USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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 NoAdj-H: A 33 ALY H2 : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD NoAdj-H: A 33 ALY H : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD Set 1.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.9!) USER MOD Set 2.1: A 48 CYS SG : rot 67:sc= -2.3! USER MOD Set 2.2: A 55 MET CE :methyl -153:sc= -1.36 (180deg=-1.62) USER MOD Set 3.1: A 15 ASN : amide:sc= 1.08 K(o=2.3,f=-6.3!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0) USER MOD Set 4.1: A 28 SER OG : rot -143:sc= 1.19 USER MOD Set 4.2: A 51 GLN : amide:sc= 0.214 K(o=1.4,f=-1.6!) USER MOD Set 5.1: A 25 GLN : amide:sc= -4.3! C(o=-6.7!,f=-2.5!) USER MOD Set 5.2: A 88 GLN : amide:sc= -2.36! K(o=-6.7!,f=-2.5) USER MOD Set 6.1: A 12 THR OG1 : rot 162:sc= 0.725 USER MOD Set 6.2: A 14 ASN : amide:sc= 0.196 K(o=0.92,f=2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.177 (180deg=-0.208) USER MOD Single : A 5 LYS NZ :NH3+ 171:sc= 0.422 (180deg=0.38) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0551 (180deg=-0.273) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0.541 (180deg=0.304) USER MOD Single : A 17 HIS : no HE2:sc= -0.0717 X(o=-0.072,f=-0.52) USER MOD Single : A 19 ASN : amide:sc= -0.622 K(o=-0.62,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.899 K(o=-0.9,f=-0.1) USER MOD Single : A 37 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.032) USER MOD Single : A 38 THR OG1 : rot -170:sc= -2.17! USER MOD Single : A 41 SER OG : rot -132:sc= -0.446 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 171:sc= 0 (180deg=-0.138) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -0.0121 (180deg=-0.186) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.85! K(o=-1.9!,f=-0.46) USER MOD Single : A 68 ASN : amide:sc= -3.14! K(o=-3.1!,f=-0.036) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.923 K(o=-0.92,f=-0.13) USER MOD Single : A 78 MET CE :methyl -143:sc= -1.8! (180deg=-3.28!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.11) USER MOD Single : A 90 GLN : amide:sc= -1.81! C(o=-1.8!,f=-6.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0317 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.069 35.152 -6.144 1.00 0.00 N ATOM 2 CA MET A 1 18.118 34.525 -5.316 1.00 0.00 C ATOM 3 C MET A 1 17.530 33.890 -4.059 1.00 0.00 C ATOM 4 O MET A 1 18.236 33.256 -3.278 1.00 0.00 O ATOM 5 CB MET A 1 19.207 35.544 -4.945 1.00 0.00 C ATOM 6 CG MET A 1 18.731 36.702 -4.080 1.00 0.00 C ATOM 7 SD MET A 1 20.045 37.896 -3.756 1.00 0.00 S ATOM 8 CE MET A 1 19.178 39.108 -2.766 1.00 0.00 C ATOM 0 H1 MET A 1 17.508 35.633 -6.955 1.00 0.00 H new ATOM 0 H2 MET A 1 16.414 34.420 -6.488 1.00 0.00 H new ATOM 0 H3 MET A 1 16.544 35.845 -5.573 1.00 0.00 H new ATOM 0 HA MET A 1 18.574 33.733 -5.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.008 35.023 -4.421 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.635 35.947 -5.863 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.900 37.205 -4.574 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.353 36.315 -3.134 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.863 39.909 -2.489 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.349 39.521 -3.341 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.793 38.633 -1.864 1.00 0.00 H new ATOM 18 N ALA A 2 16.229 34.051 -3.863 1.00 0.00 N ATOM 19 CA ALA A 2 15.539 33.465 -2.727 1.00 0.00 C ATOM 20 C ALA A 2 14.392 32.615 -3.243 1.00 0.00 C ATOM 21 O ALA A 2 13.398 32.376 -2.562 1.00 0.00 O ATOM 22 CB ALA A 2 15.023 34.563 -1.804 1.00 0.00 C ATOM 0 H ALA A 2 15.626 34.589 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 2 16.225 32.840 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.507 34.113 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.861 35.160 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.331 35.203 -2.351 1.00 0.00 H new ATOM 28 N ASP A 3 14.553 32.148 -4.464 1.00 0.00 N ATOM 29 CA ASP A 3 13.552 31.353 -5.153 1.00 0.00 C ATOM 30 C ASP A 3 13.660 29.874 -4.806 1.00 0.00 C ATOM 31 O ASP A 3 12.894 29.050 -5.309 1.00 0.00 O ATOM 32 CB ASP A 3 13.682 31.556 -6.663 1.00 0.00 C ATOM 33 CG ASP A 3 15.102 31.346 -7.161 1.00 0.00 C ATOM 34 OD1 ASP A 3 15.987 32.191 -6.846 1.00 0.00 O ATOM 35 OD2 ASP A 3 15.346 30.345 -7.859 1.00 0.00 O ATOM 0 H ASP A 3 15.395 32.311 -5.016 1.00 0.00 H new ATOM 0 HA ASP A 3 12.570 31.691 -4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.015 30.865 -7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.356 32.564 -6.920 1.00 0.00 H new ATOM 40 N GLU A 4 14.613 29.527 -3.959 1.00 0.00 N ATOM 41 CA GLU A 4 14.766 28.149 -3.525 1.00 0.00 C ATOM 42 C GLU A 4 14.465 28.022 -2.042 1.00 0.00 C ATOM 43 O GLU A 4 15.325 28.296 -1.203 1.00 0.00 O ATOM 44 CB GLU A 4 16.167 27.621 -3.818 1.00 0.00 C ATOM 45 CG GLU A 4 16.519 27.565 -5.292 1.00 0.00 C ATOM 46 CD GLU A 4 17.761 26.746 -5.546 1.00 0.00 C ATOM 47 OE1 GLU A 4 18.879 27.265 -5.330 1.00 0.00 O ATOM 48 OE2 GLU A 4 17.626 25.566 -5.941 1.00 0.00 O ATOM 0 H GLU A 4 15.290 30.177 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 4 14.053 27.547 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.894 28.252 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 4 16.261 26.620 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.684 27.139 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.669 28.577 -5.668 1.00 0.00 H new ATOM 55 N LYS A 5 13.229 27.595 -1.737 1.00 0.00 N ATOM 56 CA LYS A 5 12.708 27.426 -0.357 1.00 0.00 C ATOM 57 C LYS A 5 12.841 28.729 0.486 1.00 0.00 C ATOM 58 O LYS A 5 13.503 29.683 0.080 1.00 0.00 O ATOM 59 CB LYS A 5 13.397 26.225 0.355 1.00 0.00 C ATOM 60 CG LYS A 5 14.693 26.569 1.079 1.00 0.00 C ATOM 61 CD LYS A 5 15.255 25.373 1.826 1.00 0.00 C ATOM 62 CE LYS A 5 16.452 25.771 2.674 1.00 0.00 C ATOM 63 NZ LYS A 5 16.083 26.762 3.718 1.00 0.00 N ATOM 0 H LYS A 5 12.544 27.351 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 5 11.643 27.209 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.698 25.798 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.605 25.453 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.429 26.926 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.513 27.384 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.482 24.942 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.550 24.602 1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.873 24.884 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.228 26.190 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.883 26.894 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.849 27.670 3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.258 26.416 4.249 1.00 0.00 H new ATOM 77 N PRO A 6 12.162 28.809 1.642 1.00 0.00 N ATOM 78 CA PRO A 6 12.287 29.958 2.535 1.00 0.00 C ATOM 79 C PRO A 6 13.514 29.827 3.445 1.00 0.00 C ATOM 80 O PRO A 6 14.285 28.860 3.347 1.00 0.00 O ATOM 81 CB PRO A 6 11.006 29.882 3.355 1.00 0.00 C ATOM 82 CG PRO A 6 10.734 28.428 3.464 1.00 0.00 C ATOM 83 CD PRO A 6 11.192 27.820 2.160 1.00 0.00 C ATOM 0 HA PRO A 6 12.416 30.900 2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.133 30.339 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.186 30.406 2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.271 27.993 4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.673 28.241 3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.655 26.845 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.360 27.674 1.471 1.00 0.00 H new ATOM 91 N LYS A 7 13.702 30.782 4.339 1.00 0.00 N ATOM 92 CA LYS A 7 14.821 30.722 5.263 1.00 0.00 C ATOM 93 C LYS A 7 14.378 30.173 6.620 1.00 0.00 C ATOM 94 O LYS A 7 15.195 29.739 7.433 1.00 0.00 O ATOM 95 CB LYS A 7 15.562 32.082 5.373 1.00 0.00 C ATOM 96 CG LYS A 7 14.673 33.308 5.558 1.00 0.00 C ATOM 97 CD LYS A 7 14.079 33.368 6.948 1.00 0.00 C ATOM 98 CE LYS A 7 13.220 34.612 7.137 1.00 0.00 C ATOM 99 NZ LYS A 7 13.998 35.868 6.947 1.00 0.00 N ATOM 0 H LYS A 7 13.102 31.600 4.445 1.00 0.00 H new ATOM 0 HA LYS A 7 15.552 30.022 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 7 16.256 32.030 6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.160 32.223 4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.256 34.210 5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.871 33.290 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.475 32.478 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.880 33.362 7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.391 34.590 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.786 34.603 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.458 36.672 7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.906 35.793 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.174 36.017 5.933 1.00 0.00 H new ATOM 113 N GLU A 8 13.073 30.174 6.851 1.00 0.00 N ATOM 114 CA GLU A 8 12.505 29.584 8.051 1.00 0.00 C ATOM 115 C GLU A 8 11.440 28.571 7.673 1.00 0.00 C ATOM 116 O GLU A 8 10.734 28.739 6.677 1.00 0.00 O ATOM 117 CB GLU A 8 11.976 30.656 9.041 1.00 0.00 C ATOM 118 CG GLU A 8 11.163 31.801 8.426 1.00 0.00 C ATOM 119 CD GLU A 8 9.829 31.376 7.867 1.00 0.00 C ATOM 120 OE1 GLU A 8 9.020 30.800 8.622 1.00 0.00 O ATOM 121 OE2 GLU A 8 9.571 31.647 6.672 1.00 0.00 O ATOM 0 H GLU A 8 12.385 30.580 6.217 1.00 0.00 H new ATOM 0 HA GLU A 8 13.299 29.061 8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.357 30.158 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.828 31.085 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.000 32.566 9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.748 32.262 7.630 1.00 0.00 H new ATOM 128 N GLY A 9 11.335 27.507 8.437 1.00 0.00 N ATOM 129 CA GLY A 9 10.391 26.473 8.105 1.00 0.00 C ATOM 130 C GLY A 9 9.926 25.705 9.313 1.00 0.00 C ATOM 131 O GLY A 9 10.498 24.672 9.668 1.00 0.00 O ATOM 0 H GLY A 9 11.884 27.339 9.280 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.529 26.919 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.847 25.784 7.394 1.00 0.00 H new ATOM 135 N VAL A 10 8.900 26.213 9.964 1.00 0.00 N ATOM 136 CA VAL A 10 8.315 25.538 11.113 1.00 0.00 C ATOM 137 C VAL A 10 7.654 24.242 10.655 1.00 0.00 C ATOM 138 O VAL A 10 6.893 24.233 9.681 1.00 0.00 O ATOM 139 CB VAL A 10 7.262 26.430 11.809 1.00 0.00 C ATOM 140 CG1 VAL A 10 6.715 25.755 13.056 1.00 0.00 C ATOM 141 CG2 VAL A 10 7.856 27.786 12.149 1.00 0.00 C ATOM 0 H VAL A 10 8.450 27.095 9.719 1.00 0.00 H new ATOM 0 HA VAL A 10 9.111 25.325 11.827 1.00 0.00 H new ATOM 0 HB VAL A 10 6.433 26.580 11.118 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.976 26.404 13.527 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.246 24.810 12.782 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.530 25.567 13.755 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.101 28.401 12.638 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.706 27.653 12.818 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.188 28.278 11.234 1.00 0.00 H new ATOM 151 N LYS A 11 7.930 23.144 11.347 1.00 0.00 N ATOM 152 CA LYS A 11 7.389 21.855 10.956 1.00 0.00 C ATOM 153 C LYS A 11 5.876 21.828 11.104 1.00 0.00 C ATOM 154 O LYS A 11 5.340 21.792 12.209 1.00 0.00 O ATOM 155 CB LYS A 11 8.025 20.712 11.751 1.00 0.00 C ATOM 156 CG LYS A 11 7.454 19.337 11.405 1.00 0.00 C ATOM 157 CD LYS A 11 7.671 18.987 9.933 1.00 0.00 C ATOM 158 CE LYS A 11 6.921 17.717 9.539 1.00 0.00 C ATOM 159 NZ LYS A 11 5.442 17.903 9.594 1.00 0.00 N ATOM 0 H LYS A 11 8.522 23.123 12.177 1.00 0.00 H new ATOM 0 HA LYS A 11 7.635 21.708 9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.100 20.707 11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.884 20.898 12.816 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.925 18.580 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.388 19.319 11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.337 19.816 9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.736 18.854 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.212 17.422 8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.209 16.904 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.974 17.107 9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.134 17.941 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.186 18.791 9.118 1.00 0.00 H new ATOM 173 N THR A 12 5.198 21.865 9.987 1.00 0.00 N ATOM 174 CA THR A 12 3.759 21.823 9.950 1.00 0.00 C ATOM 175 C THR A 12 3.304 20.952 8.800 1.00 0.00 C ATOM 176 O THR A 12 4.110 20.200 8.225 1.00 0.00 O ATOM 177 CB THR A 12 3.182 23.239 9.789 1.00 0.00 C ATOM 178 OG1 THR A 12 4.124 24.078 9.093 1.00 0.00 O ATOM 179 CG2 THR A 12 2.860 23.835 11.139 1.00 0.00 C ATOM 0 H THR A 12 5.634 21.926 9.067 1.00 0.00 H new ATOM 0 HA THR A 12 3.397 21.404 10.889 1.00 0.00 H new ATOM 0 HB THR A 12 2.262 23.176 9.208 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.661 24.867 8.741 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.453 24.837 11.006 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.126 23.209 11.647 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.768 23.889 11.739 1.00 0.00 H new ATOM 187 N GLU A 13 2.026 21.006 8.465 1.00 0.00 N ATOM 188 CA GLU A 13 1.531 20.263 7.329 1.00 0.00 C ATOM 189 C GLU A 13 1.888 20.999 6.048 1.00 0.00 C ATOM 190 O GLU A 13 1.070 21.706 5.465 1.00 0.00 O ATOM 191 CB GLU A 13 0.027 20.069 7.408 1.00 0.00 C ATOM 192 CG GLU A 13 -0.439 19.307 8.636 1.00 0.00 C ATOM 193 CD GLU A 13 -1.947 19.206 8.713 1.00 0.00 C ATOM 194 OE1 GLU A 13 -2.586 20.163 9.217 1.00 0.00 O ATOM 195 OE2 GLU A 13 -2.501 18.176 8.280 1.00 0.00 O ATOM 0 H GLU A 13 1.322 21.552 8.961 1.00 0.00 H new ATOM 0 HA GLU A 13 1.998 19.278 7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.455 21.046 7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.307 19.538 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.010 18.305 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.064 19.802 9.532 1.00 0.00 H new ATOM 202 N ASN A 14 3.124 20.870 5.635 1.00 0.00 N ATOM 203 CA ASN A 14 3.617 21.581 4.464 1.00 0.00 C ATOM 204 C ASN A 14 3.449 20.750 3.212 1.00 0.00 C ATOM 205 O ASN A 14 3.356 21.276 2.107 1.00 0.00 O ATOM 206 CB ASN A 14 5.089 21.956 4.659 1.00 0.00 C ATOM 207 CG ASN A 14 5.331 22.734 5.946 1.00 0.00 C ATOM 208 OD1 ASN A 14 6.385 22.620 6.561 1.00 0.00 O ATOM 209 ND2 ASN A 14 4.354 23.520 6.364 1.00 0.00 N ATOM 0 H ASN A 14 3.818 20.277 6.091 1.00 0.00 H new ATOM 0 HA ASN A 14 3.030 22.492 4.345 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.693 21.049 4.669 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.423 22.552 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.464 24.057 7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.490 23.590 5.826 1.00 0.00 H new ATOM 216 N ASN A 15 3.403 19.449 3.378 1.00 0.00 N ATOM 217 CA ASN A 15 3.240 18.556 2.251 1.00 0.00 C ATOM 218 C ASN A 15 1.819 18.040 2.183 1.00 0.00 C ATOM 219 O ASN A 15 1.293 17.484 3.155 1.00 0.00 O ATOM 220 CB ASN A 15 4.232 17.391 2.328 1.00 0.00 C ATOM 221 CG ASN A 15 5.665 17.825 2.071 1.00 0.00 C ATOM 222 OD1 ASN A 15 6.133 17.813 0.934 1.00 0.00 O ATOM 223 ND2 ASN A 15 6.371 18.204 3.122 1.00 0.00 N ATOM 0 H ASN A 15 3.476 18.983 4.283 1.00 0.00 H new ATOM 0 HA ASN A 15 3.448 19.118 1.341 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.168 16.928 3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.951 16.630 1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.340 18.500 3.006 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.947 18.200 4.050 1.00 0.00 H new ATOM 230 N ASP A 16 1.193 18.211 1.036 1.00 0.00 N ATOM 231 CA ASP A 16 -0.177 17.775 0.859 1.00 0.00 C ATOM 232 C ASP A 16 -0.200 16.277 0.569 1.00 0.00 C ATOM 233 O ASP A 16 0.171 15.807 -0.516 1.00 0.00 O ATOM 234 CB ASP A 16 -0.915 18.607 -0.214 1.00 0.00 C ATOM 235 CG ASP A 16 -0.422 18.389 -1.629 1.00 0.00 C ATOM 236 OD1 ASP A 16 0.790 18.547 -1.887 1.00 0.00 O ATOM 237 OD2 ASP A 16 -1.254 18.073 -2.498 1.00 0.00 O ATOM 0 H ASP A 16 1.610 18.648 0.214 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.727 17.948 1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.978 18.368 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.816 19.664 0.033 1.00 0.00 H new ATOM 242 N HIS A 17 -0.587 15.514 1.569 1.00 0.00 N ATOM 243 CA HIS A 17 -0.563 14.070 1.483 1.00 0.00 C ATOM 244 C HIS A 17 -1.938 13.472 1.697 1.00 0.00 C ATOM 245 O HIS A 17 -2.838 14.120 2.223 1.00 0.00 O ATOM 246 CB HIS A 17 0.426 13.497 2.517 1.00 0.00 C ATOM 247 CG HIS A 17 0.036 13.752 3.951 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.436 14.866 4.655 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.728 13.028 4.808 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.060 14.816 5.878 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.770 13.712 5.995 1.00 0.00 N ATOM 0 H HIS A 17 -0.926 15.875 2.461 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.237 13.803 0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.514 12.422 2.362 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.411 13.927 2.338 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.024 15.614 4.288 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.213 12.087 4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.091 15.555 6.651 1.00 0.00 H new ATOM 260 N ILE A 18 -2.089 12.229 1.303 1.00 0.00 N ATOM 261 CA ILE A 18 -3.329 11.507 1.475 1.00 0.00 C ATOM 262 C ILE A 18 -3.046 10.121 2.041 1.00 0.00 C ATOM 263 O ILE A 18 -1.887 9.700 2.147 1.00 0.00 O ATOM 264 CB ILE A 18 -4.119 11.365 0.145 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.238 10.743 -0.944 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.665 12.713 -0.308 1.00 0.00 C ATOM 267 CD1 ILE A 18 -3.995 10.366 -2.202 1.00 0.00 C ATOM 0 H ILE A 18 -1.352 11.687 0.852 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.943 12.082 2.168 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.964 10.700 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.447 11.446 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.754 9.853 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.214 12.588 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.333 13.110 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.839 13.407 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.305 9.932 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.768 9.638 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.457 11.256 -2.629 1.00 0.00 H new ATOM 279 N ASN A 19 -4.087 9.422 2.420 1.00 0.00 N ATOM 280 CA ASN A 19 -3.953 8.079 2.955 1.00 0.00 C ATOM 281 C ASN A 19 -4.443 7.079 1.937 1.00 0.00 C ATOM 282 O ASN A 19 -5.476 7.275 1.323 1.00 0.00 O ATOM 283 CB ASN A 19 -4.755 7.939 4.261 1.00 0.00 C ATOM 284 CG ASN A 19 -4.726 6.529 4.841 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.570 5.700 4.516 1.00 0.00 O ATOM 286 ND2 ASN A 19 -3.768 6.258 5.710 1.00 0.00 N ATOM 0 H ASN A 19 -5.048 9.760 2.369 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.902 7.887 3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.358 8.636 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.790 8.227 4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.712 5.333 6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.084 6.974 5.955 1.00 0.00 H new ATOM 293 N LEU A 20 -3.694 6.032 1.725 1.00 0.00 N ATOM 294 CA LEU A 20 -4.098 4.994 0.800 1.00 0.00 C ATOM 295 C LEU A 20 -4.091 3.670 1.501 1.00 0.00 C ATOM 296 O LEU A 20 -3.208 3.387 2.303 1.00 0.00 O ATOM 297 CB LEU A 20 -3.187 4.933 -0.443 1.00 0.00 C ATOM 298 CG LEU A 20 -3.280 6.112 -1.426 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.728 6.464 -1.719 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.523 7.313 -0.904 1.00 0.00 C ATOM 0 H LEU A 20 -2.796 5.869 2.180 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.104 5.231 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.154 4.853 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.416 4.017 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.815 5.805 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.765 7.301 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.230 5.602 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.230 6.742 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.605 8.133 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.945 7.621 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.473 7.051 -0.770 1.00 0.00 H new ATOM 312 N LYS A 21 -5.079 2.864 1.232 1.00 0.00 N ATOM 313 CA LYS A 21 -5.166 1.564 1.834 1.00 0.00 C ATOM 314 C LYS A 21 -5.202 0.516 0.755 1.00 0.00 C ATOM 315 O LYS A 21 -5.793 0.716 -0.288 1.00 0.00 O ATOM 316 CB LYS A 21 -6.409 1.463 2.717 1.00 0.00 C ATOM 317 CG LYS A 21 -6.462 2.519 3.813 1.00 0.00 C ATOM 318 CD LYS A 21 -7.629 2.287 4.760 1.00 0.00 C ATOM 319 CE LYS A 21 -8.970 2.465 4.069 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.104 2.176 4.982 1.00 0.00 N ATOM 0 H LYS A 21 -5.842 3.088 0.593 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.291 1.403 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.297 1.554 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.441 0.474 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.529 2.507 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.550 3.508 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.565 1.280 5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.559 2.980 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.054 3.486 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.023 1.805 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.002 2.309 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.038 1.194 5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.068 2.823 5.796 1.00 0.00 H new ATOM 334 N VAL A 22 -4.577 -0.601 0.998 1.00 0.00 N ATOM 335 CA VAL A 22 -4.537 -1.669 0.018 1.00 0.00 C ATOM 336 C VAL A 22 -5.134 -2.930 0.614 1.00 0.00 C ATOM 337 O VAL A 22 -4.744 -3.351 1.703 1.00 0.00 O ATOM 338 CB VAL A 22 -3.094 -1.958 -0.470 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.068 -3.071 -1.479 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.422 -0.721 -1.018 1.00 0.00 C ATOM 0 H VAL A 22 -4.084 -0.804 1.868 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.120 -1.347 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.526 -2.279 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.041 -3.247 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.469 -3.979 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.675 -2.795 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.414 -0.971 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.996 -0.339 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.371 0.040 -0.240 1.00 0.00 H new ATOM 350 N ALA A 23 -6.072 -3.534 -0.093 1.00 0.00 N ATOM 351 CA ALA A 23 -6.761 -4.712 0.400 1.00 0.00 C ATOM 352 C ALA A 23 -6.330 -5.959 -0.363 1.00 0.00 C ATOM 353 O ALA A 23 -6.232 -5.958 -1.604 1.00 0.00 O ATOM 354 CB ALA A 23 -8.267 -4.526 0.296 1.00 0.00 C ATOM 0 H ALA A 23 -6.375 -3.225 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.493 -4.846 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.770 -5.418 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.569 -3.663 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.542 -4.363 -0.746 1.00 0.00 H new ATOM 360 N GLY A 24 -6.071 -7.018 0.372 1.00 0.00 N ATOM 361 CA GLY A 24 -5.675 -8.257 -0.218 1.00 0.00 C ATOM 362 C GLY A 24 -6.844 -9.193 -0.399 1.00 0.00 C ATOM 363 O GLY A 24 -7.939 -8.959 0.127 1.00 0.00 O ATOM 0 H GLY A 24 -6.131 -7.035 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.210 -8.066 -1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.922 -8.734 0.410 1.00 0.00 H new ATOM 367 N GLN A 25 -6.613 -10.278 -1.105 1.00 0.00 N ATOM 368 CA GLN A 25 -7.657 -11.236 -1.426 1.00 0.00 C ATOM 369 C GLN A 25 -8.093 -11.981 -0.183 1.00 0.00 C ATOM 370 O GLN A 25 -9.220 -12.458 -0.090 1.00 0.00 O ATOM 371 CB GLN A 25 -7.160 -12.243 -2.461 1.00 0.00 C ATOM 372 CG GLN A 25 -6.357 -11.642 -3.605 1.00 0.00 C ATOM 373 CD GLN A 25 -4.874 -11.505 -3.284 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.110 -12.446 -3.440 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.452 -10.315 -2.903 1.00 0.00 N ATOM 0 H GLN A 25 -5.695 -10.525 -1.475 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.504 -10.685 -1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.544 -12.987 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.019 -12.769 -2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.475 -12.265 -4.491 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.762 -10.660 -3.850 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.118 -9.552 -2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.459 -10.158 -2.729 1.00 0.00 H new ATOM 384 N ASP A 26 -7.197 -12.060 0.776 1.00 0.00 N ATOM 385 CA ASP A 26 -7.444 -12.777 2.017 1.00 0.00 C ATOM 386 C ASP A 26 -8.176 -11.897 3.025 1.00 0.00 C ATOM 387 O ASP A 26 -8.517 -12.340 4.123 1.00 0.00 O ATOM 388 CB ASP A 26 -6.124 -13.247 2.616 1.00 0.00 C ATOM 389 CG ASP A 26 -5.372 -12.128 3.305 1.00 0.00 C ATOM 390 OD1 ASP A 26 -5.166 -11.071 2.677 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.991 -12.306 4.483 1.00 0.00 O ATOM 0 H ASP A 26 -6.274 -11.630 0.722 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.073 -13.638 1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.317 -14.046 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.500 -13.669 1.828 1.00 0.00 H new ATOM 396 N GLY A 27 -8.415 -10.648 2.663 1.00 0.00 N ATOM 397 CA GLY A 27 -9.115 -9.754 3.556 1.00 0.00 C ATOM 398 C GLY A 27 -8.191 -8.900 4.405 1.00 0.00 C ATOM 399 O GLY A 27 -8.647 -8.203 5.314 1.00 0.00 O ATOM 0 H GLY A 27 -8.138 -10.239 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.763 -9.102 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.760 -10.339 4.211 1.00 0.00 H new ATOM 403 N SER A 28 -6.895 -8.947 4.135 1.00 0.00 N ATOM 404 CA SER A 28 -5.942 -8.129 4.869 1.00 0.00 C ATOM 405 C SER A 28 -5.864 -6.750 4.218 1.00 0.00 C ATOM 406 O SER A 28 -6.173 -6.601 3.041 1.00 0.00 O ATOM 407 CB SER A 28 -4.560 -8.802 4.874 1.00 0.00 C ATOM 408 OG SER A 28 -3.612 -8.055 5.627 1.00 0.00 O ATOM 0 H SER A 28 -6.481 -9.540 3.416 1.00 0.00 H new ATOM 0 HA SER A 28 -6.271 -8.021 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.646 -9.806 5.291 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.205 -8.912 3.849 1.00 0.00 H new ATOM 0 HG SER A 28 -2.736 -8.102 5.189 1.00 0.00 H new ATOM 414 N VAL A 29 -5.476 -5.739 4.971 1.00 0.00 N ATOM 415 CA VAL A 29 -5.381 -4.395 4.435 1.00 0.00 C ATOM 416 C VAL A 29 -4.307 -3.591 5.161 1.00 0.00 C ATOM 417 O VAL A 29 -4.107 -3.738 6.371 1.00 0.00 O ATOM 418 CB VAL A 29 -6.755 -3.653 4.481 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.331 -3.661 5.873 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.643 -2.225 3.957 1.00 0.00 C ATOM 0 H VAL A 29 -5.222 -5.823 5.955 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.093 -4.485 3.388 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.435 -4.196 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.287 -3.138 5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.480 -4.690 6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.643 -3.161 6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.619 -1.742 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.932 -1.668 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.298 -2.243 2.923 1.00 0.00 H new ATOM 430 N VAL A 30 -3.600 -2.758 4.424 1.00 0.00 N ATOM 431 CA VAL A 30 -2.573 -1.919 5.002 1.00 0.00 C ATOM 432 C VAL A 30 -2.863 -0.471 4.685 1.00 0.00 C ATOM 433 O VAL A 30 -3.322 -0.149 3.591 1.00 0.00 O ATOM 434 CB VAL A 30 -1.170 -2.260 4.479 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.118 -1.526 5.293 1.00 0.00 C ATOM 436 CG2 VAL A 30 -0.926 -3.760 4.498 1.00 0.00 C ATOM 0 H VAL A 30 -3.720 -2.645 3.417 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.586 -2.096 6.077 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.099 -1.931 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.874 -1.774 4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.279 -0.451 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.193 -1.825 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.075 -3.971 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.016 -4.130 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.662 -4.256 3.866 1.00 0.00 H new ATOM 446 N GLN A 31 -2.632 0.404 5.643 1.00 0.00 N ATOM 447 CA GLN A 31 -2.856 1.816 5.442 1.00 0.00 C ATOM 448 C GLN A 31 -1.523 2.551 5.300 1.00 0.00 C ATOM 449 O GLN A 31 -0.565 2.273 6.023 1.00 0.00 O ATOM 450 CB GLN A 31 -3.678 2.416 6.597 1.00 0.00 C ATOM 451 CG GLN A 31 -5.013 1.715 6.887 1.00 0.00 C ATOM 452 CD GLN A 31 -4.897 0.524 7.835 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.942 0.680 9.054 1.00 0.00 O ATOM 454 NE2 GLN A 31 -4.792 -0.668 7.281 1.00 0.00 N ATOM 0 H GLN A 31 -2.288 0.158 6.571 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.426 1.940 4.521 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.071 2.394 7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.878 3.464 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.707 2.439 7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.445 1.376 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.758 -0.757 6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.745 -1.501 7.868 1.00 0.00 H new ATOM 463 N PHE A 32 -1.464 3.491 4.369 1.00 0.00 N ATOM 464 CA PHE A 32 -0.235 4.233 4.097 1.00 0.00 C ATOM 465 C PHE A 32 -0.508 5.727 4.026 1.00 0.00 C ATOM 466 O PHE A 32 -1.610 6.155 3.687 1.00 0.00 O ATOM 467 CB PHE A 32 0.384 3.792 2.762 1.00 0.00 C ATOM 468 CG PHE A 32 0.470 2.306 2.573 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.618 1.599 2.090 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.634 1.618 2.869 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.552 0.242 1.907 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.707 0.253 2.686 1.00 0.00 C ATOM 473 CZ PHE A 32 0.610 -0.435 2.204 1.00 0.00 C ATOM 0 H PHE A 32 -2.255 3.761 3.785 1.00 0.00 H new ATOM 0 HA PHE A 32 0.456 4.023 4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.203 4.215 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.386 4.213 2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.532 2.124 1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.492 2.154 3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.410 -0.295 1.531 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.619 -0.277 2.919 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.664 -1.504 2.060 1.00 0.00 H new HETATM 483 OH ALY A 33 -4.120 12.008 8.108 1.00 0.00 O HETATM 484 CH ALY A 33 -4.593 11.365 7.168 1.00 0.00 C HETATM 485 CH3 ALY A 33 -6.038 11.469 6.785 1.00 0.00 C HETATM 486 NZ ALY A 33 -3.854 10.577 6.417 1.00 0.00 N HETATM 487 CE ALY A 33 -2.856 9.657 6.940 1.00 0.00 C HETATM 488 CD ALY A 33 -1.728 9.454 5.955 1.00 0.00 C HETATM 489 CG ALY A 33 -0.662 8.531 6.503 1.00 0.00 C HETATM 490 CB ALY A 33 0.578 8.579 5.642 1.00 0.00 C HETATM 491 CA ALY A 33 0.404 7.957 4.260 1.00 0.00 C HETATM 492 N ALY A 33 0.499 6.513 4.334 1.00 0.00 N HETATM 493 C ALY A 33 1.458 8.495 3.317 1.00 0.00 C HETATM 494 O ALY A 33 2.638 8.568 3.660 1.00 0.00 O HETATM 0 HH33 ALY A 33 -6.660 11.164 7.626 1.00 0.00 H new HETATM 0 HH32 ALY A 33 -6.270 12.500 6.517 1.00 0.00 H new HETATM 0 HH31 ALY A 33 -6.236 10.819 5.933 1.00 0.00 H new HETATM 0 HZ ALY A 33 -3.989 10.613 5.407 1.00 0.00 H new HETATM 0 HG3 ALY A 33 -1.043 7.511 6.544 1.00 0.00 H new HETATM 0 HG2 ALY A 33 -0.413 8.820 7.524 1.00 0.00 H new HETATM 0 HE3 ALY A 33 -3.324 8.698 7.164 1.00 0.00 H new HETATM 0 HE2 ALY A 33 -2.458 10.044 7.878 1.00 0.00 H new HETATM 0 HD3 ALY A 33 -1.283 10.418 5.709 1.00 0.00 H new HETATM 0 HD2 ALY A 33 -2.125 9.040 5.028 1.00 0.00 H new HETATM 0 HCA ALY A 33 -0.584 8.220 3.883 1.00 0.00 H new HETATM 0 HB3 ALY A 33 1.387 8.064 6.161 1.00 0.00 H new HETATM 0 HB2 ALY A 33 0.885 9.618 5.524 1.00 0.00 H new ATOM 509 N ILE A 34 1.050 8.863 2.117 1.00 0.00 N ATOM 510 CA ILE A 34 1.994 9.365 1.133 1.00 0.00 C ATOM 511 C ILE A 34 1.472 10.627 0.484 1.00 0.00 C ATOM 512 O ILE A 34 0.296 10.978 0.623 1.00 0.00 O ATOM 513 CB ILE A 34 2.310 8.327 0.017 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.112 8.154 -0.922 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.705 6.985 0.625 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.435 7.381 -2.183 1.00 0.00 C ATOM 0 H ILE A 34 0.081 8.825 1.801 1.00 0.00 H new ATOM 0 HA ILE A 34 2.915 9.572 1.678 1.00 0.00 H new ATOM 0 HB ILE A 34 3.151 8.704 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.313 7.641 -0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.732 9.138 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.922 6.274 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.591 7.114 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.885 6.607 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.539 7.298 -2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.212 7.903 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.787 6.384 -1.918 1.00 0.00 H new ATOM 528 N LYS A 35 2.335 11.305 -0.227 1.00 0.00 N ATOM 529 CA LYS A 35 1.969 12.513 -0.914 1.00 0.00 C ATOM 530 C LYS A 35 1.299 12.184 -2.235 1.00 0.00 C ATOM 531 O LYS A 35 1.619 11.185 -2.873 1.00 0.00 O ATOM 532 CB LYS A 35 3.201 13.371 -1.138 1.00 0.00 C ATOM 533 CG LYS A 35 3.800 13.926 0.144 1.00 0.00 C ATOM 534 CD LYS A 35 5.169 14.541 -0.094 1.00 0.00 C ATOM 535 CE LYS A 35 5.152 15.492 -1.275 1.00 0.00 C ATOM 536 NZ LYS A 35 6.380 16.314 -1.335 1.00 0.00 N ATOM 0 H LYS A 35 3.311 11.034 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 35 1.261 13.071 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.956 12.779 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.941 14.200 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.131 14.678 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.883 13.128 0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.490 15.075 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.898 13.751 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.050 14.923 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.281 16.144 -1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.454 16.759 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.340 17.052 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.211 15.710 -1.172 1.00 0.00 H new ATOM 550 N ARG A 36 0.377 13.028 -2.655 1.00 0.00 N ATOM 551 CA ARG A 36 -0.353 12.814 -3.905 1.00 0.00 C ATOM 552 C ARG A 36 0.554 12.987 -5.114 1.00 0.00 C ATOM 553 O ARG A 36 0.233 12.539 -6.210 1.00 0.00 O ATOM 554 CB ARG A 36 -1.564 13.756 -3.995 1.00 0.00 C ATOM 555 CG ARG A 36 -1.227 15.221 -3.787 1.00 0.00 C ATOM 556 CD ARG A 36 -0.719 15.902 -5.052 1.00 0.00 C ATOM 557 NE ARG A 36 -0.225 17.236 -4.745 1.00 0.00 N ATOM 558 CZ ARG A 36 0.455 18.019 -5.572 1.00 0.00 C ATOM 559 NH1 ARG A 36 0.683 17.640 -6.829 1.00 0.00 N ATOM 560 NH2 ARG A 36 0.904 19.190 -5.137 1.00 0.00 N ATOM 0 H ARG A 36 0.109 13.874 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.715 11.786 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.031 13.637 -4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.301 13.455 -3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.114 15.745 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.471 15.307 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.077 15.306 -5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.522 15.964 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.419 17.601 -3.812 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.334 16.741 -7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.207 18.248 -7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.725 19.480 -4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.428 19.800 -5.764 1.00 0.00 H new ATOM 574 N HIS A 37 1.704 13.617 -4.915 1.00 0.00 N ATOM 575 CA HIS A 37 2.633 13.847 -6.004 1.00 0.00 C ATOM 576 C HIS A 37 3.743 12.813 -5.918 1.00 0.00 C ATOM 577 O HIS A 37 4.640 12.739 -6.759 1.00 0.00 O ATOM 578 CB HIS A 37 3.216 15.264 -5.915 1.00 0.00 C ATOM 579 CG HIS A 37 4.011 15.686 -7.125 1.00 0.00 C ATOM 580 ND1 HIS A 37 5.280 16.216 -7.049 1.00 0.00 N ATOM 581 CD2 HIS A 37 3.701 15.664 -8.446 1.00 0.00 C ATOM 582 CE1 HIS A 37 5.711 16.500 -8.262 1.00 0.00 C ATOM 583 NE2 HIS A 37 4.775 16.176 -9.125 1.00 0.00 N ATOM 0 H HIS A 37 2.012 13.976 -4.011 1.00 0.00 H new ATOM 0 HA HIS A 37 2.115 13.754 -6.959 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.400 15.971 -5.766 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.856 15.326 -5.035 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.779 15.309 -8.881 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.672 16.927 -8.505 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.838 16.288 -10.137 1.00 0.00 H new ATOM 592 N THR A 38 3.664 12.021 -4.882 1.00 0.00 N ATOM 593 CA THR A 38 4.613 10.987 -4.596 1.00 0.00 C ATOM 594 C THR A 38 4.177 9.667 -5.242 1.00 0.00 C ATOM 595 O THR A 38 3.000 9.324 -5.211 1.00 0.00 O ATOM 596 CB THR A 38 4.716 10.834 -3.062 1.00 0.00 C ATOM 597 OG1 THR A 38 5.552 11.866 -2.522 1.00 0.00 O ATOM 598 CG2 THR A 38 5.224 9.471 -2.644 1.00 0.00 C ATOM 0 H THR A 38 2.913 12.082 -4.195 1.00 0.00 H new ATOM 0 HA THR A 38 5.587 11.251 -5.007 1.00 0.00 H new ATOM 0 HB THR A 38 3.708 10.931 -2.660 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.741 11.674 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.276 9.420 -1.556 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.545 8.701 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.217 9.309 -3.063 1.00 0.00 H new ATOM 606 N PRO A 39 5.122 8.923 -5.853 1.00 0.00 N ATOM 607 CA PRO A 39 4.816 7.652 -6.508 1.00 0.00 C ATOM 608 C PRO A 39 4.264 6.619 -5.526 1.00 0.00 C ATOM 609 O PRO A 39 4.846 6.367 -4.465 1.00 0.00 O ATOM 610 CB PRO A 39 6.168 7.192 -7.076 1.00 0.00 C ATOM 611 CG PRO A 39 7.191 7.954 -6.305 1.00 0.00 C ATOM 612 CD PRO A 39 6.552 9.260 -5.941 1.00 0.00 C ATOM 0 HA PRO A 39 4.046 7.764 -7.271 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.302 6.117 -6.954 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.240 7.403 -8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.494 7.406 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.089 8.113 -6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.934 9.645 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.740 10.024 -6.695 1.00 0.00 H new ATOM 620 N LEU A 40 3.140 6.024 -5.882 1.00 0.00 N ATOM 621 CA LEU A 40 2.483 5.034 -5.034 1.00 0.00 C ATOM 622 C LEU A 40 3.279 3.727 -4.941 1.00 0.00 C ATOM 623 O LEU A 40 3.061 2.917 -4.038 1.00 0.00 O ATOM 624 CB LEU A 40 1.038 4.778 -5.500 1.00 0.00 C ATOM 625 CG LEU A 40 0.775 4.845 -7.018 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.600 3.815 -7.773 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.704 4.651 -7.304 1.00 0.00 C ATOM 0 H LEU A 40 2.656 6.209 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 40 2.445 5.451 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.737 3.792 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.389 5.504 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 40 1.078 5.832 -7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.389 3.891 -8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.660 3.999 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.343 2.815 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.876 4.701 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.022 3.678 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.276 5.435 -6.808 1.00 0.00 H new ATOM 639 N SER A 41 4.200 3.525 -5.881 1.00 0.00 N ATOM 640 CA SER A 41 5.054 2.339 -5.917 1.00 0.00 C ATOM 641 C SER A 41 5.732 2.092 -4.572 1.00 0.00 C ATOM 642 O SER A 41 5.965 0.944 -4.174 1.00 0.00 O ATOM 643 CB SER A 41 6.104 2.509 -7.002 1.00 0.00 C ATOM 644 OG SER A 41 6.679 3.804 -6.947 1.00 0.00 O ATOM 0 H SER A 41 4.376 4.181 -6.642 1.00 0.00 H new ATOM 0 HA SER A 41 4.428 1.474 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.882 1.755 -6.883 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.652 2.348 -7.981 1.00 0.00 H new ATOM 0 HG SER A 41 6.693 4.194 -7.846 1.00 0.00 H new ATOM 650 N LYS A 42 6.029 3.171 -3.867 1.00 0.00 N ATOM 651 CA LYS A 42 6.676 3.101 -2.570 1.00 0.00 C ATOM 652 C LYS A 42 5.818 2.301 -1.587 1.00 0.00 C ATOM 653 O LYS A 42 6.306 1.393 -0.912 1.00 0.00 O ATOM 654 CB LYS A 42 6.938 4.516 -2.035 1.00 0.00 C ATOM 655 CG LYS A 42 7.683 5.413 -3.024 1.00 0.00 C ATOM 656 CD LYS A 42 7.902 6.817 -2.469 1.00 0.00 C ATOM 657 CE LYS A 42 8.940 6.824 -1.362 1.00 0.00 C ATOM 658 NZ LYS A 42 9.149 8.186 -0.801 1.00 0.00 N ATOM 0 H LYS A 42 5.827 4.121 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 42 7.632 2.589 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.986 4.982 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.516 4.446 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.647 4.964 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.118 5.475 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.221 7.481 -3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.959 7.209 -2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.626 6.149 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.885 6.443 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.865 8.145 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.474 8.826 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.254 8.541 -0.408 1.00 0.00 H new ATOM 672 N LEU A 43 4.527 2.624 -1.523 1.00 0.00 N ATOM 673 CA LEU A 43 3.611 1.916 -0.636 1.00 0.00 C ATOM 674 C LEU A 43 3.354 0.509 -1.164 1.00 0.00 C ATOM 675 O LEU A 43 3.176 -0.436 -0.399 1.00 0.00 O ATOM 676 CB LEU A 43 2.282 2.697 -0.457 1.00 0.00 C ATOM 677 CG LEU A 43 1.266 2.645 -1.614 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.387 1.400 -1.523 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.407 3.894 -1.626 1.00 0.00 C ATOM 0 H LEU A 43 4.096 3.367 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 43 4.076 1.839 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.790 2.322 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.528 3.743 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 43 1.827 2.596 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.319 1.392 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.013 0.509 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.161 1.409 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.304 3.839 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.135 3.972 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.042 4.771 -1.753 1.00 0.00 H new ATOM 691 N MET A 44 3.342 0.372 -2.487 1.00 0.00 N ATOM 692 CA MET A 44 3.115 -0.913 -3.134 1.00 0.00 C ATOM 693 C MET A 44 4.187 -1.921 -2.740 1.00 0.00 C ATOM 694 O MET A 44 3.887 -3.054 -2.349 1.00 0.00 O ATOM 695 CB MET A 44 3.078 -0.730 -4.649 1.00 0.00 C ATOM 696 CG MET A 44 1.822 -0.030 -5.140 1.00 0.00 C ATOM 697 SD MET A 44 2.057 0.831 -6.703 1.00 0.00 S ATOM 698 CE MET A 44 2.754 -0.445 -7.737 1.00 0.00 C ATOM 0 H MET A 44 3.489 1.145 -3.136 1.00 0.00 H new ATOM 0 HA MET A 44 2.154 -1.305 -2.801 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.951 -0.156 -4.960 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.152 -1.706 -5.128 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.025 -0.765 -5.253 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.493 0.684 -4.385 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.798 -0.094 -8.768 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.760 -0.684 -7.392 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.131 -1.338 -7.684 1.00 0.00 H new ATOM 708 N LYS A 45 5.442 -1.516 -2.839 1.00 0.00 N ATOM 709 CA LYS A 45 6.547 -2.372 -2.451 1.00 0.00 C ATOM 710 C LYS A 45 6.544 -2.609 -0.948 1.00 0.00 C ATOM 711 O LYS A 45 6.847 -3.705 -0.484 1.00 0.00 O ATOM 712 CB LYS A 45 7.860 -1.757 -2.900 1.00 0.00 C ATOM 713 CG LYS A 45 8.047 -1.778 -4.406 1.00 0.00 C ATOM 714 CD LYS A 45 8.542 -3.130 -4.887 1.00 0.00 C ATOM 715 CE LYS A 45 8.676 -3.165 -6.401 1.00 0.00 C ATOM 716 NZ LYS A 45 9.627 -2.147 -6.903 1.00 0.00 N ATOM 0 H LYS A 45 5.720 -0.598 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 45 6.430 -3.339 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.910 -0.726 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.684 -2.294 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.102 -1.541 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.758 -1.005 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.507 -3.350 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.851 -3.908 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.009 -4.155 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.698 -3.001 -6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.829 -2.326 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.210 -1.200 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.511 -2.199 -6.358 1.00 0.00 H new ATOM 730 N ALA A 46 6.160 -1.587 -0.186 1.00 0.00 N ATOM 731 CA ALA A 46 6.100 -1.691 1.264 1.00 0.00 C ATOM 732 C ALA A 46 5.062 -2.727 1.674 1.00 0.00 C ATOM 733 O ALA A 46 5.267 -3.500 2.609 1.00 0.00 O ATOM 734 CB ALA A 46 5.779 -0.340 1.885 1.00 0.00 C ATOM 0 H ALA A 46 5.886 -0.676 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 46 7.076 -2.011 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.738 -0.439 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.553 0.378 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.815 0.010 1.516 1.00 0.00 H new ATOM 740 N TYR A 47 3.940 -2.746 0.955 1.00 0.00 N ATOM 741 CA TYR A 47 2.877 -3.707 1.190 1.00 0.00 C ATOM 742 C TYR A 47 3.411 -5.125 1.057 1.00 0.00 C ATOM 743 O TYR A 47 3.297 -5.931 1.970 1.00 0.00 O ATOM 744 CB TYR A 47 1.734 -3.480 0.187 1.00 0.00 C ATOM 745 CG TYR A 47 0.623 -4.518 0.242 1.00 0.00 C ATOM 746 CD1 TYR A 47 0.677 -5.664 -0.543 1.00 0.00 C ATOM 747 CD2 TYR A 47 -0.480 -4.344 1.064 1.00 0.00 C ATOM 748 CE1 TYR A 47 -0.333 -6.605 -0.510 1.00 0.00 C ATOM 749 CE2 TYR A 47 -1.498 -5.281 1.104 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.419 -6.408 0.313 1.00 0.00 C ATOM 751 OH TYR A 47 -2.429 -7.343 0.349 1.00 0.00 O ATOM 0 H TYR A 47 3.748 -2.094 0.195 1.00 0.00 H new ATOM 0 HA TYR A 47 2.496 -3.569 2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.302 -2.496 0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.150 -3.467 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.526 -5.822 -1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.546 -3.462 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.271 -7.490 -1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.349 -5.130 1.751 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.120 -7.054 0.981 1.00 0.00 H new ATOM 761 N CYS A 48 4.011 -5.416 -0.083 1.00 0.00 N ATOM 762 CA CYS A 48 4.547 -6.741 -0.361 1.00 0.00 C ATOM 763 C CYS A 48 5.615 -7.128 0.661 1.00 0.00 C ATOM 764 O CYS A 48 5.646 -8.262 1.141 1.00 0.00 O ATOM 765 CB CYS A 48 5.122 -6.792 -1.779 1.00 0.00 C ATOM 766 SG CYS A 48 4.001 -6.174 -3.047 1.00 0.00 S ATOM 0 H CYS A 48 4.141 -4.746 -0.841 1.00 0.00 H new ATOM 0 HA CYS A 48 3.732 -7.460 -0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.043 -6.210 -1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.389 -7.822 -2.015 1.00 0.00 H new ATOM 0 HG CYS A 48 3.826 -4.896 -2.886 1.00 0.00 H new ATOM 772 N GLU A 49 6.473 -6.179 1.019 1.00 0.00 N ATOM 773 CA GLU A 49 7.542 -6.437 1.973 1.00 0.00 C ATOM 774 C GLU A 49 7.005 -6.751 3.372 1.00 0.00 C ATOM 775 O GLU A 49 7.519 -7.631 4.057 1.00 0.00 O ATOM 776 CB GLU A 49 8.526 -5.264 2.031 1.00 0.00 C ATOM 777 CG GLU A 49 9.363 -5.100 0.772 1.00 0.00 C ATOM 778 CD GLU A 49 10.485 -4.101 0.945 1.00 0.00 C ATOM 779 OE1 GLU A 49 10.242 -2.888 0.795 1.00 0.00 O ATOM 780 OE2 GLU A 49 11.625 -4.530 1.232 1.00 0.00 O ATOM 0 H GLU A 49 6.448 -5.224 0.662 1.00 0.00 H new ATOM 0 HA GLU A 49 8.072 -7.321 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.969 -4.344 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.192 -5.403 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.782 -6.066 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.720 -4.780 -0.048 1.00 0.00 H new ATOM 787 N ARG A 50 5.966 -6.043 3.802 1.00 0.00 N ATOM 788 CA ARG A 50 5.409 -6.264 5.138 1.00 0.00 C ATOM 789 C ARG A 50 4.451 -7.457 5.158 1.00 0.00 C ATOM 790 O ARG A 50 4.374 -8.191 6.143 1.00 0.00 O ATOM 791 CB ARG A 50 4.698 -5.003 5.661 1.00 0.00 C ATOM 792 CG ARG A 50 3.481 -4.598 4.845 1.00 0.00 C ATOM 793 CD ARG A 50 2.810 -3.356 5.396 1.00 0.00 C ATOM 794 NE ARG A 50 2.243 -3.572 6.734 1.00 0.00 N ATOM 795 CZ ARG A 50 2.203 -2.651 7.707 1.00 0.00 C ATOM 796 NH1 ARG A 50 2.791 -1.467 7.545 1.00 0.00 N ATOM 797 NH2 ARG A 50 1.585 -2.927 8.848 1.00 0.00 N ATOM 0 H ARG A 50 5.496 -5.321 3.256 1.00 0.00 H new ATOM 0 HA ARG A 50 6.246 -6.489 5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.391 -5.173 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.408 -4.176 5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.781 -4.419 3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.765 -5.420 4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.535 -2.543 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.019 -3.042 4.715 1.00 0.00 H new ATOM 0 HE ARG A 50 1.851 -4.491 6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.278 -1.254 6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.755 -0.773 8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.143 -3.837 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.552 -2.230 9.592 1.00 0.00 H new ATOM 811 N GLN A 51 3.702 -7.645 4.075 1.00 0.00 N ATOM 812 CA GLN A 51 2.739 -8.740 3.986 1.00 0.00 C ATOM 813 C GLN A 51 3.399 -10.058 3.699 1.00 0.00 C ATOM 814 O GLN A 51 2.849 -11.118 3.994 1.00 0.00 O ATOM 815 CB GLN A 51 1.706 -8.449 2.911 1.00 0.00 C ATOM 816 CG GLN A 51 0.808 -7.298 3.243 1.00 0.00 C ATOM 817 CD GLN A 51 -0.053 -7.578 4.461 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.179 -8.056 4.347 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.484 -7.317 5.632 1.00 0.00 N ATOM 0 H GLN A 51 3.743 -7.053 3.246 1.00 0.00 H new ATOM 0 HA GLN A 51 2.253 -8.814 4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.219 -8.241 1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.098 -9.340 2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.411 -6.408 3.423 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.167 -7.081 2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.422 -6.920 5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.037 -7.511 6.487 1.00 0.00 H new ATOM 828 N GLY A 52 4.574 -10.010 3.139 1.00 0.00 N ATOM 829 CA GLY A 52 5.241 -11.221 2.787 1.00 0.00 C ATOM 830 C GLY A 52 4.787 -11.721 1.435 1.00 0.00 C ATOM 831 O GLY A 52 4.562 -12.911 1.240 1.00 0.00 O ATOM 0 H GLY A 52 5.082 -9.153 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.318 -11.055 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.045 -11.981 3.544 1.00 0.00 H new ATOM 835 N LEU A 53 4.661 -10.803 0.489 1.00 0.00 N ATOM 836 CA LEU A 53 4.260 -11.139 -0.868 1.00 0.00 C ATOM 837 C LEU A 53 5.316 -10.665 -1.843 1.00 0.00 C ATOM 838 O LEU A 53 6.179 -9.861 -1.491 1.00 0.00 O ATOM 839 CB LEU A 53 2.917 -10.503 -1.233 1.00 0.00 C ATOM 840 CG LEU A 53 1.658 -11.230 -0.762 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.650 -12.678 -1.228 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.494 -11.142 0.736 1.00 0.00 C ATOM 0 H LEU A 53 4.833 -9.809 0.639 1.00 0.00 H new ATOM 0 HA LEU A 53 4.152 -12.222 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.898 -9.492 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.869 -10.410 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 53 0.804 -10.727 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.742 -13.168 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.682 -12.710 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.520 -13.195 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.588 -11.670 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.356 -11.596 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.419 -10.096 1.033 1.00 0.00 H new ATOM 854 N SER A 54 5.272 -11.161 -3.059 1.00 0.00 N ATOM 855 CA SER A 54 6.205 -10.744 -4.073 1.00 0.00 C ATOM 856 C SER A 54 5.472 -9.992 -5.171 1.00 0.00 C ATOM 857 O SER A 54 4.302 -10.256 -5.430 1.00 0.00 O ATOM 858 CB SER A 54 6.915 -11.961 -4.651 1.00 0.00 C ATOM 859 OG SER A 54 7.589 -12.688 -3.640 1.00 0.00 O ATOM 0 H SER A 54 4.594 -11.858 -3.368 1.00 0.00 H new ATOM 0 HA SER A 54 6.947 -10.081 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.190 -12.607 -5.146 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.629 -11.642 -5.411 1.00 0.00 H new ATOM 0 HG SER A 54 8.035 -13.465 -4.038 1.00 0.00 H new ATOM 865 N MET A 55 6.157 -9.055 -5.821 1.00 0.00 N ATOM 866 CA MET A 55 5.560 -8.283 -6.915 1.00 0.00 C ATOM 867 C MET A 55 5.095 -9.187 -8.054 1.00 0.00 C ATOM 868 O MET A 55 4.163 -8.871 -8.773 1.00 0.00 O ATOM 869 CB MET A 55 6.539 -7.235 -7.440 1.00 0.00 C ATOM 870 CG MET A 55 6.499 -5.948 -6.651 1.00 0.00 C ATOM 871 SD MET A 55 4.901 -5.138 -6.776 1.00 0.00 S ATOM 872 CE MET A 55 5.044 -3.952 -5.466 1.00 0.00 C ATOM 0 H MET A 55 7.125 -8.810 -5.612 1.00 0.00 H new ATOM 0 HA MET A 55 4.685 -7.774 -6.511 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.550 -7.642 -7.411 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.311 -7.023 -8.484 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.720 -6.156 -5.604 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.277 -5.275 -7.013 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.052 -3.709 -5.085 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.649 -4.370 -4.662 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.519 -3.047 -5.845 1.00 0.00 H new ATOM 882 N ARG A 56 5.763 -10.319 -8.219 1.00 0.00 N ATOM 883 CA ARG A 56 5.391 -11.285 -9.249 1.00 0.00 C ATOM 884 C ARG A 56 4.288 -12.213 -8.744 1.00 0.00 C ATOM 885 O ARG A 56 3.665 -12.944 -9.508 1.00 0.00 O ATOM 886 CB ARG A 56 6.604 -12.112 -9.703 1.00 0.00 C ATOM 887 CG ARG A 56 7.332 -12.835 -8.577 1.00 0.00 C ATOM 888 CD ARG A 56 8.538 -12.050 -8.088 1.00 0.00 C ATOM 889 NE ARG A 56 9.573 -11.954 -9.114 1.00 0.00 N ATOM 890 CZ ARG A 56 10.846 -12.326 -8.946 1.00 0.00 C ATOM 891 NH1 ARG A 56 11.247 -12.844 -7.788 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.714 -12.191 -9.942 1.00 0.00 N ATOM 0 H ARG A 56 6.566 -10.594 -7.654 1.00 0.00 H new ATOM 0 HA ARG A 56 5.018 -10.724 -10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.273 -12.848 -10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.309 -11.452 -10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.645 -13.000 -7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.654 -13.817 -8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.225 -11.049 -7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.949 -12.530 -7.200 1.00 0.00 H new ATOM 0 HE ARG A 56 9.306 -11.576 -10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.582 -12.959 -7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.219 -13.126 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.409 -11.804 -10.835 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.685 -12.475 -9.814 1.00 0.00 H new ATOM 906 N GLN A 57 4.063 -12.190 -7.444 1.00 0.00 N ATOM 907 CA GLN A 57 3.069 -13.043 -6.822 1.00 0.00 C ATOM 908 C GLN A 57 1.716 -12.360 -6.735 1.00 0.00 C ATOM 909 O GLN A 57 0.695 -13.014 -6.570 1.00 0.00 O ATOM 910 CB GLN A 57 3.530 -13.482 -5.426 1.00 0.00 C ATOM 911 CG GLN A 57 4.191 -14.854 -5.396 1.00 0.00 C ATOM 912 CD GLN A 57 5.433 -14.937 -6.257 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.546 -14.721 -5.788 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.250 -15.224 -7.520 1.00 0.00 N ATOM 0 H GLN A 57 4.561 -11.583 -6.793 1.00 0.00 H new ATOM 0 HA GLN A 57 2.958 -13.925 -7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.231 -12.744 -5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.670 -13.489 -4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.453 -15.101 -4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.474 -15.603 -5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.309 -15.397 -7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.049 -15.275 -8.152 1.00 0.00 H new ATOM 923 N ILE A 58 1.697 -11.042 -6.844 1.00 0.00 N ATOM 924 CA ILE A 58 0.448 -10.295 -6.749 1.00 0.00 C ATOM 925 C ILE A 58 0.405 -9.170 -7.774 1.00 0.00 C ATOM 926 O ILE A 58 1.307 -9.022 -8.590 1.00 0.00 O ATOM 927 CB ILE A 58 0.245 -9.682 -5.334 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.253 -8.555 -5.082 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.357 -10.750 -4.257 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.161 -7.952 -3.698 1.00 0.00 C ATOM 0 H ILE A 58 2.526 -10.467 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.353 -11.008 -6.946 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.760 -9.261 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.261 -8.941 -5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.098 -7.769 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.211 -10.295 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.405 -11.513 -4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.345 -11.209 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.905 -7.162 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.165 -7.535 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.346 -8.724 -2.952 1.00 0.00 H new ATOM 942 N ARG A 59 -0.656 -8.382 -7.726 1.00 0.00 N ATOM 943 CA ARG A 59 -0.813 -7.236 -8.594 1.00 0.00 C ATOM 944 C ARG A 59 -1.770 -6.233 -7.987 1.00 0.00 C ATOM 945 O ARG A 59 -2.850 -6.593 -7.515 1.00 0.00 O ATOM 946 CB ARG A 59 -1.286 -7.647 -9.991 1.00 0.00 C ATOM 947 CG ARG A 59 -0.181 -7.651 -11.037 1.00 0.00 C ATOM 948 CD ARG A 59 0.398 -6.258 -11.228 1.00 0.00 C ATOM 949 NE ARG A 59 1.453 -6.233 -12.241 1.00 0.00 N ATOM 950 CZ ARG A 59 2.004 -5.119 -12.738 1.00 0.00 C ATOM 951 NH1 ARG A 59 1.564 -3.922 -12.360 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.992 -5.207 -13.617 1.00 0.00 N ATOM 0 H ARG A 59 -1.433 -8.523 -7.080 1.00 0.00 H new ATOM 0 HA ARG A 59 0.166 -6.768 -8.698 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.726 -8.643 -9.937 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.075 -6.967 -10.312 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.609 -8.338 -10.733 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.575 -8.017 -11.985 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.398 -5.572 -11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.798 -5.899 -10.280 1.00 0.00 H new ATOM 0 HE ARG A 59 1.793 -7.128 -12.594 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.801 -3.848 -11.687 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.989 -3.078 -12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.331 -6.122 -13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.413 -4.359 -13.997 1.00 0.00 H new ATOM 966 N PHE A 60 -1.358 -4.974 -7.975 1.00 0.00 N ATOM 967 CA PHE A 60 -2.178 -3.896 -7.450 1.00 0.00 C ATOM 968 C PHE A 60 -3.045 -3.331 -8.561 1.00 0.00 C ATOM 969 O PHE A 60 -2.624 -3.261 -9.724 1.00 0.00 O ATOM 970 CB PHE A 60 -1.305 -2.782 -6.843 1.00 0.00 C ATOM 971 CG PHE A 60 -0.426 -3.237 -5.708 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.699 -4.004 -5.957 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.721 -2.896 -4.388 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.510 -4.422 -4.930 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.093 -3.316 -3.359 1.00 0.00 C ATOM 976 CZ PHE A 60 1.206 -4.080 -3.632 1.00 0.00 C ATOM 0 H PHE A 60 -0.449 -4.673 -8.328 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.812 -4.296 -6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.677 -2.360 -7.627 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.953 -1.981 -6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.943 -4.278 -6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.594 -2.298 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.385 -5.018 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.141 -3.047 -2.340 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.842 -4.412 -2.825 1.00 0.00 H new ATOM 986 N ARG A 61 -4.236 -2.918 -8.217 1.00 0.00 N ATOM 987 CA ARG A 61 -5.175 -2.423 -9.191 1.00 0.00 C ATOM 988 C ARG A 61 -6.106 -1.394 -8.563 1.00 0.00 C ATOM 989 O ARG A 61 -6.457 -1.487 -7.385 1.00 0.00 O ATOM 990 CB ARG A 61 -5.952 -3.615 -9.775 1.00 0.00 C ATOM 991 CG ARG A 61 -6.977 -3.268 -10.831 1.00 0.00 C ATOM 992 CD ARG A 61 -8.321 -2.941 -10.216 1.00 0.00 C ATOM 993 NE ARG A 61 -8.963 -4.118 -9.649 1.00 0.00 N ATOM 994 CZ ARG A 61 -9.711 -4.989 -10.332 1.00 0.00 C ATOM 995 NH1 ARG A 61 -9.941 -4.813 -11.629 1.00 0.00 N ATOM 996 NH2 ARG A 61 -10.213 -6.044 -9.709 1.00 0.00 N ATOM 0 H ARG A 61 -4.583 -2.915 -7.258 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.645 -1.918 -9.999 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.237 -4.317 -10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.457 -4.132 -8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.626 -2.416 -11.414 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.086 -4.104 -11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.190 -2.189 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.970 -2.504 -10.975 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.831 -4.291 -8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.545 -4.007 -12.112 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.514 -5.484 -12.141 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.027 -6.186 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.785 -6.715 -10.222 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.491 -0.399 -9.343 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.383 0.641 -8.882 1.00 0.00 C ATOM 1012 C PHE A 62 -8.258 1.110 -10.026 1.00 0.00 C ATOM 1013 O PHE A 62 -7.831 1.122 -11.164 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.594 1.808 -8.304 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.456 2.867 -7.682 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.905 2.729 -6.384 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.820 3.997 -8.398 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.696 3.695 -5.808 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.615 4.967 -7.826 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.054 4.816 -6.531 1.00 0.00 C ATOM 0 H PHE A 62 -6.192 -0.293 -10.312 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.016 0.236 -8.093 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.899 1.430 -7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.995 2.258 -9.095 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.632 1.853 -5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.477 4.119 -9.415 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.037 3.577 -4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.893 5.843 -8.393 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.678 5.573 -6.080 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.485 1.499 -9.711 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.482 1.927 -10.717 1.00 0.00 C ATOM 1032 C ASP A 63 -10.686 0.842 -11.759 1.00 0.00 C ATOM 1033 O ASP A 63 -11.113 1.096 -12.880 1.00 0.00 O ATOM 1034 CB ASP A 63 -10.019 3.207 -11.406 1.00 0.00 C ATOM 1035 CG ASP A 63 -11.148 3.944 -12.110 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -12.229 4.110 -11.501 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.953 4.374 -13.271 1.00 0.00 O ATOM 0 H ASP A 63 -9.831 1.531 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.426 2.112 -10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.566 3.868 -10.667 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.244 2.962 -12.132 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.388 -0.374 -11.381 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.521 -1.478 -12.277 1.00 0.00 C ATOM 1044 C GLY A 64 -9.304 -1.651 -13.184 1.00 0.00 C ATOM 1045 O GLY A 64 -9.108 -2.713 -13.771 1.00 0.00 O ATOM 0 H GLY A 64 -10.050 -0.619 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.673 -2.391 -11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.410 -1.337 -12.892 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.470 -0.614 -13.276 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.265 -0.646 -14.109 1.00 0.00 C ATOM 1051 C GLN A 65 -6.031 -0.997 -13.262 1.00 0.00 C ATOM 1052 O GLN A 65 -5.967 -0.661 -12.078 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.064 0.708 -14.820 1.00 0.00 C ATOM 1054 CG GLN A 65 -7.013 1.897 -13.875 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.792 3.222 -14.577 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -7.181 3.407 -15.729 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.164 4.151 -13.882 1.00 0.00 N ATOM 0 H GLN A 65 -8.608 0.266 -12.779 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.392 -1.419 -14.867 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.138 0.672 -15.394 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.875 0.857 -15.533 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.946 1.944 -13.313 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.213 1.741 -13.151 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.858 3.955 -12.929 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.984 5.065 -14.298 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.045 -1.687 -13.851 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.828 -2.092 -13.137 1.00 0.00 C ATOM 1068 C PRO A 66 -2.942 -0.898 -12.774 1.00 0.00 C ATOM 1069 O PRO A 66 -2.802 0.048 -13.549 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.112 -3.005 -14.141 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.615 -2.569 -15.474 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.035 -2.126 -15.259 1.00 0.00 C ATOM 0 HA PRO A 66 -4.056 -2.576 -12.187 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.030 -2.898 -14.072 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.341 -4.054 -13.955 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.009 -1.755 -15.872 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.566 -3.385 -16.195 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.310 -1.316 -15.935 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.740 -2.939 -15.432 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.348 -0.939 -11.590 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.473 0.132 -11.139 1.00 0.00 C ATOM 1082 C ILE A 67 -0.037 -0.159 -11.559 1.00 0.00 C ATOM 1083 O ILE A 67 0.384 -1.321 -11.611 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.525 0.298 -9.596 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -2.965 0.490 -9.120 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.666 1.471 -9.150 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.087 0.641 -7.616 1.00 0.00 C ATOM 0 H ILE A 67 -2.457 -1.704 -10.924 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.819 1.057 -11.599 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.129 -0.613 -9.147 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.384 1.373 -9.602 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.563 -0.363 -9.442 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.718 1.568 -8.066 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.368 1.300 -9.450 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.032 2.387 -9.614 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.135 0.774 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.698 -0.252 -7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.516 1.511 -7.290 1.00 0.00 H new ATOM 1099 N ASN A 68 0.720 0.884 -11.855 1.00 0.00 N ATOM 1100 CA ASN A 68 2.105 0.732 -12.256 1.00 0.00 C ATOM 1101 C ASN A 68 2.981 1.390 -11.235 1.00 0.00 C ATOM 1102 O ASN A 68 2.516 2.191 -10.433 1.00 0.00 O ATOM 1103 CB ASN A 68 2.380 1.390 -13.612 1.00 0.00 C ATOM 1104 CG ASN A 68 1.178 1.474 -14.506 1.00 0.00 C ATOM 1105 OD1 ASN A 68 0.872 0.546 -15.253 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.506 2.603 -14.457 1.00 0.00 N ATOM 0 H ASN A 68 0.394 1.850 -11.824 1.00 0.00 H new ATOM 0 HA ASN A 68 2.314 -0.335 -12.336 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.766 2.395 -13.444 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.162 0.829 -14.124 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.309 2.738 -15.056 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.799 3.344 -13.820 1.00 0.00 H new ATOM 1113 N GLU A 69 4.257 1.089 -11.268 1.00 0.00 N ATOM 1114 CA GLU A 69 5.187 1.713 -10.355 1.00 0.00 C ATOM 1115 C GLU A 69 5.475 3.143 -10.805 1.00 0.00 C ATOM 1116 O GLU A 69 5.965 3.975 -10.041 1.00 0.00 O ATOM 1117 CB GLU A 69 6.494 0.913 -10.288 1.00 0.00 C ATOM 1118 CG GLU A 69 7.180 0.748 -11.636 1.00 0.00 C ATOM 1119 CD GLU A 69 8.557 0.141 -11.528 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.657 -1.090 -11.353 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.553 0.895 -11.617 1.00 0.00 O ATOM 0 H GLU A 69 4.675 0.419 -11.914 1.00 0.00 H new ATOM 0 HA GLU A 69 4.740 1.732 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.179 1.409 -9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.285 -0.073 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.562 0.120 -12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.255 1.722 -12.120 1.00 0.00 H new ATOM 1128 N THR A 70 5.165 3.418 -12.061 1.00 0.00 N ATOM 1129 CA THR A 70 5.431 4.698 -12.662 1.00 0.00 C ATOM 1130 C THR A 70 4.248 5.654 -12.560 1.00 0.00 C ATOM 1131 O THR A 70 4.317 6.787 -13.040 1.00 0.00 O ATOM 1132 CB THR A 70 5.795 4.505 -14.138 1.00 0.00 C ATOM 1133 OG1 THR A 70 4.809 3.665 -14.757 1.00 0.00 O ATOM 1134 CG2 THR A 70 7.159 3.851 -14.270 1.00 0.00 C ATOM 0 H THR A 70 4.719 2.750 -12.690 1.00 0.00 H new ATOM 0 HA THR A 70 6.261 5.143 -12.113 1.00 0.00 H new ATOM 0 HB THR A 70 5.824 5.480 -14.625 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.034 3.538 -15.702 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.400 3.722 -15.325 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.913 4.483 -13.800 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.145 2.878 -13.780 1.00 0.00 H new ATOM 1142 N ASP A 71 3.168 5.230 -11.927 1.00 0.00 N ATOM 1143 CA ASP A 71 1.984 6.073 -11.839 1.00 0.00 C ATOM 1144 C ASP A 71 1.883 6.742 -10.461 1.00 0.00 C ATOM 1145 O ASP A 71 2.508 6.299 -9.493 1.00 0.00 O ATOM 1146 CB ASP A 71 0.737 5.243 -12.125 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.458 6.096 -12.485 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -0.429 6.733 -13.564 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -1.420 6.131 -11.708 1.00 0.00 O ATOM 0 H ASP A 71 3.084 4.321 -11.472 1.00 0.00 H new ATOM 0 HA ASP A 71 2.065 6.863 -12.586 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.945 4.551 -12.942 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.498 4.640 -11.249 1.00 0.00 H new ATOM 1154 N THR A 72 1.122 7.825 -10.378 1.00 0.00 N ATOM 1155 CA THR A 72 0.930 8.532 -9.118 1.00 0.00 C ATOM 1156 C THR A 72 -0.514 8.464 -8.641 1.00 0.00 C ATOM 1157 O THR A 72 -1.430 8.386 -9.442 1.00 0.00 O ATOM 1158 CB THR A 72 1.373 10.009 -9.208 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.169 10.523 -10.535 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.826 10.165 -8.799 1.00 0.00 C ATOM 0 H THR A 72 0.626 8.234 -11.170 1.00 0.00 H new ATOM 0 HA THR A 72 1.563 8.023 -8.391 1.00 0.00 H new ATOM 0 HB THR A 72 0.759 10.585 -8.516 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.454 11.460 -10.570 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.114 11.214 -8.871 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.954 9.823 -7.772 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.456 9.570 -9.460 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.732 8.522 -7.311 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.077 8.448 -6.715 1.00 0.00 C ATOM 1170 C PRO A 73 -2.992 9.564 -7.219 1.00 0.00 C ATOM 1171 O PRO A 73 -4.212 9.402 -7.322 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.812 8.617 -5.207 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.445 9.205 -5.118 1.00 0.00 C ATOM 1174 CD PRO A 73 0.309 8.671 -6.288 1.00 0.00 C ATOM 0 HA PRO A 73 -2.585 7.518 -6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.553 9.271 -4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.864 7.660 -4.688 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.486 10.294 -5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.039 8.927 -4.182 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.095 9.355 -6.608 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.789 7.720 -6.059 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.398 10.694 -7.553 1.00 0.00 N ATOM 1183 CA ALA A 74 -3.146 11.836 -8.036 1.00 0.00 C ATOM 1184 C ALA A 74 -3.658 11.601 -9.452 1.00 0.00 C ATOM 1185 O ALA A 74 -4.575 12.270 -9.908 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.284 13.082 -7.985 1.00 0.00 C ATOM 0 H ALA A 74 -1.391 10.845 -7.497 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.011 11.976 -7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.856 13.935 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.973 13.267 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.403 12.941 -8.611 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.075 10.632 -10.141 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.455 10.320 -11.512 1.00 0.00 C ATOM 1194 C GLN A 75 -4.847 9.736 -11.552 1.00 0.00 C ATOM 1195 O GLN A 75 -5.658 10.064 -12.412 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.490 9.295 -12.092 1.00 0.00 C ATOM 1197 CG GLN A 75 -2.546 9.171 -13.602 1.00 0.00 C ATOM 1198 CD GLN A 75 -2.188 10.462 -14.320 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -2.705 10.746 -15.398 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -1.277 11.232 -13.750 1.00 0.00 N ATOM 0 H GLN A 75 -2.330 10.043 -9.770 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.425 11.241 -12.094 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.475 9.562 -11.798 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.704 8.321 -11.651 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.864 8.383 -13.921 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.549 8.863 -13.898 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.870 10.963 -12.854 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.981 12.095 -14.206 1.00 0.00 H new ATOM 1209 N LEU A 76 -5.119 8.875 -10.605 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.361 8.145 -10.570 1.00 0.00 C ATOM 1211 C LEU A 76 -7.458 8.925 -9.854 1.00 0.00 C ATOM 1212 O LEU A 76 -8.573 8.428 -9.691 1.00 0.00 O ATOM 1213 CB LEU A 76 -6.133 6.791 -9.907 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.800 6.112 -10.260 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.785 6.323 -9.157 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.995 4.634 -10.530 1.00 0.00 C ATOM 0 H LEU A 76 -4.485 8.660 -9.835 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.701 7.993 -11.595 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.183 6.920 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.949 6.124 -10.187 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.420 6.573 -11.172 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.848 5.835 -9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.612 7.391 -9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.163 5.896 -8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.036 4.180 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.406 4.153 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.684 4.504 -11.365 1.00 0.00 H new ATOM 1228 N GLU A 77 -7.138 10.159 -9.431 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.108 11.033 -8.744 1.00 0.00 C ATOM 1230 C GLU A 77 -8.676 10.352 -7.504 1.00 0.00 C ATOM 1231 O GLU A 77 -9.829 10.570 -7.122 1.00 0.00 O ATOM 1232 CB GLU A 77 -9.239 11.418 -9.702 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.804 12.329 -10.827 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.574 13.747 -10.362 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -7.479 14.043 -9.853 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.494 14.577 -10.500 1.00 0.00 O ATOM 0 H GLU A 77 -6.215 10.576 -9.552 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.588 11.936 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.667 10.510 -10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.031 11.908 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.887 11.942 -11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.563 12.324 -11.609 1.00 0.00 H new ATOM 1243 N MET A 78 -7.859 9.548 -6.862 1.00 0.00 N ATOM 1244 CA MET A 78 -8.280 8.796 -5.692 1.00 0.00 C ATOM 1245 C MET A 78 -8.317 9.686 -4.450 1.00 0.00 C ATOM 1246 O MET A 78 -7.646 10.724 -4.388 1.00 0.00 O ATOM 1247 CB MET A 78 -7.359 7.593 -5.485 1.00 0.00 C ATOM 1248 CG MET A 78 -5.954 7.951 -5.054 1.00 0.00 C ATOM 1249 SD MET A 78 -4.730 6.720 -5.562 1.00 0.00 S ATOM 1250 CE MET A 78 -5.522 5.205 -5.052 1.00 0.00 C ATOM 0 H MET A 78 -6.887 9.394 -7.131 1.00 0.00 H new ATOM 0 HA MET A 78 -9.293 8.430 -5.859 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.801 6.937 -4.735 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.308 7.025 -6.414 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.685 8.920 -5.476 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.927 8.057 -3.969 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.771 4.510 -4.677 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.244 5.419 -4.264 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.036 4.759 -5.903 1.00 0.00 H new ATOM 1260 N GLU A 79 -9.102 9.288 -3.470 1.00 0.00 N ATOM 1261 CA GLU A 79 -9.274 10.059 -2.246 1.00 0.00 C ATOM 1262 C GLU A 79 -8.555 9.381 -1.091 1.00 0.00 C ATOM 1263 O GLU A 79 -8.182 8.214 -1.187 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.766 10.162 -1.917 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.405 8.819 -1.588 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.912 8.885 -1.489 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.582 8.898 -2.543 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.441 8.903 -0.362 1.00 0.00 O ATOM 0 H GLU A 79 -9.640 8.422 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.854 11.054 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.899 10.836 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.288 10.607 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.129 8.095 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.001 8.453 -0.644 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.313 10.111 -0.011 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.745 9.516 1.186 1.00 0.00 C ATOM 1277 C ASP A 80 -8.630 8.396 1.715 1.00 0.00 C ATOM 1278 O ASP A 80 -9.856 8.502 1.720 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.515 10.577 2.273 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.741 11.435 2.535 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.001 12.358 1.739 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.439 11.199 3.539 1.00 0.00 O ATOM 0 H ASP A 80 -8.501 11.111 0.059 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.780 9.088 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.220 10.083 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.686 11.219 1.976 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.980 7.317 2.136 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.619 6.116 2.661 1.00 0.00 C ATOM 1289 C GLU A 81 -9.189 5.276 1.531 1.00 0.00 C ATOM 1290 O GLU A 81 -10.061 4.431 1.741 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.693 6.431 3.715 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.151 7.121 4.956 1.00 0.00 C ATOM 1293 CD GLU A 81 -10.178 7.208 6.057 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -11.011 8.130 6.026 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.163 6.344 6.963 1.00 0.00 O ATOM 0 H GLU A 81 -6.962 7.252 2.121 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.847 5.538 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.457 7.064 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.182 5.503 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.278 6.578 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.816 8.125 4.694 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.695 5.511 0.320 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.131 4.738 -0.841 1.00 0.00 C ATOM 1304 C ASP A 82 -8.600 3.317 -0.753 1.00 0.00 C ATOM 1305 O ASP A 82 -7.551 3.075 -0.150 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.675 5.389 -2.143 1.00 0.00 C ATOM 1307 CG ASP A 82 -9.796 5.478 -3.150 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.487 4.456 -3.370 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -10.006 6.570 -3.719 1.00 0.00 O ATOM 0 H ASP A 82 -7.997 6.226 0.116 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.221 4.714 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.294 6.389 -1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.851 4.815 -2.567 1.00 0.00 H new ATOM 1314 N THR A 83 -9.306 2.375 -1.347 1.00 0.00 N ATOM 1315 CA THR A 83 -8.923 0.976 -1.253 1.00 0.00 C ATOM 1316 C THR A 83 -8.329 0.435 -2.562 1.00 0.00 C ATOM 1317 O THR A 83 -8.966 0.464 -3.622 1.00 0.00 O ATOM 1318 CB THR A 83 -10.122 0.108 -0.830 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.702 0.643 0.371 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.691 -1.331 -0.582 1.00 0.00 C ATOM 0 H THR A 83 -10.146 2.550 -1.899 1.00 0.00 H new ATOM 0 HA THR A 83 -8.145 0.921 -0.491 1.00 0.00 H new ATOM 0 HB THR A 83 -10.855 0.118 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.466 0.091 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.556 -1.924 -0.284 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.264 -1.745 -1.495 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.944 -1.355 0.211 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.099 -0.050 -2.474 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.402 -0.663 -3.591 1.00 0.00 C ATOM 1330 C ILE A 84 -6.785 -2.132 -3.675 1.00 0.00 C ATOM 1331 O ILE A 84 -6.914 -2.803 -2.651 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.865 -0.565 -3.401 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.438 0.887 -3.151 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.132 -1.146 -4.610 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.533 1.772 -4.357 1.00 0.00 C ATOM 0 H ILE A 84 -6.552 -0.028 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.684 -0.138 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.593 -1.153 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.058 1.305 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.410 0.894 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.056 -1.067 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.405 -2.194 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.412 -0.592 -5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.213 2.780 -4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.891 1.382 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.564 1.798 -4.709 1.00 0.00 H new ATOM 1347 N ASP A 85 -6.965 -2.639 -4.876 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.344 -4.030 -5.060 1.00 0.00 C ATOM 1349 C ASP A 85 -6.150 -4.866 -5.475 1.00 0.00 C ATOM 1350 O ASP A 85 -5.563 -4.644 -6.528 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.442 -4.148 -6.114 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.019 -5.541 -6.196 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.476 -6.055 -5.161 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -9.050 -6.112 -7.298 1.00 0.00 O ATOM 0 H ASP A 85 -6.856 -2.111 -5.742 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.719 -4.403 -4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.239 -3.441 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.039 -3.868 -7.087 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.767 -5.807 -4.641 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.672 -6.701 -4.964 1.00 0.00 C ATOM 1361 C VAL A 86 -5.189 -8.097 -5.226 1.00 0.00 C ATOM 1362 O VAL A 86 -6.077 -8.587 -4.524 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.614 -6.744 -3.837 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.558 -7.806 -4.109 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -2.960 -5.400 -3.697 1.00 0.00 C ATOM 0 H VAL A 86 -6.197 -5.975 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.194 -6.314 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.122 -7.001 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.829 -7.811 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.034 -8.784 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.053 -7.585 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.216 -5.438 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.474 -5.132 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.714 -4.652 -3.453 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.646 -8.733 -6.236 1.00 0.00 N ATOM 1376 CA PHE A 87 -5.015 -10.086 -6.588 1.00 0.00 C ATOM 1377 C PHE A 87 -3.765 -10.911 -6.843 1.00 0.00 C ATOM 1378 O PHE A 87 -2.729 -10.371 -7.259 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.957 -10.101 -7.797 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.584 -9.136 -8.888 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -6.050 -7.828 -8.866 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.782 -9.538 -9.942 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.721 -6.947 -9.868 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.453 -8.657 -10.954 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.923 -7.361 -10.916 1.00 0.00 C ATOM 0 H PHE A 87 -3.932 -8.326 -6.841 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.557 -10.533 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.979 -11.109 -8.212 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.968 -9.874 -7.458 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.679 -7.499 -8.052 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.409 -10.551 -9.974 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.086 -5.931 -9.836 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.829 -8.983 -11.773 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.667 -6.670 -11.706 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.831 -12.207 -6.556 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.677 -13.085 -6.689 1.00 0.00 C ATOM 1397 C GLN A 88 -2.377 -13.429 -8.154 1.00 0.00 C ATOM 1398 O GLN A 88 -3.259 -13.789 -8.927 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.893 -14.369 -5.881 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.600 -15.081 -5.504 1.00 0.00 C ATOM 1401 CD GLN A 88 -1.048 -14.644 -4.148 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -0.336 -15.392 -3.493 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -1.404 -13.450 -3.705 1.00 0.00 N ATOM 0 H GLN A 88 -4.677 -12.673 -6.228 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.814 -12.548 -6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.443 -14.127 -4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.517 -15.050 -6.459 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.776 -16.157 -5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.851 -14.892 -6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.999 -12.851 -4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.083 -13.128 -2.792 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.121 -13.289 -8.515 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.642 -13.604 -9.856 1.00 0.00 C ATOM 1414 C GLN A 89 0.156 -14.904 -9.881 1.00 0.00 C ATOM 1415 O GLN A 89 0.870 -15.192 -10.844 1.00 0.00 O ATOM 1416 CB GLN A 89 0.199 -12.454 -10.396 1.00 0.00 C ATOM 1417 CG GLN A 89 -0.599 -11.191 -10.645 1.00 0.00 C ATOM 1418 CD GLN A 89 -1.627 -11.357 -11.749 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -1.343 -11.105 -12.914 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -2.820 -11.797 -11.393 1.00 0.00 N ATOM 0 H GLN A 89 -0.392 -12.951 -7.886 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.513 -13.742 -10.496 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.999 -12.236 -9.689 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.672 -12.766 -11.327 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.104 -10.898 -9.725 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.082 -10.381 -10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.019 -11.996 -10.412 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.543 -11.938 -12.099 1.00 0.00 H new ATOM 1429 N GLN A 90 0.009 -15.711 -8.845 1.00 0.00 N ATOM 1430 CA GLN A 90 0.726 -16.964 -8.752 1.00 0.00 C ATOM 1431 C GLN A 90 -0.239 -18.086 -8.392 1.00 0.00 C ATOM 1432 O GLN A 90 -0.974 -17.988 -7.418 1.00 0.00 O ATOM 1433 CB GLN A 90 1.830 -16.855 -7.703 1.00 0.00 C ATOM 1434 CG GLN A 90 2.866 -17.962 -7.775 1.00 0.00 C ATOM 1435 CD GLN A 90 3.698 -17.910 -9.052 1.00 0.00 C ATOM 1436 OE1 GLN A 90 3.223 -17.495 -10.107 1.00 0.00 O ATOM 1437 NE2 GLN A 90 4.945 -18.317 -8.959 1.00 0.00 N ATOM 0 H GLN A 90 -0.605 -15.517 -8.054 1.00 0.00 H new ATOM 0 HA GLN A 90 1.182 -17.189 -9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.332 -15.894 -7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.376 -16.861 -6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.528 -17.890 -6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.364 -18.928 -7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.306 -18.655 -8.067 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.551 -18.294 -9.779 1.00 0.00 H new ATOM 1446 N THR A 91 -0.259 -19.138 -9.190 1.00 0.00 N ATOM 1447 CA THR A 91 -1.162 -20.252 -8.952 1.00 0.00 C ATOM 1448 C THR A 91 -0.605 -21.231 -7.922 1.00 0.00 C ATOM 1449 O THR A 91 -1.305 -21.632 -6.989 1.00 0.00 O ATOM 1450 CB THR A 91 -1.466 -20.999 -10.259 1.00 0.00 C ATOM 1451 OG1 THR A 91 -0.254 -21.168 -11.010 1.00 0.00 O ATOM 1452 CG2 THR A 91 -2.485 -20.237 -11.096 1.00 0.00 C ATOM 0 H THR A 91 0.339 -19.246 -10.009 1.00 0.00 H new ATOM 0 HA THR A 91 -2.084 -19.829 -8.554 1.00 0.00 H new ATOM 0 HB THR A 91 -1.885 -21.974 -10.010 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.449 -21.646 -11.843 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.684 -20.786 -12.016 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.411 -20.128 -10.531 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.091 -19.251 -11.340 1.00 0.00 H new ATOM 1460 N GLY A 92 0.652 -21.613 -8.086 1.00 0.00 N ATOM 1461 CA GLY A 92 1.271 -22.555 -7.172 1.00 0.00 C ATOM 1462 C GLY A 92 1.429 -21.987 -5.780 1.00 0.00 C ATOM 1463 O GLY A 92 0.886 -22.522 -4.811 1.00 0.00 O ATOM 0 H GLY A 92 1.258 -21.287 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.668 -23.462 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.249 -22.842 -7.558 1.00 0.00 H new ATOM 1467 N GLY A 93 2.176 -20.903 -5.676 1.00 0.00 N ATOM 1468 CA GLY A 93 2.386 -20.261 -4.400 1.00 0.00 C ATOM 1469 C GLY A 93 1.195 -19.433 -3.979 1.00 0.00 C ATOM 1470 O GLY A 93 0.994 -19.243 -2.758 1.00 0.00 O ATOM 1471 OXT GLY A 93 0.446 -18.981 -4.861 1.00 0.00 O ATOM 0 H GLY A 93 2.645 -20.452 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.587 -21.018 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.269 -19.624 -4.456 1.00 0.00 H new TER 1475 GLY A 93