USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 631 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 55 GLN : amide:sc= 0.61 K(o=0.76,f=-1.7) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 172:sc= 0.155 (180deg=0) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.0179 (180deg=-1.25) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.00304 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -14:sc= -0.18 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -64:sc= 1.01 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 133:sc= 0.748 USER MOD Single : A 24 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.5) USER MOD Single : A 26 ASN : amide:sc= -0.0364 K(o=-0.036,f=-3.6!) USER MOD Single : A 28 GLN :FLIP amide:sc=-0.00335 F(o=-1.4!,f=-0.0034) USER MOD Single : A 38 MET CE :methyl -158:sc= -1.06 (180deg=-2.02) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 47 ASN : amide:sc= 0.701 K(o=0.7,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.230 14.730 6.364 1.00 50.33 N ATOM 2 CA MET A 1 -5.582 13.943 5.277 1.00 65.41 C ATOM 3 C MET A 1 -6.623 13.251 4.382 1.00 14.30 C ATOM 4 O MET A 1 -7.638 12.753 4.868 1.00 1.14 O ATOM 5 CB MET A 1 -4.638 12.887 5.872 1.00 33.23 C ATOM 6 CG MET A 1 -3.891 12.069 4.823 1.00 62.14 C ATOM 7 SD MET A 1 -2.796 10.833 5.542 1.00 44.24 S ATOM 8 CE MET A 1 -2.091 10.105 4.064 1.00 4.34 C ATOM 0 H1 MET A 1 -5.785 14.496 7.275 1.00 50.33 H new ATOM 0 H2 MET A 1 -6.115 15.746 6.173 1.00 50.33 H new ATOM 0 H3 MET A 1 -7.243 14.498 6.404 1.00 50.33 H new ATOM 0 HA MET A 1 -5.012 14.641 4.664 1.00 65.41 H new ATOM 0 HB2 MET A 1 -3.913 13.383 6.517 1.00 33.23 H new ATOM 0 HB3 MET A 1 -5.215 12.211 6.503 1.00 33.23 H new ATOM 0 HG2 MET A 1 -4.614 11.573 4.175 1.00 62.14 H new ATOM 0 HG3 MET A 1 -3.307 12.741 4.194 1.00 62.14 H new ATOM 0 HE1 MET A 1 -1.097 9.717 4.288 1.00 4.34 H new ATOM 0 HE2 MET A 1 -2.729 9.291 3.720 1.00 4.34 H new ATOM 0 HE3 MET A 1 -2.018 10.863 3.284 1.00 4.34 H new ATOM 20 N ASP A 2 -6.363 13.232 3.074 1.00 62.41 N ATOM 21 CA ASP A 2 -7.200 12.492 2.121 1.00 41.53 C ATOM 22 C ASP A 2 -6.353 11.972 0.947 1.00 42.13 C ATOM 23 O ASP A 2 -5.502 12.690 0.416 1.00 42.53 O ATOM 24 CB ASP A 2 -8.345 13.378 1.609 1.00 23.10 C ATOM 25 CG ASP A 2 -9.346 12.597 0.774 1.00 61.50 C ATOM 26 OD1 ASP A 2 -9.950 11.638 1.305 1.00 73.14 O ATOM 27 OD2 ASP A 2 -9.544 12.934 -0.410 1.00 60.13 O ATOM 0 H ASP A 2 -5.577 13.722 2.647 1.00 62.41 H new ATOM 0 HA ASP A 2 -7.633 11.635 2.637 1.00 41.53 H new ATOM 0 HB2 ASP A 2 -8.858 13.832 2.457 1.00 23.10 H new ATOM 0 HB3 ASP A 2 -7.933 14.192 1.012 1.00 23.10 H new ATOM 32 N VAL A 3 -6.588 10.724 0.549 1.00 43.33 N ATOM 33 CA VAL A 3 -5.783 10.081 -0.495 1.00 44.22 C ATOM 34 C VAL A 3 -6.352 10.327 -1.901 1.00 63.33 C ATOM 35 O VAL A 3 -7.557 10.197 -2.137 1.00 10.33 O ATOM 36 CB VAL A 3 -5.671 8.557 -0.246 1.00 41.25 C ATOM 37 CG1 VAL A 3 -4.874 7.867 -1.355 1.00 22.12 C ATOM 38 CG2 VAL A 3 -5.037 8.292 1.115 1.00 22.14 C ATOM 0 H VAL A 3 -7.328 10.135 0.931 1.00 43.33 H new ATOM 0 HA VAL A 3 -4.792 10.533 -0.445 1.00 44.22 H new ATOM 0 HB VAL A 3 -6.677 8.138 -0.254 1.00 41.25 H new ATOM 0 HG11 VAL A 3 -4.814 6.798 -1.149 1.00 22.12 H new ATOM 0 HG12 VAL A 3 -5.371 8.025 -2.312 1.00 22.12 H new ATOM 0 HG13 VAL A 3 -3.868 8.285 -1.395 1.00 22.12 H new ATOM 0 HG21 VAL A 3 -4.963 7.217 1.279 1.00 22.14 H new ATOM 0 HG22 VAL A 3 -4.040 8.733 1.144 1.00 22.14 H new ATOM 0 HG23 VAL A 3 -5.653 8.737 1.896 1.00 22.14 H new ATOM 48 N GLU A 4 -5.466 10.680 -2.828 1.00 62.22 N ATOM 49 CA GLU A 4 -5.843 10.944 -4.221 1.00 1.22 C ATOM 50 C GLU A 4 -5.020 10.077 -5.195 1.00 41.10 C ATOM 51 O GLU A 4 -3.850 9.779 -4.941 1.00 63.21 O ATOM 52 CB GLU A 4 -5.632 12.428 -4.548 1.00 64.44 C ATOM 53 CG GLU A 4 -6.431 13.378 -3.664 1.00 24.21 C ATOM 54 CD GLU A 4 -6.110 14.833 -3.946 1.00 63.00 C ATOM 55 OE1 GLU A 4 -6.668 15.392 -4.911 1.00 74.31 O ATOM 56 OE2 GLU A 4 -5.283 15.417 -3.215 1.00 12.21 O ATOM 0 H GLU A 4 -4.470 10.792 -2.640 1.00 62.22 H new ATOM 0 HA GLU A 4 -6.896 10.689 -4.340 1.00 1.22 H new ATOM 0 HB2 GLU A 4 -4.572 12.663 -4.451 1.00 64.44 H new ATOM 0 HB3 GLU A 4 -5.904 12.602 -5.589 1.00 64.44 H new ATOM 0 HG2 GLU A 4 -7.496 13.206 -3.820 1.00 24.21 H new ATOM 0 HG3 GLU A 4 -6.222 13.158 -2.617 1.00 24.21 H new ATOM 63 N PRO A 5 -5.620 9.665 -6.330 1.00 52.33 N ATOM 64 CA PRO A 5 -4.929 8.831 -7.331 1.00 30.13 C ATOM 65 C PRO A 5 -3.731 9.549 -7.984 1.00 14.51 C ATOM 66 O PRO A 5 -3.862 10.659 -8.503 1.00 42.15 O ATOM 67 CB PRO A 5 -6.028 8.530 -8.366 1.00 52.41 C ATOM 68 CG PRO A 5 -7.029 9.624 -8.193 1.00 73.42 C ATOM 69 CD PRO A 5 -7.008 9.974 -6.731 1.00 63.35 C ATOM 0 HA PRO A 5 -4.495 7.936 -6.884 1.00 30.13 H new ATOM 0 HB2 PRO A 5 -5.625 8.520 -9.379 1.00 52.41 H new ATOM 0 HB3 PRO A 5 -6.477 7.552 -8.192 1.00 52.41 H new ATOM 0 HG2 PRO A 5 -6.773 10.489 -8.805 1.00 73.42 H new ATOM 0 HG3 PRO A 5 -8.022 9.298 -8.502 1.00 73.42 H new ATOM 0 HD2 PRO A 5 -7.251 11.023 -6.565 1.00 63.35 H new ATOM 0 HD3 PRO A 5 -7.731 9.386 -6.166 1.00 63.35 H new ATOM 77 N GLY A 6 -2.563 8.911 -7.939 1.00 61.51 N ATOM 78 CA GLY A 6 -1.362 9.472 -8.552 1.00 72.00 C ATOM 79 C GLY A 6 -0.457 10.205 -7.563 1.00 53.40 C ATOM 80 O GLY A 6 0.629 10.659 -7.930 1.00 25.01 O ATOM 0 H GLY A 6 -2.423 8.008 -7.486 1.00 61.51 H new ATOM 0 HA2 GLY A 6 -0.796 8.669 -9.024 1.00 72.00 H new ATOM 0 HA3 GLY A 6 -1.656 10.162 -9.343 1.00 72.00 H new ATOM 84 N LYS A 7 -0.894 10.325 -6.310 1.00 5.22 N ATOM 85 CA LYS A 7 -0.124 11.045 -5.284 1.00 43.33 C ATOM 86 C LYS A 7 0.880 10.130 -4.561 1.00 12.15 C ATOM 87 O LYS A 7 0.703 8.910 -4.499 1.00 61.44 O ATOM 88 CB LYS A 7 -1.071 11.684 -4.260 1.00 2.21 C ATOM 89 CG LYS A 7 -2.046 12.695 -4.855 1.00 0.24 C ATOM 90 CD LYS A 7 -1.339 13.936 -5.396 1.00 25.03 C ATOM 91 CE LYS A 7 -2.341 14.947 -5.942 1.00 43.14 C ATOM 92 NZ LYS A 7 -1.684 16.208 -6.378 1.00 11.34 N ATOM 0 H LYS A 7 -1.776 9.935 -5.976 1.00 5.22 H new ATOM 0 HA LYS A 7 0.444 11.822 -5.796 1.00 43.33 H new ATOM 0 HB2 LYS A 7 -1.639 10.896 -3.766 1.00 2.21 H new ATOM 0 HB3 LYS A 7 -0.477 12.178 -3.491 1.00 2.21 H new ATOM 0 HG2 LYS A 7 -2.610 12.222 -5.659 1.00 0.24 H new ATOM 0 HG3 LYS A 7 -2.766 12.993 -4.093 1.00 0.24 H new ATOM 0 HD2 LYS A 7 -0.749 14.396 -4.603 1.00 25.03 H new ATOM 0 HD3 LYS A 7 -0.644 13.647 -6.184 1.00 25.03 H new ATOM 0 HE2 LYS A 7 -2.876 14.508 -6.784 1.00 43.14 H new ATOM 0 HE3 LYS A 7 -3.083 15.172 -5.175 1.00 43.14 H new ATOM 0 HZ1 LYS A 7 -2.403 16.866 -6.742 1.00 11.34 H new ATOM 0 HZ2 LYS A 7 -1.195 16.642 -5.569 1.00 11.34 H new ATOM 0 HZ3 LYS A 7 -0.995 15.999 -7.128 1.00 11.34 H new ATOM 106 N PHE A 8 1.926 10.744 -4.008 1.00 24.22 N ATOM 107 CA PHE A 8 2.994 10.021 -3.300 1.00 74.25 C ATOM 108 C PHE A 8 2.751 10.027 -1.778 1.00 53.24 C ATOM 109 O PHE A 8 2.468 11.076 -1.194 1.00 15.41 O ATOM 110 CB PHE A 8 4.359 10.669 -3.601 1.00 2.33 C ATOM 111 CG PHE A 8 4.810 10.573 -5.045 1.00 33.25 C ATOM 112 CD1 PHE A 8 3.921 10.777 -6.094 1.00 15.23 C ATOM 113 CD2 PHE A 8 6.135 10.287 -5.351 1.00 25.41 C ATOM 114 CE1 PHE A 8 4.339 10.694 -7.407 1.00 61.02 C ATOM 115 CE2 PHE A 8 6.558 10.202 -6.665 1.00 12.31 C ATOM 116 CZ PHE A 8 5.658 10.406 -7.694 1.00 32.55 C ATOM 0 H PHE A 8 2.061 11.755 -4.036 1.00 24.22 H new ATOM 0 HA PHE A 8 2.991 8.989 -3.650 1.00 74.25 H new ATOM 0 HB2 PHE A 8 4.315 11.721 -3.319 1.00 2.33 H new ATOM 0 HB3 PHE A 8 5.114 10.201 -2.969 1.00 2.33 H new ATOM 0 HD1 PHE A 8 2.887 11.004 -5.878 1.00 15.23 H new ATOM 0 HD2 PHE A 8 6.844 10.129 -4.552 1.00 25.41 H new ATOM 0 HE1 PHE A 8 3.634 10.854 -8.209 1.00 61.02 H new ATOM 0 HE2 PHE A 8 7.591 9.976 -6.887 1.00 12.31 H new ATOM 0 HZ PHE A 8 5.986 10.340 -8.721 1.00 32.55 H new ATOM 126 N TYR A 9 2.872 8.863 -1.136 1.00 61.52 N ATOM 127 CA TYR A 9 2.641 8.747 0.316 1.00 53.13 C ATOM 128 C TYR A 9 3.664 7.816 0.994 1.00 24.41 C ATOM 129 O TYR A 9 4.337 7.020 0.338 1.00 41.20 O ATOM 130 CB TYR A 9 1.228 8.207 0.596 1.00 3.52 C ATOM 131 CG TYR A 9 0.102 9.050 0.024 1.00 54.30 C ATOM 132 CD1 TYR A 9 -0.310 10.223 0.650 1.00 32.21 C ATOM 133 CD2 TYR A 9 -0.551 8.665 -1.141 1.00 73.23 C ATOM 134 CE1 TYR A 9 -1.340 10.985 0.131 1.00 4.53 C ATOM 135 CE2 TYR A 9 -1.581 9.421 -1.664 1.00 70.31 C ATOM 136 CZ TYR A 9 -1.970 10.580 -1.026 1.00 33.10 C ATOM 137 OH TYR A 9 -2.999 11.333 -1.548 1.00 62.24 O ATOM 0 H TYR A 9 3.127 7.987 -1.592 1.00 61.52 H new ATOM 0 HA TYR A 9 2.753 9.749 0.730 1.00 53.13 H new ATOM 0 HB2 TYR A 9 1.152 7.199 0.189 1.00 3.52 H new ATOM 0 HB3 TYR A 9 1.092 8.126 1.674 1.00 3.52 H new ATOM 0 HD1 TYR A 9 0.183 10.543 1.556 1.00 32.21 H new ATOM 0 HD2 TYR A 9 -0.248 7.759 -1.645 1.00 73.23 H new ATOM 0 HE1 TYR A 9 -1.649 11.892 0.629 1.00 4.53 H new ATOM 0 HE2 TYR A 9 -2.080 9.106 -2.569 1.00 70.31 H new ATOM 0 HH TYR A 9 -3.303 11.980 -0.878 1.00 62.24 H new ATOM 147 N LYS A 10 3.770 7.926 2.319 1.00 1.15 N ATOM 148 CA LYS A 10 4.538 6.969 3.129 1.00 44.01 C ATOM 149 C LYS A 10 3.616 6.285 4.150 1.00 33.43 C ATOM 150 O LYS A 10 2.876 6.955 4.876 1.00 24.23 O ATOM 151 CB LYS A 10 5.704 7.657 3.862 1.00 23.40 C ATOM 152 CG LYS A 10 6.452 6.720 4.817 1.00 41.52 C ATOM 153 CD LYS A 10 7.627 7.401 5.516 1.00 50.34 C ATOM 154 CE LYS A 10 8.741 7.761 4.542 1.00 41.14 C ATOM 155 NZ LYS A 10 9.929 8.315 5.240 1.00 24.14 N ATOM 0 H LYS A 10 3.332 8.672 2.860 1.00 1.15 H new ATOM 0 HA LYS A 10 4.956 6.222 2.454 1.00 44.01 H new ATOM 0 HB2 LYS A 10 6.405 8.051 3.127 1.00 23.40 H new ATOM 0 HB3 LYS A 10 5.320 8.508 4.425 1.00 23.40 H new ATOM 0 HG2 LYS A 10 5.757 6.344 5.568 1.00 41.52 H new ATOM 0 HG3 LYS A 10 6.817 5.857 4.260 1.00 41.52 H new ATOM 0 HD2 LYS A 10 7.277 8.304 6.016 1.00 50.34 H new ATOM 0 HD3 LYS A 10 8.021 6.741 6.289 1.00 50.34 H new ATOM 0 HE2 LYS A 10 9.032 6.874 3.979 1.00 41.14 H new ATOM 0 HE3 LYS A 10 8.371 8.490 3.821 1.00 41.14 H new ATOM 0 HZ1 LYS A 10 10.664 8.547 4.542 1.00 24.14 H new ATOM 0 HZ2 LYS A 10 9.658 9.176 5.757 1.00 24.14 H new ATOM 0 HZ3 LYS A 10 10.298 7.610 5.910 1.00 24.14 H new ATOM 169 N GLY A 11 3.658 4.957 4.204 1.00 0.23 N ATOM 170 CA GLY A 11 2.798 4.218 5.121 1.00 13.01 C ATOM 171 C GLY A 11 3.485 3.018 5.759 1.00 31.33 C ATOM 172 O GLY A 11 4.622 2.687 5.423 1.00 2.01 O ATOM 0 H GLY A 11 4.271 4.377 3.631 1.00 0.23 H new ATOM 0 HA2 GLY A 11 2.454 4.891 5.907 1.00 13.01 H new ATOM 0 HA3 GLY A 11 1.913 3.877 4.583 1.00 13.01 H new ATOM 176 N VAL A 12 2.785 2.357 6.677 1.00 44.03 N ATOM 177 CA VAL A 12 3.342 1.210 7.398 1.00 22.02 C ATOM 178 C VAL A 12 2.619 -0.105 7.041 1.00 24.43 C ATOM 179 O VAL A 12 1.388 -0.150 6.954 1.00 12.54 O ATOM 180 CB VAL A 12 3.276 1.438 8.929 1.00 53.11 C ATOM 181 CG1 VAL A 12 1.836 1.650 9.393 1.00 23.42 C ATOM 182 CG2 VAL A 12 3.930 0.279 9.675 1.00 74.01 C ATOM 0 H VAL A 12 1.829 2.595 6.941 1.00 44.03 H new ATOM 0 HA VAL A 12 4.383 1.119 7.089 1.00 22.02 H new ATOM 0 HB VAL A 12 3.833 2.346 9.160 1.00 53.11 H new ATOM 0 HG11 VAL A 12 1.821 1.807 10.471 1.00 23.42 H new ATOM 0 HG12 VAL A 12 1.417 2.523 8.893 1.00 23.42 H new ATOM 0 HG13 VAL A 12 1.241 0.771 9.146 1.00 23.42 H new ATOM 0 HG21 VAL A 12 3.873 0.459 10.749 1.00 74.01 H new ATOM 0 HG22 VAL A 12 3.410 -0.648 9.434 1.00 74.01 H new ATOM 0 HG23 VAL A 12 4.975 0.197 9.376 1.00 74.01 H new ATOM 192 N VAL A 13 3.398 -1.168 6.831 1.00 5.03 N ATOM 193 CA VAL A 13 2.847 -2.497 6.536 1.00 42.20 C ATOM 194 C VAL A 13 2.235 -3.136 7.792 1.00 44.54 C ATOM 195 O VAL A 13 2.923 -3.343 8.792 1.00 42.41 O ATOM 196 CB VAL A 13 3.937 -3.443 5.971 1.00 54.12 C ATOM 197 CG1 VAL A 13 3.360 -4.832 5.688 1.00 5.11 C ATOM 198 CG2 VAL A 13 4.565 -2.849 4.711 1.00 75.45 C ATOM 0 H VAL A 13 4.417 -1.136 6.859 1.00 5.03 H new ATOM 0 HA VAL A 13 2.068 -2.358 5.787 1.00 42.20 H new ATOM 0 HB VAL A 13 4.718 -3.550 6.724 1.00 54.12 H new ATOM 0 HG11 VAL A 13 4.144 -5.478 5.292 1.00 5.11 H new ATOM 0 HG12 VAL A 13 2.970 -5.259 6.612 1.00 5.11 H new ATOM 0 HG13 VAL A 13 2.555 -4.750 4.958 1.00 5.11 H new ATOM 0 HG21 VAL A 13 5.328 -3.528 4.330 1.00 75.45 H new ATOM 0 HG22 VAL A 13 3.795 -2.706 3.953 1.00 75.45 H new ATOM 0 HG23 VAL A 13 5.021 -1.888 4.950 1.00 75.45 H new ATOM 208 N THR A 14 0.943 -3.453 7.727 1.00 43.43 N ATOM 209 CA THR A 14 0.226 -4.034 8.872 1.00 63.11 C ATOM 210 C THR A 14 0.229 -5.569 8.839 1.00 72.41 C ATOM 211 O THR A 14 0.639 -6.215 9.802 1.00 23.11 O ATOM 212 CB THR A 14 -1.237 -3.544 8.926 1.00 70.02 C ATOM 213 OG1 THR A 14 -1.966 -4.022 7.785 1.00 62.14 O ATOM 214 CG2 THR A 14 -1.298 -2.023 8.965 1.00 54.11 C ATOM 0 H THR A 14 0.367 -3.319 6.896 1.00 43.43 H new ATOM 0 HA THR A 14 0.759 -3.700 9.762 1.00 63.11 H new ATOM 0 HB THR A 14 -1.690 -3.938 9.836 1.00 70.02 H new ATOM 0 HG1 THR A 14 -1.583 -3.639 6.968 1.00 62.14 H new ATOM 0 HG21 THR A 14 -2.339 -1.701 9.003 1.00 54.11 H new ATOM 0 HG22 THR A 14 -0.774 -1.660 9.849 1.00 54.11 H new ATOM 0 HG23 THR A 14 -0.825 -1.617 8.071 1.00 54.11 H new ATOM 222 N ARG A 15 -0.243 -6.152 7.738 1.00 33.20 N ATOM 223 CA ARG A 15 -0.253 -7.614 7.584 1.00 42.13 C ATOM 224 C ARG A 15 0.107 -8.037 6.148 1.00 25.21 C ATOM 225 O ARG A 15 -0.204 -7.332 5.182 1.00 3.01 O ATOM 226 CB ARG A 15 -1.627 -8.189 7.971 1.00 34.55 C ATOM 227 CG ARG A 15 -2.778 -7.683 7.107 1.00 71.42 C ATOM 228 CD ARG A 15 -4.093 -8.378 7.452 1.00 13.44 C ATOM 229 NE ARG A 15 -5.198 -7.916 6.610 1.00 30.12 N ATOM 230 CZ ARG A 15 -6.095 -8.703 6.069 1.00 4.44 C ATOM 231 NH1 ARG A 15 -6.054 -9.984 6.254 1.00 33.32 N ATOM 232 NH2 ARG A 15 -7.037 -8.202 5.339 1.00 54.45 N ATOM 0 H ARG A 15 -0.623 -5.641 6.941 1.00 33.20 H new ATOM 0 HA ARG A 15 0.506 -8.017 8.255 1.00 42.13 H new ATOM 0 HB2 ARG A 15 -1.586 -9.276 7.903 1.00 34.55 H new ATOM 0 HB3 ARG A 15 -1.832 -7.942 9.013 1.00 34.55 H new ATOM 0 HG2 ARG A 15 -2.889 -6.607 7.243 1.00 71.42 H new ATOM 0 HG3 ARG A 15 -2.544 -7.849 6.056 1.00 71.42 H new ATOM 0 HD2 ARG A 15 -3.975 -9.455 7.335 1.00 13.44 H new ATOM 0 HD3 ARG A 15 -4.335 -8.196 8.499 1.00 13.44 H new ATOM 0 HE ARG A 15 -5.275 -6.914 6.433 1.00 30.12 H new ATOM 0 HH11 ARG A 15 -5.316 -10.393 6.827 1.00 33.32 H new ATOM 0 HH12 ARG A 15 -6.759 -10.584 5.826 1.00 33.32 H new ATOM 0 HH21 ARG A 15 -7.082 -7.195 5.185 1.00 54.45 H new ATOM 0 HH22 ARG A 15 -7.736 -8.814 4.917 1.00 54.45 H new ATOM 246 N ILE A 16 0.756 -9.195 6.019 1.00 4.41 N ATOM 247 CA ILE A 16 1.179 -9.717 4.713 1.00 60.01 C ATOM 248 C ILE A 16 0.204 -10.785 4.190 1.00 1.33 C ATOM 249 O ILE A 16 0.153 -11.904 4.711 1.00 71.44 O ATOM 250 CB ILE A 16 2.603 -10.335 4.784 1.00 11.41 C ATOM 251 CG1 ILE A 16 3.624 -9.308 5.309 1.00 72.43 C ATOM 252 CG2 ILE A 16 3.035 -10.876 3.417 1.00 42.32 C ATOM 253 CD1 ILE A 16 3.798 -8.098 4.418 1.00 72.31 C ATOM 0 H ILE A 16 1.003 -9.794 6.807 1.00 4.41 H new ATOM 0 HA ILE A 16 1.186 -8.869 4.028 1.00 60.01 H new ATOM 0 HB ILE A 16 2.570 -11.170 5.484 1.00 11.41 H new ATOM 0 HG12 ILE A 16 3.312 -8.975 6.299 1.00 72.43 H new ATOM 0 HG13 ILE A 16 4.589 -9.800 5.428 1.00 72.43 H new ATOM 0 HG21 ILE A 16 4.035 -11.303 3.494 1.00 42.32 H new ATOM 0 HG22 ILE A 16 2.335 -11.647 3.093 1.00 42.32 H new ATOM 0 HG23 ILE A 16 3.042 -10.064 2.690 1.00 42.32 H new ATOM 0 HD11 ILE A 16 4.533 -7.424 4.859 1.00 72.31 H new ATOM 0 HD12 ILE A 16 4.142 -8.417 3.434 1.00 72.31 H new ATOM 0 HD13 ILE A 16 2.845 -7.579 4.318 1.00 72.31 H new ATOM 265 N GLU A 17 -0.573 -10.428 3.171 1.00 43.13 N ATOM 266 CA GLU A 17 -1.452 -11.382 2.487 1.00 14.40 C ATOM 267 C GLU A 17 -0.778 -11.919 1.219 1.00 71.11 C ATOM 268 O GLU A 17 0.087 -11.265 0.637 1.00 54.10 O ATOM 269 CB GLU A 17 -2.790 -10.715 2.125 1.00 73.33 C ATOM 270 CG GLU A 17 -3.640 -10.327 3.332 1.00 1.31 C ATOM 271 CD GLU A 17 -4.177 -11.537 4.079 1.00 5.32 C ATOM 272 OE1 GLU A 17 -5.257 -12.041 3.698 1.00 51.24 O ATOM 273 OE2 GLU A 17 -3.527 -11.992 5.042 1.00 64.11 O ATOM 0 H GLU A 17 -0.614 -9.480 2.796 1.00 43.13 H new ATOM 0 HA GLU A 17 -1.644 -12.215 3.163 1.00 14.40 H new ATOM 0 HB2 GLU A 17 -2.590 -9.822 1.533 1.00 73.33 H new ATOM 0 HB3 GLU A 17 -3.363 -11.394 1.494 1.00 73.33 H new ATOM 0 HG2 GLU A 17 -3.043 -9.719 4.012 1.00 1.31 H new ATOM 0 HG3 GLU A 17 -4.474 -9.709 3.001 1.00 1.31 H new ATOM 280 N LYS A 18 -1.195 -13.102 0.778 1.00 24.35 N ATOM 281 CA LYS A 18 -0.593 -13.745 -0.402 1.00 52.14 C ATOM 282 C LYS A 18 -0.924 -12.996 -1.706 1.00 12.03 C ATOM 283 O LYS A 18 -0.397 -13.321 -2.772 1.00 1.34 O ATOM 284 CB LYS A 18 -1.058 -15.200 -0.503 1.00 11.02 C ATOM 285 CG LYS A 18 -0.674 -16.048 0.703 1.00 0.53 C ATOM 286 CD LYS A 18 -1.121 -17.495 0.545 1.00 42.34 C ATOM 287 CE LYS A 18 -2.632 -17.613 0.382 1.00 51.04 C ATOM 288 NZ LYS A 18 -3.063 -19.030 0.263 1.00 30.21 N ATOM 0 H LYS A 18 -1.945 -13.639 1.213 1.00 24.35 H new ATOM 0 HA LYS A 18 0.489 -13.713 -0.272 1.00 52.14 H new ATOM 0 HB2 LYS A 18 -2.142 -15.219 -0.620 1.00 11.02 H new ATOM 0 HB3 LYS A 18 -0.633 -15.647 -1.401 1.00 11.02 H new ATOM 0 HG2 LYS A 18 0.407 -16.015 0.841 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -1.123 -15.625 1.602 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -0.628 -17.934 -0.322 1.00 42.34 H new ATOM 0 HD3 LYS A 18 -0.805 -18.069 1.416 1.00 42.34 H new ATOM 0 HE2 LYS A 18 -3.127 -17.153 1.237 1.00 51.04 H new ATOM 0 HE3 LYS A 18 -2.947 -17.061 -0.504 1.00 51.04 H new ATOM 0 HZ1 LYS A 18 -4.096 -19.071 0.154 1.00 30.21 H new ATOM 0 HZ2 LYS A 18 -2.610 -19.462 -0.567 1.00 30.21 H new ATOM 0 HZ3 LYS A 18 -2.785 -19.551 1.119 1.00 30.21 H new ATOM 302 N TYR A 19 -1.804 -11.998 -1.618 1.00 53.15 N ATOM 303 CA TYR A 19 -2.147 -11.158 -2.775 1.00 42.42 C ATOM 304 C TYR A 19 -1.679 -9.703 -2.583 1.00 32.24 C ATOM 305 O TYR A 19 -1.969 -8.834 -3.407 1.00 61.42 O ATOM 306 CB TYR A 19 -3.662 -11.202 -3.043 1.00 30.41 C ATOM 307 CG TYR A 19 -4.525 -10.768 -1.868 1.00 13.32 C ATOM 308 CD1 TYR A 19 -4.947 -11.684 -0.911 1.00 11.24 C ATOM 309 CD2 TYR A 19 -4.939 -9.446 -1.730 1.00 2.02 C ATOM 310 CE1 TYR A 19 -5.748 -11.300 0.147 1.00 44.14 C ATOM 311 CE2 TYR A 19 -5.736 -9.052 -0.671 1.00 4.41 C ATOM 312 CZ TYR A 19 -6.143 -9.983 0.262 1.00 22.50 C ATOM 313 OH TYR A 19 -6.954 -9.597 1.308 1.00 12.01 O ATOM 0 H TYR A 19 -2.294 -11.748 -0.759 1.00 53.15 H new ATOM 0 HA TYR A 19 -1.622 -11.563 -3.640 1.00 42.42 H new ATOM 0 HB2 TYR A 19 -3.885 -10.563 -3.897 1.00 30.41 H new ATOM 0 HB3 TYR A 19 -3.939 -12.218 -3.325 1.00 30.41 H new ATOM 0 HD1 TYR A 19 -4.642 -12.717 -0.996 1.00 11.24 H new ATOM 0 HD2 TYR A 19 -4.632 -8.715 -2.463 1.00 2.02 H new ATOM 0 HE1 TYR A 19 -6.063 -12.027 0.881 1.00 44.14 H new ATOM 0 HE2 TYR A 19 -6.039 -8.020 -0.575 1.00 4.41 H new ATOM 0 HH TYR A 19 -6.590 -8.787 1.722 1.00 12.01 H new ATOM 323 N GLY A 20 -0.950 -9.441 -1.495 1.00 2.33 N ATOM 324 CA GLY A 20 -0.448 -8.095 -1.230 1.00 51.41 C ATOM 325 C GLY A 20 -0.374 -7.754 0.257 1.00 23.10 C ATOM 326 O GLY A 20 -0.901 -8.477 1.101 1.00 71.53 O ATOM 0 H GLY A 20 -0.698 -10.136 -0.792 1.00 2.33 H new ATOM 0 HA2 GLY A 20 0.545 -7.993 -1.668 1.00 51.41 H new ATOM 0 HA3 GLY A 20 -1.092 -7.371 -1.729 1.00 51.41 H new ATOM 330 N ALA A 21 0.286 -6.645 0.575 1.00 73.41 N ATOM 331 CA ALA A 21 0.421 -6.184 1.960 1.00 62.52 C ATOM 332 C ALA A 21 -0.455 -4.949 2.224 1.00 42.22 C ATOM 333 O ALA A 21 -0.373 -3.955 1.499 1.00 21.11 O ATOM 334 CB ALA A 21 1.882 -5.868 2.263 1.00 40.43 C ATOM 0 H ALA A 21 0.740 -6.042 -0.111 1.00 73.41 H new ATOM 0 HA ALA A 21 0.081 -6.983 2.619 1.00 62.52 H new ATOM 0 HB1 ALA A 21 1.974 -5.526 3.294 1.00 40.43 H new ATOM 0 HB2 ALA A 21 2.485 -6.765 2.123 1.00 40.43 H new ATOM 0 HB3 ALA A 21 2.233 -5.086 1.589 1.00 40.43 H new ATOM 340 N PHE A 22 -1.292 -5.015 3.258 1.00 35.42 N ATOM 341 CA PHE A 22 -2.155 -3.884 3.622 1.00 1.23 C ATOM 342 C PHE A 22 -1.379 -2.818 4.403 1.00 24.04 C ATOM 343 O PHE A 22 -0.839 -3.082 5.480 1.00 1.00 O ATOM 344 CB PHE A 22 -3.370 -4.365 4.426 1.00 61.52 C ATOM 345 CG PHE A 22 -4.375 -5.117 3.586 1.00 23.31 C ATOM 346 CD1 PHE A 22 -5.358 -4.432 2.885 1.00 71.13 C ATOM 347 CD2 PHE A 22 -4.328 -6.500 3.484 1.00 22.22 C ATOM 348 CE1 PHE A 22 -6.273 -5.110 2.106 1.00 22.15 C ATOM 349 CE2 PHE A 22 -5.241 -7.181 2.704 1.00 71.30 C ATOM 350 CZ PHE A 22 -6.214 -6.486 2.014 1.00 5.34 C ATOM 0 H PHE A 22 -1.393 -5.834 3.858 1.00 35.42 H new ATOM 0 HA PHE A 22 -2.510 -3.428 2.698 1.00 1.23 H new ATOM 0 HB2 PHE A 22 -3.030 -5.008 5.238 1.00 61.52 H new ATOM 0 HB3 PHE A 22 -3.859 -3.505 4.884 1.00 61.52 H new ATOM 0 HD1 PHE A 22 -5.407 -3.355 2.950 1.00 71.13 H new ATOM 0 HD2 PHE A 22 -3.569 -7.050 4.021 1.00 22.22 H new ATOM 0 HE1 PHE A 22 -7.035 -4.565 1.569 1.00 22.15 H new ATOM 0 HE2 PHE A 22 -5.194 -8.258 2.634 1.00 71.30 H new ATOM 0 HZ PHE A 22 -6.928 -7.018 1.403 1.00 5.34 H new ATOM 360 N ILE A 23 -1.338 -1.610 3.851 1.00 35.12 N ATOM 361 CA ILE A 23 -0.547 -0.513 4.414 1.00 14.20 C ATOM 362 C ILE A 23 -1.434 0.642 4.908 1.00 70.43 C ATOM 363 O ILE A 23 -2.354 1.080 4.212 1.00 74.04 O ATOM 364 CB ILE A 23 0.455 0.023 3.357 1.00 24.00 C ATOM 365 CG1 ILE A 23 1.469 -1.070 2.973 1.00 12.54 C ATOM 366 CG2 ILE A 23 1.172 1.272 3.864 1.00 2.31 C ATOM 367 CD1 ILE A 23 2.487 -0.629 1.941 1.00 73.25 C ATOM 0 H ILE A 23 -1.849 -1.361 3.004 1.00 35.12 H new ATOM 0 HA ILE A 23 -0.005 -0.913 5.271 1.00 14.20 H new ATOM 0 HB ILE A 23 -0.108 0.300 2.466 1.00 24.00 H new ATOM 0 HG12 ILE A 23 1.994 -1.396 3.871 1.00 12.54 H new ATOM 0 HG13 ILE A 23 0.928 -1.935 2.589 1.00 12.54 H new ATOM 0 HG21 ILE A 23 1.868 1.626 3.103 1.00 2.31 H new ATOM 0 HG22 ILE A 23 0.440 2.051 4.077 1.00 2.31 H new ATOM 0 HG23 ILE A 23 1.721 1.032 4.775 1.00 2.31 H new ATOM 0 HD11 ILE A 23 3.165 -1.454 1.723 1.00 73.25 H new ATOM 0 HD12 ILE A 23 1.973 -0.331 1.027 1.00 73.25 H new ATOM 0 HD13 ILE A 23 3.056 0.216 2.329 1.00 73.25 H new ATOM 379 N ASN A 24 -1.155 1.126 6.118 1.00 12.22 N ATOM 380 CA ASN A 24 -1.852 2.295 6.669 1.00 4.15 C ATOM 381 C ASN A 24 -1.081 3.587 6.367 1.00 21.40 C ATOM 382 O ASN A 24 0.087 3.722 6.737 1.00 22.04 O ATOM 383 CB ASN A 24 -2.036 2.169 8.190 1.00 41.04 C ATOM 384 CG ASN A 24 -2.988 1.057 8.584 1.00 62.52 C ATOM 385 OD1 ASN A 24 -3.880 0.684 7.834 1.00 4.13 O ATOM 386 ND2 ASN A 24 -2.824 0.534 9.782 1.00 2.25 N ATOM 0 H ASN A 24 -0.450 0.728 6.739 1.00 12.22 H new ATOM 0 HA ASN A 24 -2.831 2.336 6.192 1.00 4.15 H new ATOM 0 HB2 ASN A 24 -1.066 1.990 8.654 1.00 41.04 H new ATOM 0 HB3 ASN A 24 -2.408 3.115 8.584 1.00 41.04 H new ATOM 0 HD21 ASN A 24 -3.450 -0.203 10.107 1.00 2.25 H new ATOM 0 HD22 ASN A 24 -2.071 0.866 10.385 1.00 2.25 H new ATOM 393 N LEU A 25 -1.736 4.529 5.691 1.00 45.34 N ATOM 394 CA LEU A 25 -1.156 5.859 5.451 1.00 42.15 C ATOM 395 C LEU A 25 -1.539 6.817 6.584 1.00 20.15 C ATOM 396 O LEU A 25 -0.892 7.841 6.802 1.00 71.33 O ATOM 397 CB LEU A 25 -1.647 6.431 4.112 1.00 73.44 C ATOM 398 CG LEU A 25 -1.333 5.588 2.867 1.00 42.25 C ATOM 399 CD1 LEU A 25 -1.853 6.279 1.610 1.00 32.11 C ATOM 400 CD2 LEU A 25 0.165 5.310 2.757 1.00 52.43 C ATOM 0 H LEU A 25 -2.668 4.401 5.298 1.00 45.34 H new ATOM 0 HA LEU A 25 -0.072 5.754 5.416 1.00 42.15 H new ATOM 0 HB2 LEU A 25 -2.727 6.568 4.172 1.00 73.44 H new ATOM 0 HB3 LEU A 25 -1.207 7.419 3.978 1.00 73.44 H new ATOM 0 HG LEU A 25 -1.842 4.629 2.967 1.00 42.25 H new ATOM 0 HD11 LEU A 25 -1.622 5.668 0.737 1.00 32.11 H new ATOM 0 HD12 LEU A 25 -2.932 6.409 1.687 1.00 32.11 H new ATOM 0 HD13 LEU A 25 -1.376 7.254 1.507 1.00 32.11 H new ATOM 0 HD21 LEU A 25 0.360 4.712 1.867 1.00 52.43 H new ATOM 0 HD22 LEU A 25 0.706 6.254 2.685 1.00 52.43 H new ATOM 0 HD23 LEU A 25 0.500 4.766 3.640 1.00 52.43 H new ATOM 412 N ASN A 26 -2.607 6.464 7.293 1.00 72.42 N ATOM 413 CA ASN A 26 -3.142 7.280 8.383 1.00 5.53 C ATOM 414 C ASN A 26 -4.099 6.435 9.237 1.00 55.12 C ATOM 415 O ASN A 26 -4.579 5.394 8.787 1.00 53.12 O ATOM 416 CB ASN A 26 -3.867 8.512 7.807 1.00 53.15 C ATOM 417 CG ASN A 26 -4.460 9.426 8.869 1.00 71.51 C ATOM 418 OD1 ASN A 26 -3.977 9.494 9.994 1.00 55.15 O ATOM 419 ND2 ASN A 26 -5.514 10.140 8.519 1.00 1.14 N ATOM 0 H ASN A 26 -3.128 5.603 7.129 1.00 72.42 H new ATOM 0 HA ASN A 26 -2.324 7.627 9.015 1.00 5.53 H new ATOM 0 HB2 ASN A 26 -3.166 9.084 7.199 1.00 53.15 H new ATOM 0 HB3 ASN A 26 -4.664 8.176 7.144 1.00 53.15 H new ATOM 0 HD21 ASN A 26 -5.950 10.770 9.192 1.00 1.14 H new ATOM 0 HD22 ASN A 26 -5.893 10.061 7.575 1.00 1.14 H new ATOM 426 N GLU A 27 -4.371 6.881 10.459 1.00 62.42 N ATOM 427 CA GLU A 27 -5.299 6.182 11.362 1.00 42.21 C ATOM 428 C GLU A 27 -6.618 5.800 10.659 1.00 41.24 C ATOM 429 O GLU A 27 -7.152 4.709 10.858 1.00 11.24 O ATOM 430 CB GLU A 27 -5.599 7.065 12.582 1.00 34.55 C ATOM 431 CG GLU A 27 -6.554 6.428 13.590 1.00 25.11 C ATOM 432 CD GLU A 27 -6.859 7.342 14.763 1.00 30.13 C ATOM 433 OE1 GLU A 27 -7.741 8.214 14.633 1.00 4.30 O ATOM 434 OE2 GLU A 27 -6.204 7.204 15.815 1.00 54.51 O ATOM 0 H GLU A 27 -3.963 7.728 10.855 1.00 62.42 H new ATOM 0 HA GLU A 27 -4.816 5.258 11.679 1.00 42.21 H new ATOM 0 HB2 GLU A 27 -4.662 7.303 13.085 1.00 34.55 H new ATOM 0 HB3 GLU A 27 -6.025 8.008 12.239 1.00 34.55 H new ATOM 0 HG2 GLU A 27 -7.485 6.165 13.087 1.00 25.11 H new ATOM 0 HG3 GLU A 27 -6.119 5.500 13.961 1.00 25.11 H new ATOM 441 N GLN A 28 -7.135 6.707 9.832 1.00 40.13 N ATOM 442 CA GLN A 28 -8.409 6.488 9.131 1.00 30.31 C ATOM 443 C GLN A 28 -8.206 6.053 7.663 1.00 45.24 C ATOM 444 O GLN A 28 -9.166 6.003 6.891 1.00 44.42 O ATOM 445 CB GLN A 28 -9.242 7.780 9.177 1.00 61.14 C ATOM 446 CG GLN A 28 -9.556 8.271 10.588 1.00 25.52 C ATOM 447 CD GLN A 28 -10.476 7.334 11.354 1.00 11.03 C ATOM 448 OE1 GLN A 28 -9.904 6.381 12.062 1.00 3.34 O flip ATOM 449 NE2 GLN A 28 -11.693 7.467 11.306 1.00 73.45 N flip ATOM 0 H GLN A 28 -6.694 7.604 9.628 1.00 40.13 H new ATOM 0 HA GLN A 28 -8.932 5.678 9.639 1.00 30.31 H new ATOM 0 HB2 GLN A 28 -8.706 8.564 8.642 1.00 61.14 H new ATOM 0 HB3 GLN A 28 -10.179 7.614 8.645 1.00 61.14 H new ATOM 0 HG2 GLN A 28 -8.624 8.388 11.141 1.00 25.52 H new ATOM 0 HG3 GLN A 28 -10.018 9.256 10.529 1.00 25.52 H new ATOM 0 HE21 GLN A 28 -12.103 8.216 10.748 1.00 73.45 H new ATOM 0 HE22 GLN A 28 -12.297 6.829 11.824 1.00 73.45 H new ATOM 458 N VAL A 29 -6.968 5.723 7.283 1.00 25.52 N ATOM 459 CA VAL A 29 -6.649 5.387 5.882 1.00 14.15 C ATOM 460 C VAL A 29 -5.833 4.083 5.756 1.00 71.34 C ATOM 461 O VAL A 29 -4.711 3.985 6.258 1.00 53.42 O ATOM 462 CB VAL A 29 -5.862 6.534 5.194 1.00 22.24 C ATOM 463 CG1 VAL A 29 -5.487 6.150 3.763 1.00 12.23 C ATOM 464 CG2 VAL A 29 -6.667 7.839 5.211 1.00 23.14 C ATOM 0 H VAL A 29 -6.171 5.680 7.918 1.00 25.52 H new ATOM 0 HA VAL A 29 -7.609 5.244 5.385 1.00 14.15 H new ATOM 0 HB VAL A 29 -4.943 6.697 5.757 1.00 22.24 H new ATOM 0 HG11 VAL A 29 -4.936 6.968 3.299 1.00 12.23 H new ATOM 0 HG12 VAL A 29 -4.864 5.256 3.778 1.00 12.23 H new ATOM 0 HG13 VAL A 29 -6.393 5.952 3.190 1.00 12.23 H new ATOM 0 HG21 VAL A 29 -6.093 8.627 4.723 1.00 23.14 H new ATOM 0 HG22 VAL A 29 -7.608 7.693 4.680 1.00 23.14 H new ATOM 0 HG23 VAL A 29 -6.873 8.126 6.242 1.00 23.14 H new ATOM 474 N ARG A 30 -6.398 3.101 5.050 1.00 32.13 N ATOM 475 CA ARG A 30 -5.716 1.825 4.787 1.00 72.33 C ATOM 476 C ARG A 30 -5.879 1.406 3.314 1.00 72.20 C ATOM 477 O ARG A 30 -6.960 1.539 2.738 1.00 1.01 O ATOM 478 CB ARG A 30 -6.284 0.720 5.689 1.00 54.35 C ATOM 479 CG ARG A 30 -5.580 -0.630 5.532 1.00 33.10 C ATOM 480 CD ARG A 30 -6.360 -1.755 6.202 1.00 22.42 C ATOM 481 NE ARG A 30 -7.657 -1.966 5.562 1.00 31.42 N ATOM 482 CZ ARG A 30 -8.672 -2.561 6.124 1.00 52.34 C ATOM 483 NH1 ARG A 30 -8.589 -3.018 7.335 1.00 23.21 N ATOM 484 NH2 ARG A 30 -9.775 -2.696 5.464 1.00 3.21 N ATOM 0 H ARG A 30 -7.333 3.163 4.646 1.00 32.13 H new ATOM 0 HA ARG A 30 -4.656 1.965 5.001 1.00 72.33 H new ATOM 0 HB2 ARG A 30 -6.210 1.039 6.729 1.00 54.35 H new ATOM 0 HB3 ARG A 30 -7.344 0.594 5.469 1.00 54.35 H new ATOM 0 HG2 ARG A 30 -5.456 -0.854 4.473 1.00 33.10 H new ATOM 0 HG3 ARG A 30 -4.581 -0.572 5.965 1.00 33.10 H new ATOM 0 HD2 ARG A 30 -5.779 -2.676 6.160 1.00 22.42 H new ATOM 0 HD3 ARG A 30 -6.508 -1.519 7.256 1.00 22.42 H new ATOM 0 HE ARG A 30 -7.777 -1.624 4.609 1.00 31.42 H new ATOM 0 HH11 ARG A 30 -7.721 -2.914 7.861 1.00 23.21 H new ATOM 0 HH12 ARG A 30 -9.392 -3.481 7.761 1.00 23.21 H new ATOM 0 HH21 ARG A 30 -9.846 -2.338 4.511 1.00 3.21 H new ATOM 0 HH22 ARG A 30 -10.574 -3.160 5.896 1.00 3.21 H new ATOM 498 N GLY A 31 -4.810 0.886 2.716 1.00 30.44 N ATOM 499 CA GLY A 31 -4.863 0.423 1.331 1.00 62.23 C ATOM 500 C GLY A 31 -4.120 -0.893 1.111 1.00 51.24 C ATOM 501 O GLY A 31 -3.628 -1.507 2.060 1.00 14.13 O ATOM 0 H GLY A 31 -3.901 0.775 3.165 1.00 30.44 H new ATOM 0 HA2 GLY A 31 -5.905 0.299 1.035 1.00 62.23 H new ATOM 0 HA3 GLY A 31 -4.436 1.187 0.682 1.00 62.23 H new ATOM 505 N LEU A 32 -4.021 -1.322 -0.148 1.00 34.55 N ATOM 506 CA LEU A 32 -3.392 -2.606 -0.490 1.00 21.13 C ATOM 507 C LEU A 32 -2.230 -2.433 -1.484 1.00 5.12 C ATOM 508 O LEU A 32 -2.398 -1.870 -2.566 1.00 4.30 O ATOM 509 CB LEU A 32 -4.438 -3.557 -1.089 1.00 52.40 C ATOM 510 CG LEU A 32 -3.911 -4.938 -1.519 1.00 74.25 C ATOM 511 CD1 LEU A 32 -3.348 -5.705 -0.325 1.00 35.45 C ATOM 512 CD2 LEU A 32 -5.010 -5.741 -2.211 1.00 41.30 C ATOM 0 H LEU A 32 -4.368 -0.800 -0.952 1.00 34.55 H new ATOM 0 HA LEU A 32 -2.986 -3.026 0.430 1.00 21.13 H new ATOM 0 HB2 LEU A 32 -5.232 -3.703 -0.357 1.00 52.40 H new ATOM 0 HB3 LEU A 32 -4.888 -3.074 -1.956 1.00 52.40 H new ATOM 0 HG LEU A 32 -3.100 -4.785 -2.231 1.00 74.25 H new ATOM 0 HD11 LEU A 32 -2.983 -6.677 -0.656 1.00 35.45 H new ATOM 0 HD12 LEU A 32 -2.527 -5.140 0.116 1.00 35.45 H new ATOM 0 HD13 LEU A 32 -4.132 -5.847 0.419 1.00 35.45 H new ATOM 0 HD21 LEU A 32 -4.618 -6.714 -2.507 1.00 41.30 H new ATOM 0 HD22 LEU A 32 -5.846 -5.880 -1.525 1.00 41.30 H new ATOM 0 HD23 LEU A 32 -5.352 -5.203 -3.095 1.00 41.30 H new ATOM 524 N LEU A 33 -1.053 -2.925 -1.109 1.00 54.11 N ATOM 525 CA LEU A 33 0.115 -2.928 -1.997 1.00 5.44 C ATOM 526 C LEU A 33 0.371 -4.340 -2.549 1.00 31.43 C ATOM 527 O LEU A 33 0.722 -5.254 -1.802 1.00 73.21 O ATOM 528 CB LEU A 33 1.344 -2.417 -1.231 1.00 14.13 C ATOM 529 CG LEU A 33 2.687 -2.467 -1.987 1.00 42.24 C ATOM 530 CD1 LEU A 33 2.604 -1.714 -3.309 1.00 12.23 C ATOM 531 CD2 LEU A 33 3.805 -1.899 -1.118 1.00 22.03 C ATOM 0 H LEU A 33 -0.878 -3.331 -0.190 1.00 54.11 H new ATOM 0 HA LEU A 33 -0.079 -2.267 -2.841 1.00 5.44 H new ATOM 0 HB2 LEU A 33 1.157 -1.385 -0.933 1.00 14.13 H new ATOM 0 HB3 LEU A 33 1.444 -3.000 -0.316 1.00 14.13 H new ATOM 0 HG LEU A 33 2.911 -3.510 -2.210 1.00 42.24 H new ATOM 0 HD11 LEU A 33 3.566 -1.767 -3.819 1.00 12.23 H new ATOM 0 HD12 LEU A 33 1.835 -2.165 -3.937 1.00 12.23 H new ATOM 0 HD13 LEU A 33 2.351 -0.671 -3.118 1.00 12.23 H new ATOM 0 HD21 LEU A 33 4.747 -1.941 -1.664 1.00 22.03 H new ATOM 0 HD22 LEU A 33 3.578 -0.864 -0.864 1.00 22.03 H new ATOM 0 HD23 LEU A 33 3.889 -2.487 -0.204 1.00 22.03 H new ATOM 543 N ARG A 34 0.197 -4.513 -3.859 1.00 71.23 N ATOM 544 CA ARG A 34 0.357 -5.827 -4.495 1.00 51.53 C ATOM 545 C ARG A 34 1.811 -6.076 -4.936 1.00 22.25 C ATOM 546 O ARG A 34 2.495 -5.166 -5.406 1.00 13.00 O ATOM 547 CB ARG A 34 -0.609 -5.963 -5.684 1.00 63.32 C ATOM 548 CG ARG A 34 -2.071 -6.083 -5.259 1.00 43.30 C ATOM 549 CD ARG A 34 -3.034 -6.027 -6.444 1.00 12.11 C ATOM 550 NE ARG A 34 -2.688 -6.967 -7.513 1.00 25.53 N ATOM 551 CZ ARG A 34 -2.957 -8.249 -7.503 1.00 61.31 C ATOM 552 NH1 ARG A 34 -3.467 -8.814 -6.454 1.00 52.33 N ATOM 553 NH2 ARG A 34 -2.697 -8.964 -8.549 1.00 12.34 N ATOM 0 H ARG A 34 -0.055 -3.763 -4.503 1.00 71.23 H new ATOM 0 HA ARG A 34 0.112 -6.589 -3.755 1.00 51.53 H new ATOM 0 HB2 ARG A 34 -0.497 -5.097 -6.336 1.00 63.32 H new ATOM 0 HB3 ARG A 34 -0.334 -6.841 -6.269 1.00 63.32 H new ATOM 0 HG2 ARG A 34 -2.214 -7.022 -4.723 1.00 43.30 H new ATOM 0 HG3 ARG A 34 -2.310 -5.279 -4.563 1.00 43.30 H new ATOM 0 HD2 ARG A 34 -4.044 -6.241 -6.094 1.00 12.11 H new ATOM 0 HD3 ARG A 34 -3.044 -5.015 -6.848 1.00 12.11 H new ATOM 0 HE ARG A 34 -2.200 -6.595 -8.328 1.00 25.53 H new ATOM 0 HH11 ARG A 34 -3.664 -8.259 -5.621 1.00 52.33 H new ATOM 0 HH12 ARG A 34 -3.671 -9.813 -6.461 1.00 52.33 H new ATOM 0 HH21 ARG A 34 -2.285 -8.529 -9.375 1.00 12.34 H new ATOM 0 HH22 ARG A 34 -2.904 -9.963 -8.548 1.00 12.34 H new ATOM 567 N PRO A 35 2.294 -7.331 -4.801 1.00 2.25 N ATOM 568 CA PRO A 35 3.701 -7.685 -5.077 1.00 25.42 C ATOM 569 C PRO A 35 4.113 -7.450 -6.537 1.00 74.22 C ATOM 570 O PRO A 35 5.267 -7.130 -6.823 1.00 2.42 O ATOM 571 CB PRO A 35 3.763 -9.182 -4.739 1.00 73.22 C ATOM 572 CG PRO A 35 2.353 -9.655 -4.851 1.00 30.41 C ATOM 573 CD PRO A 35 1.507 -8.506 -4.382 1.00 20.23 C ATOM 0 HA PRO A 35 4.386 -7.066 -4.498 1.00 25.42 H new ATOM 0 HB2 PRO A 35 4.416 -9.717 -5.429 1.00 73.22 H new ATOM 0 HB3 PRO A 35 4.157 -9.345 -3.736 1.00 73.22 H new ATOM 0 HG2 PRO A 35 2.111 -9.927 -5.878 1.00 30.41 H new ATOM 0 HG3 PRO A 35 2.186 -10.541 -4.238 1.00 30.41 H new ATOM 0 HD2 PRO A 35 0.519 -8.516 -4.842 1.00 20.23 H new ATOM 0 HD3 PRO A 35 1.356 -8.528 -3.303 1.00 20.23 H new ATOM 581 N ARG A 36 3.169 -7.617 -7.454 1.00 52.04 N ATOM 582 CA ARG A 36 3.431 -7.400 -8.879 1.00 50.13 C ATOM 583 C ARG A 36 3.753 -5.926 -9.172 1.00 4.22 C ATOM 584 O ARG A 36 4.481 -5.612 -10.114 1.00 12.30 O ATOM 585 CB ARG A 36 2.225 -7.853 -9.707 1.00 33.30 C ATOM 586 CG ARG A 36 1.904 -9.339 -9.571 1.00 23.12 C ATOM 587 CD ARG A 36 0.747 -9.754 -10.472 1.00 74.30 C ATOM 588 NE ARG A 36 1.019 -9.468 -11.881 1.00 3.12 N ATOM 589 CZ ARG A 36 0.614 -10.212 -12.876 1.00 75.43 C ATOM 590 NH1 ARG A 36 -0.051 -11.302 -12.662 1.00 2.14 N ATOM 591 NH2 ARG A 36 0.885 -9.870 -14.092 1.00 43.05 N ATOM 0 H ARG A 36 2.213 -7.902 -7.241 1.00 52.04 H new ATOM 0 HA ARG A 36 4.302 -7.993 -9.157 1.00 50.13 H new ATOM 0 HB2 ARG A 36 1.352 -7.274 -9.406 1.00 33.30 H new ATOM 0 HB3 ARG A 36 2.412 -7.626 -10.757 1.00 33.30 H new ATOM 0 HG2 ARG A 36 2.788 -9.926 -9.821 1.00 23.12 H new ATOM 0 HG3 ARG A 36 1.655 -9.563 -8.534 1.00 23.12 H new ATOM 0 HD2 ARG A 36 0.556 -10.820 -10.349 1.00 74.30 H new ATOM 0 HD3 ARG A 36 -0.158 -9.230 -10.164 1.00 74.30 H new ATOM 0 HE ARG A 36 1.561 -8.632 -12.101 1.00 3.12 H new ATOM 0 HH11 ARG A 36 -0.265 -11.590 -11.707 1.00 2.14 H new ATOM 0 HH12 ARG A 36 -0.361 -11.873 -13.448 1.00 2.14 H new ATOM 0 HH21 ARG A 36 1.416 -9.019 -14.276 1.00 43.05 H new ATOM 0 HH22 ARG A 36 0.568 -10.451 -14.868 1.00 43.05 H new ATOM 605 N ASP A 37 3.219 -5.031 -8.345 1.00 24.14 N ATOM 606 CA ASP A 37 3.439 -3.591 -8.502 1.00 14.15 C ATOM 607 C ASP A 37 4.674 -3.121 -7.708 1.00 32.24 C ATOM 608 O ASP A 37 4.905 -1.923 -7.531 1.00 32.31 O ATOM 609 CB ASP A 37 2.179 -2.842 -8.058 1.00 52.44 C ATOM 610 CG ASP A 37 0.950 -3.350 -8.795 1.00 43.34 C ATOM 611 OD1 ASP A 37 0.630 -2.812 -9.878 1.00 41.13 O ATOM 612 OD2 ASP A 37 0.319 -4.313 -8.317 1.00 35.32 O ATOM 0 H ASP A 37 2.626 -5.278 -7.553 1.00 24.14 H new ATOM 0 HA ASP A 37 3.637 -3.374 -9.552 1.00 14.15 H new ATOM 0 HB2 ASP A 37 2.039 -2.965 -6.984 1.00 52.44 H new ATOM 0 HB3 ASP A 37 2.302 -1.775 -8.243 1.00 52.44 H new ATOM 617 N MET A 38 5.466 -4.085 -7.237 1.00 43.22 N ATOM 618 CA MET A 38 6.740 -3.803 -6.565 1.00 31.41 C ATOM 619 C MET A 38 7.889 -3.635 -7.573 1.00 30.03 C ATOM 620 O MET A 38 7.785 -4.050 -8.730 1.00 40.35 O ATOM 621 CB MET A 38 7.086 -4.938 -5.592 1.00 34.44 C ATOM 622 CG MET A 38 6.423 -4.823 -4.228 1.00 53.23 C ATOM 623 SD MET A 38 7.118 -3.476 -3.251 1.00 31.51 S ATOM 624 CE MET A 38 6.525 -3.895 -1.613 1.00 75.02 C ATOM 0 H MET A 38 5.246 -5.079 -7.309 1.00 43.22 H new ATOM 0 HA MET A 38 6.621 -2.867 -6.020 1.00 31.41 H new ATOM 0 HB2 MET A 38 6.797 -5.887 -6.043 1.00 34.44 H new ATOM 0 HB3 MET A 38 8.167 -4.966 -5.455 1.00 34.44 H new ATOM 0 HG2 MET A 38 5.353 -4.662 -4.357 1.00 53.23 H new ATOM 0 HG3 MET A 38 6.541 -5.762 -3.687 1.00 53.23 H new ATOM 0 HE1 MET A 38 6.523 -3.002 -0.987 1.00 75.02 H new ATOM 0 HE2 MET A 38 5.512 -4.291 -1.683 1.00 75.02 H new ATOM 0 HE3 MET A 38 7.179 -4.647 -1.171 1.00 75.02 H new ATOM 634 N ILE A 39 8.987 -3.028 -7.121 1.00 32.21 N ATOM 635 CA ILE A 39 10.202 -2.897 -7.940 1.00 52.24 C ATOM 636 C ILE A 39 11.346 -3.763 -7.378 1.00 14.12 C ATOM 637 O ILE A 39 11.894 -4.618 -8.074 1.00 2.20 O ATOM 638 CB ILE A 39 10.675 -1.419 -8.026 1.00 22.33 C ATOM 639 CG1 ILE A 39 9.576 -0.530 -8.637 1.00 4.51 C ATOM 640 CG2 ILE A 39 11.968 -1.307 -8.836 1.00 52.20 C ATOM 641 CD1 ILE A 39 9.192 -0.904 -10.054 1.00 71.34 C ATOM 0 H ILE A 39 9.064 -2.617 -6.191 1.00 32.21 H new ATOM 0 HA ILE A 39 9.947 -3.244 -8.941 1.00 52.24 H new ATOM 0 HB ILE A 39 10.876 -1.070 -7.013 1.00 22.33 H new ATOM 0 HG12 ILE A 39 8.689 -0.583 -8.006 1.00 4.51 H new ATOM 0 HG13 ILE A 39 9.914 0.506 -8.625 1.00 4.51 H new ATOM 0 HG21 ILE A 39 12.279 -0.263 -8.882 1.00 52.20 H new ATOM 0 HG22 ILE A 39 12.749 -1.898 -8.358 1.00 52.20 H new ATOM 0 HG23 ILE A 39 11.798 -1.680 -9.846 1.00 52.20 H new ATOM 0 HD11 ILE A 39 8.413 -0.230 -10.410 1.00 71.34 H new ATOM 0 HD12 ILE A 39 10.065 -0.823 -10.701 1.00 71.34 H new ATOM 0 HD13 ILE A 39 8.821 -1.929 -10.072 1.00 71.34 H new ATOM 653 N SER A 40 11.697 -3.539 -6.109 1.00 71.33 N ATOM 654 CA SER A 40 12.805 -4.270 -5.460 1.00 31.41 C ATOM 655 C SER A 40 12.307 -5.223 -4.361 1.00 35.11 C ATOM 656 O SER A 40 12.767 -6.363 -4.253 1.00 63.41 O ATOM 657 CB SER A 40 13.812 -3.275 -4.858 1.00 24.23 C ATOM 658 OG SER A 40 14.878 -3.945 -4.201 1.00 51.30 O ATOM 0 H SER A 40 11.235 -2.859 -5.505 1.00 71.33 H new ATOM 0 HA SER A 40 13.289 -4.872 -6.229 1.00 31.41 H new ATOM 0 HB2 SER A 40 14.212 -2.639 -5.647 1.00 24.23 H new ATOM 0 HB3 SER A 40 13.301 -2.622 -4.151 1.00 24.23 H new ATOM 0 HG SER A 40 15.501 -3.285 -3.831 1.00 51.30 H new ATOM 664 N LEU A 41 11.356 -4.756 -3.554 1.00 21.15 N ATOM 665 CA LEU A 41 10.855 -5.526 -2.408 1.00 62.00 C ATOM 666 C LEU A 41 9.825 -6.595 -2.815 1.00 3.35 C ATOM 667 O LEU A 41 8.966 -6.360 -3.655 1.00 22.50 O ATOM 668 CB LEU A 41 10.235 -4.574 -1.374 1.00 53.53 C ATOM 669 CG LEU A 41 11.230 -3.643 -0.662 1.00 13.21 C ATOM 670 CD1 LEU A 41 10.508 -2.715 0.311 1.00 45.22 C ATOM 671 CD2 LEU A 41 12.301 -4.457 0.064 1.00 3.24 C ATOM 0 H LEU A 41 10.913 -3.845 -3.670 1.00 21.15 H new ATOM 0 HA LEU A 41 11.707 -6.050 -1.975 1.00 62.00 H new ATOM 0 HB2 LEU A 41 9.483 -3.963 -1.872 1.00 53.53 H new ATOM 0 HB3 LEU A 41 9.716 -5.168 -0.622 1.00 53.53 H new ATOM 0 HG LEU A 41 11.718 -3.027 -1.417 1.00 13.21 H new ATOM 0 HD11 LEU A 41 11.234 -2.067 0.802 1.00 45.22 H new ATOM 0 HD12 LEU A 41 9.787 -2.106 -0.234 1.00 45.22 H new ATOM 0 HD13 LEU A 41 9.986 -3.309 1.061 1.00 45.22 H new ATOM 0 HD21 LEU A 41 12.996 -3.781 0.562 1.00 3.24 H new ATOM 0 HD22 LEU A 41 11.828 -5.102 0.805 1.00 3.24 H new ATOM 0 HD23 LEU A 41 12.843 -5.069 -0.656 1.00 3.24 H new ATOM 683 N ARG A 42 9.941 -7.781 -2.220 1.00 45.30 N ATOM 684 CA ARG A 42 8.954 -8.856 -2.398 1.00 2.43 C ATOM 685 C ARG A 42 8.259 -9.176 -1.063 1.00 72.25 C ATOM 686 O ARG A 42 8.856 -9.008 0.001 1.00 14.23 O ATOM 687 CB ARG A 42 9.637 -10.120 -2.948 1.00 44.50 C ATOM 688 CG ARG A 42 10.249 -9.946 -4.336 1.00 11.45 C ATOM 689 CD ARG A 42 9.186 -9.711 -5.406 1.00 32.44 C ATOM 690 NE ARG A 42 9.774 -9.502 -6.727 1.00 64.11 N ATOM 691 CZ ARG A 42 9.098 -9.511 -7.847 1.00 32.34 C ATOM 692 NH1 ARG A 42 7.833 -9.781 -7.857 1.00 54.12 N ATOM 693 NH2 ARG A 42 9.698 -9.275 -8.967 1.00 2.23 N ATOM 0 H ARG A 42 10.715 -8.028 -1.604 1.00 45.30 H new ATOM 0 HA ARG A 42 8.203 -8.518 -3.112 1.00 2.43 H new ATOM 0 HB2 ARG A 42 10.419 -10.428 -2.254 1.00 44.50 H new ATOM 0 HB3 ARG A 42 8.906 -10.928 -2.984 1.00 44.50 H new ATOM 0 HG2 ARG A 42 10.942 -9.105 -4.323 1.00 11.45 H new ATOM 0 HG3 ARG A 42 10.829 -10.833 -4.590 1.00 11.45 H new ATOM 0 HD2 ARG A 42 8.512 -10.567 -5.441 1.00 32.44 H new ATOM 0 HD3 ARG A 42 8.585 -8.843 -5.135 1.00 32.44 H new ATOM 0 HE ARG A 42 10.779 -9.338 -6.780 1.00 64.11 H new ATOM 0 HH11 ARG A 42 7.349 -9.991 -6.984 1.00 54.12 H new ATOM 0 HH12 ARG A 42 7.319 -9.784 -8.738 1.00 54.12 H new ATOM 0 HH21 ARG A 42 10.699 -9.082 -8.978 1.00 2.23 H new ATOM 0 HH22 ARG A 42 9.170 -9.282 -9.840 1.00 2.23 H new ATOM 707 N LEU A 43 7.009 -9.653 -1.118 1.00 32.22 N ATOM 708 CA LEU A 43 6.252 -10.002 0.102 1.00 23.41 C ATOM 709 C LEU A 43 7.048 -10.953 1.011 1.00 13.53 C ATOM 710 O LEU A 43 6.983 -10.861 2.236 1.00 63.24 O ATOM 711 CB LEU A 43 4.908 -10.653 -0.261 1.00 70.22 C ATOM 712 CG LEU A 43 3.909 -9.754 -1.012 1.00 43.31 C ATOM 713 CD1 LEU A 43 2.625 -10.520 -1.314 1.00 12.44 C ATOM 714 CD2 LEU A 43 3.604 -8.487 -0.209 1.00 30.23 C ATOM 0 H LEU A 43 6.498 -9.807 -1.987 1.00 32.22 H new ATOM 0 HA LEU A 43 6.073 -9.074 0.644 1.00 23.41 H new ATOM 0 HB2 LEU A 43 5.106 -11.534 -0.872 1.00 70.22 H new ATOM 0 HB3 LEU A 43 4.435 -11.002 0.657 1.00 70.22 H new ATOM 0 HG LEU A 43 4.364 -9.454 -1.956 1.00 43.31 H new ATOM 0 HD11 LEU A 43 1.930 -9.870 -1.845 1.00 12.44 H new ATOM 0 HD12 LEU A 43 2.856 -11.387 -1.933 1.00 12.44 H new ATOM 0 HD13 LEU A 43 2.171 -10.851 -0.380 1.00 12.44 H new ATOM 0 HD21 LEU A 43 2.896 -7.868 -0.760 1.00 30.23 H new ATOM 0 HD22 LEU A 43 3.173 -8.761 0.754 1.00 30.23 H new ATOM 0 HD23 LEU A 43 4.526 -7.928 -0.048 1.00 30.23 H new ATOM 726 N GLU A 44 7.816 -11.843 0.386 1.00 31.34 N ATOM 727 CA GLU A 44 8.625 -12.838 1.101 1.00 63.34 C ATOM 728 C GLU A 44 9.613 -12.196 2.095 1.00 42.41 C ATOM 729 O GLU A 44 10.092 -12.861 3.018 1.00 4.12 O ATOM 730 CB GLU A 44 9.400 -13.687 0.082 1.00 3.13 C ATOM 731 CG GLU A 44 8.519 -14.317 -0.994 1.00 51.13 C ATOM 732 CD GLU A 44 9.317 -15.097 -2.028 1.00 13.20 C ATOM 733 OE1 GLU A 44 9.760 -14.492 -3.029 1.00 52.41 O ATOM 734 OE2 GLU A 44 9.511 -16.316 -1.842 1.00 51.31 O ATOM 0 H GLU A 44 7.898 -11.898 -0.629 1.00 31.34 H new ATOM 0 HA GLU A 44 7.943 -13.459 1.681 1.00 63.34 H new ATOM 0 HB2 GLU A 44 10.153 -13.063 -0.398 1.00 3.13 H new ATOM 0 HB3 GLU A 44 9.932 -14.478 0.612 1.00 3.13 H new ATOM 0 HG2 GLU A 44 7.797 -14.983 -0.522 1.00 51.13 H new ATOM 0 HG3 GLU A 44 7.950 -13.534 -1.496 1.00 51.13 H new ATOM 741 N ASN A 45 9.916 -10.909 1.902 1.00 41.33 N ATOM 742 CA ASN A 45 10.923 -10.212 2.721 1.00 12.30 C ATOM 743 C ASN A 45 10.307 -9.114 3.609 1.00 30.32 C ATOM 744 O ASN A 45 11.009 -8.500 4.418 1.00 13.43 O ATOM 745 CB ASN A 45 11.979 -9.575 1.810 1.00 11.03 C ATOM 746 CG ASN A 45 12.563 -10.556 0.811 1.00 74.24 C ATOM 747 OD1 ASN A 45 12.651 -11.751 1.062 1.00 22.42 O ATOM 748 ND2 ASN A 45 12.967 -10.054 -0.335 1.00 1.53 N ATOM 0 H ASN A 45 9.481 -10.325 1.187 1.00 41.33 H new ATOM 0 HA ASN A 45 11.373 -10.959 3.375 1.00 12.30 H new ATOM 0 HB2 ASN A 45 11.532 -8.739 1.272 1.00 11.03 H new ATOM 0 HB3 ASN A 45 12.782 -9.166 2.423 1.00 11.03 H new ATOM 0 HD21 ASN A 45 13.368 -10.665 -1.046 1.00 1.53 H new ATOM 0 HD22 ASN A 45 12.879 -9.053 -0.513 1.00 1.53 H new ATOM 755 N LEU A 46 9.011 -8.858 3.456 1.00 10.24 N ATOM 756 CA LEU A 46 8.355 -7.759 4.178 1.00 24.34 C ATOM 757 C LEU A 46 7.955 -8.168 5.603 1.00 41.11 C ATOM 758 O LEU A 46 7.587 -9.318 5.856 1.00 12.24 O ATOM 759 CB LEU A 46 7.125 -7.264 3.405 1.00 21.41 C ATOM 760 CG LEU A 46 7.393 -6.809 1.961 1.00 3.32 C ATOM 761 CD1 LEU A 46 6.140 -6.196 1.344 1.00 45.13 C ATOM 762 CD2 LEU A 46 8.563 -5.827 1.903 1.00 64.35 C ATOM 0 H LEU A 46 8.393 -9.390 2.844 1.00 10.24 H new ATOM 0 HA LEU A 46 9.078 -6.947 4.257 1.00 24.34 H new ATOM 0 HB2 LEU A 46 6.384 -8.063 3.385 1.00 21.41 H new ATOM 0 HB3 LEU A 46 6.682 -6.433 3.954 1.00 21.41 H new ATOM 0 HG LEU A 46 7.664 -7.689 1.377 1.00 3.32 H new ATOM 0 HD11 LEU A 46 6.354 -5.882 0.323 1.00 45.13 H new ATOM 0 HD12 LEU A 46 5.339 -6.936 1.336 1.00 45.13 H new ATOM 0 HD13 LEU A 46 5.830 -5.332 1.932 1.00 45.13 H new ATOM 0 HD21 LEU A 46 8.731 -5.522 0.870 1.00 64.35 H new ATOM 0 HD22 LEU A 46 8.332 -4.950 2.508 1.00 64.35 H new ATOM 0 HD23 LEU A 46 9.461 -6.308 2.289 1.00 64.35 H new ATOM 774 N ASN A 47 8.023 -7.212 6.530 1.00 32.11 N ATOM 775 CA ASN A 47 7.722 -7.463 7.945 1.00 11.34 C ATOM 776 C ASN A 47 6.609 -6.533 8.448 1.00 31.34 C ATOM 777 O ASN A 47 6.415 -5.428 7.929 1.00 33.04 O ATOM 778 CB ASN A 47 8.981 -7.245 8.800 1.00 13.23 C ATOM 779 CG ASN A 47 10.199 -7.965 8.246 1.00 1.12 C ATOM 780 OD1 ASN A 47 10.451 -9.122 8.556 1.00 45.03 O ATOM 781 ND2 ASN A 47 10.971 -7.275 7.434 1.00 15.21 N ATOM 0 H ASN A 47 8.286 -6.248 6.326 1.00 32.11 H new ATOM 0 HA ASN A 47 7.386 -8.496 8.035 1.00 11.34 H new ATOM 0 HB2 ASN A 47 9.192 -6.178 8.862 1.00 13.23 H new ATOM 0 HB3 ASN A 47 8.790 -7.592 9.816 1.00 13.23 H new ATOM 0 HD21 ASN A 47 11.810 -7.703 7.042 1.00 15.21 H new ATOM 0 HD22 ASN A 47 10.731 -6.312 7.197 1.00 15.21 H new ATOM 788 N VAL A 48 5.887 -6.979 9.469 1.00 41.35 N ATOM 789 CA VAL A 48 4.877 -6.143 10.117 1.00 51.41 C ATOM 790 C VAL A 48 5.542 -4.956 10.831 1.00 15.22 C ATOM 791 O VAL A 48 6.273 -5.135 11.806 1.00 71.24 O ATOM 792 CB VAL A 48 4.038 -6.956 11.137 1.00 12.13 C ATOM 793 CG1 VAL A 48 3.032 -6.055 11.852 1.00 4.43 C ATOM 794 CG2 VAL A 48 3.330 -8.123 10.447 1.00 34.32 C ATOM 0 H VAL A 48 5.980 -7.913 9.868 1.00 41.35 H new ATOM 0 HA VAL A 48 4.210 -5.773 9.339 1.00 51.41 H new ATOM 0 HB VAL A 48 4.716 -7.366 11.886 1.00 12.13 H new ATOM 0 HG11 VAL A 48 2.455 -6.646 12.563 1.00 4.43 H new ATOM 0 HG12 VAL A 48 3.564 -5.266 12.384 1.00 4.43 H new ATOM 0 HG13 VAL A 48 2.359 -5.609 11.120 1.00 4.43 H new ATOM 0 HG21 VAL A 48 2.747 -8.680 11.181 1.00 34.32 H new ATOM 0 HG22 VAL A 48 2.666 -7.739 9.672 1.00 34.32 H new ATOM 0 HG23 VAL A 48 4.071 -8.783 9.996 1.00 34.32 H new ATOM 804 N GLY A 49 5.290 -3.745 10.341 1.00 60.31 N ATOM 805 CA GLY A 49 5.907 -2.555 10.926 1.00 21.21 C ATOM 806 C GLY A 49 6.846 -1.820 9.968 1.00 55.21 C ATOM 807 O GLY A 49 7.253 -0.687 10.243 1.00 10.03 O ATOM 0 H GLY A 49 4.672 -3.561 9.551 1.00 60.31 H new ATOM 0 HA2 GLY A 49 5.123 -1.871 11.249 1.00 21.21 H new ATOM 0 HA3 GLY A 49 6.464 -2.845 11.817 1.00 21.21 H new ATOM 811 N ASP A 50 7.195 -2.455 8.847 1.00 61.25 N ATOM 812 CA ASP A 50 8.035 -1.808 7.831 1.00 11.00 C ATOM 813 C ASP A 50 7.341 -0.579 7.222 1.00 45.10 C ATOM 814 O ASP A 50 6.223 -0.667 6.707 1.00 52.21 O ATOM 815 CB ASP A 50 8.420 -2.794 6.716 1.00 61.24 C ATOM 816 CG ASP A 50 9.531 -3.750 7.121 1.00 44.54 C ATOM 817 OD1 ASP A 50 10.395 -3.357 7.935 1.00 70.55 O ATOM 818 OD2 ASP A 50 9.570 -4.879 6.594 1.00 75.14 O ATOM 0 H ASP A 50 6.913 -3.408 8.619 1.00 61.25 H new ATOM 0 HA ASP A 50 8.943 -1.476 8.335 1.00 11.00 H new ATOM 0 HB2 ASP A 50 7.540 -3.370 6.429 1.00 61.24 H new ATOM 0 HB3 ASP A 50 8.735 -2.233 5.836 1.00 61.24 H new ATOM 823 N GLU A 51 8.013 0.564 7.293 1.00 51.32 N ATOM 824 CA GLU A 51 7.505 1.815 6.724 1.00 54.12 C ATOM 825 C GLU A 51 7.951 1.966 5.262 1.00 14.14 C ATOM 826 O GLU A 51 9.126 2.208 4.985 1.00 54.23 O ATOM 827 CB GLU A 51 8.011 2.999 7.558 1.00 22.54 C ATOM 828 CG GLU A 51 7.549 2.967 9.015 1.00 21.12 C ATOM 829 CD GLU A 51 8.331 3.922 9.905 1.00 34.23 C ATOM 830 OE1 GLU A 51 7.994 5.122 9.945 1.00 1.21 O ATOM 831 OE2 GLU A 51 9.299 3.470 10.557 1.00 4.41 O ATOM 0 H GLU A 51 8.923 0.654 7.744 1.00 51.32 H new ATOM 0 HA GLU A 51 6.415 1.797 6.746 1.00 54.12 H new ATOM 0 HB2 GLU A 51 9.101 3.011 7.532 1.00 22.54 H new ATOM 0 HB3 GLU A 51 7.671 3.927 7.099 1.00 22.54 H new ATOM 0 HG2 GLU A 51 6.490 3.221 9.061 1.00 21.12 H new ATOM 0 HG3 GLU A 51 7.651 1.953 9.401 1.00 21.12 H new ATOM 838 N ILE A 52 7.013 1.820 4.333 1.00 61.02 N ATOM 839 CA ILE A 52 7.330 1.857 2.897 1.00 44.11 C ATOM 840 C ILE A 52 6.701 3.075 2.191 1.00 21.33 C ATOM 841 O ILE A 52 5.557 3.449 2.460 1.00 33.31 O ATOM 842 CB ILE A 52 6.855 0.557 2.188 1.00 71.12 C ATOM 843 CG1 ILE A 52 7.507 -0.679 2.836 1.00 73.01 C ATOM 844 CG2 ILE A 52 7.163 0.602 0.687 1.00 34.41 C ATOM 845 CD1 ILE A 52 7.102 -1.995 2.201 1.00 4.23 C ATOM 0 H ILE A 52 6.025 1.675 4.541 1.00 61.02 H new ATOM 0 HA ILE A 52 8.414 1.940 2.824 1.00 44.11 H new ATOM 0 HB ILE A 52 5.774 0.484 2.307 1.00 71.12 H new ATOM 0 HG12 ILE A 52 8.591 -0.578 2.778 1.00 73.01 H new ATOM 0 HG13 ILE A 52 7.245 -0.702 3.894 1.00 73.01 H new ATOM 0 HG21 ILE A 52 6.820 -0.320 0.217 1.00 34.41 H new ATOM 0 HG22 ILE A 52 6.651 1.452 0.236 1.00 34.41 H new ATOM 0 HG23 ILE A 52 8.238 0.706 0.539 1.00 34.41 H new ATOM 0 HD11 ILE A 52 7.603 -2.816 2.714 1.00 4.23 H new ATOM 0 HD12 ILE A 52 6.022 -2.121 2.283 1.00 4.23 H new ATOM 0 HD13 ILE A 52 7.389 -1.995 1.149 1.00 4.23 H new ATOM 857 N ILE A 53 7.468 3.691 1.286 1.00 12.24 N ATOM 858 CA ILE A 53 6.969 4.792 0.454 1.00 62.31 C ATOM 859 C ILE A 53 6.249 4.246 -0.790 1.00 71.31 C ATOM 860 O ILE A 53 6.843 3.526 -1.596 1.00 21.24 O ATOM 861 CB ILE A 53 8.121 5.731 0.006 1.00 32.22 C ATOM 862 CG1 ILE A 53 8.874 6.276 1.233 1.00 31.45 C ATOM 863 CG2 ILE A 53 7.581 6.876 -0.856 1.00 23.12 C ATOM 864 CD1 ILE A 53 10.042 7.181 0.892 1.00 52.45 C ATOM 0 H ILE A 53 8.442 3.445 1.110 1.00 12.24 H new ATOM 0 HA ILE A 53 6.267 5.364 1.061 1.00 62.31 H new ATOM 0 HB ILE A 53 8.822 5.156 -0.599 1.00 32.22 H new ATOM 0 HG12 ILE A 53 8.173 6.826 1.861 1.00 31.45 H new ATOM 0 HG13 ILE A 53 9.240 5.436 1.824 1.00 31.45 H new ATOM 0 HG21 ILE A 53 8.404 7.523 -1.160 1.00 23.12 H new ATOM 0 HG22 ILE A 53 7.095 6.467 -1.742 1.00 23.12 H new ATOM 0 HG23 ILE A 53 6.858 7.455 -0.281 1.00 23.12 H new ATOM 0 HD11 ILE A 53 10.518 7.522 1.811 1.00 52.45 H new ATOM 0 HD12 ILE A 53 10.766 6.630 0.291 1.00 52.45 H new ATOM 0 HD13 ILE A 53 9.683 8.042 0.328 1.00 52.45 H new ATOM 876 N VAL A 54 4.975 4.597 -0.946 1.00 52.10 N ATOM 877 CA VAL A 54 4.149 4.056 -2.033 1.00 64.21 C ATOM 878 C VAL A 54 3.334 5.145 -2.743 1.00 30.13 C ATOM 879 O VAL A 54 3.009 6.184 -2.164 1.00 10.31 O ATOM 880 CB VAL A 54 3.174 2.969 -1.506 1.00 33.32 C ATOM 881 CG1 VAL A 54 3.938 1.744 -1.009 1.00 52.35 C ATOM 882 CG2 VAL A 54 2.277 3.533 -0.400 1.00 65.05 C ATOM 0 H VAL A 54 4.488 5.253 -0.336 1.00 52.10 H new ATOM 0 HA VAL A 54 4.843 3.617 -2.750 1.00 64.21 H new ATOM 0 HB VAL A 54 2.539 2.657 -2.335 1.00 33.32 H new ATOM 0 HG11 VAL A 54 3.232 0.998 -0.645 1.00 52.35 H new ATOM 0 HG12 VAL A 54 4.522 1.323 -1.827 1.00 52.35 H new ATOM 0 HG13 VAL A 54 4.607 2.036 -0.199 1.00 52.35 H new ATOM 0 HG21 VAL A 54 1.602 2.754 -0.046 1.00 65.05 H new ATOM 0 HG22 VAL A 54 2.895 3.881 0.428 1.00 65.05 H new ATOM 0 HG23 VAL A 54 1.695 4.366 -0.793 1.00 65.05 H new ATOM 892 N GLN A 55 3.010 4.897 -4.008 1.00 31.10 N ATOM 893 CA GLN A 55 2.151 5.798 -4.782 1.00 13.12 C ATOM 894 C GLN A 55 0.742 5.204 -4.925 1.00 13.13 C ATOM 895 O GLN A 55 0.587 4.022 -5.238 1.00 2.20 O ATOM 896 CB GLN A 55 2.760 6.050 -6.168 1.00 43.13 C ATOM 897 CG GLN A 55 1.987 7.062 -7.015 1.00 41.34 C ATOM 898 CD GLN A 55 2.632 7.317 -8.371 1.00 60.33 C ATOM 899 OE1 GLN A 55 3.266 6.440 -8.949 1.00 65.34 O ATOM 900 NE2 GLN A 55 2.481 8.522 -8.884 1.00 43.42 N ATOM 0 H GLN A 55 3.329 4.077 -4.524 1.00 31.10 H new ATOM 0 HA GLN A 55 2.077 6.747 -4.251 1.00 13.12 H new ATOM 0 HB2 GLN A 55 3.784 6.403 -6.044 1.00 43.13 H new ATOM 0 HB3 GLN A 55 2.811 5.104 -6.708 1.00 43.13 H new ATOM 0 HG2 GLN A 55 0.970 6.701 -7.165 1.00 41.34 H new ATOM 0 HG3 GLN A 55 1.914 8.003 -6.470 1.00 41.34 H new ATOM 0 HE21 GLN A 55 1.948 9.229 -8.378 1.00 43.42 H new ATOM 0 HE22 GLN A 55 2.897 8.748 -9.787 1.00 43.42 H new ATOM 909 N ALA A 56 -0.280 6.024 -4.694 1.00 10.11 N ATOM 910 CA ALA A 56 -1.672 5.571 -4.795 1.00 21.54 C ATOM 911 C ALA A 56 -2.098 5.378 -6.260 1.00 71.54 C ATOM 912 O ALA A 56 -2.305 6.346 -6.986 1.00 21.31 O ATOM 913 CB ALA A 56 -2.596 6.564 -4.098 1.00 15.24 C ATOM 0 H ALA A 56 -0.175 7.005 -4.436 1.00 10.11 H new ATOM 0 HA ALA A 56 -1.748 4.603 -4.300 1.00 21.54 H new ATOM 0 HB1 ALA A 56 -3.627 6.220 -4.178 1.00 15.24 H new ATOM 0 HB2 ALA A 56 -2.320 6.642 -3.046 1.00 15.24 H new ATOM 0 HB3 ALA A 56 -2.502 7.542 -4.571 1.00 15.24 H new ATOM 919 N ILE A 57 -2.225 4.122 -6.689 1.00 51.34 N ATOM 920 CA ILE A 57 -2.603 3.808 -8.074 1.00 1.04 C ATOM 921 C ILE A 57 -4.025 4.301 -8.396 1.00 41.11 C ATOM 922 O ILE A 57 -4.210 5.248 -9.165 1.00 5.01 O ATOM 923 CB ILE A 57 -2.527 2.284 -8.356 1.00 0.44 C ATOM 924 CG1 ILE A 57 -1.147 1.725 -7.977 1.00 50.11 C ATOM 925 CG2 ILE A 57 -2.838 1.995 -9.824 1.00 43.21 C ATOM 926 CD1 ILE A 57 -1.008 0.230 -8.204 1.00 63.23 C ATOM 0 H ILE A 57 -2.072 3.303 -6.100 1.00 51.34 H new ATOM 0 HA ILE A 57 -1.888 4.327 -8.712 1.00 1.04 H new ATOM 0 HB ILE A 57 -3.275 1.787 -7.739 1.00 0.44 H new ATOM 0 HG12 ILE A 57 -0.384 2.244 -8.557 1.00 50.11 H new ATOM 0 HG13 ILE A 57 -0.953 1.943 -6.927 1.00 50.11 H new ATOM 0 HG21 ILE A 57 -2.780 0.921 -10.004 1.00 43.21 H new ATOM 0 HG22 ILE A 57 -3.842 2.349 -10.060 1.00 43.21 H new ATOM 0 HG23 ILE A 57 -2.114 2.508 -10.457 1.00 43.21 H new ATOM 0 HD11 ILE A 57 -0.008 -0.091 -7.914 1.00 63.23 H new ATOM 0 HD12 ILE A 57 -1.747 -0.300 -7.603 1.00 63.23 H new ATOM 0 HD13 ILE A 57 -1.169 0.006 -9.258 1.00 63.23 H new ATOM 938 N ASP A 58 -5.025 3.651 -7.806 1.00 54.14 N ATOM 939 CA ASP A 58 -6.427 4.022 -8.009 1.00 52.24 C ATOM 940 C ASP A 58 -7.136 4.218 -6.661 1.00 44.11 C ATOM 941 O ASP A 58 -6.914 3.460 -5.715 1.00 4.13 O ATOM 942 CB ASP A 58 -7.160 2.950 -8.829 1.00 45.13 C ATOM 943 CG ASP A 58 -6.567 2.754 -10.217 1.00 3.01 C ATOM 944 OD1 ASP A 58 -6.571 3.717 -11.011 1.00 14.31 O ATOM 945 OD2 ASP A 58 -6.107 1.633 -10.524 1.00 41.20 O ATOM 0 H ASP A 58 -4.891 2.858 -7.178 1.00 54.14 H new ATOM 0 HA ASP A 58 -6.448 4.962 -8.560 1.00 52.24 H new ATOM 0 HB2 ASP A 58 -7.129 2.003 -8.290 1.00 45.13 H new ATOM 0 HB3 ASP A 58 -8.210 3.228 -8.924 1.00 45.13 H new ATOM 950 N VAL A 59 -7.979 5.244 -6.580 1.00 21.04 N ATOM 951 CA VAL A 59 -8.739 5.534 -5.361 1.00 31.22 C ATOM 952 C VAL A 59 -10.236 5.669 -5.674 1.00 2.34 C ATOM 953 O VAL A 59 -10.673 6.669 -6.245 1.00 12.34 O ATOM 954 CB VAL A 59 -8.239 6.837 -4.680 1.00 3.41 C ATOM 955 CG1 VAL A 59 -9.029 7.134 -3.405 1.00 1.23 C ATOM 956 CG2 VAL A 59 -6.742 6.754 -4.382 1.00 74.43 C ATOM 0 H VAL A 59 -8.156 5.893 -7.347 1.00 21.04 H new ATOM 0 HA VAL A 59 -8.585 4.699 -4.677 1.00 31.22 H new ATOM 0 HB VAL A 59 -8.405 7.660 -5.375 1.00 3.41 H new ATOM 0 HG11 VAL A 59 -8.656 8.052 -2.951 1.00 1.23 H new ATOM 0 HG12 VAL A 59 -10.084 7.254 -3.650 1.00 1.23 H new ATOM 0 HG13 VAL A 59 -8.911 6.308 -2.703 1.00 1.23 H new ATOM 0 HG21 VAL A 59 -6.414 7.678 -3.905 1.00 74.43 H new ATOM 0 HG22 VAL A 59 -6.550 5.913 -3.715 1.00 74.43 H new ATOM 0 HG23 VAL A 59 -6.193 6.612 -5.313 1.00 74.43 H new ATOM 966 N ARG A 60 -11.016 4.651 -5.320 1.00 11.00 N ATOM 967 CA ARG A 60 -12.468 4.673 -5.547 1.00 1.32 C ATOM 968 C ARG A 60 -13.240 4.560 -4.219 1.00 60.41 C ATOM 969 O ARG A 60 -13.393 3.462 -3.673 1.00 71.11 O ATOM 970 CB ARG A 60 -12.880 3.535 -6.497 1.00 13.13 C ATOM 971 CG ARG A 60 -12.237 3.627 -7.880 1.00 53.43 C ATOM 972 CD ARG A 60 -12.678 2.488 -8.798 1.00 34.23 C ATOM 973 NE ARG A 60 -14.107 2.551 -9.130 1.00 23.45 N ATOM 974 CZ ARG A 60 -14.675 1.835 -10.071 1.00 14.03 C ATOM 975 NH1 ARG A 60 -13.981 1.006 -10.788 1.00 42.34 N ATOM 976 NH2 ARG A 60 -15.943 1.951 -10.301 1.00 41.53 N ATOM 0 H ARG A 60 -10.673 3.800 -4.875 1.00 11.00 H new ATOM 0 HA ARG A 60 -12.721 5.628 -6.008 1.00 1.32 H new ATOM 0 HB2 ARG A 60 -12.612 2.580 -6.044 1.00 13.13 H new ATOM 0 HB3 ARG A 60 -13.964 3.541 -6.609 1.00 13.13 H new ATOM 0 HG2 ARG A 60 -12.498 4.582 -8.337 1.00 53.43 H new ATOM 0 HG3 ARG A 60 -11.152 3.609 -7.776 1.00 53.43 H new ATOM 0 HD2 ARG A 60 -12.093 2.520 -9.717 1.00 34.23 H new ATOM 0 HD3 ARG A 60 -12.462 1.534 -8.317 1.00 34.23 H new ATOM 0 HE ARG A 60 -14.694 3.191 -8.596 1.00 23.45 H new ATOM 0 HH11 ARG A 60 -12.980 0.904 -10.624 1.00 42.34 H new ATOM 0 HH12 ARG A 60 -14.437 0.456 -11.516 1.00 42.34 H new ATOM 0 HH21 ARG A 60 -16.504 2.601 -9.750 1.00 41.53 H new ATOM 0 HH22 ARG A 60 -16.382 1.393 -11.033 1.00 41.53 H new ATOM 990 N PRO A 61 -13.747 5.695 -3.685 1.00 4.11 N ATOM 991 CA PRO A 61 -14.499 5.716 -2.414 1.00 4.23 C ATOM 992 C PRO A 61 -15.690 4.744 -2.415 1.00 24.52 C ATOM 993 O PRO A 61 -16.048 4.182 -1.380 1.00 42.32 O ATOM 994 CB PRO A 61 -14.980 7.176 -2.295 1.00 33.10 C ATOM 995 CG PRO A 61 -14.804 7.763 -3.660 1.00 73.11 C ATOM 996 CD PRO A 61 -13.631 7.044 -4.267 1.00 34.02 C ATOM 0 HA PRO A 61 -13.881 5.395 -1.575 1.00 4.23 H new ATOM 0 HB2 PRO A 61 -16.022 7.222 -1.979 1.00 33.10 H new ATOM 0 HB3 PRO A 61 -14.397 7.723 -1.554 1.00 33.10 H new ATOM 0 HG2 PRO A 61 -15.701 7.626 -4.263 1.00 73.11 H new ATOM 0 HG3 PRO A 61 -14.619 8.836 -3.603 1.00 73.11 H new ATOM 0 HD2 PRO A 61 -13.687 7.022 -5.355 1.00 34.02 H new ATOM 0 HD3 PRO A 61 -12.685 7.518 -4.006 1.00 34.02 H new ATOM 1004 N GLU A 62 -16.284 4.544 -3.593 1.00 51.45 N ATOM 1005 CA GLU A 62 -17.401 3.606 -3.767 1.00 55.51 C ATOM 1006 C GLU A 62 -17.006 2.169 -3.368 1.00 22.10 C ATOM 1007 O GLU A 62 -17.823 1.411 -2.841 1.00 33.10 O ATOM 1008 CB GLU A 62 -17.867 3.621 -5.231 1.00 14.22 C ATOM 1009 CG GLU A 62 -16.824 3.070 -6.201 1.00 50.44 C ATOM 1010 CD GLU A 62 -17.263 3.106 -7.654 1.00 12.20 C ATOM 1011 OE1 GLU A 62 -18.144 2.317 -8.036 1.00 53.32 O ATOM 1012 OE2 GLU A 62 -16.702 3.911 -8.427 1.00 63.23 O ATOM 0 H GLU A 62 -16.008 5.023 -4.450 1.00 51.45 H new ATOM 0 HA GLU A 62 -18.211 3.928 -3.113 1.00 55.51 H new ATOM 0 HB2 GLU A 62 -18.782 3.035 -5.320 1.00 14.22 H new ATOM 0 HB3 GLU A 62 -18.114 4.644 -5.516 1.00 14.22 H new ATOM 0 HG2 GLU A 62 -15.903 3.643 -6.095 1.00 50.44 H new ATOM 0 HG3 GLU A 62 -16.593 2.041 -5.926 1.00 50.44 H new ATOM 1019 N LYS A 63 -15.749 1.798 -3.636 1.00 35.42 N ATOM 1020 CA LYS A 63 -15.246 0.456 -3.316 1.00 13.42 C ATOM 1021 C LYS A 63 -14.563 0.434 -1.940 1.00 14.41 C ATOM 1022 O LYS A 63 -14.367 -0.630 -1.355 1.00 24.23 O ATOM 1023 CB LYS A 63 -14.237 -0.008 -4.387 1.00 64.10 C ATOM 1024 CG LYS A 63 -14.737 0.041 -5.838 1.00 35.52 C ATOM 1025 CD LYS A 63 -15.692 -1.106 -6.204 1.00 53.10 C ATOM 1026 CE LYS A 63 -17.069 -0.969 -5.561 1.00 44.51 C ATOM 1027 NZ LYS A 63 -18.021 -2.005 -6.048 1.00 63.53 N ATOM 0 H LYS A 63 -15.060 2.409 -4.074 1.00 35.42 H new ATOM 0 HA LYS A 63 -16.100 -0.221 -3.297 1.00 13.42 H new ATOM 0 HB2 LYS A 63 -13.343 0.610 -4.309 1.00 64.10 H new ATOM 0 HB3 LYS A 63 -13.938 -1.031 -4.159 1.00 64.10 H new ATOM 0 HG2 LYS A 63 -15.244 0.991 -6.006 1.00 35.52 H new ATOM 0 HG3 LYS A 63 -13.879 0.015 -6.509 1.00 35.52 H new ATOM 0 HD2 LYS A 63 -15.806 -1.144 -7.287 1.00 53.10 H new ATOM 0 HD3 LYS A 63 -15.247 -2.053 -5.897 1.00 53.10 H new ATOM 0 HE2 LYS A 63 -16.972 -1.047 -4.478 1.00 44.51 H new ATOM 0 HE3 LYS A 63 -17.471 0.021 -5.775 1.00 44.51 H new ATOM 0 HZ1 LYS A 63 -18.943 -1.874 -5.585 1.00 63.53 H new ATOM 0 HZ2 LYS A 63 -18.135 -1.915 -7.078 1.00 63.53 H new ATOM 0 HZ3 LYS A 63 -17.651 -2.950 -5.822 1.00 63.53 H new ATOM 1041 N ARG A 64 -14.207 1.625 -1.437 1.00 24.24 N ATOM 1042 CA ARG A 64 -13.460 1.771 -0.172 1.00 30.21 C ATOM 1043 C ARG A 64 -12.054 1.145 -0.277 1.00 63.31 C ATOM 1044 O ARG A 64 -11.409 0.864 0.732 1.00 0.43 O ATOM 1045 CB ARG A 64 -14.229 1.131 0.996 1.00 71.30 C ATOM 1046 CG ARG A 64 -15.647 1.663 1.177 1.00 11.22 C ATOM 1047 CD ARG A 64 -16.392 0.905 2.273 1.00 42.01 C ATOM 1048 NE ARG A 64 -16.381 -0.537 2.037 1.00 72.33 N ATOM 1049 CZ ARG A 64 -16.895 -1.426 2.841 1.00 12.10 C ATOM 1050 NH1 ARG A 64 -17.494 -1.067 3.927 1.00 63.41 N ATOM 1051 NH2 ARG A 64 -16.799 -2.677 2.549 1.00 51.12 N ATOM 0 H ARG A 64 -14.426 2.512 -1.890 1.00 24.24 H new ATOM 0 HA ARG A 64 -13.350 2.838 0.020 1.00 30.21 H new ATOM 0 HB2 ARG A 64 -14.275 0.053 0.839 1.00 71.30 H new ATOM 0 HB3 ARG A 64 -13.671 1.296 1.918 1.00 71.30 H new ATOM 0 HG2 ARG A 64 -15.610 2.723 1.427 1.00 11.22 H new ATOM 0 HG3 ARG A 64 -16.192 1.576 0.237 1.00 11.22 H new ATOM 0 HD2 ARG A 64 -15.934 1.119 3.239 1.00 42.01 H new ATOM 0 HD3 ARG A 64 -17.422 1.258 2.323 1.00 42.01 H new ATOM 0 HE ARG A 64 -15.939 -0.873 1.181 1.00 72.33 H new ATOM 0 HH11 ARG A 64 -17.570 -0.078 4.165 1.00 63.41 H new ATOM 0 HH12 ARG A 64 -17.892 -1.772 4.547 1.00 63.41 H new ATOM 0 HH21 ARG A 64 -16.324 -2.966 1.694 1.00 51.12 H new ATOM 0 HH22 ARG A 64 -17.198 -3.378 3.173 1.00 51.12 H new ATOM 1065 N GLU A 65 -11.582 0.952 -1.509 1.00 15.02 N ATOM 1066 CA GLU A 65 -10.294 0.298 -1.762 1.00 12.24 C ATOM 1067 C GLU A 65 -9.292 1.260 -2.413 1.00 4.53 C ATOM 1068 O GLU A 65 -9.638 2.023 -3.319 1.00 11.23 O ATOM 1069 CB GLU A 65 -10.492 -0.926 -2.669 1.00 12.24 C ATOM 1070 CG GLU A 65 -11.459 -1.961 -2.102 1.00 40.55 C ATOM 1071 CD GLU A 65 -11.654 -3.150 -3.028 1.00 70.41 C ATOM 1072 OE1 GLU A 65 -12.454 -3.045 -3.981 1.00 70.04 O ATOM 1073 OE2 GLU A 65 -11.016 -4.199 -2.804 1.00 72.24 O ATOM 0 H GLU A 65 -12.075 1.241 -2.354 1.00 15.02 H new ATOM 0 HA GLU A 65 -9.890 -0.018 -0.800 1.00 12.24 H new ATOM 0 HB2 GLU A 65 -10.859 -0.592 -3.639 1.00 12.24 H new ATOM 0 HB3 GLU A 65 -9.526 -1.400 -2.840 1.00 12.24 H new ATOM 0 HG2 GLU A 65 -11.086 -2.312 -1.140 1.00 40.55 H new ATOM 0 HG3 GLU A 65 -12.423 -1.488 -1.916 1.00 40.55 H new ATOM 1080 N ILE A 66 -8.049 1.213 -1.939 1.00 60.43 N ATOM 1081 CA ILE A 66 -6.970 2.042 -2.488 1.00 3.30 C ATOM 1082 C ILE A 66 -5.745 1.181 -2.835 1.00 14.11 C ATOM 1083 O ILE A 66 -5.148 0.554 -1.958 1.00 34.10 O ATOM 1084 CB ILE A 66 -6.547 3.154 -1.491 1.00 11.13 C ATOM 1085 CG1 ILE A 66 -7.754 4.040 -1.128 1.00 33.42 C ATOM 1086 CG2 ILE A 66 -5.412 3.999 -2.075 1.00 74.24 C ATOM 1087 CD1 ILE A 66 -7.441 5.127 -0.121 1.00 3.31 C ATOM 0 H ILE A 66 -7.760 0.607 -1.171 1.00 60.43 H new ATOM 0 HA ILE A 66 -7.353 2.511 -3.394 1.00 3.30 H new ATOM 0 HB ILE A 66 -6.183 2.679 -0.580 1.00 11.13 H new ATOM 0 HG12 ILE A 66 -8.139 4.502 -2.037 1.00 33.42 H new ATOM 0 HG13 ILE A 66 -8.548 3.408 -0.730 1.00 33.42 H new ATOM 0 HG21 ILE A 66 -5.130 4.773 -1.361 1.00 74.24 H new ATOM 0 HG22 ILE A 66 -4.551 3.362 -2.278 1.00 74.24 H new ATOM 0 HG23 ILE A 66 -5.745 4.465 -3.002 1.00 74.24 H new ATOM 0 HD11 ILE A 66 -8.342 5.706 0.081 1.00 3.31 H new ATOM 0 HD12 ILE A 66 -7.085 4.674 0.805 1.00 3.31 H new ATOM 0 HD13 ILE A 66 -6.670 5.784 -0.523 1.00 3.31 H new ATOM 1099 N ASP A 67 -5.378 1.145 -4.113 1.00 54.14 N ATOM 1100 CA ASP A 67 -4.220 0.363 -4.563 1.00 21.44 C ATOM 1101 C ASP A 67 -2.917 1.168 -4.431 1.00 22.15 C ATOM 1102 O ASP A 67 -2.878 2.362 -4.729 1.00 73.13 O ATOM 1103 CB ASP A 67 -4.412 -0.075 -6.018 1.00 54.22 C ATOM 1104 CG ASP A 67 -5.630 -0.960 -6.198 1.00 1.24 C ATOM 1105 OD1 ASP A 67 -5.597 -2.121 -5.744 1.00 30.41 O ATOM 1106 OD2 ASP A 67 -6.625 -0.497 -6.795 1.00 41.20 O ATOM 0 H ASP A 67 -5.862 1.646 -4.858 1.00 54.14 H new ATOM 0 HA ASP A 67 -4.144 -0.518 -3.925 1.00 21.44 H new ATOM 0 HB2 ASP A 67 -4.510 0.807 -6.650 1.00 54.22 H new ATOM 0 HB3 ASP A 67 -3.524 -0.611 -6.354 1.00 54.22 H new ATOM 1111 N PHE A 68 -1.855 0.508 -3.977 1.00 13.53 N ATOM 1112 CA PHE A 68 -0.538 1.144 -3.855 1.00 33.42 C ATOM 1113 C PHE A 68 0.470 0.544 -4.843 1.00 33.30 C ATOM 1114 O PHE A 68 0.327 -0.596 -5.288 1.00 14.43 O ATOM 1115 CB PHE A 68 0.007 1.002 -2.428 1.00 62.15 C ATOM 1116 CG PHE A 68 -0.827 1.687 -1.375 1.00 34.13 C ATOM 1117 CD1 PHE A 68 -1.393 2.932 -1.616 1.00 62.01 C ATOM 1118 CD2 PHE A 68 -1.027 1.095 -0.136 1.00 75.30 C ATOM 1119 CE1 PHE A 68 -2.142 3.565 -0.646 1.00 33.23 C ATOM 1120 CE2 PHE A 68 -1.779 1.726 0.836 1.00 61.11 C ATOM 1121 CZ PHE A 68 -2.336 2.961 0.581 1.00 31.32 C ATOM 0 H PHE A 68 -1.877 -0.469 -3.686 1.00 13.53 H new ATOM 0 HA PHE A 68 -0.671 2.200 -4.089 1.00 33.42 H new ATOM 0 HB2 PHE A 68 0.081 -0.058 -2.184 1.00 62.15 H new ATOM 0 HB3 PHE A 68 1.018 1.408 -2.395 1.00 62.15 H new ATOM 0 HD1 PHE A 68 -1.245 3.410 -2.573 1.00 62.01 H new ATOM 0 HD2 PHE A 68 -0.590 0.129 0.071 1.00 75.30 H new ATOM 0 HE1 PHE A 68 -2.577 4.533 -0.846 1.00 33.23 H new ATOM 0 HE2 PHE A 68 -1.930 1.252 1.795 1.00 61.11 H new ATOM 0 HZ PHE A 68 -2.924 3.456 1.340 1.00 31.32 H new ATOM 1131 N LYS A 69 1.491 1.326 -5.172 1.00 13.34 N ATOM 1132 CA LYS A 69 2.570 0.887 -6.064 1.00 2.43 C ATOM 1133 C LYS A 69 3.939 1.281 -5.491 1.00 62.43 C ATOM 1134 O LYS A 69 4.077 2.336 -4.870 1.00 62.30 O ATOM 1135 CB LYS A 69 2.384 1.519 -7.453 1.00 52.25 C ATOM 1136 CG LYS A 69 3.446 1.123 -8.476 1.00 42.54 C ATOM 1137 CD LYS A 69 3.259 1.868 -9.796 1.00 63.41 C ATOM 1138 CE LYS A 69 3.374 3.379 -9.611 1.00 44.13 C ATOM 1139 NZ LYS A 69 3.200 4.116 -10.889 1.00 44.21 N ATOM 0 H LYS A 69 1.599 2.281 -4.831 1.00 13.34 H new ATOM 0 HA LYS A 69 2.531 -0.199 -6.151 1.00 2.43 H new ATOM 0 HB2 LYS A 69 1.404 1.238 -7.838 1.00 52.25 H new ATOM 0 HB3 LYS A 69 2.386 2.604 -7.348 1.00 52.25 H new ATOM 0 HG2 LYS A 69 4.437 1.336 -8.074 1.00 42.54 H new ATOM 0 HG3 LYS A 69 3.398 0.049 -8.654 1.00 42.54 H new ATOM 0 HD2 LYS A 69 4.007 1.531 -10.514 1.00 63.41 H new ATOM 0 HD3 LYS A 69 2.283 1.626 -10.216 1.00 63.41 H new ATOM 0 HE2 LYS A 69 2.623 3.714 -8.895 1.00 44.13 H new ATOM 0 HE3 LYS A 69 4.349 3.618 -9.186 1.00 44.13 H new ATOM 0 HZ1 LYS A 69 3.150 5.137 -10.697 1.00 44.21 H new ATOM 0 HZ2 LYS A 69 4.007 3.920 -11.515 1.00 44.21 H new ATOM 0 HZ3 LYS A 69 2.321 3.807 -11.351 1.00 44.21 H new ATOM 1153 N TYR A 70 4.950 0.444 -5.709 1.00 41.24 N ATOM 1154 CA TYR A 70 6.304 0.744 -5.237 1.00 30.32 C ATOM 1155 C TYR A 70 7.054 1.560 -6.298 1.00 74.43 C ATOM 1156 O TYR A 70 7.203 1.125 -7.438 1.00 41.21 O ATOM 1157 CB TYR A 70 7.061 -0.553 -4.924 1.00 42.50 C ATOM 1158 CG TYR A 70 8.382 -0.341 -4.200 1.00 13.42 C ATOM 1159 CD1 TYR A 70 9.547 -0.030 -4.898 1.00 74.04 C ATOM 1160 CD2 TYR A 70 8.464 -0.455 -2.815 1.00 25.21 C ATOM 1161 CE1 TYR A 70 10.746 0.159 -4.238 1.00 1.30 C ATOM 1162 CE2 TYR A 70 9.660 -0.264 -2.151 1.00 54.21 C ATOM 1163 CZ TYR A 70 10.796 0.043 -2.867 1.00 31.21 C ATOM 1164 OH TYR A 70 11.990 0.227 -2.208 1.00 75.55 O ATOM 0 H TYR A 70 4.861 -0.442 -6.206 1.00 41.24 H new ATOM 0 HA TYR A 70 6.238 1.331 -4.321 1.00 30.32 H new ATOM 0 HB2 TYR A 70 6.424 -1.195 -4.315 1.00 42.50 H new ATOM 0 HB3 TYR A 70 7.251 -1.084 -5.857 1.00 42.50 H new ATOM 0 HD1 TYR A 70 9.512 0.065 -5.973 1.00 74.04 H new ATOM 0 HD2 TYR A 70 7.576 -0.697 -2.249 1.00 25.21 H new ATOM 0 HE1 TYR A 70 11.640 0.397 -4.795 1.00 1.30 H new ATOM 0 HE2 TYR A 70 9.704 -0.355 -1.076 1.00 54.21 H new ATOM 0 HH TYR A 70 11.853 0.111 -1.245 1.00 75.55 H new ATOM 1174 N ILE A 71 7.518 2.742 -5.915 1.00 2.24 N ATOM 1175 CA ILE A 71 8.117 3.691 -6.863 1.00 51.25 C ATOM 1176 C ILE A 71 9.584 4.019 -6.527 1.00 51.41 C ATOM 1177 O ILE A 71 9.980 4.010 -5.359 1.00 4.04 O ATOM 1178 CB ILE A 71 7.303 5.012 -6.895 1.00 34.41 C ATOM 1179 CG1 ILE A 71 7.130 5.564 -5.468 1.00 24.31 C ATOM 1180 CG2 ILE A 71 5.948 4.793 -7.564 1.00 55.21 C ATOM 1181 CD1 ILE A 71 6.360 6.866 -5.396 1.00 45.12 C ATOM 0 H ILE A 71 7.494 3.074 -4.951 1.00 2.24 H new ATOM 0 HA ILE A 71 8.094 3.207 -7.839 1.00 51.25 H new ATOM 0 HB ILE A 71 7.852 5.747 -7.483 1.00 34.41 H new ATOM 0 HG12 ILE A 71 6.617 4.818 -4.861 1.00 24.31 H new ATOM 0 HG13 ILE A 71 8.115 5.712 -5.026 1.00 24.31 H new ATOM 0 HG21 ILE A 71 5.393 5.731 -7.577 1.00 55.21 H new ATOM 0 HG22 ILE A 71 6.099 4.447 -8.587 1.00 55.21 H new ATOM 0 HG23 ILE A 71 5.384 4.045 -7.007 1.00 55.21 H new ATOM 0 HD11 ILE A 71 6.283 7.186 -4.357 1.00 45.12 H new ATOM 0 HD12 ILE A 71 6.882 7.630 -5.973 1.00 45.12 H new ATOM 0 HD13 ILE A 71 5.361 6.721 -5.806 1.00 45.12 H new ATOM 1193 N PRO A 72 10.415 4.300 -7.556 1.00 21.44 N ATOM 1194 CA PRO A 72 11.790 4.790 -7.359 1.00 61.04 C ATOM 1195 C PRO A 72 11.805 6.218 -6.780 1.00 0.33 C ATOM 1196 O PRO A 72 11.158 7.122 -7.315 1.00 34.34 O ATOM 1197 CB PRO A 72 12.400 4.767 -8.779 1.00 22.04 C ATOM 1198 CG PRO A 72 11.452 3.954 -9.606 1.00 35.15 C ATOM 1199 CD PRO A 72 10.097 4.145 -8.986 1.00 50.50 C ATOM 0 HA PRO A 72 12.347 4.181 -6.647 1.00 61.04 H new ATOM 0 HB2 PRO A 72 12.504 5.776 -9.178 1.00 22.04 H new ATOM 0 HB3 PRO A 72 13.395 4.323 -8.772 1.00 22.04 H new ATOM 0 HG2 PRO A 72 11.457 4.285 -10.644 1.00 35.15 H new ATOM 0 HG3 PRO A 72 11.737 2.902 -9.606 1.00 35.15 H new ATOM 0 HD2 PRO A 72 9.589 5.023 -9.385 1.00 50.50 H new ATOM 0 HD3 PRO A 72 9.445 3.290 -9.166 1.00 50.50 H new ATOM 1207 N LEU A 73 12.539 6.416 -5.689 1.00 34.40 N ATOM 1208 CA LEU A 73 12.567 7.711 -5.003 1.00 63.51 C ATOM 1209 C LEU A 73 13.434 8.721 -5.776 1.00 11.15 C ATOM 1210 O LEU A 73 14.660 8.720 -5.660 1.00 72.05 O ATOM 1211 CB LEU A 73 13.084 7.531 -3.559 1.00 14.52 C ATOM 1212 CG LEU A 73 12.735 8.659 -2.555 1.00 63.34 C ATOM 1213 CD1 LEU A 73 13.077 8.228 -1.129 1.00 22.21 C ATOM 1214 CD2 LEU A 73 13.458 9.966 -2.892 1.00 62.22 C ATOM 0 H LEU A 73 13.123 5.699 -5.259 1.00 34.40 H new ATOM 0 HA LEU A 73 11.553 8.108 -4.962 1.00 63.51 H new ATOM 0 HB2 LEU A 73 12.689 6.593 -3.169 1.00 14.52 H new ATOM 0 HB3 LEU A 73 14.169 7.429 -3.595 1.00 14.52 H new ATOM 0 HG LEU A 73 11.663 8.841 -2.631 1.00 63.34 H new ATOM 0 HD11 LEU A 73 12.826 9.031 -0.436 1.00 22.21 H new ATOM 0 HD12 LEU A 73 12.507 7.335 -0.872 1.00 22.21 H new ATOM 0 HD13 LEU A 73 14.143 8.010 -1.061 1.00 22.21 H new ATOM 0 HD21 LEU A 73 13.186 10.730 -2.164 1.00 62.22 H new ATOM 0 HD22 LEU A 73 14.535 9.804 -2.862 1.00 62.22 H new ATOM 0 HD23 LEU A 73 13.168 10.295 -3.890 1.00 62.22 H new ATOM 1226 N GLU A 74 12.787 9.565 -6.583 1.00 51.24 N ATOM 1227 CA GLU A 74 13.482 10.648 -7.300 1.00 62.51 C ATOM 1228 C GLU A 74 12.911 12.027 -6.916 1.00 40.24 C ATOM 1229 O GLU A 74 13.533 12.724 -6.084 1.00 35.97 O ATOM 1230 CB GLU A 74 13.391 10.445 -8.820 1.00 14.05 C ATOM 1231 CG GLU A 74 13.982 9.124 -9.306 1.00 22.23 C ATOM 1232 CD GLU A 74 14.173 9.088 -10.813 1.00 53.50 C ATOM 1233 OE1 GLU A 74 13.178 8.911 -11.547 1.00 61.43 O ATOM 1234 OE2 GLU A 74 15.320 9.248 -11.275 1.00 23.41 O ATOM 0 H GLU A 74 11.783 9.523 -6.759 1.00 51.24 H new ATOM 0 HA GLU A 74 14.531 10.616 -7.005 1.00 62.51 H new ATOM 0 HB2 GLU A 74 12.345 10.496 -9.121 1.00 14.05 H new ATOM 0 HB3 GLU A 74 13.906 11.267 -9.318 1.00 14.05 H new ATOM 0 HG2 GLU A 74 14.942 8.959 -8.818 1.00 22.23 H new ATOM 0 HG3 GLU A 74 13.327 8.306 -9.007 1.00 22.23 H new TER 1241 GLU A 74