 C ATOM 231 O GLU A 19 2.672 12.048 10.850 1.00 0.00 O ATOM 232 CB GLU A 19 4.462 9.131 10.247 1.00 0.00 C ATOM 233 CG GLU A 19 5.771 8.574 10.812 1.00 0.00 C ATOM 234 CD GLU A 19 6.292 7.456 9.915 1.00 0.00 C ATOM 235 OE1 GLU A 19 5.723 7.260 8.854 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.253 6.812 10.302 1.00 0.00 O ATOM 0 H GLU A 19 3.463 8.097 12.262 1.00 0.00 H new ATOM 0 HA GLU A 19 4.470 10.593 11.828 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.821 8.315 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.666 9.753 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.513 9.369 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.609 8.196 11.822 1.00 0.00 H new ATOM 243 N LEU A 20 1.784 10.201 9.920 1.00 0.00 N ATOM 244 CA LEU A 20 0.716 10.937 9.252 1.00 0.00 C ATOM 245 C LEU A 20 -0.066 11.769 10.263 1.00 0.00 C ATOM 246 O LEU A 20 -0.084 12.998 10.189 1.00 0.00 O ATOM 247 CB LEU A 20 -0.228 9.962 8.542 1.00 0.00 C ATOM 248 CG LEU A 20 0.373 9.550 7.195 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.793 9.022 7.407 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.490 8.453 6.568 1.00 0.00 C ATOM 0 H LEU A 20 1.773 9.194 9.759 1.00 0.00 H new ATOM 0 HA LEU A 20 1.161 11.605 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.391 9.081 9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.201 10.429 8.389 1.00 0.00 H new ATOM 0 HG LEU A 20 0.404 10.414 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.219 8.729 6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.408 9.802 7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.764 8.158 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.064 8.158 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.520 7.589 7.232 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.502 8.829 6.415 1.00 0.00 H new ATOM 262 N ALA A 21 -0.709 11.091 11.210 1.00 0.00 N ATOM 263 CA ALA A 21 -1.490 11.777 12.235 1.00 0.00 C ATOM 264 C ALA A 21 -0.769 13.037 12.705 1.00 0.00 C ATOM 265 O ALA A 21 -1.395 14.071 12.941 1.00 0.00 O ATOM 266 CB ALA A 21 -1.720 10.845 13.426 1.00 0.00 C ATOM 0 H ALA A 21 -0.705 10.074 11.289 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.450 12.061 11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.303 11.364 14.187 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.261 9.959 13.095 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.759 10.547 13.846 1.00 0.00 H new ATOM 272 N LEU A 22 0.550 12.943 12.832 1.00 0.00 N ATOM 273 CA LEU A 22 1.348 14.083 13.268 1.00 0.00 C ATOM 274 C LEU A 22 1.323 15.176 12.207 1.00 0.00 C ATOM 275 O LEU A 22 1.078 16.344 12.508 1.00 0.00 O ATOM 276 CB LEU A 22 2.794 13.644 13.522 1.00 0.00 C ATOM 277 CG LEU A 22 3.523 14.708 14.354 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.276 14.463 15.847 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.027 14.634 14.074 1.00 0.00 C ATOM 0 H LEU A 22 1.086 12.096 12.641 1.00 0.00 H new ATOM 0 HA LEU A 22 0.924 14.474 14.193 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.807 12.688 14.046 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.310 13.495 12.574 1.00 0.00 H new ATOM 0 HG LEU A 22 3.145 15.693 14.082 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.796 15.222 16.431 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.207 14.517 16.053 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.649 13.476 16.120 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.545 15.390 14.665 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.399 13.645 14.343 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.209 14.814 13.015 1.00 0.00 H new ATOM 291 N ARG A 23 1.573 14.785 10.961 1.00 0.00 N ATOM 292 CA ARG A 23 1.568 15.740 9.860 1.00 0.00 C ATOM 293 C ARG A 23 0.229 16.463 9.799 1.00 0.00 C ATOM 294 O ARG A 23 0.169 17.692 9.867 1.00 0.00 O ATOM 295 CB ARG A 23 1.820 15.012 8.536 1.00 0.00 C ATOM 296 CG ARG A 23 3.319 14.762 8.362 1.00 0.00 C ATOM 297 CD ARG A 23 3.559 13.972 7.073 1.00 0.00 C ATOM 298 NE ARG A 23 2.875 14.612 5.955 1.00 0.00 N ATOM 299 CZ ARG A 23 2.848 14.048 4.752 1.00 0.00 C ATOM 300 NH1 ARG A 23 3.441 12.902 4.556 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.230 14.640 3.767 1.00 0.00 N ATOM 0 H ARG A 23 1.780 13.823 10.691 1.00 0.00 H new ATOM 0 HA ARG A 23 2.360 16.470 10.026 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.280 14.065 8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.442 15.607 7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.855 15.711 8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.708 14.210 9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.628 13.912 6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.199 12.950 7.192 1.00 0.00 H new ATOM 0 HE ARG A 23 2.409 15.508 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.925 12.440 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.421 12.469 3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.767 15.536 3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.210 14.207 2.844 1.00 0.00 H new ATOM 315 N ILE A 24 -0.846 15.692 9.676 1.00 0.00 N ATOM 316 CA ILE A 24 -2.180 16.272 9.615 1.00 0.00 C ATOM 317 C ILE A 24 -2.377 17.247 10.767 1.00 0.00 C ATOM 318 O ILE A 24 -2.700 18.416 10.557 1.00 0.00 O ATOM 319 CB ILE A 24 -3.238 15.171 9.686 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.897 14.071 8.677 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.611 15.758 9.354 1.00 0.00 C ATOM 322 CD1 ILE A 24 -4.035 13.049 8.627 1.00 0.00 C ATOM 0 H ILE A 24 -0.820 14.674 9.617 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.286 16.806 8.671 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.257 14.751 10.692 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.741 14.505 7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.966 13.580 8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.365 14.972 9.405 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.855 16.542 10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.593 16.179 8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.790 12.267 7.908 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.170 12.606 9.614 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.957 13.545 8.323 1.00 0.00 H new ATOM 334 N ALA A 25 -2.173 16.760 11.987 1.00 0.00 N ATOM 335 CA ALA A 25 -2.324 17.601 13.168 1.00 0.00 C ATOM 336 C ALA A 25 -1.631 18.942 12.953 1.00 0.00 C ATOM 337 O ALA A 25 -2.200 19.999 13.226 1.00 0.00 O ATOM 338 CB ALA A 25 -1.723 16.903 14.389 1.00 0.00 C ATOM 0 H ALA A 25 -1.905 15.795 12.182 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.387 17.773 13.339 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.841 17.539 15.266 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.236 15.956 14.556 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.663 16.716 14.216 1.00 0.00 H new ATOM 344 N GLN A 26 -0.401 18.887 12.454 1.00 0.00 N ATOM 345 CA GLN A 26 0.363 20.101 12.197 1.00 0.00 C ATOM 346 C GLN A 26 -0.240 20.868 11.024 1.00 0.00 C ATOM 347 O GLN A 26 -0.048 22.077 10.895 1.00 0.00 O ATOM 348 CB GLN A 26 1.818 19.746 11.884 1.00 0.00 C ATOM 349 CG GLN A 26 2.519 19.291 13.164 1.00 0.00 C ATOM 350 CD GLN A 26 3.841 18.612 12.822 1.00 0.00 C ATOM 351 OE1 GLN A 26 4.910 19.146 13.116 1.00 0.00 O ATOM 352 NE2 GLN A 26 3.832 17.458 12.212 1.00 0.00 N ATOM 0 H GLN A 26 0.085 18.021 12.221 1.00 0.00 H new ATOM 0 HA GLN A 26 0.328 20.729 13.087 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.857 18.955 11.135 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.332 20.610 11.463 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.698 20.147 13.814 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.878 18.602 13.714 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.945 17.017 11.969 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.712 16.998 11.978 1.00 0.00 H new ATOM 361 N SER A 27 -0.973 20.156 10.174 1.00 0.00 N ATOM 362 CA SER A 27 -1.604 20.781 9.018 1.00 0.00 C ATOM 363 C SER A 27 -2.789 21.626 9.465 1.00 0.00 C ATOM 364 O SER A 27 -2.896 22.801 9.114 1.00 0.00 O ATOM 365 CB SER A 27 -2.074 19.709 8.032 1.00 0.00 C ATOM 366 OG SER A 27 -2.272 20.301 6.756 1.00 0.00 O ATOM 0 H SER A 27 -1.144 19.154 10.263 1.00 0.00 H new ATOM 0 HA SER A 27 -0.875 21.423 8.524 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.335 18.911 7.965 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.001 19.256 8.384 1.00 0.00 H new ATOM 0 HG SER A 27 -1.808 19.771 6.074 1.00 0.00 H new ATOM 372 N GLU A 28 -3.671 21.020 10.252 1.00 0.00 N ATOM 373 CA GLU A 28 -4.840 21.727 10.755 1.00 0.00 C ATOM 374 C GLU A 28 -4.404 22.846 11.692 1.00 0.00 C ATOM 375 O GLU A 28 -4.984 23.932 11.697 1.00 0.00 O ATOM 376 CB GLU A 28 -5.757 20.757 11.506 1.00 0.00 C ATOM 377 CG GLU A 28 -5.646 19.360 10.892 1.00 0.00 C ATOM 378 CD GLU A 28 -6.932 18.573 11.136 1.00 0.00 C ATOM 379 OE1 GLU A 28 -7.044 17.976 12.194 1.00 0.00 O ATOM 380 OE2 GLU A 28 -7.782 18.579 10.261 1.00 0.00 O ATOM 0 H GLU A 28 -3.599 20.048 10.553 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.384 22.153 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.482 20.724 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.789 21.105 11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.457 19.439 9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.799 18.830 11.327 1.00 0.00 H new ATOM 387 N ALA A 29 -3.376 22.565 12.485 1.00 0.00 N ATOM 388 CA ALA A 29 -2.863 23.547 13.428 1.00 0.00 C ATOM 389 C ALA A 29 -2.282 24.746 12.686 1.00 0.00 C ATOM 390 O ALA A 29 -2.528 25.894 13.055 1.00 0.00 O ATOM 391 CB ALA A 29 -1.781 22.913 14.306 1.00 0.00 C ATOM 0 H ALA A 29 -2.885 21.671 12.493 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.686 23.886 14.057 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.402 23.655 15.009 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.205 22.074 14.857 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.964 22.558 13.678 1.00 0.00 H new ATOM 397 N GLU A 30 -1.512 24.471 11.637 1.00 0.00 N ATOM 398 CA GLU A 30 -0.904 25.537 10.849 1.00 0.00 C ATOM 399 C GLU A 30 -1.946 26.191 9.947 1.00 0.00 C ATOM 400 O GLU A 30 -1.806 27.350 9.558 1.00 0.00 O ATOM 401 CB GLU A 30 0.233 24.972 9.996 1.00 0.00 C ATOM 402 CG GLU A 30 1.428 24.640 10.892 1.00 0.00 C ATOM 403 CD GLU A 30 2.517 23.951 10.076 1.00 0.00 C ATOM 404 OE1 GLU A 30 2.228 23.548 8.961 1.00 0.00 O ATOM 405 OE2 GLU A 30 3.622 23.838 10.578 1.00 0.00 O ATOM 0 H GLU A 30 -1.296 23.527 11.315 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.505 26.289 11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.102 24.077 9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.525 25.696 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.821 25.552 11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.111 23.993 11.710 1.00 0.00 H new ATOM 412 N LEU A 31 -2.994 25.439 9.625 1.00 0.00 N ATOM 413 CA LEU A 31 -4.061 25.952 8.772 1.00 0.00 C ATOM 414 C LEU A 31 -3.499 26.453 7.444 1.00 0.00 C ATOM 415 O LEU A 31 -3.967 27.453 6.901 1.00 0.00 O ATOM 416 CB LEU A 31 -4.791 27.095 9.486 1.00 0.00 C ATOM 417 CG LEU A 31 -6.176 27.304 8.855 1.00 0.00 C ATOM 418 CD1 LEU A 31 -7.193 26.364 9.508 1.00 0.00 C ATOM 419 CD2 LEU A 31 -6.620 28.754 9.070 1.00 0.00 C ATOM 0 H LEU A 31 -3.127 24.478 9.940 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.761 25.141 8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.896 26.865 10.546 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.207 28.012 9.415 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.119 27.089 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.173 26.517 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.882 25.330 9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.249 26.574 10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.603 28.904 8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.672 28.964 10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.902 29.428 8.602 1.00 0.00 H new ATOM 450 N SER A 33 -2.611 24.010 4.737 1.00 0.00 N ATOM 451 CA SER A 33 -3.160 23.122 3.719 1.00 0.00 C ATOM 452 C SER A 33 -4.684 23.154 3.744 1.00 0.00 C ATOM 453 O SER A 33 -5.339 22.118 3.633 1.00 0.00 O ATOM 454 CB SER A 33 -2.677 21.692 3.960 1.00 0.00 C ATOM 455 OG SER A 33 -3.531 21.060 4.904 1.00 0.00 O ATOM 0 HA SER A 33 -2.816 23.464 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.675 21.134 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.651 21.700 4.329 1.00 0.00 H new ATOM 0 HG SER A 33 -3.060 20.964 5.758 1.00 0.00 H new ATOM 461 N ASP A 34 -5.241 24.350 3.891 1.00 0.00 N ATOM 462 CA ASP A 34 -6.690 24.507 3.928 1.00 0.00 C ATOM 463 C ASP A 34 -7.323 23.895 2.684 1.00 0.00 C ATOM 464 O ASP A 34 -8.507 23.556 2.680 1.00 0.00 O ATOM 465 CB ASP A 34 -7.052 25.991 4.011 1.00 0.00 C ATOM 466 CG ASP A 34 -8.513 26.150 4.418 1.00 0.00 C ATOM 467 OD1 ASP A 34 -9.359 25.581 3.749 1.00 0.00 O ATOM 468 OD2 ASP A 34 -8.764 26.838 5.394 1.00 0.00 O ATOM 0 H ASP A 34 -4.716 25.219 3.986 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.072 23.991 4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.408 26.491 4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.880 26.470 3.047 1.00 0.00 H new ATOM 473 N GLU A 35 -6.527 23.756 1.630 1.00 0.00 N ATOM 474 CA GLU A 35 -7.017 23.183 0.382 1.00 0.00 C ATOM 475 C GLU A 35 -7.457 21.737 0.594 1.00 0.00 C ATOM 476 O GLU A 35 -8.477 21.304 0.057 1.00 0.00 O ATOM 477 CB GLU A 35 -5.919 23.236 -0.683 1.00 0.00 C ATOM 478 CG GLU A 35 -4.790 22.275 -0.305 1.00 0.00 C ATOM 479 CD GLU A 35 -3.552 22.568 -1.146 1.00 0.00 C ATOM 480 OE1 GLU A 35 -3.574 23.546 -1.874 1.00 0.00 O ATOM 481 OE2 GLU A 35 -2.602 21.809 -1.050 1.00 0.00 O ATOM 0 H GLU A 35 -5.545 24.031 1.614 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.875 23.766 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.329 22.966 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.532 24.251 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.553 22.378 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.110 21.245 -0.461 1.00 0.00 H new ATOM 488 N ALA A 36 -6.680 20.996 1.378 1.00 0.00 N ATOM 489 CA ALA A 36 -7.001 19.600 1.653 1.00 0.00 C ATOM 490 C ALA A 36 -8.315 19.494 2.420 1.00 0.00 C ATOM 491 O ALA A 36 -9.219 18.758 2.025 1.00 0.00 O ATOM 492 CB ALA A 36 -5.878 18.957 2.469 1.00 0.00 C ATOM 0 H ALA A 36 -5.831 21.335 1.830 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.105 19.076 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.125 17.915 2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.945 19.007 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.762 19.491 3.412 1.00 0.00 H new ATOM 498 N GLN A 37 -8.414 20.235 3.518 1.00 0.00 N ATOM 499 CA GLN A 37 -9.624 20.217 4.334 1.00 0.00 C ATOM 500 C GLN A 37 -10.846 20.544 3.483 1.00 0.00 C ATOM 501 O GLN A 37 -11.863 19.854 3.547 1.00 0.00 O ATOM 502 CB GLN A 37 -9.504 21.235 5.470 1.00 0.00 C ATOM 503 CG GLN A 37 -8.313 20.871 6.359 1.00 0.00 C ATOM 504 CD GLN A 37 -8.578 19.547 7.069 1.00 0.00 C ATOM 505 OE1 GLN A 37 -9.543 19.430 7.825 1.00 0.00 O ATOM 506 NE2 GLN A 37 -7.774 18.539 6.871 1.00 0.00 N ATOM 0 H GLN A 37 -7.678 20.851 3.862 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.743 19.218 4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.374 22.237 5.062 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.421 21.248 6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.408 20.795 5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.142 21.659 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.976 18.639 6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.944 17.651 7.343 1.00 0.00 H new ATOM 515 N ALA A 38 -10.741 21.603 2.684 1.00 0.00 N ATOM 516 CA ALA A 38 -11.845 22.012 1.825 1.00 0.00 C ATOM 517 C ALA A 38 -12.249 20.873 0.894 1.00 0.00 C ATOM 518 O ALA A 38 -13.397 20.429 0.902 1.00 0.00 O ATOM 519 CB ALA A 38 -11.437 23.231 0.995 1.00 0.00 C ATOM 0 H ALA A 38 -9.909 22.189 2.615 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.695 22.270 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.268 23.530 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.177 24.054 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.576 22.978 0.376 1.00 0.00 H new ATOM 525 N ASP A 39 -11.297 20.404 0.094 1.00 0.00 N ATOM 526 CA ASP A 39 -11.565 19.315 -0.840 1.00 0.00 C ATOM 527 C ASP A 39 -12.314 18.184 -0.143 1.00 0.00 C ATOM 528 O ASP A 39 -13.445 17.860 -0.504 1.00 0.00 O ATOM 529 CB ASP A 39 -10.250 18.782 -1.411 1.00 0.00 C ATOM 530 CG ASP A 39 -10.525 17.911 -2.632 1.00 0.00 C ATOM 531 OD1 ASP A 39 -11.418 18.254 -3.390 1.00 0.00 O ATOM 532 OD2 ASP A 39 -9.842 16.913 -2.790 1.00 0.00 O ATOM 0 H ASP A 39 -10.340 20.757 0.073 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.184 19.700 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.600 19.613 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.723 18.203 -0.653 1.00 0.00 H new ATOM 537 N LEU A 40 -11.675 17.588 0.859 1.00 0.00 N ATOM 538 CA LEU A 40 -12.290 16.494 1.601 1.00 0.00 C ATOM 539 C LEU A 40 -13.717 16.855 2.001 1.00 0.00 C ATOM 540 O LEU A 40 -14.647 16.077 1.790 1.00 0.00 O ATOM 541 CB LEU A 40 -11.469 16.187 2.856 1.00 0.00 C ATOM 542 CG LEU A 40 -10.022 15.857 2.467 1.00 0.00 C ATOM 543 CD1 LEU A 40 -9.100 16.103 3.663 1.00 0.00 C ATOM 544 CD2 LEU A 40 -9.921 14.387 2.044 1.00 0.00 C ATOM 0 H LEU A 40 -10.739 17.842 1.174 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.315 15.613 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.487 17.043 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.911 15.348 3.393 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.721 16.495 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.073 15.868 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.165 17.149 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.405 15.468 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.892 14.158 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.226 13.748 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.574 14.209 1.189 1.00 0.00 H new ATOM 556 N ALA A 41 -13.882 18.040 2.580 1.00 0.00 N ATOM 557 CA ALA A 41 -15.200 18.495 3.006 1.00 0.00 C ATOM 558 C ALA A 41 -16.204 18.376 1.864 1.00 0.00 C ATOM 559 O ALA A 41 -17.270 17.781 2.020 1.00 0.00 O ATOM 560 CB ALA A 41 -15.125 19.949 3.473 1.00 0.00 C ATOM 0 H ALA A 41 -13.125 18.698 2.764 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.531 17.865 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.114 20.281 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.431 20.027 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.777 20.577 2.653 1.00 0.00 H new ATOM 566 N LEU A 42 -15.855 18.948 0.715 1.00 0.00 N ATOM 567 CA LEU A 42 -16.734 18.901 -0.447 1.00 0.00 C ATOM 568 C LEU A 42 -16.905 17.464 -0.931 1.00 0.00 C ATOM 569 O LEU A 42 -17.894 17.132 -1.585 1.00 0.00 O ATOM 570 CB LEU A 42 -16.154 19.755 -1.579 1.00 0.00 C ATOM 571 CG LEU A 42 -15.887 21.177 -1.073 1.00 0.00 C ATOM 572 CD1 LEU A 42 -14.961 21.900 -2.053 1.00 0.00 C ATOM 573 CD2 LEU A 42 -17.208 21.945 -0.964 1.00 0.00 C ATOM 0 H LEU A 42 -14.977 19.445 0.565 1.00 0.00 H new ATOM 0 HA LEU A 42 -17.708 19.295 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -15.229 19.310 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -16.849 19.782 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 42 -15.416 21.127 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -14.770 22.912 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.018 21.358 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.434 21.946 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.013 22.955 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -17.682 21.994 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -17.870 21.433 -0.266 1.00 0.00 H new ATOM 585 N ARG A 43 -15.934 16.616 -0.607 1.00 0.00 N ATOM 586 CA ARG A 43 -15.987 15.217 -1.016 1.00 0.00 C ATOM 587 C ARG A 43 -16.989 14.446 -0.162 1.00 0.00 C ATOM 588 O ARG A 43 -17.850 13.738 -0.684 1.00 0.00 O ATOM 589 CB ARG A 43 -14.600 14.581 -0.879 1.00 0.00 C ATOM 590 CG ARG A 43 -14.544 13.277 -1.688 1.00 0.00 C ATOM 591 CD ARG A 43 -14.113 13.576 -3.127 1.00 0.00 C ATOM 592 NE ARG A 43 -14.455 12.458 -3.999 1.00 0.00 N ATOM 593 CZ ARG A 43 -14.523 12.611 -5.317 1.00 0.00 C ATOM 594 NH1 ARG A 43 -14.282 13.776 -5.853 1.00 0.00 N ATOM 595 NH2 ARG A 43 -14.832 11.595 -6.076 1.00 0.00 N ATOM 0 H ARG A 43 -15.107 16.870 -0.067 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.306 15.174 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.836 15.273 -1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.385 14.378 0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.843 12.582 -1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.521 12.794 -1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.602 14.484 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.039 13.758 -3.162 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.645 11.543 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.041 14.570 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.334 13.892 -6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.021 10.684 -5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.884 11.712 -7.088 1.00 0.00 H new ATOM 609 N ARG A 44 -16.870 14.588 1.154 1.00 0.00 N ATOM 610 CA ARG A 44 -17.770 13.899 2.072 1.00 0.00 C ATOM 611 C ARG A 44 -19.125 14.597 2.120 1.00 0.00 C ATOM 612 O ARG A 44 -19.954 14.306 2.982 1.00 0.00 O ATOM 613 CB ARG A 44 -17.160 13.868 3.475 1.00 0.00 C ATOM 614 CG ARG A 44 -16.991 15.297 3.988 1.00 0.00 C ATOM 615 CD ARG A 44 -16.139 15.283 5.259 1.00 0.00 C ATOM 616 NE ARG A 44 -16.892 14.700 6.365 1.00 0.00 N ATOM 617 CZ ARG A 44 -16.303 14.416 7.522 1.00 0.00 C ATOM 618 NH1 ARG A 44 -15.031 14.658 7.683 1.00 0.00 N ATOM 619 NH2 ARG A 44 -16.998 13.896 8.496 1.00 0.00 N ATOM 0 H ARG A 44 -16.165 15.170 1.606 1.00 0.00 H new ATOM 0 HA ARG A 44 -17.913 12.879 1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -17.802 13.301 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.195 13.362 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.517 15.915 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -17.966 15.738 4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.228 14.710 5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.834 16.298 5.512 1.00 0.00 H new ATOM 0 HE ARG A 44 -17.887 14.507 6.248 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.489 15.065 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.579 14.440 8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.992 13.708 8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.547 13.678 9.384 1.00 0.00 H new ATOM 633 N SER A 45 -19.343 15.520 1.189 1.00 0.00 N ATOM 634 CA SER A 45 -20.602 16.254 1.136 1.00 0.00 C ATOM 635 C SER A 45 -21.752 15.321 0.770 1.00 0.00 C ATOM 636 O SER A 45 -21.998 15.055 -0.407 1.00 0.00 O ATOM 637 CB SER A 45 -20.508 17.378 0.103 1.00 0.00 C ATOM 638 OG SER A 45 -20.368 16.814 -1.194 1.00 0.00 O ATOM 0 H SER A 45 -18.670 15.776 0.466 1.00 0.00 H new ATOM 0 HA SER A 45 -20.794 16.680 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 45 -21.400 18.002 0.146 1.00 0.00 H new ATOM 0 HB3 SER A 45 -19.657 18.022 0.326 1.00 0.00 H new ATOM 0 HG SER A 45 -19.435 16.550 -1.337 1.00 0.00 H new ATOM 644 N LEU A 46 -22.455 14.829 1.786 1.00 0.00 N ATOM 645 CA LEU A 46 -23.578 13.927 1.559 1.00 0.00 C ATOM 646 C LEU A 46 -24.825 14.716 1.169 1.00 0.00 C ATOM 647 O LEU A 46 -25.740 14.181 0.543 1.00 0.00 O ATOM 648 CB LEU A 46 -23.859 13.114 2.827 1.00 0.00 C ATOM 649 CG LEU A 46 -24.680 11.865 2.474 1.00 0.00 C ATOM 650 CD1 LEU A 46 -23.740 10.716 2.095 1.00 0.00 C ATOM 651 CD2 LEU A 46 -25.523 11.448 3.683 1.00 0.00 C ATOM 0 H LEU A 46 -22.269 15.038 2.767 1.00 0.00 H new ATOM 0 HA LEU A 46 -23.320 13.250 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -22.920 12.822 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -24.401 13.725 3.549 1.00 0.00 H new ATOM 0 HG LEU A 46 -25.333 12.093 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -24.328 9.832 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -23.139 11.007 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -23.084 10.490 2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -26.106 10.562 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -24.867 11.225 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -26.197 12.260 3.954 1.00 0.00 H new ATOM 663 N ASP A 47 -24.851 15.992 1.542 1.00 0.00 N ATOM 664 CA ASP A 47 -25.988 16.848 1.227 1.00 0.00 C ATOM 665 C ASP A 47 -25.945 17.278 -0.234 1.00 0.00 C ATOM 666 O ASP A 47 -26.572 18.264 -0.622 1.00 0.00 O ATOM 667 CB ASP A 47 -25.969 18.088 2.122 1.00 0.00 C ATOM 668 CG ASP A 47 -27.321 18.789 2.072 1.00 0.00 C ATOM 669 OD1 ASP A 47 -28.305 18.163 2.430 1.00 0.00 O ATOM 670 OD2 ASP A 47 -27.354 19.943 1.677 1.00 0.00 O ATOM 0 H ASP A 47 -24.103 16.453 2.059 1.00 0.00 H new ATOM 0 HA ASP A 47 -26.904 16.284 1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -25.736 17.802 3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -25.184 18.770 1.795 1.00 0.00 H new ATOM 675 N SER A 48 -25.196 16.533 -1.040 1.00 0.00 N ATOM 676 CA SER A 48 -25.069 16.843 -2.460 1.00 0.00 C ATOM 677 C SER A 48 -26.408 17.289 -3.040 1.00 0.00 C ATOM 678 O SER A 48 -26.611 18.470 -3.321 1.00 0.00 O ATOM 679 CB SER A 48 -24.570 15.612 -3.213 1.00 0.00 C ATOM 680 OG SER A 48 -24.655 15.850 -4.612 1.00 0.00 O ATOM 0 H SER A 48 -24.670 15.714 -0.736 1.00 0.00 H new ATOM 0 HA SER A 48 -24.354 17.658 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 48 -23.540 15.392 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 48 -25.167 14.740 -2.944 1.00 0.00 H new ATOM 0 HG SER A 48 -24.334 15.062 -5.098 1.00 0.00 H new ATOM 894 N THR A 62 -36.958 15.330 18.053 1.00 0.00 N ATOM 895 CA THR A 62 -36.949 15.334 19.511 1.00 0.00 C ATOM 896 C THR A 62 -35.511 15.364 20.031 1.00 0.00 C ATOM 897 O THR A 62 -34.605 14.834 19.389 1.00 0.00 O ATOM 898 CB THR A 62 -37.662 14.084 20.040 1.00 0.00 C ATOM 899 OG1 THR A 62 -36.729 13.017 20.137 1.00 0.00 O ATOM 900 CG2 THR A 62 -38.789 13.692 19.084 1.00 0.00 C ATOM 0 HA THR A 62 -37.472 16.224 19.862 1.00 0.00 H new ATOM 0 HB THR A 62 -38.082 14.294 21.024 1.00 0.00 H new ATOM 0 HG1 THR A 62 -37.181 12.217 20.476 1.00 0.00 H new ATOM 0 HG21 THR A 62 -39.294 12.803 19.462 1.00 0.00 H new ATOM 0 HG22 THR A 62 -39.504 14.511 19.009 1.00 0.00 H new ATOM 0 HG23 THR A 62 -38.373 13.481 18.099 1.00 0.00 H new ATOM 908 N PRO A 63 -35.284 15.968 21.171 1.00 0.00 N ATOM 909 CA PRO A 63 -33.925 16.058 21.773 1.00 0.00 C ATOM 910 C PRO A 63 -33.120 14.774 21.578 1.00 0.00 C ATOM 911 O PRO A 63 -31.904 14.816 21.393 1.00 0.00 O ATOM 912 CB PRO A 63 -34.215 16.309 23.251 1.00 0.00 C ATOM 913 CG PRO A 63 -35.516 17.048 23.276 1.00 0.00 C ATOM 914 CD PRO A 63 -36.291 16.633 22.017 1.00 0.00 C ATOM 0 HA PRO A 63 -33.317 16.836 21.312 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -34.284 15.372 23.803 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -33.421 16.894 23.714 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -36.081 16.803 24.175 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -35.348 18.125 23.288 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -37.113 15.960 22.260 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -36.725 17.497 21.514 1.00 0.00 H new ATOM 922 N GLU A 64 -33.807 13.637 21.626 1.00 0.00 N ATOM 923 CA GLU A 64 -33.144 12.349 21.456 1.00 0.00 C ATOM 924 C GLU A 64 -32.639 12.189 20.025 1.00 0.00 C ATOM 925 O GLU A 64 -31.492 11.799 19.802 1.00 0.00 O ATOM 926 CB GLU A 64 -34.115 11.215 21.786 1.00 0.00 C ATOM 927 CG GLU A 64 -33.337 9.906 21.942 1.00 0.00 C ATOM 928 CD GLU A 64 -32.593 9.897 23.273 1.00 0.00 C ATOM 929 OE1 GLU A 64 -33.227 10.149 24.285 1.00 0.00 O ATOM 930 OE2 GLU A 64 -31.401 9.639 23.261 1.00 0.00 O ATOM 0 H GLU A 64 -34.814 13.581 21.780 1.00 0.00 H new ATOM 0 HA GLU A 64 -32.293 12.308 22.135 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -34.656 11.441 22.705 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -34.858 11.117 20.995 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -34.021 9.059 21.893 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -32.630 9.793 21.120 1.00 0.00 H new ATOM 937 N GLN A 65 -33.503 12.486 19.060 1.00 0.00 N ATOM 938 CA GLN A 65 -33.132 12.367 17.655 1.00 0.00 C ATOM 939 C GLN A 65 -31.874 13.178 17.359 1.00 0.00 C ATOM 940 O GLN A 65 -30.848 12.624 16.963 1.00 0.00 O ATOM 941 CB GLN A 65 -34.278 12.859 16.768 1.00 0.00 C ATOM 942 CG GLN A 65 -35.470 11.907 16.897 1.00 0.00 C ATOM 943 CD GLN A 65 -36.514 12.232 15.835 1.00 0.00 C ATOM 944 OE1 GLN A 65 -37.408 13.046 16.070 1.00 0.00 O ATOM 945 NE2 GLN A 65 -36.456 11.640 14.674 1.00 0.00 N ATOM 0 H GLN A 65 -34.457 12.808 19.223 1.00 0.00 H new ATOM 0 HA GLN A 65 -32.931 11.317 17.442 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -34.571 13.867 17.061 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -33.951 12.911 15.729 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -35.136 10.875 16.786 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -35.910 11.995 17.890 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -35.715 10.966 14.482 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -37.152 11.851 13.959 1.00 0.00 H new ATOM 954 N MET A 66 -31.959 14.490 17.551 1.00 0.00 N ATOM 955 CA MET A 66 -30.818 15.363 17.297 1.00 0.00 C ATOM 956 C MET A 66 -29.620 14.942 18.141 1.00 0.00 C ATOM 957 O MET A 66 -28.487 14.927 17.661 1.00 0.00 O ATOM 958 CB MET A 66 -31.188 16.816 17.615 1.00 0.00 C ATOM 959 CG MET A 66 -31.604 16.938 19.084 1.00 0.00 C ATOM 960 SD MET A 66 -30.138 17.236 20.104 1.00 0.00 S ATOM 961 CE MET A 66 -30.184 19.044 20.047 1.00 0.00 C ATOM 0 H MET A 66 -32.798 14.969 17.879 1.00 0.00 H new ATOM 0 HA MET A 66 -30.550 15.280 16.244 1.00 0.00 H new ATOM 0 HB2 MET A 66 -30.339 17.469 17.413 1.00 0.00 H new ATOM 0 HB3 MET A 66 -32.003 17.143 16.969 1.00 0.00 H new ATOM 0 HG2 MET A 66 -32.316 17.754 19.205 1.00 0.00 H new ATOM 0 HG3 MET A 66 -32.106 16.026 19.408 1.00 0.00 H new ATOM 0 HE1 MET A 66 -29.351 19.447 20.623 1.00 0.00 H new ATOM 0 HE2 MET A 66 -30.105 19.378 19.012 1.00 0.00 H new ATOM 0 HE3 MET A 66 -31.124 19.398 20.471 1.00 0.00 H new ATOM 971 N ALA A 67 -29.875 14.597 19.400 1.00 0.00 N ATOM 972 CA ALA A 67 -28.805 14.175 20.296 1.00 0.00 C ATOM 973 C ALA A 67 -28.098 12.944 19.739 1.00 0.00 C ATOM 974 O ALA A 67 -26.897 12.972 19.472 1.00 0.00 O ATOM 975 CB ALA A 67 -29.372 13.858 21.680 1.00 0.00 C ATOM 0 H ALA A 67 -30.805 14.601 19.819 1.00 0.00 H new ATOM 0 HA ALA A 67 -28.085 14.989 20.380 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -28.564 13.544 22.341 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -29.851 14.747 22.089 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -30.106 13.056 21.598 1.00 0.00 H new ATOM 981 N LYS A 68 -28.853 11.863 19.564 1.00 0.00 N ATOM 982 CA LYS A 68 -28.288 10.627 19.036 1.00 0.00 C ATOM 983 C LYS A 68 -27.532 10.899 17.740 1.00 0.00 C ATOM 984 O LYS A 68 -26.444 10.366 17.520 1.00 0.00 O ATOM 985 CB LYS A 68 -29.404 9.611 18.777 1.00 0.00 C ATOM 986 CG LYS A 68 -28.805 8.205 18.628 1.00 0.00 C ATOM 987 CD LYS A 68 -28.710 7.535 20.003 1.00 0.00 C ATOM 988 CE LYS A 68 -27.780 6.323 19.919 1.00 0.00 C ATOM 989 NZ LYS A 68 -26.363 6.783 19.915 1.00 0.00 N ATOM 0 H LYS A 68 -29.849 11.818 19.778 1.00 0.00 H new ATOM 0 HA LYS A 68 -27.593 10.221 19.771 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -30.119 9.626 19.599 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -29.951 9.881 17.874 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -29.424 7.604 17.962 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -27.816 8.267 18.174 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -28.334 8.245 20.740 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -29.700 7.224 20.337 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -27.955 5.658 20.764 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -27.991 5.752 19.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -25.735 5.974 20.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -26.135 7.197 18.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -26.228 7.499 20.657 1.00 0.00 H new ATOM 1003 N GLU A 69 -28.114 11.735 16.886 1.00 0.00 N ATOM 1004 CA GLU A 69 -27.485 12.073 15.614 1.00 0.00 C ATOM 1005 C GLU A 69 -26.142 12.758 15.850 1.00 0.00 C ATOM 1006 O GLU A 69 -25.104 12.284 15.387 1.00 0.00 O ATOM 1007 CB GLU A 69 -28.398 13.001 14.810 1.00 0.00 C ATOM 1008 CG GLU A 69 -29.568 12.197 14.236 1.00 0.00 C ATOM 1009 CD GLU A 69 -29.078 11.294 13.111 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -28.810 11.810 12.038 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -28.977 10.100 13.338 1.00 0.00 O ATOM 0 H GLU A 69 -29.013 12.188 17.050 1.00 0.00 H new ATOM 0 HA GLU A 69 -27.320 11.153 15.054 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -28.772 13.802 15.448 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.836 13.472 14.003 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -30.027 11.597 15.021 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -30.336 12.874 13.862 1.00 0.00 H new ATOM 1018 N MET A 70 -26.170 13.873 16.571 1.00 0.00 N ATOM 1019 CA MET A 70 -24.947 14.614 16.862 1.00 0.00 C ATOM 1020 C MET A 70 -23.869 13.677 17.396 1.00 0.00 C ATOM 1021 O MET A 70 -22.724 13.712 16.946 1.00 0.00 O ATOM 1022 CB MET A 70 -25.232 15.709 17.892 1.00 0.00 C ATOM 1023 CG MET A 70 -26.011 16.846 17.229 1.00 0.00 C ATOM 1024 SD MET A 70 -26.414 18.103 18.468 1.00 0.00 S ATOM 1025 CE MET A 70 -26.357 19.537 17.366 1.00 0.00 C ATOM 0 H MET A 70 -27.019 14.282 16.962 1.00 0.00 H new ATOM 0 HA MET A 70 -24.591 15.070 15.938 1.00 0.00 H new ATOM 0 HB2 MET A 70 -25.804 15.299 18.724 1.00 0.00 H new ATOM 0 HB3 MET A 70 -24.296 16.087 18.304 1.00 0.00 H new ATOM 0 HG2 MET A 70 -25.419 17.287 16.427 1.00 0.00 H new ATOM 0 HG3 MET A 70 -26.924 16.460 16.776 1.00 0.00 H new ATOM 0 HE1 MET A 70 -26.580 20.441 17.933 1.00 0.00 H new ATOM 0 HE2 MET A 70 -25.362 19.620 16.928 1.00 0.00 H new ATOM 0 HE3 MET A 70 -27.094 19.415 16.572 1.00 0.00 H new ATOM 1035 N SER A 71 -24.242 12.840 18.359 1.00 0.00 N ATOM 1036 CA SER A 71 -23.298 11.898 18.947 1.00 0.00 C ATOM 1037 C SER A 71 -22.794 10.917 17.893 1.00 0.00 C ATOM 1038 O SER A 71 -21.632 10.510 17.917 1.00 0.00 O ATOM 1039 CB SER A 71 -23.970 11.128 20.084 1.00 0.00 C ATOM 1040 OG SER A 71 -22.973 10.474 20.861 1.00 0.00 O ATOM 0 H SER A 71 -25.185 12.795 18.746 1.00 0.00 H new ATOM 0 HA SER A 71 -22.450 12.459 19.340 1.00 0.00 H new ATOM 0 HB2 SER A 71 -24.546 11.810 20.710 1.00 0.00 H new ATOM 0 HB3 SER A 71 -24.670 10.397 19.680 1.00 0.00 H new ATOM 0 HG SER A 71 -23.400 9.980 21.592 1.00 0.00 H new ATOM 1046 N GLU A 72 -23.674 10.541 16.973 1.00 0.00 N ATOM 1047 CA GLU A 72 -23.306 9.606 15.916 1.00 0.00 C ATOM 1048 C GLU A 72 -22.490 10.309 14.835 1.00 0.00 C ATOM 1049 O GLU A 72 -21.632 9.700 14.196 1.00 0.00 O ATOM 1050 CB GLU A 72 -24.566 9.001 15.291 1.00 0.00 C ATOM 1051 CG GLU A 72 -24.169 7.904 14.301 1.00 0.00 C ATOM 1052 CD GLU A 72 -25.418 7.252 13.718 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -26.496 7.536 14.213 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -25.277 6.477 12.787 1.00 0.00 O ATOM 0 H GLU A 72 -24.640 10.866 16.937 1.00 0.00 H new ATOM 0 HA GLU A 72 -22.700 8.814 16.355 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -25.208 8.588 16.069 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -25.140 9.775 14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -23.562 8.327 13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -23.557 7.154 14.802 1.00 0.00 H new ATOM 1061 N PHE A 73 -22.763 11.595 14.638 1.00 0.00 N ATOM 1062 CA PHE A 73 -22.049 12.372 13.631 1.00 0.00 C ATOM 1063 C PHE A 73 -20.683 12.805 14.157 1.00 0.00 C ATOM 1064 O PHE A 73 -19.659 12.585 13.510 1.00 0.00 O ATOM 1065 CB PHE A 73 -22.866 13.608 13.250 1.00 0.00 C ATOM 1066 CG PHE A 73 -22.317 14.202 11.974 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -21.140 14.960 12.004 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -22.984 13.994 10.760 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -20.631 15.509 10.821 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -22.475 14.545 9.578 1.00 0.00 C ATOM 1071 CZ PHE A 73 -21.299 15.302 9.609 1.00 0.00 C ATOM 0 H PHE A 73 -23.468 12.118 15.158 1.00 0.00 H new ATOM 0 HA PHE A 73 -21.905 11.746 12.751 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -23.913 13.338 13.116 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -22.827 14.344 14.053 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -20.625 15.121 12.940 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -23.891 13.408 10.736 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -19.722 16.092 10.844 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -22.990 14.386 8.642 1.00 0.00 H new ATOM 0 HZ PHE A 73 -20.906 15.727 8.697 1.00 0.00 H new ATOM 1081 N LEU A 74 -20.676 13.422 15.334 1.00 0.00 N ATOM 1082 CA LEU A 74 -19.431 13.884 15.937 1.00 0.00 C ATOM 1083 C LEU A 74 -18.551 12.698 16.323 1.00 0.00 C ATOM 1084 O LEU A 74 -17.363 12.861 16.602 1.00 0.00 O ATOM 1085 CB LEU A 74 -19.730 14.724 17.182 1.00 0.00 C ATOM 1086 CG LEU A 74 -20.664 15.883 16.816 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -21.301 16.446 18.088 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -19.869 16.991 16.118 1.00 0.00 C ATOM 0 H LEU A 74 -21.512 13.613 15.886 1.00 0.00 H new ATOM 0 HA LEU A 74 -18.902 14.495 15.206 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.191 14.102 17.949 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -18.802 15.112 17.602 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.441 15.517 16.145 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -21.965 17.270 17.828 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -21.872 15.663 18.586 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -20.520 16.807 18.757 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -20.538 17.812 15.860 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -19.089 17.355 16.786 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -19.414 16.595 15.210 1.00 0.00 H new